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 3jdw_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 0.000 174.952 174.990 -0.063 0.000 1.270 64 C CA 0.000 58.999 59.018 -0.032 0.000 1.963 64 C CB 0.000 27.727 27.740 -0.021 0.000 2.134 65 P HA -0.086 nan 4.420 nan 0.000 0.220 65 P C -1.371 175.752 177.300 -0.296 0.000 1.148 65 P CA 0.767 63.779 63.100 -0.145 0.000 0.803 65 P CB 0.455 32.100 31.700 -0.091 0.000 0.782 66 V N -2.246 117.482 119.914 -0.310 0.000 2.394 66 V HA 0.363 nan 4.120 nan 0.000 0.282 66 V C -0.611 175.347 176.094 -0.227 0.000 1.031 66 V CA -0.849 61.250 62.300 -0.335 0.000 0.881 66 V CB -0.107 31.525 31.823 -0.319 0.000 0.982 66 V HN -0.410 7.614 8.190 -0.221 0.034 0.451 67 S N 7.705 123.257 115.700 -0.246 0.000 2.240 67 S HA 0.133 nan 4.470 nan 0.000 0.234 67 S C -2.436 171.969 174.600 -0.325 0.000 0.850 67 S CA 1.061 59.091 58.200 -0.282 0.000 1.015 67 S CB 1.409 64.513 63.200 -0.160 0.000 1.268 67 S HN 0.842 8.999 8.310 -0.255 0.000 0.384 68 S N 6.766 122.188 115.700 -0.464 0.000 2.649 68 S HA 0.369 nan 4.470 nan 0.000 0.274 68 S C -1.327 173.020 174.600 -0.422 0.000 1.176 68 S CA -0.104 57.890 58.200 -0.343 0.000 0.988 68 S CB 1.724 64.797 63.200 -0.212 0.000 1.071 68 S HN -0.052 7.930 8.310 -0.547 0.000 0.478 69 Y N 5.052 125.321 120.300 -0.053 0.000 2.442 69 Y HA 0.127 nan 4.550 nan 0.000 0.250 69 Y C -1.326 174.534 175.900 -0.067 0.000 1.113 69 Y CA -0.201 57.903 58.100 0.006 0.000 1.273 69 Y CB 1.136 39.641 38.460 0.075 0.000 1.138 69 Y HN 0.569 8.837 8.280 -0.020 0.000 0.522 70 N N -3.992 114.623 118.700 -0.142 0.000 3.364 70 N HA 0.125 nan 4.740 nan 0.000 0.294 70 N C -0.683 174.560 175.510 -0.446 0.000 1.562 70 N CA -0.722 52.051 53.050 -0.462 0.000 0.862 70 N CB 1.149 38.874 38.487 -1.270 0.000 1.691 70 N HN -0.886 7.398 8.380 -0.159 0.000 0.572 71 E N -3.057 116.853 120.200 -0.484 0.000 2.463 71 E HA 0.084 nan 4.350 nan 0.000 0.193 71 E C -0.682 175.961 176.600 0.072 0.000 1.041 71 E CA 0.842 57.221 56.400 -0.034 0.000 0.879 71 E CB -0.172 29.673 29.700 0.242 0.000 0.997 71 E HN 0.192 8.096 8.360 -0.759 0.000 0.478 72 W N -5.409 115.901 121.300 0.016 0.000 2.520 72 W HA 0.230 nan 4.660 nan 0.000 0.272 72 W C -1.413 175.102 176.519 -0.005 0.000 0.984 72 W CA -1.165 56.169 57.345 -0.018 0.000 1.314 72 W CB 0.582 29.997 29.460 -0.076 0.000 0.945 72 W HN -0.535 7.216 8.180 -1.066 -0.211 0.596 73 D N 2.265 122.552 120.400 -0.187 0.000 2.390 73 D HA 0.090 nan 4.640 nan 0.000 0.236 73 D C -1.517 174.798 176.300 0.024 0.000 1.189 73 D CA 0.450 54.444 54.000 -0.009 0.000 0.887 73 D CB -0.150 40.622 40.800 -0.046 0.000 1.198 73 D HN -0.361 7.995 8.370 -0.551 -0.317 0.444 74 P HA -0.164 nan 4.420 nan 0.000 0.255 74 P C -1.375 175.930 177.300 0.009 0.000 1.173 74 P CA 0.687 63.804 63.100 0.029 0.000 0.780 74 P CB -0.183 31.536 31.700 0.032 0.000 0.758 75 L N 5.856 127.081 121.223 0.005 0.000 2.455 75 L HA -0.162 nan 4.340 nan 0.000 0.272 75 L C -0.953 175.914 176.870 -0.004 0.000 1.174 75 L CA 1.329 56.166 54.840 -0.004 0.000 0.869 75 L CB 0.563 42.622 42.059 0.000 0.000 1.130 75 L HN 0.081 8.317 8.230 0.010 0.000 0.474 76 E N 3.532 123.726 120.200 -0.011 0.000 2.444 76 E HA 0.201 nan 4.350 nan 0.000 0.209 76 E C -0.604 175.995 176.600 -0.002 0.000 0.806 76 E CA 0.411 56.807 56.400 -0.006 0.000 1.240 76 E CB 3.189 32.883 29.700 -0.010 0.000 1.238 76 E HN 0.656 9.004 8.360 -0.020 0.000 0.591 77 E N -1.290 118.905 120.200 -0.009 0.000 2.343 77 E HA 0.644 nan 4.350 nan 0.000 0.278 77 E C -2.797 173.812 176.600 0.014 0.000 0.910 77 E CA -0.678 55.728 56.400 0.011 0.000 0.757 77 E CB 4.270 33.974 29.700 0.006 0.000 1.218 77 E HN -0.502 7.844 8.360 -0.023 0.000 0.435 78 V N 4.262 124.205 119.914 0.048 0.000 3.087 78 V HA 0.685 nan 4.120 nan 0.000 0.306 78 V C -2.282 173.870 176.094 0.096 0.000 1.187 78 V CA -1.674 60.659 62.300 0.055 0.000 0.999 78 V CB 4.500 36.352 31.823 0.047 0.000 1.049 78 V HN 0.710 8.938 8.190 0.063 0.000 0.431 79 I N 5.802 126.436 120.570 0.106 0.000 2.377 79 I HA 0.581 nan 4.170 nan 0.000 0.293 79 I C -1.473 174.731 176.117 0.144 0.000 0.987 79 I CA -0.914 60.472 61.300 0.144 0.000 1.185 79 I CB 2.007 40.114 38.000 0.178 0.000 1.341 79 I HN 0.284 8.541 8.210 0.077 0.000 0.455 80 V N 6.232 126.242 119.914 0.159 0.000 2.495 80 V HA 0.566 nan 4.120 nan 0.000 0.298 80 V C 0.380 176.612 176.094 0.231 0.000 1.031 80 V CA -2.123 60.294 62.300 0.194 0.000 0.871 80 V CB 1.776 33.697 31.823 0.162 0.000 0.988 80 V HN 0.454 8.732 8.190 0.146 0.000 0.432 81 G N 6.057 115.035 108.800 0.296 0.000 2.716 81 G HA2 0.165 nan 3.960 nan 0.000 0.251 81 G HA3 0.165 nan 3.960 nan 0.000 0.251 81 G C -1.757 173.339 174.900 0.327 0.000 1.224 81 G CA -0.013 45.229 45.100 0.237 0.000 0.891 81 G HN 0.760 9.251 8.290 0.335 0.000 0.561 82 R N -0.711 119.917 120.500 0.214 0.000 2.670 82 R HA 0.314 nan 4.340 nan 0.000 0.289 82 R C -0.842 175.612 176.300 0.256 0.000 0.965 82 R CA -1.392 54.856 56.100 0.247 0.000 0.899 82 R CB 2.894 33.296 30.300 0.169 0.000 1.173 82 R HN -0.079 8.132 8.270 0.075 0.104 0.456 83 A N 3.732 126.744 122.820 0.320 0.000 2.195 83 A HA 0.061 nan 4.320 nan 0.000 0.210 83 A C -0.062 177.680 177.584 0.263 0.000 1.165 83 A CA 0.788 53.006 52.037 0.302 0.000 0.806 83 A CB 0.323 19.516 19.000 0.323 0.000 0.847 83 A HN 0.501 8.820 8.150 0.281 0.000 0.482 84 E N 0.333 120.676 120.200 0.239 0.000 2.529 84 E HA -0.226 nan 4.350 nan 0.000 0.259 84 E C -0.530 176.284 176.600 0.356 0.000 0.966 84 E CA 1.328 57.866 56.400 0.230 0.000 0.937 84 E CB -0.453 29.347 29.700 0.166 0.000 0.923 84 E HN 0.004 8.450 8.360 0.216 0.043 0.468 85 N N -2.480 116.410 118.700 0.316 0.000 2.753 85 N HA -0.422 nan 4.740 nan 0.000 0.251 85 N C -1.042 174.949 175.510 0.801 0.000 1.097 85 N CA 0.948 54.309 53.050 0.518 0.000 0.786 85 N CB -1.462 37.313 38.487 0.481 0.000 1.137 85 N HN 0.289 8.779 8.380 0.183 0.000 0.566 86 A N -1.433 121.774 122.820 0.646 0.000 2.531 86 A HA -0.069 nan 4.320 nan 0.000 0.236 86 A C -0.722 177.253 177.584 0.652 0.000 1.062 86 A CA 0.932 53.350 52.037 0.635 0.000 0.760 86 A CB 0.717 20.084 19.000 0.611 0.000 0.995 86 A HN -0.637 7.779 8.150 0.514 0.043 0.501 87 C N 2.336 121.882 119.300 0.409 0.000 2.507 87 C HA 0.565 nan 4.460 nan 0.000 0.319 87 C C 0.075 174.932 174.990 -0.221 0.000 1.208 87 C CA -0.693 58.348 59.018 0.040 0.000 1.619 87 C CB 2.793 30.498 27.740 -0.058 0.000 2.230 87 C HN 0.178 8.505 8.230 0.345 0.110 0.492 88 V N 5.430 124.910 119.914 -0.724 0.000 2.529 88 V HA 0.154 nan 4.120 nan 0.000 0.292 88 V C -1.595 174.264 176.094 -0.392 0.000 1.028 88 V CA -1.452 60.275 62.300 -0.956 0.000 1.074 88 V CB 0.339 31.404 31.823 -1.263 0.000 0.958 88 V HN 1.013 8.796 8.190 -0.679 0.000 0.481 89 P HA 0.243 nan 4.420 nan 0.000 0.275 89 P C -1.943 175.319 177.300 -0.065 0.000 1.228 89 P CA -2.355 60.719 63.100 -0.043 0.000 0.786 89 P CB -0.613 31.139 31.700 0.087 0.000 0.927 90 P HA -0.035 nan 4.420 nan 0.000 0.266 90 P C 0.133 177.420 177.300 -0.023 0.000 1.195 90 P CA 0.197 63.248 63.100 -0.083 0.000 0.768 90 P CB 0.480 32.111 31.700 -0.114 0.000 0.838 91 F N 4.783 124.609 119.950 -0.207 0.000 2.678 91 F HA 0.036 nan 4.527 nan 0.000 0.358 91 F C -0.886 174.721 175.800 -0.321 0.000 1.256 91 F CA -1.646 56.188 58.000 -0.277 0.000 1.278 91 F CB -1.330 37.529 39.000 -0.234 0.000 1.681 91 F HN 0.326 8.691 8.300 0.110 0.000 0.661 92 T N -0.797 113.543 114.554 -0.357 0.000 2.862 92 T HA 0.276 nan 4.350 nan 0.000 0.276 92 T C 0.740 175.083 174.700 -0.596 0.000 0.974 92 T CA -2.909 58.922 62.100 -0.449 0.000 0.966 92 T CB 2.601 71.200 68.868 -0.449 0.000 1.072 92 T HN -0.398 7.595 8.240 -0.327 0.051 0.538 93 I N 1.122 121.385 120.570 -0.512 0.000 2.113 93 I HA -0.536 nan 4.170 nan 0.000 0.242 93 I C 0.588 176.417 176.117 -0.480 0.000 1.057 93 I CA 3.359 64.393 61.300 -0.443 0.000 1.314 93 I CB 0.059 37.882 38.000 -0.294 0.000 1.022 93 I HN 0.556 8.500 8.210 -0.443 0.000 0.408 94 E N -1.858 117.979 120.200 -0.605 0.000 2.150 94 E HA -0.311 nan 4.350 nan 0.000 0.193 94 E C 1.438 177.617 176.600 -0.701 0.000 0.985 94 E CA 2.622 58.691 56.400 -0.553 0.000 0.814 94 E CB -1.198 28.165 29.700 -0.563 0.000 0.752 94 E HN 0.132 8.046 8.360 -0.742 0.000 0.466 95 V N 1.389 120.748 119.914 -0.925 0.000 2.323 95 V HA -0.315 nan 4.120 nan 0.000 0.244 95 V C 2.426 178.184 176.094 -0.560 0.000 1.041 95 V CA 3.479 65.234 62.300 -0.909 0.000 1.025 95 V CB -0.617 30.781 31.823 -0.708 0.000 0.656 95 V HN -0.428 7.131 8.190 -0.871 0.109 0.451 96 K N -0.285 119.643 120.400 -0.786 0.000 2.152 96 K HA -0.335 nan 4.320 nan 0.000 0.206 96 K C 2.535 178.971 176.600 -0.273 0.000 1.048 96 K CA 3.287 59.021 56.287 -0.922 0.000 0.933 96 K CB -0.383 31.398 32.500 -1.199 0.000 0.721 96 K HN 0.132 7.861 8.250 -0.868 0.000 0.447 97 A N -2.252 120.472 122.820 -0.159 0.000 2.070 97 A HA -0.162 nan 4.320 nan 0.000 0.220 97 A C 0.746 178.423 177.584 0.155 0.000 1.159 97 A CA 2.547 54.628 52.037 0.074 0.000 0.656 97 A CB -0.444 18.560 19.000 0.006 0.000 0.800 97 A HN -0.120 7.838 8.150 -0.293 0.016 0.453 98 N N -6.227 112.550 118.700 0.128 0.000 2.282 98 N HA 0.054 nan 4.740 nan 0.000 0.185 98 N C -0.984 174.726 175.510 0.333 0.000 1.099 98 N CA 0.197 53.406 53.050 0.265 0.000 0.878 98 N CB 1.530 40.264 38.487 0.410 0.000 0.993 98 N HN -0.157 8.047 8.380 -0.006 0.172 0.481 99 T N 4.530 119.241 114.554 0.261 0.000 2.771 99 T HA 0.182 nan 4.350 nan 0.000 0.291 99 T C -0.288 174.890 174.700 0.797 0.000 0.954 99 T CA 0.189 62.532 62.100 0.405 0.000 1.045 99 T CB 0.472 69.332 68.868 -0.013 0.000 0.917 99 T HN -0.950 7.239 8.240 0.118 0.122 0.484 100 Y N 5.583 126.226 120.300 0.573 0.000 2.511 100 Y HA -0.167 nan 4.550 nan 0.000 0.332 100 Y C 1.161 177.382 175.900 0.535 0.000 1.177 100 Y CA -0.831 57.562 58.100 0.489 0.000 1.422 100 Y CB 0.008 38.720 38.460 0.420 0.000 1.271 100 Y HN 0.477 9.405 8.280 1.081 0.000 0.550 101 E N 5.672 126.030 120.200 0.264 0.000 2.169 101 E HA -0.499 nan 4.350 nan 0.000 0.202 101 E C 2.412 179.060 176.600 0.080 0.000 1.016 101 E CA 4.285 60.560 56.400 -0.209 0.000 0.817 101 E CB -0.299 29.225 29.700 -0.293 0.000 0.736 101 E HN 0.618 9.065 8.360 0.146 0.000 0.462 102 K N -1.774 118.680 120.400 0.090 0.000 2.160 102 K HA -0.265 nan 4.320 nan 0.000 0.206 102 K C 1.149 177.703 176.600 -0.078 0.000 1.047 102 K CA 2.417 58.641 56.287 -0.104 0.000 0.930 102 K CB -0.312 31.979 32.500 -0.348 0.000 0.720 102 K HN 0.066 8.374 8.250 0.135 0.023 0.450 103 Y N -6.129 114.478 120.300 0.511 0.000 2.458 103 Y HA 0.159 nan 4.550 nan 0.000 0.256 103 Y C 0.569 176.859 175.900 0.651 0.000 1.159 103 Y CA -0.793 57.658 58.100 0.585 0.000 1.261 103 Y CB -0.384 38.496 38.460 0.699 0.000 1.119 103 Y HN -0.134 8.321 8.280 0.526 0.141 0.524 104 W N 0.449 121.977 121.300 0.379 0.000 2.321 104 W HA -0.185 nan 4.660 nan 0.000 0.306 104 W C -0.974 175.618 176.519 0.122 0.000 1.217 104 W CA 5.407 62.911 57.345 0.266 0.000 1.257 104 W CB -2.998 26.667 29.460 0.342 0.000 1.145 104 W HN -0.247 8.325 8.180 0.932 0.167 0.509 105 P HA -0.248 nan 4.420 nan 0.000 0.217 105 P C 1.257 178.644 177.300 0.144 0.000 1.150 105 P CA 3.271 66.507 63.100 0.226 0.000 0.832 105 P CB -0.294 31.535 31.700 0.216 0.000 0.787 106 F N -0.774 119.228 119.950 0.088 0.000 2.095 106 F HA -0.340 nan 4.527 nan 0.000 0.298 106 F C 1.285 176.913 175.800 -0.287 0.000 1.104 106 F CA 3.463 61.429 58.000 -0.057 0.000 1.232 106 F CB -0.080 38.959 39.000 0.065 0.000 0.987 106 F HN -0.935 7.658 8.300 0.489 0.000 0.475 107 Y N -2.192 117.854 120.300 -0.424 0.000 2.242 107 Y HA -0.496 nan 4.550 nan 0.000 0.291 107 Y C 2.633 178.058 175.900 -0.791 0.000 1.137 107 Y CA 4.372 61.962 58.100 -0.848 0.000 1.181 107 Y CB -0.287 37.341 38.460 -1.386 0.000 0.989 107 Y HN -0.262 8.165 8.280 0.244 0.000 0.527 108 Q N -1.227 118.307 119.800 -0.443 0.000 2.224 108 Q HA -0.295 nan 4.340 nan 0.000 0.203 108 Q C 1.646 177.547 176.000 -0.165 0.000 0.970 108 Q CA 2.906 58.597 55.803 -0.186 0.000 0.865 108 Q CB -0.107 28.642 28.738 0.018 0.000 0.922 108 Q HN 0.192 8.071 8.270 -0.356 0.177 0.445 109 K N -2.337 117.918 120.400 -0.242 0.000 2.313 109 K HA 0.028 nan 4.320 nan 0.000 0.197 109 K C 1.209 177.564 176.600 -0.409 0.000 1.061 109 K CA 1.448 57.583 56.287 -0.253 0.000 0.980 109 K CB 0.603 32.986 32.500 -0.196 0.000 0.888 109 K HN -0.397 7.564 8.250 -0.274 0.125 0.502 110 Q N -2.847 116.579 119.800 -0.622 0.000 2.408 110 Q HA 0.104 nan 4.340 nan 0.000 0.205 110 Q C 0.750 176.469 176.000 -0.469 0.000 0.919 110 Q CA -0.657 54.689 55.803 -0.762 0.000 0.932 110 Q CB 0.876 28.791 28.738 -1.373 0.000 1.058 110 Q HN 0.201 7.952 8.270 -0.690 0.105 0.517 111 G N -1.468 107.091 108.800 -0.400 0.000 2.178 111 G HA2 -0.355 nan 3.960 nan 0.000 0.244 111 G HA3 -0.355 nan 3.960 nan 0.000 0.244 111 G C 0.090 174.892 174.900 -0.162 0.000 1.213 111 G CA 1.334 46.269 45.100 -0.274 0.000 0.912 111 G HN -0.480 7.552 8.290 -0.430 0.000 0.474 112 G N 5.666 114.315 108.800 -0.252 0.000 2.195 112 G HA2 -0.383 nan 3.960 nan 0.000 0.246 112 G HA3 -0.383 nan 3.960 nan 0.000 0.246 112 G C -0.729 173.875 174.900 -0.493 0.000 0.984 112 G CA 0.329 45.227 45.100 -0.337 0.000 0.633 112 G HN 0.684 8.694 8.290 -0.285 0.108 0.525 113 H N -0.516 118.321 119.070 -0.388 0.000 2.676 113 H HA 0.305 nan 4.556 nan 0.000 0.352 113 H C -1.096 173.989 175.328 -0.404 0.000 1.193 113 H CA -1.461 54.361 56.048 -0.377 0.000 1.243 113 H CB 1.645 31.237 29.762 -0.283 0.000 1.751 113 H HN -0.059 8.064 8.280 -0.156 0.064 0.567 114 Y N -2.777 117.525 120.300 0.004 0.000 2.480 114 Y HA -0.107 nan 4.550 nan 0.000 0.338 114 Y C 0.186 176.053 175.900 -0.055 0.000 1.220 114 Y CA 1.122 59.236 58.100 0.023 0.000 1.430 114 Y CB 0.311 38.830 38.460 0.097 0.000 1.311 114 Y HN 0.086 8.375 8.280 0.015 0.000 0.575 115 F N 4.458 124.487 119.950 0.132 0.000 2.490 115 F HA -0.042 nan 4.527 nan 0.000 0.336 115 F C -1.059 174.781 175.800 0.066 0.000 1.178 115 F CA 0.015 57.995 58.000 -0.034 0.000 1.301 115 F CB -0.168 38.801 39.000 -0.052 0.000 1.175 115 F HN -0.100 8.517 8.300 0.527 0.000 0.593 116 P HA -0.046 nan 4.420 nan 0.000 0.253 116 P C -0.139 177.322 177.300 0.269 0.000 1.159 116 P CA 0.404 63.650 63.100 0.243 0.000 0.779 116 P CB -0.031 31.841 31.700 0.285 0.000 0.745 117 K N 4.957 125.472 120.400 0.192 0.000 2.152 117 K HA -0.430 nan 4.320 nan 0.000 0.206 117 K C 1.332 178.020 176.600 0.147 0.000 1.048 117 K CA 4.240 60.614 56.287 0.145 0.000 0.933 117 K CB -0.476 32.062 32.500 0.063 0.000 0.721 117 K HN 0.656 9.005 8.250 0.164 0.000 0.447 118 D N -3.885 116.608 120.400 0.155 0.000 2.144 118 D HA -0.266 nan 4.640 nan 0.000 0.199 118 D C 2.046 178.443 176.300 0.161 0.000 0.984 118 D CA 3.057 57.136 54.000 0.131 0.000 0.834 118 D CB -0.908 39.966 40.800 0.122 0.000 0.955 118 D HN 0.456 8.905 8.370 0.159 0.016 0.465 119 H N 1.472 120.633 119.070 0.151 0.000 2.363 119 H HA -0.096 nan 4.556 nan 0.000 0.301 119 H C 2.236 177.656 175.328 0.153 0.000 1.074 119 H CA 3.031 59.184 56.048 0.174 0.000 1.354 119 H CB 0.603 30.542 29.762 0.296 0.000 1.397 119 H HN -0.707 7.686 8.280 0.361 0.103 0.516 120 L N -1.201 120.216 121.223 0.323 0.000 2.131 120 L HA -0.438 nan 4.340 nan 0.000 0.210 120 L C 1.802 178.746 176.870 0.123 0.000 1.092 120 L CA 3.038 58.021 54.840 0.239 0.000 0.759 120 L CB -0.393 41.803 42.059 0.229 0.000 0.903 120 L HN 0.223 8.578 8.230 0.338 0.078 0.435 121 K N -0.744 119.708 120.400 0.088 0.000 2.097 121 K HA -0.348 nan 4.320 nan 0.000 0.206 121 K C 2.102 178.700 176.600 -0.003 0.000 1.049 121 K CA 3.943 60.252 56.287 0.037 0.000 0.933 121 K CB -0.264 32.254 32.500 0.030 0.000 0.717 121 K HN -0.086 8.216 8.250 0.113 0.016 0.442 122 K N -1.393 118.987 120.400 -0.034 0.000 2.057 122 K HA -0.254 nan 4.320 nan 0.000 0.206 122 K C 2.036 178.573 176.600 -0.107 0.000 1.050 122 K CA 2.905 59.137 56.287 -0.090 0.000 0.935 122 K CB -0.214 32.191 32.500 -0.158 0.000 0.715 122 K HN -0.776 7.374 8.250 -0.021 0.089 0.439 123 A N -0.148 122.620 122.820 -0.087 0.000 1.902 123 A HA -0.201 nan 4.320 nan 0.000 0.217 123 A C 2.163 179.673 177.584 -0.124 0.000 1.181 123 A CA 3.201 55.175 52.037 -0.104 0.000 0.623 123 A CB -0.754 18.261 19.000 0.024 0.000 0.818 123 A HN -0.319 7.798 8.150 -0.055 0.000 0.443 124 V N -0.967 118.924 119.914 -0.039 0.000 2.282 124 V HA -0.523 nan 4.120 nan 0.000 0.249 124 V C 2.003 178.060 176.094 -0.062 0.000 1.057 124 V CA 4.256 66.540 62.300 -0.028 0.000 1.032 124 V CB -1.256 30.575 31.823 0.013 0.000 0.645 124 V HN 0.066 8.259 8.190 0.003 0.000 0.447 125 A N -1.737 121.046 122.820 -0.063 0.000 1.858 125 A HA -0.394 nan 4.320 nan 0.000 0.216 125 A C 1.995 179.524 177.584 -0.091 0.000 1.190 125 A CA 3.462 55.460 52.037 -0.064 0.000 0.617 125 A CB -0.844 18.122 19.000 -0.057 0.000 0.827 125 A HN -0.331 7.786 8.150 -0.054 0.000 0.443 126 E N -1.039 119.084 120.200 -0.130 0.000 2.085 126 E HA -0.365 nan 4.350 nan 0.000 0.194 126 E C 2.666 179.154 176.600 -0.187 0.000 0.994 126 E CA 3.017 59.321 56.400 -0.159 0.000 0.801 126 E CB -0.120 29.453 29.700 -0.212 0.000 0.743 126 E HN -0.368 7.912 8.360 -0.133 0.000 0.453 127 I N -1.585 118.834 120.570 -0.251 0.000 2.546 127 I HA -0.302 nan 4.170 nan 0.000 0.255 127 I C 2.325 178.378 176.117 -0.107 0.000 1.163 127 I CA 2.042 63.192 61.300 -0.250 0.000 1.457 127 I CB -1.489 36.300 38.000 -0.352 0.000 1.092 127 I HN 0.152 8.207 8.210 -0.258 0.000 0.434 128 E N 0.186 120.340 120.200 -0.077 0.000 2.072 128 E HA -0.319 nan 4.350 nan 0.000 0.191 128 E C 2.626 179.206 176.600 -0.035 0.000 0.985 128 E CA 3.028 59.405 56.400 -0.038 0.000 0.801 128 E CB -0.765 28.918 29.700 -0.029 0.000 0.750 128 E HN -0.270 7.943 8.360 -0.090 0.092 0.452 129 E N 0.427 120.599 120.200 -0.046 0.000 2.051 129 E HA -0.253 nan 4.350 nan 0.000 0.192 129 E C 2.168 178.751 176.600 -0.027 0.000 0.991 129 E CA 2.348 58.726 56.400 -0.036 0.000 0.799 129 E CB -0.512 29.163 29.700 -0.042 0.000 0.748 129 E HN -0.389 7.935 8.360 -0.061 0.000 0.449 130 M N -0.148 119.434 119.600 -0.029 0.000 2.106 130 M HA -0.406 nan 4.480 nan 0.000 0.259 130 M C 2.014 178.317 176.300 0.004 0.000 1.068 130 M CA 3.957 59.259 55.300 0.003 0.000 1.100 130 M CB -0.005 32.607 32.600 0.020 0.000 1.351 130 M HN -0.166 8.091 8.290 -0.054 0.000 0.404 131 C N -1.563 117.737 119.300 -0.000 0.000 2.440 131 C HA -0.407 nan 4.460 nan 0.000 0.278 131 C C 1.962 176.954 174.990 0.003 0.000 1.295 131 C CA 3.958 62.983 59.018 0.011 0.000 1.738 131 C CB -1.988 25.762 27.740 0.016 0.000 1.987 131 C HN 0.075 8.217 8.230 -0.015 0.079 0.492 132 N N 0.646 119.342 118.700 -0.006 0.000 2.120 132 N HA -0.346 nan 4.740 nan 0.000 0.188 132 N C 1.966 177.469 175.510 -0.013 0.000 1.024 132 N CA 3.500 56.545 53.050 -0.009 0.000 0.852 132 N CB -0.027 38.452 38.487 -0.014 0.000 1.003 132 N HN -0.271 8.013 8.380 -0.011 0.090 0.424 133 I N 0.547 121.106 120.570 -0.019 0.000 2.226 133 I HA -0.546 nan 4.170 nan 0.000 0.245 133 I C 1.489 177.590 176.117 -0.027 0.000 1.100 133 I CA 4.382 65.665 61.300 -0.029 0.000 1.374 133 I CB -0.145 37.829 38.000 -0.043 0.000 1.057 133 I HN 0.226 8.426 8.210 -0.018 0.000 0.413 134 L N -0.833 120.380 121.223 -0.017 0.000 2.046 134 L HA -0.520 nan 4.340 nan 0.000 0.208 134 L C 1.970 178.837 176.870 -0.005 0.000 1.077 134 L CA 3.632 58.467 54.840 -0.010 0.000 0.747 134 L CB -0.612 41.453 42.059 0.010 0.000 0.896 134 L HN -0.161 8.063 8.230 -0.010 0.000 0.432 135 K N -1.345 119.054 120.400 -0.001 0.000 2.097 135 K HA -0.310 nan 4.320 nan 0.000 0.205 135 K C 3.156 179.752 176.600 -0.005 0.000 1.050 135 K CA 3.724 60.011 56.287 0.001 0.000 0.938 135 K CB -0.369 32.133 32.500 0.003 0.000 0.718 135 K HN -0.097 8.152 8.250 -0.000 0.000 0.442 136 T N 2.519 117.066 114.554 -0.011 0.000 2.746 136 T HA -0.198 nan 4.350 nan 0.000 0.267 136 T C 1.531 176.221 174.700 -0.017 0.000 1.039 136 T CA 3.668 65.760 62.100 -0.014 0.000 1.142 136 T CB -0.435 68.421 68.868 -0.020 0.000 0.866 136 T HN -0.108 8.047 8.240 -0.012 0.078 0.444 137 E N -1.651 118.537 120.200 -0.021 0.000 2.512 137 E HA 0.050 nan 4.350 nan 0.000 0.195 137 E C 0.778 177.370 176.600 -0.014 0.000 1.083 137 E CA -0.514 55.872 56.400 -0.023 0.000 0.873 137 E CB -0.411 29.268 29.700 -0.035 0.000 0.897 137 E HN -0.136 8.111 8.360 -0.022 0.100 0.514 138 G N -1.671 107.124 108.800 -0.008 0.000 2.143 138 G HA2 -0.453 nan 3.960 nan 0.000 0.249 138 G HA3 -0.453 nan 3.960 nan 0.000 0.249 138 G C -0.726 174.175 174.900 0.002 0.000 0.981 138 G CA 0.555 45.654 45.100 -0.003 0.000 0.665 138 G HN -0.176 7.899 8.290 -0.008 0.210 0.528 139 V N 0.702 120.617 119.914 0.002 0.000 2.509 139 V HA 0.181 nan 4.120 nan 0.000 0.284 139 V C 0.126 176.231 176.094 0.018 0.000 1.047 139 V CA -0.600 61.705 62.300 0.009 0.000 0.952 139 V CB 0.342 32.170 31.823 0.008 0.000 0.988 139 V HN -0.315 7.831 8.190 -0.001 0.044 0.469 140 T N 9.276 123.844 114.554 0.025 0.000 2.794 140 T HA 0.162 nan 4.350 nan 0.000 0.296 140 T C -1.287 173.442 174.700 0.049 0.000 0.949 140 T CA 0.428 62.550 62.100 0.036 0.000 1.101 140 T CB 0.180 69.075 68.868 0.044 0.000 0.905 140 T HN 0.189 8.442 8.240 0.022 0.000 0.516 141 V N 5.120 125.063 119.914 0.049 0.000 2.513 141 V HA 0.603 nan 4.120 nan 0.000 0.299 141 V C -0.514 175.619 176.094 0.065 0.000 1.035 141 V CA -1.132 61.204 62.300 0.060 0.000 0.889 141 V CB 1.228 33.081 31.823 0.050 0.000 0.988 141 V HN 0.364 8.578 8.190 0.040 0.000 0.440 142 R N 5.104 125.654 120.500 0.083 0.000 2.740 142 R HA 0.435 nan 4.340 nan 0.000 0.282 142 R C -1.863 174.484 176.300 0.077 0.000 0.969 142 R CA -2.638 53.504 56.100 0.070 0.000 0.918 142 R CB 3.520 33.869 30.300 0.083 0.000 1.175 142 R HN 0.444 8.772 8.270 0.098 0.000 0.464 143 R N 1.456 121.987 120.500 0.051 0.000 2.750 143 R HA 0.524 nan 4.340 nan 0.000 0.281 143 R C -1.307 174.999 176.300 0.009 0.000 0.972 143 R CA -3.351 52.782 56.100 0.055 0.000 0.912 143 R CB -0.149 30.181 30.300 0.049 0.000 1.187 143 R HN 0.374 8.661 8.270 0.028 0.000 0.464 144 P HA 0.065 nan 4.420 nan 0.000 0.273 144 P C -1.009 176.232 177.300 -0.099 0.000 1.250 144 P CA -0.732 62.259 63.100 -0.181 0.000 0.793 144 P CB 0.768 32.153 31.700 -0.524 0.000 1.011 145 D N 0.558 120.894 120.400 -0.107 0.000 2.372 145 D HA 0.218 nan 4.640 nan 0.000 0.243 145 D C -1.550 174.729 176.300 -0.036 0.000 1.121 145 D CA -0.978 52.985 54.000 -0.061 0.000 0.898 145 D CB -0.656 40.103 40.800 -0.069 0.000 1.202 145 D HN -0.168 8.112 8.370 -0.150 0.000 0.428 146 P HA 0.088 nan 4.420 nan 0.000 0.279 146 P C -1.262 175.991 177.300 -0.079 0.000 1.239 146 P CA -0.046 63.054 63.100 0.001 0.000 0.789 146 P CB 0.686 32.387 31.700 0.001 0.000 0.933 147 I N 0.132 120.619 120.570 -0.138 0.000 2.827 147 I HA 0.061 nan 4.170 nan 0.000 0.298 147 I C -1.768 174.050 176.117 -0.499 0.000 1.235 147 I CA -1.724 59.328 61.300 -0.413 0.000 1.021 147 I CB 4.876 42.412 38.000 -0.773 0.000 1.259 147 I HN -0.461 7.740 8.210 -0.016 0.000 0.427 148 D N 4.147 124.306 120.400 -0.401 0.000 2.365 148 D HA 0.086 nan 4.640 nan 0.000 0.237 148 D C 0.220 176.321 176.300 -0.331 0.000 1.190 148 D CA -1.064 52.819 54.000 -0.196 0.000 0.867 148 D CB -0.367 40.402 40.800 -0.052 0.000 1.050 148 D HN 0.141 8.296 8.370 -0.357 0.000 0.491 149 W N 5.037 126.427 121.300 0.150 0.000 3.077 149 W HA -0.074 nan 4.660 nan 0.000 0.245 149 W C 0.347 176.871 176.519 0.008 0.000 1.316 149 W CA 0.590 58.000 57.345 0.109 0.000 1.537 149 W CB -0.561 28.991 29.460 0.154 0.000 1.131 149 W HN 0.082 8.320 8.180 0.097 0.000 0.695 150 S N -1.942 113.768 115.700 0.016 0.000 2.558 150 S HA -0.119 nan 4.470 nan 0.000 0.217 150 S C 0.525 175.069 174.600 -0.093 0.000 0.975 150 S CA 0.423 58.534 58.200 -0.148 0.000 0.912 150 S CB -0.025 62.951 63.200 -0.373 0.000 0.776 150 S HN -0.547 7.976 8.310 0.015 -0.205 0.526 151 L N 3.338 124.540 121.223 -0.035 0.000 2.499 151 L HA -0.110 nan 4.340 nan 0.000 0.273 151 L C -1.242 175.629 176.870 0.001 0.000 1.195 151 L CA 0.500 55.323 54.840 -0.028 0.000 0.882 151 L CB 0.867 42.907 42.059 -0.031 0.000 1.133 151 L HN -1.005 7.160 8.230 -0.029 0.048 0.483 152 K N 6.156 126.517 120.400 -0.066 0.000 2.258 152 K HA 0.207 nan 4.320 nan 0.000 0.284 152 K C -1.045 175.518 176.600 -0.061 0.000 1.051 152 K CA -0.506 55.695 56.287 -0.144 0.000 0.923 152 K CB 0.842 33.253 32.500 -0.149 0.000 1.046 152 K HN -0.043 8.163 8.250 -0.074 0.000 0.474 153 Y N 3.772 124.063 120.300 -0.016 0.000 2.621 153 Y HA 0.432 nan 4.550 nan 0.000 0.334 153 Y C -2.360 173.495 175.900 -0.075 0.000 1.074 153 Y CA -2.762 55.308 58.100 -0.050 0.000 1.149 153 Y CB 2.828 41.281 38.460 -0.012 0.000 1.302 153 Y HN 0.757 8.593 8.280 -0.739 0.000 0.501 154 K N 1.127 121.584 120.400 0.095 0.000 2.601 154 K HA 0.366 nan 4.320 nan 0.000 0.249 154 K C -1.324 175.179 176.600 -0.161 0.000 0.966 154 K CA -0.849 55.382 56.287 -0.094 0.000 0.827 154 K CB 2.231 34.679 32.500 -0.087 0.000 1.178 154 K HN 0.021 8.346 8.250 0.125 0.000 0.437 155 T N 2.123 116.420 114.554 -0.428 0.000 2.936 155 T HA 0.587 nan 4.350 nan 0.000 0.282 155 T C -0.309 174.221 174.700 -0.283 0.000 1.003 155 T CA -3.339 58.518 62.100 -0.405 0.000 1.005 155 T CB -0.371 68.050 68.868 -0.745 0.000 1.097 155 T HN 0.538 8.371 8.240 -0.678 0.000 0.532 156 P HA -0.048 nan 4.420 nan 0.000 0.231 156 P C -0.903 176.366 177.300 -0.052 0.000 1.158 156 P CA 1.846 64.899 63.100 -0.078 0.000 0.763 156 P CB 0.057 31.740 31.700 -0.028 0.000 0.805 157 D N -3.662 116.694 120.400 -0.073 0.000 2.392 157 D HA 0.142 nan 4.640 nan 0.000 0.206 157 D C -0.992 175.424 176.300 0.194 0.000 1.046 157 D CA 1.276 55.329 54.000 0.089 0.000 0.865 157 D CB 2.461 43.406 40.800 0.242 0.000 0.969 157 D HN -0.221 7.971 8.370 -0.191 0.064 0.509 158 F N -6.107 113.830 119.950 -0.021 0.000 2.978 158 F HA 0.318 nan 4.527 nan 0.000 0.324 158 F C -3.274 172.502 175.800 -0.040 0.000 1.157 158 F CA -1.048 56.935 58.000 -0.028 0.000 0.879 158 F CB 1.134 40.125 39.000 -0.015 0.000 1.364 158 F HN -0.887 7.168 8.300 -0.409 0.000 0.465 159 E N -1.021 119.245 120.200 0.110 0.000 2.340 159 E HA 0.705 nan 4.350 nan 0.000 0.273 159 E C -2.178 174.431 176.600 0.014 0.000 0.891 159 E CA -1.357 55.013 56.400 -0.050 0.000 0.757 159 E CB 3.167 32.824 29.700 -0.072 0.000 1.231 159 E HN -0.044 8.471 8.360 0.260 0.000 0.439 160 S N 1.760 117.303 115.700 -0.262 0.000 2.615 160 S HA 0.304 nan 4.470 nan 0.000 0.268 160 S C -2.513 171.697 174.600 -0.649 0.000 1.146 160 S CA -0.452 57.550 58.200 -0.331 0.000 0.818 160 S CB 2.571 65.713 63.200 -0.097 0.000 1.111 160 S HN 0.518 8.555 8.310 -0.454 0.000 0.465 161 T N -1.887 112.456 114.554 -0.351 0.000 2.952 161 T HA 0.831 nan 4.350 nan 0.000 0.286 161 T C -0.073 174.640 174.700 0.021 0.000 1.024 161 T CA -1.879 60.090 62.100 -0.218 0.000 1.029 161 T CB 1.773 70.544 68.868 -0.163 0.000 1.094 161 T HN -0.028 8.080 8.240 -0.220 0.000 0.515 162 G N -0.117 108.858 108.800 0.291 0.000 2.535 162 G HA2 0.549 nan 3.960 nan 0.000 0.282 162 G HA3 0.549 nan 3.960 nan 0.000 0.282 162 G C -2.200 172.858 174.900 0.264 0.000 1.350 162 G CA -0.520 44.883 45.100 0.504 0.000 1.039 162 G HN -0.056 8.400 8.290 0.276 0.000 0.509 163 L N -2.144 119.126 121.223 0.078 0.000 3.260 163 L HA 0.555 nan 4.340 nan 0.000 0.171 163 L C -1.593 174.980 176.870 -0.496 0.000 1.315 163 L CA -0.577 54.120 54.840 -0.237 0.000 0.886 163 L CB 3.112 44.915 42.059 -0.427 0.000 1.431 163 L HN -0.101 8.166 8.230 0.060 0.000 0.583 164 Y N -7.873 111.868 120.300 -0.931 0.000 2.925 164 Y HA 0.363 nan 4.550 nan 0.000 0.349 164 Y C -2.099 173.080 175.900 -1.202 0.000 1.342 164 Y CA -1.999 55.297 58.100 -1.340 0.000 1.093 164 Y CB 0.635 38.837 38.460 -0.430 0.000 1.571 164 Y HN -0.754 6.957 8.280 -0.949 0.000 0.438 165 S N -1.030 114.489 115.700 -0.302 0.000 2.668 165 S HA 0.219 nan 4.470 nan 0.000 0.244 165 S C 0.557 175.067 174.600 -0.150 0.000 1.140 165 S CA -1.321 56.832 58.200 -0.078 0.000 1.134 165 S CB 0.822 64.047 63.200 0.040 0.000 0.954 165 S HN 0.552 8.783 8.310 -0.131 0.000 0.490 166 A N 1.650 124.120 122.820 -0.583 0.000 1.970 166 A HA -0.012 nan 4.320 nan 0.000 0.216 166 A C -0.811 176.159 177.584 -1.024 0.000 1.170 166 A CA 2.432 53.838 52.037 -1.051 0.000 0.645 166 A CB 0.140 18.030 19.000 -1.850 0.000 0.816 166 A HN 0.074 7.742 8.150 -0.680 0.074 0.447 167 M N -4.327 114.871 119.600 -0.669 0.000 2.131 167 M HA 0.432 nan 4.480 nan 0.000 0.345 167 M C -1.963 174.219 176.300 -0.196 0.000 1.060 167 M CA -4.531 50.493 55.300 -0.461 0.000 1.011 167 M CB -1.213 31.150 32.600 -0.395 0.000 1.328 167 M HN -0.341 7.650 8.290 -0.498 0.000 0.396 168 P HA -0.182 nan 4.420 nan 0.000 0.218 168 P C 0.820 177.976 177.300 -0.239 0.000 1.149 168 P CA 2.414 65.412 63.100 -0.170 0.000 0.817 168 P CB -0.022 31.656 31.700 -0.037 0.000 0.785 169 R N -3.380 116.996 120.500 -0.207 0.000 2.152 169 R HA -0.269 nan 4.340 nan 0.000 0.232 169 R C 0.755 176.921 176.300 -0.225 0.000 1.117 169 R CA 2.461 58.432 56.100 -0.215 0.000 0.981 169 R CB -0.605 29.553 30.300 -0.237 0.000 0.870 169 R HN -0.670 7.463 8.270 -0.191 0.022 0.451 170 D N -2.935 117.311 120.400 -0.256 0.000 2.224 170 D HA -0.042 nan 4.640 nan 0.000 0.205 170 D C 0.991 177.188 176.300 -0.173 0.000 0.965 170 D CA 2.952 56.787 54.000 -0.276 0.000 0.852 170 D CB 0.704 41.379 40.800 -0.209 0.000 0.947 170 D HN -0.391 7.681 8.370 -0.239 0.155 0.494 171 I N -3.109 117.347 120.570 -0.191 0.000 4.244 171 I HA 0.203 nan 4.170 nan 0.000 0.318 171 I C -1.950 174.048 176.117 -0.199 0.000 1.282 171 I CA 0.285 61.472 61.300 -0.188 0.000 1.276 171 I CB 2.066 39.958 38.000 -0.181 0.000 1.183 171 I HN -0.745 7.292 8.210 -0.232 0.034 0.431 172 L N -1.581 119.500 121.223 -0.237 0.000 2.346 172 L HA 0.608 nan 4.340 nan 0.000 0.276 172 L C -1.774 175.029 176.870 -0.112 0.000 1.006 172 L CA -0.944 53.786 54.840 -0.184 0.000 0.817 172 L CB 2.409 44.314 42.059 -0.257 0.000 1.272 172 L HN -0.287 7.781 8.230 -0.271 0.000 0.421 173 I N 1.145 121.676 120.570 -0.066 0.000 2.619 173 I HA 0.341 nan 4.170 nan 0.000 0.292 173 I C -2.488 173.589 176.117 -0.066 0.000 1.100 173 I CA -1.856 59.413 61.300 -0.052 0.000 1.043 173 I CB 4.461 42.446 38.000 -0.025 0.000 1.239 173 I HN 0.240 8.418 8.210 -0.053 0.000 0.420 174 V N 7.702 127.564 119.914 -0.086 0.000 2.347 174 V HA 0.514 nan 4.120 nan 0.000 0.280 174 V C -1.419 174.582 176.094 -0.155 0.000 1.021 174 V CA -0.632 61.597 62.300 -0.118 0.000 0.847 174 V CB 0.633 32.370 31.823 -0.144 0.000 0.990 174 V HN 0.215 8.358 8.190 -0.078 0.000 0.444 175 V N 6.975 126.777 119.914 -0.186 0.000 2.325 175 V HA 0.533 nan 4.120 nan 0.000 0.280 175 V C 0.508 176.446 176.094 -0.261 0.000 1.016 175 V CA -1.729 60.399 62.300 -0.287 0.000 0.818 175 V CB -0.581 30.982 31.823 -0.434 0.000 1.019 175 V HN 0.372 8.474 8.190 -0.146 0.000 0.434 176 G N 8.285 116.880 108.800 -0.341 0.000 2.536 176 G HA2 -0.449 nan 3.960 nan 0.000 0.280 176 G HA3 -0.449 nan 3.960 nan 0.000 0.280 176 G C -0.662 174.045 174.900 -0.322 0.000 1.152 176 G CA 1.229 46.083 45.100 -0.411 0.000 0.970 176 G HN 0.239 8.286 8.290 -0.405 0.000 0.549 177 N N 5.255 123.876 118.700 -0.131 0.000 2.276 177 N HA 0.064 nan 4.740 nan 0.000 0.212 177 N C -1.811 173.676 175.510 -0.038 0.000 1.127 177 N CA -0.451 52.545 53.050 -0.089 0.000 0.834 177 N CB 0.543 39.017 38.487 -0.022 0.000 1.014 177 N HN 0.241 8.596 8.380 -0.041 0.000 0.491 178 E N -0.146 120.030 120.200 -0.041 0.000 2.199 178 E HA 0.534 nan 4.350 nan 0.000 0.265 178 E C -2.609 173.999 176.600 0.014 0.000 0.882 178 E CA -1.623 54.796 56.400 0.031 0.000 0.759 178 E CB 3.307 33.043 29.700 0.060 0.000 1.148 178 E HN -0.646 7.569 8.360 -0.092 0.090 0.412 179 I N 6.621 127.234 120.570 0.072 0.000 2.336 179 I HA 0.627 nan 4.170 nan 0.000 0.292 179 I C -2.270 173.924 176.117 0.127 0.000 0.991 179 I CA -1.119 60.212 61.300 0.051 0.000 1.227 179 I CB 2.167 40.180 38.000 0.022 0.000 1.366 179 I HN 0.612 8.902 8.210 0.134 0.000 0.466 180 I N 9.284 129.895 120.570 0.069 0.000 2.378 180 I HA 0.391 nan 4.170 nan 0.000 0.291 180 I C -1.570 174.560 176.117 0.022 0.000 0.992 180 I CA -1.060 60.286 61.300 0.078 0.000 1.154 180 I CB 1.683 39.725 38.000 0.070 0.000 1.315 180 I HN 0.764 8.985 8.210 0.017 0.000 0.448 181 E N 6.915 127.118 120.200 0.003 0.000 2.146 181 E HA 0.414 nan 4.350 nan 0.000 0.282 181 E C -1.018 175.453 176.600 -0.216 0.000 0.989 181 E CA -1.525 54.828 56.400 -0.080 0.000 0.799 181 E CB 1.135 30.810 29.700 -0.041 0.000 1.088 181 E HN 0.417 8.799 8.360 0.037 0.000 0.397 182 A N 5.773 128.439 122.820 -0.258 0.000 2.366 182 A HA 0.154 nan 4.320 nan 0.000 0.249 182 A C -1.666 175.539 177.584 -0.632 0.000 1.084 182 A CA -1.630 50.062 52.037 -0.576 0.000 0.794 182 A CB -0.820 17.946 19.000 -0.390 0.000 1.034 182 A HN 0.844 8.771 8.150 -0.179 0.116 0.491 183 P HA -0.040 nan 4.420 nan 0.000 0.224 183 P C -0.852 176.195 177.300 -0.422 0.000 1.157 183 P CA 0.904 63.628 63.100 -0.627 0.000 0.799 183 P CB 0.476 31.781 31.700 -0.659 0.000 0.809 184 M N -4.531 114.843 119.600 -0.377 0.000 7.319 184 M HA -0.421 nan 4.480 nan 0.000 0.149 184 M C -0.734 175.530 176.300 -0.059 0.000 0.480 184 M CA 0.800 56.000 55.300 -0.167 0.000 1.311 184 M CB -1.725 30.817 32.600 -0.097 0.000 0.421 184 M HN -0.071 7.891 8.290 -0.545 0.000 0.280 185 A N -1.833 121.036 122.820 0.081 0.000 2.530 185 A HA 0.308 nan 4.320 nan 0.000 0.214 185 A C -1.647 176.200 177.584 0.438 0.000 1.352 185 A CA 0.351 52.517 52.037 0.215 0.000 1.035 185 A CB 1.842 20.972 19.000 0.217 0.000 1.296 185 A HN 0.393 8.586 8.150 0.072 0.000 0.563 186 W N -2.151 119.182 121.300 0.055 0.000 2.417 186 W HA 0.400 nan 4.660 nan 0.000 0.317 186 W C 1.322 177.847 176.519 0.011 0.000 1.121 186 W CA -2.029 55.322 57.345 0.011 0.000 1.208 186 W CB 0.564 30.018 29.460 -0.010 0.000 1.253 186 W HN -0.597 7.800 8.180 0.361 0.000 0.533 187 R N 4.179 124.701 120.500 0.036 0.000 2.120 187 R HA -0.415 nan 4.340 nan 0.000 0.234 187 R C 1.518 177.987 176.300 0.282 0.000 1.123 187 R CA 4.113 60.149 56.100 -0.106 0.000 0.975 187 R CB -0.261 29.721 30.300 -0.530 0.000 0.866 187 R HN 0.231 8.707 8.270 -0.134 -0.286 0.446 188 S N -3.078 112.771 115.700 0.249 0.000 2.607 188 S HA -0.149 nan 4.470 nan 0.000 0.224 188 S C 0.304 175.146 174.600 0.403 0.000 0.969 188 S CA 1.902 60.302 58.200 0.335 0.000 0.927 188 S CB -0.797 62.516 63.200 0.189 0.000 0.772 188 S HN 0.264 8.654 8.310 0.149 0.009 0.533 189 R N -1.411 119.318 120.500 0.382 0.000 2.565 189 R HA 0.150 nan 4.340 nan 0.000 0.347 189 R C 1.136 177.581 176.300 0.241 0.000 1.010 189 R CA -0.755 55.495 56.100 0.249 0.000 1.126 189 R CB -0.020 30.356 30.300 0.126 0.000 1.331 189 R HN -0.350 7.955 8.270 0.393 0.202 0.552 190 F N 3.009 123.065 119.950 0.176 0.000 2.126 190 F HA -0.349 nan 4.527 nan 0.000 0.299 190 F C -0.272 175.375 175.800 -0.255 0.000 1.096 190 F CA 4.450 62.432 58.000 -0.031 0.000 1.255 190 F CB 0.521 39.528 39.000 0.011 0.000 0.997 190 F HN -0.680 7.914 8.300 0.593 0.061 0.479 191 F N -4.850 115.179 119.950 0.132 0.000 2.668 191 F HA 0.136 nan 4.527 nan 0.000 0.297 191 F C 0.786 176.491 175.800 -0.158 0.000 1.124 191 F CA -1.249 56.606 58.000 -0.241 0.000 1.353 191 F CB -0.625 38.151 39.000 -0.373 0.000 0.992 191 F HN -0.483 7.982 8.300 0.275 0.000 0.524 192 E N 2.214 122.522 120.200 0.180 0.000 2.204 192 E HA -0.347 nan 4.350 nan 0.000 0.194 192 E C 1.495 178.291 176.600 0.326 0.000 0.989 192 E CA 3.272 59.837 56.400 0.275 0.000 0.824 192 E CB -0.137 29.636 29.700 0.121 0.000 0.756 192 E HN -0.453 7.822 8.360 0.146 0.172 0.477 193 Y N -4.379 116.085 120.300 0.274 0.000 2.403 193 Y HA -0.260 nan 4.550 nan 0.000 0.291 193 Y C 1.797 177.886 175.900 0.316 0.000 1.143 193 Y CA 1.014 59.284 58.100 0.284 0.000 1.257 193 Y CB -1.084 37.453 38.460 0.128 0.000 0.984 193 Y HN -0.160 8.229 8.280 0.219 0.022 0.550 194 R N -0.126 120.322 120.500 -0.087 0.000 2.127 194 R HA -0.388 nan 4.340 nan 0.000 0.238 194 R C 2.174 178.514 176.300 0.067 0.000 1.134 194 R CA 2.808 58.905 56.100 -0.006 0.000 0.975 194 R CB -0.636 29.568 30.300 -0.160 0.000 0.865 194 R HN -0.439 7.535 8.270 -0.419 0.044 0.447 195 A N -1.401 121.482 122.820 0.105 0.000 2.066 195 A HA -0.084 nan 4.320 nan 0.000 0.218 195 A C 0.792 178.231 177.584 -0.242 0.000 1.157 195 A CA 2.331 54.320 52.037 -0.080 0.000 0.670 195 A CB -0.130 18.833 19.000 -0.061 0.000 0.804 195 A HN -0.478 7.797 8.150 0.249 0.024 0.453 196 Y N -5.367 115.000 120.300 0.113 0.000 2.458 196 Y HA 0.132 nan 4.550 nan 0.000 0.256 196 Y C 1.322 177.215 175.900 -0.013 0.000 1.159 196 Y CA 0.506 58.635 58.100 0.048 0.000 1.261 196 Y CB -0.039 38.454 38.460 0.054 0.000 1.119 196 Y HN -0.505 7.800 8.280 0.293 0.151 0.524 197 R N -0.089 120.500 120.500 0.147 0.000 2.120 197 R HA -0.332 nan 4.340 nan 0.000 0.234 197 R C 1.992 178.264 176.300 -0.047 0.000 1.123 197 R CA 3.152 59.286 56.100 0.057 0.000 0.975 197 R CB -0.942 29.456 30.300 0.164 0.000 0.866 197 R HN -0.578 7.797 8.270 0.175 0.000 0.446 198 S N -0.478 115.203 115.700 -0.031 0.000 2.356 198 S HA -0.249 nan 4.470 nan 0.000 0.223 198 S C 1.947 176.467 174.600 -0.133 0.000 1.032 198 S CA 3.736 61.901 58.200 -0.057 0.000 1.005 198 S CB -0.651 62.521 63.200 -0.046 0.000 0.867 198 S HN 0.160 8.465 8.310 -0.008 0.000 0.449 199 I N 1.609 122.080 120.570 -0.165 0.000 2.142 199 I HA -0.453 nan 4.170 nan 0.000 0.240 199 I C 1.446 177.255 176.117 -0.514 0.000 1.078 199 I CA 3.699 64.793 61.300 -0.344 0.000 1.343 199 I CB -0.015 37.852 38.000 -0.223 0.000 1.046 199 I HN -0.442 7.710 8.210 -0.096 0.000 0.405 200 I N -0.586 119.769 120.570 -0.357 0.000 2.208 200 I HA -0.654 nan 4.170 nan 0.000 0.245 200 I C 1.900 177.704 176.117 -0.521 0.000 1.097 200 I CA 4.510 65.532 61.300 -0.463 0.000 1.363 200 I CB -0.512 37.057 38.000 -0.717 0.000 1.051 200 I HN -0.204 7.869 8.210 -0.229 0.000 0.413 201 K N -1.413 118.721 120.400 -0.443 0.000 2.148 201 K HA -0.389 nan 4.320 nan 0.000 0.204 201 K C 1.929 178.529 176.600 0.001 0.000 1.050 201 K CA 3.861 60.004 56.287 -0.239 0.000 0.942 201 K CB -0.590 31.869 32.500 -0.068 0.000 0.724 201 K HN 0.026 8.054 8.250 -0.370 0.000 0.446 202 D N 0.017 120.395 120.400 -0.037 0.000 2.097 202 D HA -0.224 nan 4.640 nan 0.000 0.195 202 D C 2.293 178.648 176.300 0.093 0.000 0.989 202 D CA 3.169 57.192 54.000 0.038 0.000 0.827 202 D CB -0.287 40.426 40.800 -0.144 0.000 0.966 202 D HN -0.738 7.431 8.370 -0.167 0.101 0.456 203 Y N -1.659 118.648 120.300 0.012 0.000 2.181 203 Y HA -0.353 nan 4.550 nan 0.000 0.288 203 Y C 2.318 178.234 175.900 0.025 0.000 1.146 203 Y CA 1.656 59.757 58.100 0.001 0.000 1.164 203 Y CB -0.647 37.789 38.460 -0.040 0.000 0.982 203 Y HN -0.382 7.723 8.280 -0.292 0.000 0.515 204 F N 1.047 121.018 119.950 0.035 0.000 2.095 204 F HA -0.462 nan 4.527 nan 0.000 0.298 204 F C 2.449 178.262 175.800 0.023 0.000 1.104 204 F CA 3.723 61.732 58.000 0.015 0.000 1.232 204 F CB 0.039 39.023 39.000 -0.026 0.000 0.987 204 F HN 0.364 8.712 8.300 0.185 0.063 0.475 205 H N -1.334 117.781 119.070 0.075 0.000 2.422 205 H HA -0.206 nan 4.556 nan 0.000 0.298 205 H C 1.626 176.911 175.328 -0.071 0.000 1.098 205 H CA 3.237 59.272 56.048 -0.022 0.000 1.315 205 H CB -0.134 29.664 29.762 0.060 0.000 1.382 205 H HN 0.124 8.358 8.280 0.105 0.109 0.523 206 R N -3.917 116.640 120.500 0.095 0.000 2.356 206 R HA 0.082 nan 4.340 nan 0.000 0.234 206 R C 0.310 176.607 176.300 -0.006 0.000 0.929 206 R CA -0.323 55.812 56.100 0.057 0.000 1.084 206 R CB 0.265 30.631 30.300 0.110 0.000 1.105 206 R HN -0.566 7.647 8.270 0.138 0.140 0.515 207 G N -2.814 105.931 108.800 -0.091 0.000 2.179 207 G HA2 -0.276 nan 3.960 nan 0.000 0.220 207 G HA3 -0.276 nan 3.960 nan 0.000 0.220 207 G C -0.685 174.170 174.900 -0.074 0.000 0.990 207 G CA -0.357 44.678 45.100 -0.109 0.000 0.646 207 G HN -0.261 7.742 8.290 -0.166 0.187 0.517 208 A N 0.531 123.338 122.820 -0.022 0.000 2.322 208 A HA 0.097 nan 4.320 nan 0.000 0.269 208 A C -0.646 177.042 177.584 0.173 0.000 1.094 208 A CA -0.187 51.882 52.037 0.054 0.000 0.807 208 A CB 1.271 20.311 19.000 0.067 0.000 1.047 208 A HN -0.255 7.890 8.150 -0.008 0.000 0.487 209 K N 0.511 121.023 120.400 0.187 0.000 2.144 209 K HA 0.138 nan 4.320 nan 0.000 0.270 209 K C -1.383 175.462 176.600 0.409 0.000 1.005 209 K CA -0.346 56.116 56.287 0.291 0.000 0.932 209 K CB 1.555 34.167 32.500 0.187 0.000 1.021 209 K HN 0.251 8.569 8.250 0.112 0.000 0.462 210 W N 1.685 123.105 121.300 0.201 0.000 2.900 210 W HA 0.427 nan 4.660 nan 0.000 0.336 210 W C -1.497 175.038 176.519 0.027 0.000 1.064 210 W CA -1.807 55.593 57.345 0.092 0.000 1.237 210 W CB 1.758 31.239 29.460 0.035 0.000 1.391 210 W HN -0.031 8.450 8.180 0.502 0.000 0.468 211 T N 8.973 123.701 114.554 0.291 0.000 2.886 211 T HA 0.430 nan 4.350 nan 0.000 0.292 211 T C -1.712 172.972 174.700 -0.025 0.000 1.012 211 T CA -0.290 61.832 62.100 0.036 0.000 0.982 211 T CB 3.375 72.311 68.868 0.113 0.000 1.018 211 T HN 0.483 9.007 8.240 0.474 0.000 0.451 212 T N 0.628 115.058 114.554 -0.208 0.000 2.815 212 T HA 0.613 nan 4.350 nan 0.000 0.289 212 T C -0.368 174.099 174.700 -0.389 0.000 1.000 212 T CA -2.522 59.415 62.100 -0.271 0.000 0.958 212 T CB 0.958 69.612 68.868 -0.357 0.000 0.944 212 T HN 0.201 8.288 8.240 -0.254 0.000 0.442 213 A N 6.902 129.391 122.820 -0.552 0.000 2.406 213 A HA 0.233 nan 4.320 nan 0.000 0.243 213 A C -1.894 175.187 177.584 -0.839 0.000 1.082 213 A CA -1.272 50.111 52.037 -1.090 0.000 0.786 213 A CB -0.516 17.809 19.000 -1.125 0.000 1.029 213 A HN 0.136 8.016 8.150 -0.449 0.000 0.495 214 P HA -0.052 nan 4.420 nan 0.000 0.261 214 P C -1.473 175.557 177.300 -0.450 0.000 1.203 214 P CA 0.043 62.826 63.100 -0.528 0.000 0.767 214 P CB 0.480 31.920 31.700 -0.434 0.000 0.785 215 K N 6.006 126.180 120.400 -0.377 0.000 2.412 215 K HA 0.153 nan 4.320 nan 0.000 0.284 215 K C -1.657 174.838 176.600 -0.175 0.000 1.046 215 K CA -1.295 54.779 56.287 -0.355 0.000 0.999 215 K CB -0.305 31.952 32.500 -0.404 0.000 0.941 215 K HN 0.159 8.196 8.250 -0.355 0.000 0.474 216 P HA 0.144 nan 4.420 nan 0.000 0.273 216 P C -1.310 176.126 177.300 0.226 0.000 1.250 216 P CA -0.735 62.381 63.100 0.026 0.000 0.793 216 P CB 1.074 32.789 31.700 0.024 0.000 1.011 217 T N -4.613 110.078 114.554 0.229 0.000 3.009 217 T HA 0.054 nan 4.350 nan 0.000 0.258 217 T C 0.685 175.626 174.700 0.401 0.000 1.063 217 T CA 0.264 62.553 62.100 0.314 0.000 1.139 217 T CB 0.521 69.554 68.868 0.274 0.000 0.890 217 T HN 0.075 8.939 8.240 0.164 -0.526 0.471 218 M N -1.530 118.240 119.600 0.284 0.000 2.537 218 M HA -0.494 nan 4.480 nan 0.000 0.205 218 M C -1.250 175.177 176.300 0.211 0.000 0.450 218 M CA 0.619 56.026 55.300 0.179 0.000 0.553 218 M CB -1.779 30.867 32.600 0.077 0.000 2.046 218 M HN -0.290 8.429 8.290 0.241 -0.285 0.797 219 A N -2.009 120.937 122.820 0.210 0.000 2.313 219 A HA 0.063 nan 4.320 nan 0.000 0.261 219 A C 0.758 178.365 177.584 0.038 0.000 1.090 219 A CA -0.694 51.433 52.037 0.150 0.000 0.807 219 A CB 0.957 20.024 19.000 0.113 0.000 1.055 219 A HN -0.831 7.454 8.150 0.254 0.017 0.492 220 D N 1.120 121.540 120.400 0.035 0.000 2.191 220 D HA -0.453 nan 4.640 nan 0.000 0.195 220 D C 2.109 178.336 176.300 -0.122 0.000 1.003 220 D CA 3.944 57.962 54.000 0.031 0.000 0.867 220 D CB -0.506 40.289 40.800 -0.008 0.000 0.926 220 D HN 0.723 9.123 8.370 0.050 0.000 0.450 221 E N -0.758 119.217 120.200 -0.375 0.000 2.331 221 E HA -0.229 nan 4.350 nan 0.000 0.199 221 E C 1.772 178.057 176.600 -0.525 0.000 1.008 221 E CA 2.286 58.303 56.400 -0.639 0.000 0.843 221 E CB -0.706 28.143 29.700 -1.419 0.000 0.761 221 E HN 0.323 8.427 8.360 -0.374 0.031 0.507 222 L N -1.519 119.438 121.223 -0.443 0.000 2.418 222 L HA -0.100 nan 4.340 nan 0.000 0.218 222 L C -1.208 175.280 176.870 -0.637 0.000 1.125 222 L CA 0.750 55.326 54.840 -0.440 0.000 0.835 222 L CB 0.862 42.588 42.059 -0.555 0.000 0.953 222 L HN 0.142 7.961 8.230 -0.404 0.169 0.454 223 Y N -3.443 116.820 120.300 -0.062 0.000 2.377 223 Y HA 0.257 nan 4.550 nan 0.000 0.339 223 Y C -0.885 174.979 175.900 -0.061 0.000 1.011 223 Y CA -1.691 56.365 58.100 -0.073 0.000 1.093 223 Y CB 1.182 39.577 38.460 -0.110 0.000 1.201 223 Y HN -0.226 7.743 8.280 -0.255 0.159 0.455 224 N N 3.777 122.536 118.700 0.097 0.000 2.605 224 N HA -0.111 nan 4.740 nan 0.000 0.258 224 N C 0.703 176.271 175.510 0.096 0.000 1.156 224 N CA -0.078 53.023 53.050 0.084 0.000 1.008 224 N CB -0.062 38.490 38.487 0.108 0.000 1.354 224 N HN 0.567 8.889 8.380 0.092 0.113 0.509 225 Q N 3.053 122.893 119.800 0.067 0.000 2.197 225 Q HA -0.303 nan 4.340 nan 0.000 0.207 225 Q C -0.316 175.712 176.000 0.047 0.000 0.984 225 Q CA 2.650 58.477 55.803 0.040 0.000 0.869 225 Q CB -0.148 28.601 28.738 0.018 0.000 0.906 225 Q HN 0.037 8.328 8.270 0.054 0.011 0.426 226 D N -4.308 116.131 120.400 0.065 0.000 2.722 226 D HA -0.032 nan 4.640 nan 0.000 0.239 226 D C -0.483 175.859 176.300 0.070 0.000 1.249 226 D CA -1.674 52.359 54.000 0.056 0.000 0.830 226 D CB -1.382 39.443 40.800 0.040 0.000 1.025 226 D HN -0.422 7.965 8.370 0.069 0.025 0.486 227 Y N 1.995 122.264 120.300 -0.052 0.000 2.497 227 Y HA -0.060 nan 4.550 nan 0.000 0.334 227 Y C -0.742 175.057 175.900 -0.168 0.000 1.199 227 Y CA -1.543 56.514 58.100 -0.071 0.000 1.425 227 Y CB 1.582 40.016 38.460 -0.044 0.000 1.291 227 Y HN -0.590 7.730 8.280 0.197 0.078 0.562 228 P HA 0.202 nan 4.420 nan 0.000 0.225 228 P C -0.523 176.322 177.300 -0.758 0.000 1.768 228 P CA -0.698 61.966 63.100 -0.726 0.000 0.943 228 P CB -2.313 29.119 31.700 -0.448 0.000 1.936 229 I N -2.498 117.784 120.570 -0.479 0.000 2.099 229 I HA -0.486 nan 4.170 nan 0.000 0.239 229 I C 1.128 177.219 176.117 -0.043 0.000 1.066 229 I CA 3.402 64.653 61.300 -0.082 0.000 1.324 229 I CB -0.612 37.475 38.000 0.145 0.000 1.037 229 I HN -0.114 7.792 8.210 -0.362 0.087 0.401 230 H N -2.473 116.664 119.070 0.111 0.000 2.523 230 H HA -0.332 nan 4.556 nan 0.000 0.291 230 H C -0.135 175.107 175.328 -0.144 0.000 1.119 230 H CA 0.354 56.386 56.048 -0.027 0.000 1.146 230 H CB -0.878 28.868 29.762 -0.027 0.000 1.334 230 H HN 0.178 8.245 8.280 -0.354 0.000 0.537 231 S N -6.014 109.787 115.700 0.167 0.000 2.816 231 S HA -0.280 nan 4.470 nan 0.000 0.456 231 S C -1.255 173.426 174.600 0.136 0.000 0.727 231 S CA -0.079 58.160 58.200 0.065 0.000 1.434 231 S CB 0.570 63.757 63.200 -0.022 0.000 1.108 231 S HN -0.517 7.737 8.310 0.072 0.099 0.392 232 V N 4.555 124.491 119.914 0.036 0.000 3.304 232 V HA -0.027 nan 4.120 nan 0.000 0.254 232 V C -0.315 175.785 176.094 0.010 0.000 1.811 232 V CA 1.495 63.813 62.300 0.031 0.000 1.006 232 V CB 0.018 31.851 31.823 0.016 0.000 0.948 232 V HN 0.644 8.837 8.190 0.005 0.000 0.346 233 E N -2.388 117.813 120.200 0.002 0.000 3.904 233 E HA -0.420 nan 4.350 nan 0.000 0.316 233 E C 0.686 177.350 176.600 0.107 0.000 0.643 233 E CA 2.330 58.772 56.400 0.071 0.000 1.129 233 E CB -2.050 27.727 29.700 0.128 0.000 1.635 233 E HN 0.550 8.895 8.360 -0.024 0.000 0.424 234 D N -1.868 118.549 120.400 0.029 0.000 2.371 234 D HA -0.158 nan 4.640 nan 0.000 0.234 234 D C 1.002 177.284 176.300 -0.029 0.000 1.049 234 D CA 1.493 55.505 54.000 0.021 0.000 0.907 234 D CB -0.831 39.963 40.800 -0.010 0.000 0.891 234 D HN 0.286 8.558 8.370 0.002 0.100 0.531 235 R N -0.614 119.838 120.500 -0.080 0.000 2.120 235 R HA -0.315 nan 4.340 nan 0.000 0.234 235 R C 1.956 178.209 176.300 -0.077 0.000 1.123 235 R CA 3.148 59.155 56.100 -0.154 0.000 0.975 235 R CB -0.841 29.372 30.300 -0.145 0.000 0.866 235 R HN -0.026 8.094 8.270 -0.072 0.107 0.446 236 H N -0.460 118.593 119.070 -0.028 0.000 2.352 236 H HA -0.228 nan 4.556 nan 0.000 0.299 236 H C 1.787 177.101 175.328 -0.024 0.000 1.097 236 H CA 4.052 60.104 56.048 0.006 0.000 1.311 236 H CB -0.101 29.676 29.762 0.025 0.000 1.377 236 H HN 0.052 8.244 8.280 0.086 0.140 0.504 237 K N -0.138 120.318 120.400 0.094 0.000 2.025 237 K HA -0.236 nan 4.320 nan 0.000 0.207 237 K C 2.355 178.941 176.600 -0.024 0.000 1.049 237 K CA 2.900 59.202 56.287 0.024 0.000 0.933 237 K CB -0.353 32.151 32.500 0.007 0.000 0.714 237 K HN -0.346 7.798 8.250 0.099 0.165 0.438 238 L N -1.317 119.864 121.223 -0.070 0.000 2.093 238 L HA -0.292 nan 4.340 nan 0.000 0.208 238 L C 2.185 178.912 176.870 -0.238 0.000 1.085 238 L CA 2.648 57.417 54.840 -0.117 0.000 0.755 238 L CB -0.300 41.693 42.059 -0.110 0.000 0.904 238 L HN -0.298 7.890 8.230 -0.070 0.000 0.435 239 A N -1.098 121.543 122.820 -0.298 0.000 1.978 239 A HA -0.301 nan 4.320 nan 0.000 0.220 239 A C 2.216 179.769 177.584 -0.052 0.000 1.170 239 A CA 2.983 54.788 52.037 -0.387 0.000 0.636 239 A CB -1.194 17.743 19.000 -0.105 0.000 0.810 239 A HN 0.609 8.449 8.150 -0.193 0.194 0.448 240 A N -1.966 120.858 122.820 0.006 0.000 1.968 240 A HA -0.147 nan 4.320 nan 0.000 0.217 240 A C 1.250 178.851 177.584 0.028 0.000 1.169 240 A CA 2.245 54.303 52.037 0.035 0.000 0.638 240 A CB -0.393 18.616 19.000 0.016 0.000 0.812 240 A HN 0.090 8.010 8.150 -0.008 0.225 0.446 241 Q N -3.424 116.380 119.800 0.007 0.000 2.403 241 Q HA 0.035 nan 4.340 nan 0.000 0.203 241 Q C 0.060 176.126 176.000 0.110 0.000 0.932 241 Q CA -0.780 55.043 55.803 0.034 0.000 0.945 241 Q CB 0.480 29.226 28.738 0.013 0.000 1.045 241 Q HN -0.527 7.567 8.270 -0.032 0.157 0.511 242 G N -1.047 107.848 108.800 0.158 0.000 2.176 242 G HA2 -0.380 nan 3.960 nan 0.000 0.252 242 G HA3 -0.380 nan 3.960 nan 0.000 0.252 242 G C -1.082 174.042 174.900 0.373 0.000 1.024 242 G CA 0.469 45.827 45.100 0.431 0.000 0.755 242 G HN -0.455 7.685 8.290 0.086 0.202 0.507 243 K N -0.347 120.034 120.400 -0.033 0.000 2.307 243 K HA 0.464 nan 4.320 nan 0.000 0.263 243 K C -1.275 175.135 176.600 -0.316 0.000 0.973 243 K CA -1.075 55.208 56.287 -0.007 0.000 0.846 243 K CB 1.307 33.820 32.500 0.022 0.000 1.100 243 K HN -0.245 7.761 8.250 -0.191 0.130 0.438 244 F N 1.381 121.393 119.950 0.102 0.000 2.953 244 F HA 0.463 nan 4.527 nan 0.000 0.360 244 F C 0.137 175.738 175.800 -0.332 0.000 1.249 244 F CA -0.815 57.172 58.000 -0.022 0.000 1.063 244 F CB 1.739 40.698 39.000 -0.067 0.000 1.500 244 F HN -0.290 8.216 8.300 0.345 0.000 0.517 245 V N -0.913 118.689 119.914 -0.520 0.000 2.809 245 V HA -0.127 nan 4.120 nan 0.000 0.256 245 V C -0.788 175.257 176.094 -0.081 0.000 1.080 245 V CA 1.452 63.424 62.300 -0.546 0.000 1.102 245 V CB 0.355 31.838 31.823 -0.567 0.000 0.705 245 V HN 0.111 8.388 8.190 -0.391 -0.322 0.475 246 T N -3.637 110.917 114.554 0.001 0.000 2.799 246 T HA 0.446 nan 4.350 nan 0.000 0.286 246 T C -0.062 174.656 174.700 0.031 0.000 0.973 246 T CA -2.488 59.612 62.100 -0.000 0.000 1.035 246 T CB 1.057 69.925 68.868 0.000 0.000 0.932 246 T HN -0.342 7.890 8.240 0.020 0.020 0.469 247 T N 2.183 116.740 114.554 0.005 0.000 2.793 247 T HA 0.157 nan 4.350 nan 0.000 0.299 247 T C 0.220 174.981 174.700 0.101 0.000 1.038 247 T CA -0.982 61.159 62.100 0.069 0.000 0.948 247 T CB 0.799 69.700 68.868 0.056 0.000 1.231 247 T HN 0.744 8.819 8.240 -0.072 0.121 0.538 248 E N -0.796 119.490 120.200 0.144 0.000 2.496 248 E HA 0.220 nan 4.350 nan 0.000 0.202 248 E C -0.688 176.012 176.600 0.166 0.000 1.021 248 E CA -0.470 56.021 56.400 0.152 0.000 1.015 248 E CB -1.321 28.480 29.700 0.168 0.000 1.102 248 E HN 0.081 8.528 8.360 0.146 0.000 0.452 249 F N 1.581 121.531 119.950 -0.001 0.000 2.126 249 F HA -0.315 nan 4.527 nan 0.000 0.299 249 F C -0.677 175.123 175.800 -0.000 0.000 1.096 249 F CA 2.465 60.459 58.000 -0.009 0.000 1.255 249 F CB 1.127 40.099 39.000 -0.046 0.000 0.997 249 F HN -0.499 7.873 8.300 0.268 0.089 0.479 250 E N -4.467 115.662 120.200 -0.119 0.000 2.423 250 E HA 0.214 nan 4.350 nan 0.000 0.280 250 E C -2.794 173.774 176.600 -0.053 0.000 1.030 250 E CA -3.473 52.795 56.400 -0.219 0.000 0.812 250 E CB 1.158 30.654 29.700 -0.341 0.000 1.313 250 E HN -0.659 7.742 8.360 0.067 0.000 0.456 251 P HA 0.095 nan 4.420 nan 0.000 0.268 251 P C -1.303 175.998 177.300 0.003 0.000 1.205 251 P CA -0.053 63.066 63.100 0.032 0.000 0.771 251 P CB 0.220 31.927 31.700 0.013 0.000 0.858 252 C N 0.822 120.181 119.300 0.098 0.000 3.284 252 C HA 0.630 nan 4.460 nan 0.000 0.338 252 C C -2.414 172.717 174.990 0.235 0.000 1.237 252 C CA -1.780 57.258 59.018 0.034 0.000 1.276 252 C CB 3.199 30.942 27.740 0.005 0.000 1.601 252 C HN -0.116 8.413 8.230 0.185 -0.188 0.494 253 F N -3.717 116.240 119.950 0.011 0.000 2.793 253 F HA 0.360 nan 4.527 nan 0.000 0.316 253 F C -3.414 172.428 175.800 0.070 0.000 1.147 253 F CA -0.486 57.558 58.000 0.073 0.000 0.930 253 F CB 1.078 40.210 39.000 0.220 0.000 1.277 253 F HN -0.309 7.870 8.300 -0.202 0.000 0.443 254 D N 0.875 121.492 120.400 0.362 0.000 2.192 254 D HA 0.468 nan 4.640 nan 0.000 0.246 254 D C 0.549 177.105 176.300 0.427 0.000 1.042 254 D CA -1.708 52.421 54.000 0.215 0.000 0.847 254 D CB 2.133 43.055 40.800 0.204 0.000 1.186 254 D HN -0.137 8.482 8.370 0.415 0.000 0.461 255 A N 4.222 127.213 122.820 0.286 0.000 2.024 255 A HA -0.201 nan 4.320 nan 0.000 0.220 255 A C 1.084 178.866 177.584 0.330 0.000 1.164 255 A CA 3.261 55.522 52.037 0.374 0.000 0.643 255 A CB -0.070 19.010 19.000 0.133 0.000 0.806 255 A HN 0.603 8.729 8.150 0.092 0.079 0.451 256 A N -3.511 119.343 122.820 0.057 0.000 2.248 256 A HA -0.174 nan 4.320 nan 0.000 0.210 256 A C 0.711 178.364 177.584 0.115 0.000 1.174 256 A CA 1.860 53.875 52.037 -0.037 0.000 0.750 256 A CB -0.724 17.956 19.000 -0.534 0.000 0.780 256 A HN -0.152 7.924 8.150 -0.068 0.033 0.478 257 D N -2.413 118.079 120.400 0.154 0.000 2.339 257 D HA 0.156 nan 4.640 nan 0.000 0.217 257 D C -0.985 175.166 176.300 -0.248 0.000 1.050 257 D CA 1.405 55.379 54.000 -0.044 0.000 0.856 257 D CB 0.728 41.425 40.800 -0.171 0.000 0.922 257 D HN -0.438 8.007 8.370 0.270 0.087 0.518 258 F N -1.520 118.514 119.950 0.141 0.000 2.469 258 F HA 0.429 nan 4.527 nan 0.000 0.332 258 F C -0.709 175.222 175.800 0.219 0.000 1.103 258 F CA -0.815 57.280 58.000 0.158 0.000 0.979 258 F CB 2.836 41.883 39.000 0.079 0.000 1.137 258 F HN -0.517 7.858 8.300 0.403 0.166 0.463 259 I N 2.913 123.757 120.570 0.457 0.000 2.534 259 I HA 0.387 nan 4.170 nan 0.000 0.288 259 I C -2.229 174.182 176.117 0.490 0.000 1.077 259 I CA -1.567 59.998 61.300 0.441 0.000 1.051 259 I CB 4.602 42.858 38.000 0.427 0.000 1.234 259 I HN 0.659 9.162 8.210 0.489 0.000 0.425 260 R N 8.049 128.779 120.500 0.384 0.000 2.349 260 R HA 0.552 nan 4.340 nan 0.000 0.299 260 R C -1.499 175.047 176.300 0.409 0.000 1.027 260 R CA -1.085 55.226 56.100 0.352 0.000 0.958 260 R CB 1.056 31.474 30.300 0.196 0.000 1.047 260 R HN 0.318 9.096 8.270 0.328 -0.312 0.468 261 A N 3.215 126.363 122.820 0.546 0.000 3.253 261 A HA 0.368 nan 4.320 nan 0.000 0.290 261 A C -0.355 177.678 177.584 0.749 0.000 0.950 261 A CA -1.289 51.196 52.037 0.747 0.000 0.986 261 A CB 0.060 19.724 19.000 1.107 0.000 1.104 261 A HN 0.411 8.869 8.150 0.514 0.000 0.481 262 G N 3.734 112.858 108.800 0.540 0.000 2.543 262 G HA2 -0.460 nan 3.960 nan 0.000 0.286 262 G HA3 -0.460 nan 3.960 nan 0.000 0.286 262 G C 0.039 175.183 174.900 0.408 0.000 1.153 262 G CA 0.690 46.081 45.100 0.485 0.000 0.968 262 G HN 0.175 8.678 8.290 0.355 0.000 0.544 263 R N 2.682 123.305 120.500 0.204 0.000 2.339 263 R HA -0.072 nan 4.340 nan 0.000 0.199 263 R C -1.069 175.352 176.300 0.200 0.000 1.018 263 R CA 1.551 57.687 56.100 0.060 0.000 1.036 263 R CB 0.514 30.759 30.300 -0.092 0.000 0.899 263 R HN -0.141 8.208 8.270 0.133 0.000 0.473 264 D N -1.595 118.987 120.400 0.304 0.000 2.502 264 D HA 0.547 nan 4.640 nan 0.000 0.249 264 D C -1.948 174.421 176.300 0.115 0.000 1.092 264 D CA -0.107 54.021 54.000 0.212 0.000 0.839 264 D CB 3.056 43.981 40.800 0.209 0.000 1.264 264 D HN -0.755 7.775 8.370 0.391 0.074 0.511 265 I N 1.545 122.112 120.570 -0.005 0.000 2.474 265 I HA 0.675 nan 4.170 nan 0.000 0.294 265 I C -1.625 174.431 176.117 -0.102 0.000 1.005 265 I CA -0.960 60.388 61.300 0.080 0.000 1.113 265 I CB 3.351 41.454 38.000 0.171 0.000 1.289 265 I HN 0.583 8.785 8.210 -0.013 0.000 0.436 266 F N 5.588 125.796 119.950 0.429 0.000 2.469 266 F HA 0.791 nan 4.527 nan 0.000 0.332 266 F C -1.600 174.330 175.800 0.217 0.000 1.103 266 F CA -1.762 56.448 58.000 0.351 0.000 0.979 266 F CB 2.508 41.734 39.000 0.378 0.000 1.137 266 F HN 0.257 8.872 8.300 0.525 0.000 0.463 267 A N 2.190 125.138 122.820 0.214 0.000 2.423 267 A HA 0.929 nan 4.320 nan 0.000 0.304 267 A C -2.797 174.744 177.584 -0.072 0.000 1.104 267 A CA -1.973 49.967 52.037 -0.162 0.000 0.757 267 A CB 3.768 22.527 19.000 -0.401 0.000 1.313 267 A HN 1.075 9.385 8.150 0.267 0.000 0.423 268 Q N -0.477 119.215 119.800 -0.179 0.000 2.323 268 Q HA 0.402 nan 4.340 nan 0.000 0.271 268 Q C -1.647 174.236 176.000 -0.195 0.000 1.048 268 Q CA -1.384 54.387 55.803 -0.054 0.000 0.792 268 Q CB 3.555 32.366 28.738 0.122 0.000 1.280 268 Q HN -0.132 7.913 8.270 -0.376 0.000 0.441 269 R N 7.185 127.559 120.500 -0.210 0.000 2.316 269 R HA 0.072 nan 4.340 nan 0.000 0.314 269 R C -1.244 174.717 176.300 -0.565 0.000 1.069 269 R CA -0.394 55.445 56.100 -0.435 0.000 0.959 269 R CB -0.181 29.764 30.300 -0.592 0.000 0.987 269 R HN 0.416 8.630 8.270 -0.094 0.000 0.446 270 S N 3.807 119.122 115.700 -0.642 0.000 2.900 270 S HA 0.468 nan 4.470 nan 0.000 0.320 270 S C -0.331 173.791 174.600 -0.798 0.000 1.130 270 S CA -1.494 56.249 58.200 -0.762 0.000 0.863 270 S CB 3.113 66.124 63.200 -0.314 0.000 1.295 270 S HN 0.345 8.250 8.310 -0.498 0.107 0.596 271 Q N -1.900 117.639 119.800 -0.436 0.000 2.181 271 Q HA -0.086 nan 4.340 nan 0.000 0.205 271 Q C 2.118 178.088 176.000 -0.051 0.000 0.980 271 Q CA 2.540 58.257 55.803 -0.143 0.000 0.862 271 Q CB 0.384 29.142 28.738 0.033 0.000 0.905 271 Q HN 0.396 8.479 8.270 -0.311 0.000 0.429 272 V N -10.716 109.166 119.914 -0.053 0.000 3.661 272 V HA 0.257 nan 4.120 nan 0.000 0.271 272 V C 0.169 176.283 176.094 0.032 0.000 1.315 272 V CA -0.582 61.742 62.300 0.041 0.000 1.072 272 V CB 0.281 32.121 31.823 0.029 0.000 0.830 272 V HN -0.723 7.370 8.190 -0.117 0.027 0.443 273 T N 5.603 120.126 114.554 -0.052 0.000 2.809 273 T HA 0.351 nan 4.350 nan 0.000 0.296 273 T C -1.361 173.251 174.700 -0.147 0.000 1.015 273 T CA -0.264 61.829 62.100 -0.011 0.000 0.954 273 T CB 0.787 69.632 68.868 -0.038 0.000 0.950 273 T HN -0.632 7.400 8.240 -0.159 0.113 0.450 274 N N 7.315 125.980 118.700 -0.058 0.000 2.448 274 N HA 0.330 nan 4.740 nan 0.000 0.274 274 N C 0.508 175.939 175.510 -0.130 0.000 1.239 274 N CA -2.357 50.614 53.050 -0.131 0.000 0.982 274 N CB 0.911 39.400 38.487 0.003 0.000 1.199 274 N HN -0.284 8.129 8.380 0.054 0.000 0.576 275 Y N -2.302 118.050 120.300 0.087 0.000 2.293 275 Y HA -0.200 nan 4.550 nan 0.000 0.291 275 Y C 2.349 178.310 175.900 0.100 0.000 1.137 275 Y CA 3.718 61.867 58.100 0.083 0.000 1.202 275 Y CB 0.100 38.607 38.460 0.078 0.000 0.990 275 Y HN 0.089 8.704 8.280 -0.089 -0.389 0.537 276 L N -0.631 120.735 121.223 0.239 0.000 2.056 276 L HA -0.450 nan 4.340 nan 0.000 0.207 276 L C 2.272 179.287 176.870 0.243 0.000 1.078 276 L CA 2.808 57.771 54.840 0.204 0.000 0.749 276 L CB -0.500 41.649 42.059 0.150 0.000 0.901 276 L HN -0.119 8.523 8.230 0.219 -0.281 0.433 277 G N -1.254 107.692 108.800 0.243 0.000 2.418 277 G HA2 -0.361 nan 3.960 nan 0.000 0.217 277 G HA3 -0.361 nan 3.960 nan 0.000 0.217 277 G C 1.123 176.162 174.900 0.232 0.000 1.158 277 G CA 2.219 47.535 45.100 0.359 0.000 0.771 277 G HN 0.251 9.007 8.290 0.194 -0.350 0.545 278 I N 1.452 122.128 120.570 0.176 0.000 2.315 278 I HA -0.507 nan 4.170 nan 0.000 0.248 278 I C 1.358 177.575 176.117 0.168 0.000 1.117 278 I CA 3.664 65.070 61.300 0.177 0.000 1.404 278 I CB -0.112 37.967 38.000 0.130 0.000 1.071 278 I HN -0.380 7.923 8.210 0.155 0.000 0.419 279 E N 0.554 120.862 120.200 0.181 0.000 2.106 279 E HA -0.292 nan 4.350 nan 0.000 0.192 279 E C 1.741 178.409 176.600 0.113 0.000 0.984 279 E CA 2.763 59.241 56.400 0.130 0.000 0.806 279 E CB -0.650 29.130 29.700 0.133 0.000 0.750 279 E HN -0.154 8.252 8.360 0.209 0.079 0.458 280 W N 0.707 122.035 121.300 0.047 0.000 2.333 280 W HA -0.370 nan 4.660 nan 0.000 0.316 280 W C 2.127 178.660 176.519 0.022 0.000 1.215 280 W CA 4.121 61.494 57.345 0.047 0.000 1.278 280 W CB 0.126 29.637 29.460 0.085 0.000 1.154 280 W HN 0.177 8.575 8.180 0.364 0.000 0.486 281 M N -1.853 117.850 119.600 0.171 0.000 2.065 281 M HA -0.515 nan 4.480 nan 0.000 0.259 281 M C 2.363 178.583 176.300 -0.133 0.000 1.069 281 M CA 2.857 58.123 55.300 -0.058 0.000 1.110 281 M CB -1.130 31.316 32.600 -0.256 0.000 1.328 281 M HN -0.448 8.016 8.290 0.290 0.000 0.405 282 R N -1.081 119.382 120.500 -0.062 0.000 2.094 282 R HA -0.429 nan 4.340 nan 0.000 0.239 282 R C 2.179 178.402 176.300 -0.128 0.000 1.137 282 R CA 3.918 59.975 56.100 -0.072 0.000 0.943 282 R CB -0.072 30.207 30.300 -0.035 0.000 0.850 282 R HN 0.272 8.545 8.270 0.004 0.000 0.433 283 R N -2.716 117.684 120.500 -0.166 0.000 2.092 283 R HA -0.250 nan 4.340 nan 0.000 0.231 283 R C 2.044 178.171 176.300 -0.287 0.000 1.119 283 R CA 2.761 58.739 56.100 -0.203 0.000 0.970 283 R CB -0.194 29.989 30.300 -0.195 0.000 0.864 283 R HN -0.109 8.074 8.270 -0.144 0.000 0.440 284 H N -1.410 117.320 119.070 -0.567 0.000 2.389 284 H HA -0.149 nan 4.556 nan 0.000 0.299 284 H C 1.128 176.262 175.328 -0.323 0.000 1.081 284 H CA 2.633 58.311 56.048 -0.617 0.000 1.345 284 H CB 0.917 29.985 29.762 -1.158 0.000 1.393 284 H HN -0.158 7.654 8.280 -0.478 0.182 0.520 285 L N -3.058 117.986 121.223 -0.299 0.000 2.477 285 L HA 0.042 nan 4.340 nan 0.000 0.220 285 L C -0.473 176.360 176.870 -0.062 0.000 1.106 285 L CA -0.012 54.714 54.840 -0.189 0.000 0.851 285 L CB 0.690 42.691 42.059 -0.097 0.000 0.994 285 L HN -0.155 7.944 8.230 -0.218 0.000 0.462 286 A N 0.837 123.597 122.820 -0.101 0.000 2.425 286 A HA 0.039 nan 4.320 nan 0.000 0.242 286 A C -1.506 176.028 177.584 -0.084 0.000 1.077 286 A CA -0.336 51.658 52.037 -0.073 0.000 0.781 286 A CB -0.928 18.019 19.000 -0.088 0.000 1.020 286 A HN -0.438 7.627 8.150 -0.143 0.000 0.494 287 P HA 0.164 nan 4.420 nan 0.000 0.261 287 P C -0.552 176.698 177.300 -0.082 0.000 1.268 287 P CA 0.258 63.318 63.100 -0.067 0.000 0.833 287 P CB 0.965 32.625 31.700 -0.066 0.000 1.231 288 D N -0.824 119.529 120.400 -0.078 0.000 2.144 288 D HA -0.145 nan 4.640 nan 0.000 0.200 288 D C -0.349 175.689 176.300 -0.436 0.000 0.978 288 D CA 3.226 57.092 54.000 -0.225 0.000 0.833 288 D CB 0.871 41.559 40.800 -0.186 0.000 0.961 288 D HN -0.079 8.214 8.370 -0.032 0.058 0.470 289 Y N -3.022 117.248 120.300 -0.051 0.000 2.468 289 Y HA 0.302 nan 4.550 nan 0.000 0.342 289 Y C -0.920 174.926 175.900 -0.089 0.000 1.021 289 Y CA -1.022 57.053 58.100 -0.041 0.000 1.079 289 Y CB 2.609 41.054 38.460 -0.026 0.000 1.226 289 Y HN -0.778 7.595 8.280 0.154 0.000 0.460 290 R N 1.701 122.211 120.500 0.017 0.000 2.343 290 R HA 0.384 nan 4.340 nan 0.000 0.320 290 R C -1.895 174.208 176.300 -0.328 0.000 0.956 290 R CA -1.087 54.898 56.100 -0.192 0.000 0.836 290 R CB 1.910 32.068 30.300 -0.237 0.000 1.151 290 R HN 0.508 8.823 8.270 0.074 0.000 0.450 291 V N 3.926 123.654 119.914 -0.312 0.000 2.350 291 V HA 0.346 nan 4.120 nan 0.000 0.276 291 V C -0.652 175.244 176.094 -0.330 0.000 1.028 291 V CA -0.935 61.244 62.300 -0.202 0.000 0.860 291 V CB 0.115 31.934 31.823 -0.007 0.000 0.990 291 V HN 0.389 8.431 8.190 -0.245 0.000 0.453 292 H N 6.428 125.461 119.070 -0.062 0.000 2.499 292 H HA 0.361 nan 4.556 nan 0.000 0.340 292 H C -1.141 174.251 175.328 0.105 0.000 1.148 292 H CA -1.774 54.279 56.048 0.009 0.000 1.215 292 H CB 3.200 32.966 29.762 0.007 0.000 1.529 292 H HN 0.839 9.067 8.280 -0.087 0.000 0.510 293 I N 1.459 122.156 120.570 0.211 0.000 2.359 293 I HA 0.612 nan 4.170 nan 0.000 0.294 293 I C -0.218 175.977 176.117 0.130 0.000 0.987 293 I CA -0.804 60.592 61.300 0.161 0.000 1.225 293 I CB 1.308 39.405 38.000 0.161 0.000 1.366 293 I HN 0.307 8.630 8.210 0.188 0.000 0.466 294 I N 2.628 123.231 120.570 0.055 0.000 2.934 294 I HA 0.596 nan 4.170 nan 0.000 0.306 294 I C -2.238 173.703 176.117 -0.292 0.000 1.110 294 I CA -1.993 59.221 61.300 -0.144 0.000 1.019 294 I CB 3.579 41.421 38.000 -0.263 0.000 1.227 294 I HN 0.760 9.011 8.210 0.069 0.000 0.434 295 S N -0.673 114.747 115.700 -0.467 0.000 2.632 295 S HA 0.396 nan 4.470 nan 0.000 0.289 295 S C -1.528 172.529 174.600 -0.905 0.000 1.115 295 S CA -1.427 56.559 58.200 -0.357 0.000 0.889 295 S CB 3.298 66.600 63.200 0.170 0.000 1.116 295 S HN 0.180 8.384 8.310 -0.425 -0.149 0.486 296 F N -2.367 117.484 119.950 -0.165 0.000 2.664 296 F HA 0.388 nan 4.527 nan 0.000 0.317 296 F C -0.924 174.723 175.800 -0.257 0.000 1.108 296 F CA -1.167 56.612 58.000 -0.368 0.000 0.957 296 F CB 4.342 43.246 39.000 -0.159 0.000 1.365 296 F HN 0.002 8.383 8.300 0.135 0.000 0.475 297 K N 2.259 122.657 120.400 -0.003 0.000 2.220 297 K HA -0.172 nan 4.320 nan 0.000 0.283 297 K C -1.357 175.384 176.600 0.234 0.000 1.098 297 K CA 0.341 56.737 56.287 0.183 0.000 0.928 297 K CB -0.277 32.316 32.500 0.154 0.000 1.214 297 K HN 0.113 8.347 8.250 -0.027 0.000 0.442 298 D N 4.346 124.901 120.400 0.259 0.000 2.891 298 D HA 0.220 nan 4.640 nan 0.000 0.224 298 D C -1.290 175.044 176.300 0.057 0.000 1.321 298 D CA -2.545 51.551 54.000 0.160 0.000 0.929 298 D CB 2.987 43.880 40.800 0.156 0.000 1.551 298 D HN -0.573 7.981 8.370 0.307 0.000 0.574 299 P HA -0.008 nan 4.420 nan 0.000 0.249 299 P C -1.487 175.821 177.300 0.012 0.000 1.229 299 P CA 0.381 63.280 63.100 -0.335 0.000 0.788 299 P CB 0.786 32.112 31.700 -0.623 0.000 1.072 300 N N -1.127 117.634 118.700 0.102 0.000 2.700 300 N HA 0.230 nan 4.740 nan 0.000 0.242 300 N C -3.069 172.534 175.510 0.154 0.000 1.541 300 N CA -2.191 50.965 53.050 0.177 0.000 0.764 300 N CB 0.808 39.386 38.487 0.151 0.000 1.319 300 N HN -0.504 8.127 8.380 0.077 -0.205 0.518 301 P HA 0.129 nan 4.420 nan 0.000 0.280 301 P C -2.024 175.253 177.300 -0.038 0.000 1.244 301 P CA -0.610 62.523 63.100 0.055 0.000 0.784 301 P CB 1.025 32.756 31.700 0.052 0.000 0.913 302 M N 3.793 123.348 119.600 -0.076 0.000 2.356 302 M HA 0.015 nan 4.480 nan 0.000 0.215 302 M C -2.241 173.900 176.300 -0.265 0.000 0.978 302 M CA 0.466 55.623 55.300 -0.238 0.000 0.972 302 M CB 1.721 34.134 32.600 -0.311 0.000 2.529 302 M HN 0.020 8.288 8.290 -0.037 0.000 0.447 303 H N -0.612 118.444 119.070 -0.022 0.000 4.841 303 H HA -0.122 nan 4.556 nan 0.000 0.276 303 H C -1.592 173.735 175.328 -0.002 0.000 0.567 303 H CA 0.326 56.377 56.048 0.005 0.000 0.725 303 H CB -0.520 29.256 29.762 0.023 0.000 0.934 303 H HN 0.224 8.903 8.280 0.074 -0.354 0.314 304 I N 1.531 122.192 120.570 0.152 0.000 3.941 304 I HA 0.047 nan 4.170 nan 0.000 0.321 304 I C -0.432 175.716 176.117 0.052 0.000 1.284 304 I CA -0.305 61.033 61.300 0.064 0.000 1.226 304 I CB 1.442 39.523 38.000 0.134 0.000 1.045 304 I HN 0.585 8.802 8.210 0.179 0.101 0.420 305 D N 1.223 121.690 120.400 0.113 0.000 2.378 305 D HA -0.182 nan 4.640 nan 0.000 0.227 305 D C -0.718 175.611 176.300 0.049 0.000 1.012 305 D CA 0.984 55.023 54.000 0.066 0.000 0.905 305 D CB -1.146 39.743 40.800 0.149 0.000 0.895 305 D HN -0.348 8.122 8.370 0.166 0.000 0.532 306 A N -4.571 118.278 122.820 0.048 0.000 2.606 306 A HA 0.294 nan 4.320 nan 0.000 0.290 306 A C -0.377 177.162 177.584 -0.075 0.000 1.174 306 A CA -0.148 51.928 52.037 0.064 0.000 0.958 306 A CB 0.750 19.842 19.000 0.153 0.000 1.194 306 A HN -0.139 7.975 8.150 0.040 0.060 0.526 307 T N -0.402 114.052 114.554 -0.167 0.000 3.250 307 T HA 0.272 nan 4.350 nan 0.000 0.265 307 T C -1.321 173.215 174.700 -0.273 0.000 0.973 307 T CA 1.593 63.476 62.100 -0.361 0.000 1.040 307 T CB 2.959 71.449 68.868 -0.630 0.000 1.167 307 T HN -0.342 7.750 8.240 -0.110 0.082 0.471 308 F N 2.560 122.300 119.950 -0.349 0.000 2.959 308 F HA 0.358 nan 4.527 nan 0.000 0.379 308 F C -2.764 172.972 175.800 -0.107 0.000 1.215 308 F CA -0.869 57.008 58.000 -0.206 0.000 1.190 308 F CB 2.004 40.942 39.000 -0.104 0.000 1.574 308 F HN 0.154 8.411 8.300 -0.070 0.000 0.575 309 N N 6.768 125.334 118.700 -0.223 0.000 2.457 309 N HA 0.299 nan 4.740 nan 0.000 0.250 309 N C -1.060 174.316 175.510 -0.224 0.000 0.982 309 N CA -1.482 51.463 53.050 -0.175 0.000 0.941 309 N CB 2.240 40.646 38.487 -0.134 0.000 1.120 309 N HN 0.141 8.363 8.380 -0.263 0.000 0.505 310 I N 6.368 126.867 120.570 -0.119 0.000 2.436 310 I HA -0.152 nan 4.170 nan 0.000 0.289 310 I C -0.232 175.893 176.117 0.013 0.000 1.083 310 I CA 1.226 62.478 61.300 -0.081 0.000 1.372 310 I CB -0.116 37.999 38.000 0.192 0.000 1.408 310 I HN 0.468 8.670 8.210 -0.014 0.000 0.516 311 I N 1.206 121.691 120.570 -0.141 0.000 4.018 311 I HA 0.363 nan 4.170 nan 0.000 0.337 311 I C -0.419 175.547 176.117 -0.251 0.000 1.327 311 I CA -0.604 60.655 61.300 -0.069 0.000 1.100 311 I CB 1.308 39.299 38.000 -0.015 0.000 1.025 311 I HN 0.146 8.196 8.210 -0.266 0.000 0.396 312 G N -0.146 108.171 108.800 -0.805 0.000 2.451 312 G HA2 0.162 nan 3.960 nan 0.000 0.292 312 G HA3 0.162 nan 3.960 nan 0.000 0.292 312 G C -3.500 170.147 174.900 -2.089 0.000 1.427 312 G CA -0.373 43.864 45.100 -1.440 0.000 0.792 312 G HN -0.728 7.049 8.290 -0.855 0.000 0.498 313 P HA -0.069 nan 4.420 nan 0.000 0.259 313 P C -0.293 176.379 177.300 -1.048 0.000 1.211 313 P CA 0.712 62.966 63.100 -1.411 0.000 0.810 313 P CB -0.771 30.521 31.700 -0.681 0.000 0.815 314 G N 3.391 111.329 108.800 -1.436 0.000 2.136 314 G HA2 -0.444 nan 3.960 nan 0.000 0.242 314 G HA3 -0.444 nan 3.960 nan 0.000 0.242 314 G C -1.559 172.726 174.900 -1.024 0.000 0.989 314 G CA 0.226 44.322 45.100 -1.673 0.000 0.682 314 G HN 0.201 7.503 8.290 -1.645 0.000 0.522 315 I N -1.475 118.551 120.570 -0.907 0.000 2.498 315 I HA 0.774 nan 4.170 nan 0.000 0.290 315 I C -2.376 173.446 176.117 -0.492 0.000 1.032 315 I CA -0.951 60.032 61.300 -0.527 0.000 1.073 315 I CB 2.564 40.307 38.000 -0.430 0.000 1.251 315 I HN -0.342 7.074 8.210 -1.115 0.125 0.426 316 V N 6.818 126.511 119.914 -0.370 0.000 2.888 316 V HA 0.693 nan 4.120 nan 0.000 0.309 316 V C -2.498 173.365 176.094 -0.386 0.000 1.114 316 V CA -2.155 59.869 62.300 -0.461 0.000 0.940 316 V CB 4.484 35.856 31.823 -0.752 0.000 1.021 316 V HN 0.529 8.549 8.190 -0.284 0.000 0.426 317 L N 8.064 129.072 121.223 -0.358 0.000 2.260 317 L HA 0.665 nan 4.340 nan 0.000 0.289 317 L C -1.688 175.004 176.870 -0.297 0.000 1.057 317 L CA -1.144 53.545 54.840 -0.250 0.000 0.811 317 L CB 0.246 42.221 42.059 -0.139 0.000 1.184 317 L HN 0.561 8.570 8.230 -0.368 0.000 0.429 318 S N 5.220 120.787 115.700 -0.222 0.000 2.474 318 S HA 0.140 nan 4.470 nan 0.000 0.321 318 S C -1.185 173.298 174.600 -0.194 0.000 1.080 318 S CA -1.509 56.605 58.200 -0.143 0.000 1.106 318 S CB 0.902 64.091 63.200 -0.019 0.000 0.984 318 S HN 0.320 8.518 8.310 -0.186 0.000 0.464 319 N N 9.158 127.677 118.700 -0.303 0.000 2.411 319 N HA 0.003 nan 4.740 nan 0.000 0.265 319 N C -0.088 175.169 175.510 -0.422 0.000 1.266 319 N CA -0.905 51.791 53.050 -0.590 0.000 0.889 319 N CB 0.511 38.555 38.487 -0.738 0.000 1.069 319 N HN 0.172 8.397 8.380 -0.259 0.000 0.476 320 P HA -0.107 nan 4.420 nan 0.000 0.220 320 P C -0.324 176.911 177.300 -0.108 0.000 1.148 320 P CA 2.021 65.028 63.100 -0.153 0.000 0.803 320 P CB 0.236 31.913 31.700 -0.038 0.000 0.782 321 D N -1.928 118.358 120.400 -0.190 0.000 2.323 321 D HA 0.021 nan 4.640 nan 0.000 0.209 321 D C -0.252 176.017 176.300 -0.052 0.000 0.973 321 D CA 1.097 55.066 54.000 -0.052 0.000 0.874 321 D CB 0.224 41.042 40.800 0.029 0.000 0.930 321 D HN 0.145 8.546 8.370 -0.427 -0.287 0.521 322 R N -0.746 119.675 120.500 -0.133 0.000 2.651 322 R HA 0.408 nan 4.340 nan 0.000 0.282 322 R C -2.651 173.666 176.300 0.029 0.000 1.565 322 R CA -2.666 53.402 56.100 -0.054 0.000 1.661 322 R CB 1.126 31.332 30.300 -0.157 0.000 1.189 322 R HN -0.645 7.432 8.270 -0.239 0.049 0.621 323 P HA -0.029 nan 4.420 nan 0.000 0.271 323 P C -1.428 175.907 177.300 0.058 0.000 1.218 323 P CA -0.583 62.559 63.100 0.070 0.000 0.780 323 P CB 0.874 32.597 31.700 0.037 0.000 0.901 324 C N 3.194 122.541 119.300 0.079 0.000 2.415 324 C HA 0.255 nan 4.460 nan 0.000 0.369 324 C C 1.951 176.823 174.990 -0.197 0.000 1.279 324 C CA -1.304 57.599 59.018 -0.191 0.000 1.886 324 C CB 0.122 27.770 27.740 -0.153 0.000 2.468 324 C HN 0.533 8.841 8.230 0.130 0.000 0.553 325 H N 7.709 126.676 119.070 -0.172 0.000 2.491 325 H HA -0.254 nan 4.556 nan 0.000 0.290 325 H C 1.008 176.280 175.328 -0.093 0.000 1.050 325 H CA 2.195 58.184 56.048 -0.097 0.000 1.309 325 H CB 0.059 29.765 29.762 -0.092 0.000 1.392 325 H HN 0.608 8.496 8.280 -0.655 0.000 0.554 326 Q N -2.790 116.988 119.800 -0.038 0.000 2.201 326 Q HA 0.161 nan 4.340 nan 0.000 0.236 326 Q C 0.367 176.373 176.000 0.011 0.000 0.857 326 Q CA -1.150 54.622 55.803 -0.051 0.000 1.025 326 Q CB -0.704 27.962 28.738 -0.120 0.000 1.124 326 Q HN -0.615 7.522 8.270 -0.155 0.040 0.473 327 I N 1.443 122.064 120.570 0.084 0.000 2.399 327 I HA -0.518 nan 4.170 nan 0.000 0.254 327 I C 0.128 176.337 176.117 0.153 0.000 1.146 327 I CA 2.588 64.013 61.300 0.209 0.000 1.412 327 I CB 0.253 38.343 38.000 0.150 0.000 1.076 327 I HN -0.654 7.514 8.210 0.046 0.069 0.432 328 D N -0.774 119.648 120.400 0.038 0.000 2.219 328 D HA -0.251 nan 4.640 nan 0.000 0.205 328 D C 1.859 178.102 176.300 -0.094 0.000 0.970 328 D CA 4.292 58.288 54.000 -0.007 0.000 0.851 328 D CB -0.216 40.575 40.800 -0.015 0.000 0.943 328 D HN 0.075 8.430 8.370 0.024 0.029 0.488 329 L N -0.188 120.899 121.223 -0.227 0.000 2.046 329 L HA -0.297 nan 4.340 nan 0.000 0.208 329 L C 0.932 177.467 176.870 -0.558 0.000 1.077 329 L CA 3.287 57.858 54.840 -0.449 0.000 0.747 329 L CB -0.156 41.480 42.059 -0.704 0.000 0.896 329 L HN -0.347 7.638 8.230 -0.196 0.128 0.432 330 F N -2.922 116.890 119.950 -0.230 0.000 2.234 330 F HA -0.286 nan 4.527 nan 0.000 0.296 330 F C 1.885 177.623 175.800 -0.103 0.000 1.089 330 F CA 3.590 61.411 58.000 -0.299 0.000 1.343 330 F CB -0.483 38.409 39.000 -0.180 0.000 1.040 330 F HN -0.861 7.196 8.300 -0.230 0.105 0.498 331 K N -0.515 119.967 120.400 0.136 0.000 2.026 331 K HA -0.362 nan 4.320 nan 0.000 0.208 331 K C 2.801 179.439 176.600 0.062 0.000 1.048 331 K CA 3.555 59.910 56.287 0.114 0.000 0.929 331 K CB -0.434 32.118 32.500 0.087 0.000 0.713 331 K HN 0.002 8.335 8.250 0.139 0.000 0.439 332 K N -0.737 119.662 120.400 -0.001 0.000 2.280 332 K HA -0.226 nan 4.320 nan 0.000 0.202 332 K C 1.345 177.945 176.600 -0.001 0.000 1.047 332 K CA 2.378 58.657 56.287 -0.013 0.000 0.942 332 K CB -0.319 32.150 32.500 -0.052 0.000 0.739 332 K HN 0.003 8.236 8.250 -0.029 0.000 0.457 333 A N -3.987 118.819 122.820 -0.022 0.000 2.208 333 A HA 0.117 nan 4.320 nan 0.000 0.209 333 A C 0.218 177.943 177.584 0.236 0.000 1.161 333 A CA -0.322 51.736 52.037 0.034 0.000 0.782 333 A CB -0.340 18.544 19.000 -0.193 0.000 0.816 333 A HN -0.761 7.188 8.150 -0.069 0.159 0.477 334 G N -2.070 106.860 108.800 0.217 0.000 2.160 334 G HA2 -0.279 nan 3.960 nan 0.000 0.244 334 G HA3 -0.279 nan 3.960 nan 0.000 0.244 334 G C -0.322 174.793 174.900 0.358 0.000 1.022 334 G CA 0.101 45.343 45.100 0.237 0.000 0.741 334 G HN -0.296 7.886 8.290 0.148 0.196 0.508 335 W N -0.773 120.575 121.300 0.081 0.000 2.313 335 W HA 0.060 nan 4.660 nan 0.000 0.328 335 W C 0.387 176.911 176.519 0.009 0.000 1.197 335 W CA -1.510 55.868 57.345 0.055 0.000 1.235 335 W CB 0.529 30.063 29.460 0.125 0.000 1.158 335 W HN -0.562 7.908 8.180 0.483 0.000 0.578 336 T N 5.716 120.333 114.554 0.104 0.000 2.728 336 T HA 0.192 nan 4.350 nan 0.000 0.296 336 T C -1.260 173.432 174.700 -0.014 0.000 0.940 336 T CA 0.451 62.560 62.100 0.015 0.000 1.013 336 T CB 0.139 68.964 68.868 -0.071 0.000 0.912 336 T HN 0.960 9.186 8.240 -0.022 0.000 0.484 337 I N 7.424 128.000 120.570 0.009 0.000 2.307 337 I HA 0.381 nan 4.170 nan 0.000 0.289 337 I C -0.899 175.181 176.117 -0.062 0.000 1.021 337 I CA -1.016 60.263 61.300 -0.036 0.000 1.224 337 I CB 0.631 38.645 38.000 0.025 0.000 1.376 337 I HN 0.370 8.602 8.210 0.037 0.000 0.470 338 I N 9.612 130.114 120.570 -0.112 0.000 2.336 338 I HA 0.250 nan 4.170 nan 0.000 0.292 338 I C -1.015 175.032 176.117 -0.116 0.000 0.991 338 I CA -2.054 59.177 61.300 -0.116 0.000 1.227 338 I CB 0.836 38.740 38.000 -0.159 0.000 1.366 338 I HN 0.698 8.818 8.210 -0.151 0.000 0.466 339 T N 3.874 118.377 114.554 -0.085 0.000 2.753 339 T HA 0.479 nan 4.350 nan 0.000 0.297 339 T C -1.659 173.010 174.700 -0.052 0.000 0.981 339 T CA -3.713 58.343 62.100 -0.074 0.000 0.956 339 T CB 0.304 69.145 68.868 -0.045 0.000 0.936 339 T HN 0.292 8.491 8.240 -0.068 0.000 0.463 340 P HA 0.339 nan 4.420 nan 0.000 0.271 340 P C -2.427 174.954 177.300 0.135 0.000 1.233 340 P CA -1.589 61.523 63.100 0.021 0.000 0.789 340 P CB -0.638 31.121 31.700 0.098 0.000 0.951 341 P HA 0.103 nan 4.420 nan 0.000 0.278 341 P C -1.296 176.092 177.300 0.146 0.000 1.266 341 P CA -0.360 62.802 63.100 0.103 0.000 0.807 341 P CB 0.671 32.387 31.700 0.028 0.000 1.094 342 T N -4.206 110.397 114.554 0.081 0.000 2.932 342 T HA 0.015 nan 4.350 nan 0.000 0.312 342 T C -1.465 173.073 174.700 -0.269 0.000 1.071 342 T CA -1.783 60.245 62.100 -0.121 0.000 1.128 342 T CB -1.193 67.638 68.868 -0.061 0.000 0.984 342 T HN -0.093 8.196 8.240 0.082 0.000 0.549 343 P HA 0.114 nan 4.420 nan 0.000 0.272 343 P C -0.806 176.357 177.300 -0.229 0.000 1.223 343 P CA -0.645 62.229 63.100 -0.377 0.000 0.784 343 P CB 0.597 31.973 31.700 -0.539 0.000 0.923 344 I N -6.088 114.393 120.570 -0.149 0.000 3.974 344 I HA 0.253 nan 4.170 nan 0.000 0.334 344 I C 0.081 176.140 176.117 -0.098 0.000 1.437 344 I CA -1.234 60.003 61.300 -0.105 0.000 1.113 344 I CB 0.890 38.848 38.000 -0.071 0.000 1.063 344 I HN -0.026 8.625 8.210 -0.133 -0.521 0.400 345 I N 3.708 124.207 120.570 -0.118 0.000 2.710 345 I HA -0.037 nan 4.170 nan 0.000 0.286 345 I C -2.277 173.797 176.117 -0.072 0.000 1.181 345 I CA -1.965 59.271 61.300 -0.106 0.000 1.430 345 I CB 1.288 39.221 38.000 -0.112 0.000 1.367 345 I HN -0.689 7.427 8.210 -0.146 0.007 0.577 346 P HA 0.005 nan 4.420 nan 0.000 0.268 346 P C -0.813 176.492 177.300 0.009 0.000 1.205 346 P CA -0.019 63.071 63.100 -0.017 0.000 0.771 346 P CB 0.763 32.460 31.700 -0.005 0.000 0.858 347 D N 1.495 121.898 120.400 0.005 0.000 2.312 347 D HA -0.214 nan 4.640 nan 0.000 0.211 347 D C 0.703 177.014 176.300 0.019 0.000 0.964 347 D CA 2.428 56.435 54.000 0.012 0.000 0.877 347 D CB -0.324 40.482 40.800 0.009 0.000 0.924 347 D HN 0.341 8.710 8.370 -0.002 0.000 0.515 348 D N -4.513 115.903 120.400 0.027 0.000 2.347 348 D HA -0.158 nan 4.640 nan 0.000 0.213 348 D C -0.241 176.079 176.300 0.033 0.000 0.985 348 D CA 0.200 54.215 54.000 0.025 0.000 0.879 348 D CB -0.258 40.558 40.800 0.026 0.000 0.919 348 D HN 0.054 8.397 8.370 0.026 0.043 0.526 349 H N 3.546 122.583 119.070 -0.056 0.000 2.646 349 H HA 0.222 nan 4.556 nan 0.000 0.325 349 H C -1.905 173.326 175.328 -0.162 0.000 1.075 349 H CA -2.040 53.953 56.048 -0.092 0.000 1.421 349 H CB 1.054 30.761 29.762 -0.092 0.000 1.461 349 H HN -0.557 7.632 8.280 0.120 0.164 0.525 350 P HA 0.066 nan 4.420 nan 0.000 0.276 350 P C -2.041 174.593 177.300 -1.110 0.000 1.243 350 P CA -0.011 62.528 63.100 -0.934 0.000 0.768 350 P CB 0.690 31.578 31.700 -1.353 0.000 0.856 351 L N 2.459 123.212 121.223 -0.783 0.000 2.457 351 L HA 0.287 nan 4.340 nan 0.000 0.252 351 L C 0.438 176.882 176.870 -0.709 0.000 1.132 351 L CA -0.765 53.737 54.840 -0.562 0.000 0.938 351 L CB 0.396 42.310 42.059 -0.242 0.000 1.246 351 L HN 0.000 7.934 8.230 -0.493 0.000 0.476 352 W N 2.717 123.683 121.300 -0.556 0.000 2.402 352 W HA -0.138 nan 4.660 nan 0.000 0.286 352 W C 0.211 176.725 176.519 -0.008 0.000 1.221 352 W CA 2.380 59.435 57.345 -0.484 0.000 1.257 352 W CB 0.132 29.518 29.460 -0.124 0.000 1.120 352 W HN -0.219 7.484 8.180 -0.796 0.000 0.551 353 M N -5.796 113.950 119.600 0.245 0.000 2.313 353 M HA 0.175 nan 4.480 nan 0.000 0.273 353 M C -0.846 175.557 176.300 0.172 0.000 1.049 353 M CA -0.116 55.355 55.300 0.286 0.000 1.004 353 M CB 1.096 33.883 32.600 0.312 0.000 1.461 353 M HN -0.546 7.802 8.290 0.137 0.024 0.514 354 S N -2.390 113.349 115.700 0.064 0.000 2.757 354 S HA 0.133 nan 4.470 nan 0.000 0.285 354 S C -1.266 173.317 174.600 -0.029 0.000 1.196 354 S CA -1.322 56.924 58.200 0.075 0.000 0.856 354 S CB 1.963 65.223 63.200 0.100 0.000 1.212 354 S HN -0.924 7.371 8.310 -0.024 0.000 0.516 355 S N -0.532 115.232 115.700 0.106 0.000 2.694 355 S HA 0.212 nan 4.470 nan 0.000 0.278 355 S C 0.989 175.634 174.600 0.074 0.000 1.152 355 S CA -0.657 57.627 58.200 0.141 0.000 1.010 355 S CB 2.163 65.585 63.200 0.369 0.000 1.104 355 S HN 0.093 8.509 8.310 0.177 0.000 0.547 356 K N 0.567 120.979 120.400 0.020 0.000 2.432 356 K HA -0.050 nan 4.320 nan 0.000 0.196 356 K C 1.825 178.316 176.600 -0.181 0.000 1.038 356 K CA 1.645 57.858 56.287 -0.123 0.000 0.986 356 K CB -0.158 32.194 32.500 -0.246 0.000 0.782 356 K HN 0.394 8.684 8.250 0.067 0.000 0.485 357 W N -0.974 120.362 121.300 0.061 0.000 3.109 357 W HA -0.172 nan 4.660 nan 0.000 0.242 357 W C 0.845 177.398 176.519 0.057 0.000 1.318 357 W CA 1.032 58.411 57.345 0.056 0.000 1.491 357 W CB -0.518 28.975 29.460 0.055 0.000 1.120 357 W HN -0.197 8.067 8.180 0.253 0.068 0.715 358 L N -0.633 120.701 121.223 0.185 0.000 2.353 358 L HA -0.455 nan 4.340 nan 0.000 0.220 358 L C 1.863 178.825 176.870 0.153 0.000 1.133 358 L CA 2.468 57.400 54.840 0.153 0.000 0.798 358 L CB -1.000 41.108 42.059 0.081 0.000 0.922 358 L HN -0.439 7.751 8.230 0.106 0.103 0.445 359 S N 1.166 116.945 115.700 0.132 0.000 2.419 359 S HA -0.311 nan 4.470 nan 0.000 0.235 359 S C 1.246 175.996 174.600 0.250 0.000 1.019 359 S CA 3.167 61.456 58.200 0.148 0.000 0.982 359 S CB -0.052 63.179 63.200 0.053 0.000 0.789 359 S HN -0.484 7.824 8.310 0.076 0.047 0.490 360 M N -4.790 114.994 119.600 0.306 0.000 2.431 360 M HA 0.237 nan 4.480 nan 0.000 0.237 360 M C 0.088 176.524 176.300 0.226 0.000 1.130 360 M CA 0.157 55.629 55.300 0.286 0.000 1.002 360 M CB 0.684 33.448 32.600 0.273 0.000 1.524 360 M HN -0.688 7.793 8.290 0.358 0.025 0.482 361 N N 3.456 122.297 118.700 0.234 0.000 3.091 361 N HA 0.091 nan 4.740 nan 0.000 0.301 361 N C -1.232 174.457 175.510 0.299 0.000 1.325 361 N CA -0.673 52.508 53.050 0.218 0.000 1.143 361 N CB 0.046 38.659 38.487 0.211 0.000 1.450 361 N HN -0.274 8.049 8.380 0.246 0.205 0.542 362 V N -3.992 116.081 119.914 0.264 0.000 3.133 362 V HA 0.395 nan 4.120 nan 0.000 0.305 362 V C -1.393 174.830 176.094 0.216 0.000 1.084 362 V CA -1.337 61.114 62.300 0.252 0.000 1.089 362 V CB 0.699 32.581 31.823 0.097 0.000 1.073 362 V HN -0.497 7.735 8.190 0.214 0.086 0.477 363 L N 2.475 123.786 121.223 0.147 0.000 2.362 363 L HA 0.526 nan 4.340 nan 0.000 0.275 363 L C -1.368 175.514 176.870 0.019 0.000 0.998 363 L CA -0.838 54.102 54.840 0.168 0.000 0.820 363 L CB 4.091 46.265 42.059 0.192 0.000 1.270 363 L HN -0.426 7.817 8.230 0.023 0.000 0.415 364 M N 4.848 124.483 119.600 0.059 0.000 2.113 364 M HA 0.367 nan 4.480 nan 0.000 0.352 364 M C 0.413 176.723 176.300 0.017 0.000 1.170 364 M CA -1.550 53.756 55.300 0.010 0.000 1.053 364 M CB -0.344 32.304 32.600 0.079 0.000 1.601 364 M HN 0.768 9.140 8.290 0.136 0.000 0.459 365 L N 3.960 125.166 121.223 -0.029 0.000 2.179 365 L HA -0.079 nan 4.340 nan 0.000 0.208 365 L C -0.279 176.596 176.870 0.008 0.000 1.096 365 L CA 2.078 56.906 54.840 -0.020 0.000 0.779 365 L CB -0.505 41.524 42.059 -0.050 0.000 0.922 365 L HN 0.714 8.901 8.230 -0.072 0.000 0.443 366 D N -4.605 115.806 120.400 0.018 0.000 2.792 366 D HA 0.044 nan 4.640 nan 0.000 0.335 366 D C 1.198 177.538 176.300 0.066 0.000 1.353 366 D CA -0.444 53.590 54.000 0.057 0.000 0.839 366 D CB 0.230 41.053 40.800 0.038 0.000 1.396 366 D HN -0.535 7.817 8.370 -0.004 0.015 0.479 367 E N -1.531 118.721 120.200 0.086 0.000 2.118 367 E HA -0.286 nan 4.350 nan 0.000 0.195 367 E C 0.895 177.485 176.600 -0.017 0.000 0.992 367 E CA 3.033 59.452 56.400 0.032 0.000 0.804 367 E CB -0.002 29.700 29.700 0.004 0.000 0.741 367 E HN 0.266 8.690 8.360 0.106 0.000 0.458 368 K N -4.944 115.447 120.400 -0.014 0.000 2.372 368 K HA 0.212 nan 4.320 nan 0.000 0.200 368 K C -1.553 175.016 176.600 -0.051 0.000 1.022 368 K CA -1.123 55.147 56.287 -0.028 0.000 1.125 368 K CB 0.620 33.109 32.500 -0.019 0.000 0.855 368 K HN -0.186 8.264 8.250 0.001 -0.199 0.524 369 R N -1.469 118.991 120.500 -0.066 0.000 2.476 369 R HA 0.559 nan 4.340 nan 0.000 0.305 369 R C -2.338 173.867 176.300 -0.158 0.000 0.965 369 R CA -0.639 55.399 56.100 -0.103 0.000 0.867 369 R CB 2.932 33.187 30.300 -0.076 0.000 1.176 369 R HN -0.547 7.668 8.270 -0.047 0.027 0.447 370 V N 4.728 124.485 119.914 -0.261 0.000 2.656 370 V HA 0.721 nan 4.120 nan 0.000 0.307 370 V C -2.379 173.483 176.094 -0.387 0.000 1.051 370 V CA -2.653 59.422 62.300 -0.375 0.000 0.893 370 V CB 4.221 35.604 31.823 -0.735 0.000 0.999 370 V HN 0.564 8.601 8.190 -0.255 0.000 0.426 371 M N 9.726 129.086 119.600 -0.399 0.000 2.084 371 M HA 0.611 nan 4.480 nan 0.000 0.351 371 M C -2.363 173.484 176.300 -0.756 0.000 1.240 371 M CA 0.077 55.022 55.300 -0.592 0.000 1.083 371 M CB 1.297 33.499 32.600 -0.664 0.000 1.593 371 M HN 0.447 8.543 8.290 -0.324 0.000 0.463 372 V N 5.444 125.000 119.914 -0.596 0.000 3.040 372 V HA 0.507 nan 4.120 nan 0.000 0.312 372 V C -2.814 173.293 176.094 0.022 0.000 1.115 372 V CA -3.261 58.910 62.300 -0.215 0.000 0.998 372 V CB 4.356 36.118 31.823 -0.102 0.000 1.042 372 V HN 0.570 8.456 8.190 -0.506 0.000 0.433 373 D N 3.155 123.779 120.400 0.374 0.000 2.425 373 D HA -0.051 nan 4.640 nan 0.000 0.247 373 D C 0.850 177.225 176.300 0.125 0.000 1.147 373 D CA 1.270 55.461 54.000 0.317 0.000 0.879 373 D CB 1.383 42.309 40.800 0.211 0.000 1.179 373 D HN 0.299 8.913 8.370 0.406 0.000 0.456 374 A N 8.537 131.407 122.820 0.084 0.000 1.972 374 A HA -0.246 nan 4.320 nan 0.000 0.219 374 A C 1.222 178.812 177.584 0.010 0.000 1.169 374 A CA 2.614 54.667 52.037 0.026 0.000 0.635 374 A CB -0.006 18.999 19.000 0.008 0.000 0.810 374 A HN 0.535 8.657 8.150 0.120 0.100 0.446 375 N N -4.286 114.414 118.700 0.001 0.000 2.416 375 N HA -0.068 nan 4.740 nan 0.000 0.177 375 N C 0.061 175.563 175.510 -0.013 0.000 1.036 375 N CA 1.395 54.432 53.050 -0.022 0.000 0.901 375 N CB 0.587 39.040 38.487 -0.057 0.000 0.976 375 N HN -0.414 8.197 8.380 0.008 -0.227 0.444 376 E N 1.475 121.683 120.200 0.012 0.000 1.979 376 E HA 0.136 nan 4.350 nan 0.000 0.285 376 E C 0.074 176.693 176.600 0.031 0.000 1.188 376 E CA -0.790 55.620 56.400 0.016 0.000 1.214 376 E CB -1.741 27.985 29.700 0.044 0.000 1.210 376 E HN -0.573 7.662 8.360 0.034 0.145 0.477 377 V N 3.372 123.294 119.914 0.013 0.000 2.332 377 V HA -0.289 nan 4.120 nan 0.000 0.248 377 V C -0.537 175.570 176.094 0.022 0.000 1.055 377 V CA 6.165 68.476 62.300 0.018 0.000 1.038 377 V CB -2.756 29.070 31.823 0.004 0.000 0.651 377 V HN -0.380 7.761 8.190 -0.001 0.049 0.450 378 P HA -0.280 nan 4.420 nan 0.000 0.215 378 P C 1.649 178.952 177.300 0.005 0.000 1.157 378 P CA 3.570 66.671 63.100 0.002 0.000 0.874 378 P CB -0.349 31.346 31.700 -0.008 0.000 0.790 379 I N -4.556 116.031 120.570 0.028 0.000 2.676 379 I HA -0.386 nan 4.170 nan 0.000 0.259 379 I C 1.111 177.299 176.117 0.119 0.000 1.194 379 I CA 2.224 63.539 61.300 0.026 0.000 1.473 379 I CB -0.230 37.827 38.000 0.093 0.000 1.096 379 I HN -0.641 7.590 8.210 0.036 0.000 0.443 380 Q N 0.063 119.953 119.800 0.150 0.000 2.079 380 Q HA -0.375 nan 4.340 nan 0.000 0.200 380 Q C 2.398 178.479 176.000 0.134 0.000 0.974 380 Q CA 3.628 59.543 55.803 0.186 0.000 0.840 380 Q CB -0.400 28.396 28.738 0.097 0.000 0.898 380 Q HN -0.614 7.598 8.270 0.104 0.120 0.430 381 K N -1.055 119.381 120.400 0.060 0.000 2.147 381 K HA -0.253 nan 4.320 nan 0.000 0.205 381 K C 2.191 178.793 176.600 0.004 0.000 1.049 381 K CA 2.060 58.364 56.287 0.028 0.000 0.936 381 K CB -0.742 31.763 32.500 0.008 0.000 0.722 381 K HN -0.163 8.115 8.250 0.047 0.000 0.446 382 M N 0.006 119.578 119.600 -0.047 0.000 2.086 382 M HA -0.352 nan 4.480 nan 0.000 0.261 382 M C 2.176 178.384 176.300 -0.154 0.000 1.067 382 M CA 3.966 59.175 55.300 -0.151 0.000 1.116 382 M CB -0.054 32.373 32.600 -0.288 0.000 1.348 382 M HN -0.732 7.427 8.290 -0.037 0.109 0.407 383 F N -2.632 117.307 119.950 -0.019 0.000 2.186 383 F HA -0.386 nan 4.527 nan 0.000 0.299 383 F C 2.124 177.906 175.800 -0.030 0.000 1.090 383 F CA 3.789 61.771 58.000 -0.029 0.000 1.307 383 F CB -0.704 38.278 39.000 -0.030 0.000 1.019 383 F HN -0.426 7.865 8.300 -0.015 0.000 0.489 384 E N -0.556 119.738 120.200 0.157 0.000 2.110 384 E HA -0.368 nan 4.350 nan 0.000 0.193 384 E C 2.955 179.579 176.600 0.040 0.000 0.988 384 E CA 3.218 59.665 56.400 0.079 0.000 0.804 384 E CB -0.438 29.295 29.700 0.054 0.000 0.745 384 E HN -0.035 8.358 8.360 0.167 0.067 0.458 385 K N -0.482 119.929 120.400 0.020 0.000 2.283 385 K HA -0.209 nan 4.320 nan 0.000 0.202 385 K C 1.294 177.892 176.600 -0.003 0.000 1.048 385 K CA 2.392 58.679 56.287 -0.000 0.000 0.948 385 K CB -0.131 32.359 32.500 -0.016 0.000 0.742 385 K HN -0.200 8.060 8.250 0.016 0.000 0.458 386 L N -3.126 118.101 121.223 0.007 0.000 2.591 386 L HA 0.033 nan 4.340 nan 0.000 0.228 386 L C -0.148 176.731 176.870 0.016 0.000 1.133 386 L CA -0.251 54.591 54.840 0.004 0.000 0.880 386 L CB 0.255 42.317 42.059 0.005 0.000 1.033 386 L HN -0.833 7.256 8.230 0.022 0.154 0.450 387 G N -1.925 106.889 108.800 0.024 0.000 2.136 387 G HA2 -0.407 nan 3.960 nan 0.000 0.242 387 G HA3 -0.407 nan 3.960 nan 0.000 0.242 387 G C -0.412 174.500 174.900 0.019 0.000 0.989 387 G CA 0.236 45.344 45.100 0.015 0.000 0.682 387 G HN -0.439 7.680 8.290 0.029 0.189 0.522 388 I N 0.817 121.416 120.570 0.049 0.000 2.315 388 I HA -0.052 nan 4.170 nan 0.000 0.291 388 I C -0.547 175.571 176.117 0.002 0.000 1.006 388 I CA -0.536 60.782 61.300 0.030 0.000 1.265 388 I CB 0.537 38.590 38.000 0.088 0.000 1.387 388 I HN -0.327 7.898 8.210 0.082 0.035 0.475 389 T N 10.312 124.844 114.554 -0.036 0.000 2.817 389 T HA 0.043 nan 4.350 nan 0.000 0.295 389 T C -0.155 174.487 174.700 -0.097 0.000 0.958 389 T CA 0.894 62.964 62.100 -0.050 0.000 1.157 389 T CB -0.064 68.773 68.868 -0.052 0.000 0.898 389 T HN 0.509 8.726 8.240 -0.038 0.000 0.536 390 T N 3.357 117.863 114.554 -0.081 0.000 2.771 390 T HA 0.558 nan 4.350 nan 0.000 0.291 390 T C -0.403 174.222 174.700 -0.124 0.000 0.954 390 T CA -1.814 60.211 62.100 -0.126 0.000 1.045 390 T CB 0.239 69.072 68.868 -0.059 0.000 0.917 390 T HN 0.233 8.447 8.240 -0.042 0.000 0.484 391 I N 6.694 127.157 120.570 -0.179 0.000 2.337 391 I HA 0.221 nan 4.170 nan 0.000 0.285 391 I C -0.956 175.042 176.117 -0.198 0.000 1.041 391 I CA -0.604 60.596 61.300 -0.167 0.000 1.199 391 I CB 0.490 38.380 38.000 -0.183 0.000 1.370 391 I HN 0.770 8.837 8.210 -0.237 0.000 0.470 392 K N 6.960 127.283 120.400 -0.128 0.000 2.258 392 K HA 0.341 nan 4.320 nan 0.000 0.284 392 K C -1.260 175.295 176.600 -0.075 0.000 1.051 392 K CA -0.086 56.142 56.287 -0.098 0.000 0.923 392 K CB 0.368 32.840 32.500 -0.046 0.000 1.046 392 K HN 0.218 8.410 8.250 -0.097 0.000 0.474 393 V N 3.825 123.714 119.914 -0.042 0.000 2.789 393 V HA 0.229 nan 4.120 nan 0.000 0.311 393 V C -1.586 174.590 176.094 0.137 0.000 1.073 393 V CA -1.804 60.519 62.300 0.039 0.000 0.921 393 V CB 4.152 36.015 31.823 0.067 0.000 1.009 393 V HN 0.387 8.551 8.190 -0.044 0.000 0.426 394 N N 4.847 123.578 118.700 0.052 0.000 2.422 394 N HA 0.299 nan 4.740 nan 0.000 0.266 394 N C -0.512 174.967 175.510 -0.052 0.000 1.007 394 N CA -0.067 52.986 53.050 0.006 0.000 0.941 394 N CB 0.593 39.057 38.487 -0.039 0.000 1.115 394 N HN 0.264 8.654 8.380 0.016 0.000 0.492 395 I N -0.227 120.276 120.570 -0.110 0.000 3.171 395 I HA 0.417 nan 4.170 nan 0.000 0.329 395 I C -0.028 175.955 176.117 -0.223 0.000 1.522 395 I CA -1.971 59.180 61.300 -0.247 0.000 0.948 395 I CB 0.326 38.047 38.000 -0.466 0.000 1.527 395 I HN -0.406 7.935 8.210 -0.079 -0.178 0.547 396 R N 3.570 123.957 120.500 -0.187 0.000 2.096 396 R HA -0.386 nan 4.340 nan 0.000 0.240 396 R C 1.130 177.361 176.300 -0.116 0.000 1.139 396 R CA 3.407 59.367 56.100 -0.233 0.000 0.952 396 R CB -0.467 29.645 30.300 -0.314 0.000 0.854 396 R HN -0.170 8.245 8.270 -0.166 -0.244 0.436 397 N N -1.460 117.187 118.700 -0.088 0.000 2.354 397 N HA -0.150 nan 4.740 nan 0.000 0.179 397 N C 2.023 177.591 175.510 0.096 0.000 1.021 397 N CA 2.538 55.582 53.050 -0.009 0.000 0.887 397 N CB 0.276 38.578 38.487 -0.309 0.000 0.974 397 N HN -0.510 8.163 8.380 -0.150 -0.382 0.437 398 A N 0.835 123.621 122.820 -0.058 0.000 1.969 398 A HA -0.212 nan 4.320 nan 0.000 0.218 398 A C 1.939 179.647 177.584 0.207 0.000 1.169 398 A CA 2.776 54.786 52.037 -0.045 0.000 0.635 398 A CB -0.675 17.942 19.000 -0.637 0.000 0.810 398 A HN 0.057 8.263 8.150 -0.164 -0.155 0.445 399 N N -1.561 117.194 118.700 0.091 0.000 2.205 399 N HA -0.328 nan 4.740 nan 0.000 0.186 399 N C 2.504 178.079 175.510 0.108 0.000 1.015 399 N CA 2.824 55.941 53.050 0.112 0.000 0.862 399 N CB -0.189 38.323 38.487 0.042 0.000 0.986 399 N HN 0.011 8.370 8.380 -0.010 0.015 0.429 400 S N 1.169 116.928 115.700 0.098 0.000 2.419 400 S HA -0.281 nan 4.470 nan 0.000 0.235 400 S C 0.959 175.567 174.600 0.015 0.000 1.019 400 S CA 3.268 61.373 58.200 -0.159 0.000 0.982 400 S CB -0.281 62.643 63.200 -0.459 0.000 0.789 400 S HN -0.563 7.742 8.310 0.203 0.127 0.490 401 L N -3.261 118.037 121.223 0.124 0.000 2.376 401 L HA -0.214 nan 4.340 nan 0.000 0.219 401 L C 0.265 177.204 176.870 0.114 0.000 1.133 401 L CA 1.488 56.369 54.840 0.068 0.000 0.816 401 L CB 0.035 42.103 42.059 0.016 0.000 0.933 401 L HN -0.392 7.828 8.230 0.209 0.135 0.449 402 G N -5.609 103.254 108.800 0.105 0.000 2.273 402 G HA2 -0.182 nan 3.960 nan 0.000 0.162 402 G HA3 -0.182 nan 3.960 nan 0.000 0.162 402 G C -0.973 173.972 174.900 0.074 0.000 1.006 402 G CA -0.562 44.598 45.100 0.100 0.000 0.704 402 G HN -0.154 8.045 8.290 0.121 0.164 0.487 403 G N -1.350 107.508 108.800 0.097 0.000 2.677 403 G HA2 0.238 nan 3.960 nan 0.000 0.291 403 G HA3 0.238 nan 3.960 nan 0.000 0.291 403 G C -1.918 173.127 174.900 0.242 0.000 1.435 403 G CA -0.228 44.941 45.100 0.114 0.000 0.826 403 G HN -0.960 7.441 8.290 0.185 0.000 0.491 404 G N -1.546 107.349 108.800 0.160 0.000 2.695 404 G HA2 0.678 nan 3.960 nan 0.000 0.213 404 G HA3 0.678 nan 3.960 nan 0.000 0.213 404 G C 0.152 175.064 174.900 0.020 0.000 1.406 404 G CA -1.743 43.343 45.100 -0.023 0.000 1.049 404 G HN 0.043 8.683 8.290 0.157 -0.255 0.573 405 F N 0.134 120.214 119.950 0.216 0.000 2.171 405 F HA -0.274 nan 4.527 nan 0.000 0.300 405 F C 2.187 178.120 175.800 0.222 0.000 1.090 405 F CA 4.284 62.398 58.000 0.190 0.000 1.293 405 F CB -0.015 39.048 39.000 0.104 0.000 1.013 405 F HN -0.319 7.865 8.300 -0.193 0.000 0.486 406 H N -0.146 119.090 119.070 0.277 0.000 2.428 406 H HA -0.267 nan 4.556 nan 0.000 0.296 406 H C 2.147 177.546 175.328 0.118 0.000 1.062 406 H CA 4.529 60.685 56.048 0.180 0.000 1.350 406 H CB 0.658 30.511 29.762 0.153 0.000 1.403 406 H HN -0.204 8.356 8.280 0.468 0.000 0.533 407 C N -0.652 118.739 119.300 0.152 0.000 2.457 407 C HA -0.241 nan 4.460 nan 0.000 0.278 407 C C 1.918 176.843 174.990 -0.108 0.000 1.309 407 C CA 4.683 63.690 59.018 -0.019 0.000 1.735 407 C CB -1.264 26.463 27.740 -0.022 0.000 1.992 407 C HN -0.435 8.143 8.230 0.240 -0.204 0.493 408 W N -2.449 118.820 121.300 -0.051 0.000 3.077 408 W HA -0.170 nan 4.660 nan 0.000 0.245 408 W C -1.084 175.424 176.519 -0.019 0.000 1.316 408 W CA 1.795 59.108 57.345 -0.053 0.000 1.537 408 W CB -0.305 29.118 29.460 -0.063 0.000 1.131 408 W HN -0.035 8.338 8.180 0.322 0.000 0.695 409 T N -8.302 106.325 114.554 0.122 0.000 2.864 409 T HA 0.588 nan 4.350 nan 0.000 0.289 409 T C -2.677 171.994 174.700 -0.048 0.000 1.082 409 T CA -2.512 59.630 62.100 0.071 0.000 1.009 409 T CB 3.421 72.342 68.868 0.089 0.000 1.234 409 T HN -0.721 7.490 8.240 0.061 0.065 0.526 410 C N 2.170 121.453 119.300 -0.029 0.000 2.620 410 C HA 0.394 nan 4.460 nan 0.000 0.356 410 C C -2.064 172.902 174.990 -0.040 0.000 1.082 410 C CA -1.236 57.738 59.018 -0.074 0.000 1.293 410 C CB 1.912 29.605 27.740 -0.078 0.000 1.836 410 C HN 0.273 8.516 8.230 0.022 0.000 0.453 411 D N 7.758 128.123 120.400 -0.059 0.000 2.346 411 D HA -0.042 nan 4.640 nan 0.000 0.260 411 D C -0.452 175.800 176.300 -0.081 0.000 1.252 411 D CA 0.552 54.522 54.000 -0.049 0.000 0.895 411 D CB -0.399 40.374 40.800 -0.045 0.000 1.097 411 D HN 0.013 8.331 8.370 -0.086 0.000 0.489 412 V N 1.500 121.364 119.914 -0.083 0.000 2.599 412 V HA -0.036 nan 4.120 nan 0.000 0.245 412 V C -0.368 175.606 176.094 -0.201 0.000 1.046 412 V CA 2.398 64.599 62.300 -0.165 0.000 1.065 412 V CB 0.801 32.510 31.823 -0.189 0.000 0.703 412 V HN 0.204 8.365 8.190 -0.048 0.000 0.464 413 R N -2.163 118.252 120.500 -0.142 0.000 2.533 413 R HA 0.490 nan 4.340 nan 0.000 0.288 413 R C -2.530 173.722 176.300 -0.081 0.000 1.039 413 R CA -0.545 55.477 56.100 -0.129 0.000 0.909 413 R CB 3.163 33.391 30.300 -0.120 0.000 1.195 413 R HN -0.538 7.672 8.270 -0.100 0.000 0.438 414 R N 4.724 125.178 120.500 -0.077 0.000 2.575 414 R HA 0.522 nan 4.340 nan 0.000 0.293 414 R C -1.663 174.632 176.300 -0.008 0.000 0.983 414 R CA -1.462 54.612 56.100 -0.043 0.000 0.887 414 R CB 3.374 33.635 30.300 -0.065 0.000 1.184 414 R HN 0.686 8.897 8.270 -0.100 0.000 0.445 415 R N 4.317 124.824 120.500 0.012 0.000 2.343 415 R HA -0.151 nan 4.340 nan 0.000 0.326 415 R C -0.876 175.463 176.300 0.065 0.000 1.055 415 R CA 1.119 57.241 56.100 0.037 0.000 0.961 415 R CB -0.087 30.231 30.300 0.031 0.000 0.978 415 R HN 0.608 8.785 8.270 0.006 0.096 0.443 416 G N 4.054 112.916 108.800 0.103 0.000 2.313 416 G HA2 -0.016 nan 3.960 nan 0.000 0.296 416 G HA3 -0.016 nan 3.960 nan 0.000 0.296 416 G C -2.906 172.094 174.900 0.167 0.000 1.356 416 G CA 0.241 45.417 45.100 0.127 0.000 0.833 416 G HN -0.271 8.087 8.290 0.114 0.000 0.552 417 T N -3.569 111.023 114.554 0.064 0.000 2.926 417 T HA 0.330 nan 4.350 nan 0.000 0.289 417 T C -0.681 173.743 174.700 -0.460 0.000 1.054 417 T CA -2.433 59.577 62.100 -0.150 0.000 1.015 417 T CB 2.632 71.437 68.868 -0.106 0.000 1.167 417 T HN 0.062 8.347 8.240 0.076 0.000 0.526 418 L N 1.689 122.355 121.223 -0.928 0.000 2.433 418 L HA 0.045 nan 4.340 nan 0.000 0.275 418 L C -0.535 176.115 176.870 -0.367 0.000 1.128 418 L CA 0.265 54.605 54.840 -0.833 0.000 0.875 418 L CB -0.100 41.488 42.059 -0.785 0.000 1.171 418 L HN 0.236 7.948 8.230 -0.863 0.000 0.463 419 Q N 4.899 124.543 119.800 -0.260 0.000 2.605 419 Q HA 0.306 nan 4.340 nan 0.000 0.296 419 Q C -2.104 173.614 176.000 -0.470 0.000 1.056 419 Q CA -1.627 53.965 55.803 -0.351 0.000 0.778 419 Q CB 3.916 32.410 28.738 -0.407 0.000 1.497 419 Q HN 0.009 8.188 8.270 -0.152 0.000 0.443 420 S N -0.414 114.998 115.700 -0.480 0.000 2.472 420 S HA 0.347 nan 4.470 nan 0.000 0.303 420 S C -0.827 173.522 174.600 -0.418 0.000 1.099 420 S CA -1.610 56.413 58.200 -0.295 0.000 1.077 420 S CB 0.650 63.790 63.200 -0.100 0.000 1.031 420 S HN 0.210 8.282 8.310 -0.398 0.000 0.487 421 Y N 3.705 124.213 120.300 0.348 0.000 2.563 421 Y HA 0.201 nan 4.550 nan 0.000 0.250 421 Y C -0.464 175.814 175.900 0.630 0.000 1.126 421 Y CA -0.298 58.051 58.100 0.415 0.000 1.231 421 Y CB 1.113 39.826 38.460 0.421 0.000 1.288 421 Y HN 0.977 9.450 8.280 0.322 0.000 0.537 422 L N -1.190 120.371 121.223 0.563 0.000 2.667 422 L HA -0.002 nan 4.340 nan 0.000 0.232 422 L C -0.931 176.064 176.870 0.208 0.000 1.138 422 L CA -0.043 55.025 54.840 0.380 0.000 0.921 422 L CB 0.245 42.432 42.059 0.213 0.000 1.180 422 L HN -0.548 7.925 8.230 0.405 0.000 0.487 423 D N 0.000 120.520 120.400 0.200 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.068 54.000 0.113 0.000 0.868 423 D CB 0.000 40.855 40.800 0.092 0.000 0.688 423 D HN 0.000 8.431 8.370 0.238 0.081 0.683