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 3e78_1_A DATA FIRST_RESID 39 DATA SEQUENCE QGQWDKSITF GVSEAWLNKK KGGEKVNKEV INTFLENFKK EFNKLKNAND DATA SEQUENCE KTKNFDDVDF KVTPIQDFTV LLNNLSTDNP ELDFGINASG KLVEFLKNNP DATA SEQUENCE GIITPALETT TNSFVFDKEK DKFYVDGTDS DPLVKIAKEI NKIFVETPYA DATA SEQUENCE SWTDENHKWN GNVYQSVYDP TVQANFYRGM IWIKGNDETL AKIKKAWNDK DATA SEQUENCE DWNTFRNFGI LHGKDNSSSK FKLEETILKN HFQNKFTTLN EDRSAHPNAY DATA SEQUENCE KQKSADTLGT LDDFHIAFSE EGSFAWTHNK SATKPFETKA NEKMEALIVT DATA SEQUENCE NPIPYDVGVF RKSVNQLEQN LIVQTFINLA KNKQDTYGPL LGYNGYKKID DATA SEQUENCE NFQKEIVEVY EKAIK 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 39 Q HA 0.000 nan 4.340 nan 0.000 0.214 39 Q C 0.000 176.014 176.000 0.023 0.000 1.003 39 Q CA 0.000 55.824 55.803 0.035 0.000 1.022 39 Q CB 0.000 28.772 28.738 0.057 0.000 1.108 40 G N 0.881 109.698 108.800 0.029 0.000 2.661 40 G HA2 -0.170 3.790 3.960 0.001 0.000 0.685 40 G HA3 -0.170 3.790 3.960 0.001 0.000 0.685 40 G C -1.240 173.680 174.900 0.034 0.000 1.298 40 G CA -0.520 44.589 45.100 0.014 0.000 0.855 40 G HN 0.108 nan 8.290 nan 0.000 0.560 41 Q N -0.431 119.379 119.800 0.018 0.000 2.256 41 Q HA 0.250 4.591 4.340 0.001 0.000 0.254 41 Q C 0.047 176.055 176.000 0.014 0.000 0.916 41 Q CA -0.651 55.181 55.803 0.048 0.000 0.932 41 Q CB 1.914 30.673 28.738 0.035 0.000 1.207 41 Q HN 0.603 nan 8.270 nan 0.000 0.426 42 W N 4.090 125.300 121.300 -0.150 0.000 2.381 42 W HA -0.001 4.659 4.660 0.000 0.000 0.321 42 W C -0.734 175.707 176.519 -0.130 0.000 1.407 42 W CA 0.460 57.652 57.345 -0.255 0.000 1.274 42 W CB 0.671 29.871 29.460 -0.434 0.000 1.310 42 W HN 0.604 nan 8.180 nan 0.000 0.551 43 D N 5.818 125.924 120.400 -0.490 0.000 2.414 43 D HA 0.064 4.704 4.640 0.001 0.000 0.232 43 D C 1.112 177.167 176.300 -0.409 0.000 1.070 43 D CA -0.267 53.540 54.000 -0.322 0.000 0.839 43 D CB 1.214 41.839 40.800 -0.293 0.000 1.079 43 D HN 0.503 nan 8.370 nan 0.000 0.521 44 K N 1.411 121.721 120.400 -0.150 0.000 2.486 44 K HA 0.018 4.339 4.320 0.001 0.000 0.194 44 K C 0.270 176.714 176.600 -0.259 0.000 1.033 44 K CA -0.049 56.181 56.287 -0.096 0.000 1.004 44 K CB 0.210 32.753 32.500 0.072 0.000 0.798 44 K HN 0.121 nan 8.250 nan 0.000 0.495 45 S N 1.098 116.610 115.700 -0.313 0.000 2.707 45 S HA 0.434 4.905 4.470 0.001 0.000 0.303 45 S C -0.918 173.402 174.600 -0.466 0.000 1.132 45 S CA -0.992 56.980 58.200 -0.380 0.000 1.046 45 S CB 0.823 63.880 63.200 -0.237 0.000 1.004 45 S HN 0.173 nan 8.310 nan 0.000 0.483 46 I N 4.351 124.495 120.570 -0.711 0.000 2.378 46 I HA 0.375 4.545 4.170 0.001 0.000 0.291 46 I C 0.021 175.776 176.117 -0.602 0.000 0.992 46 I CA -0.238 60.673 61.300 -0.648 0.000 1.154 46 I CB 1.619 39.109 38.000 -0.850 0.000 1.315 46 I HN 0.634 nan 8.210 nan 0.000 0.448 47 T N 6.899 121.232 114.554 -0.368 0.000 2.779 47 T HA 0.521 4.872 4.350 0.001 0.000 0.280 47 T C -0.326 174.290 174.700 -0.140 0.000 0.987 47 T CA -0.304 61.616 62.100 -0.300 0.000 0.966 47 T CB 0.581 69.363 68.868 -0.145 0.000 0.933 47 T HN 0.043 nan 8.240 nan 0.000 0.442 48 F N 1.805 121.773 119.950 0.031 0.000 2.394 48 F HA 0.550 5.077 4.527 0.001 0.000 0.340 48 F C 1.192 177.012 175.800 0.033 0.000 1.105 48 F CA -1.457 56.594 58.000 0.086 0.000 1.124 48 F CB 0.563 39.617 39.000 0.091 0.000 1.145 48 F HN 0.602 nan 8.300 nan 0.000 0.505 49 G N 1.914 110.842 108.800 0.214 0.000 2.353 49 G HA2 0.540 4.501 3.960 0.001 0.000 0.284 49 G HA3 0.540 4.501 3.960 0.001 0.000 0.284 49 G C -0.905 174.045 174.900 0.083 0.000 1.172 49 G CA -0.515 44.641 45.100 0.093 0.000 0.854 49 G HN 0.732 nan 8.290 nan 0.000 0.485 50 V N -0.048 119.916 119.914 0.083 0.000 2.962 50 V HA 0.803 4.923 4.120 0.001 0.000 0.313 50 V C 0.353 176.517 176.094 0.117 0.000 1.099 50 V CA -1.007 61.344 62.300 0.085 0.000 0.971 50 V CB 1.415 33.284 31.823 0.077 0.000 1.028 50 V HN 0.898 nan 8.190 nan 0.000 0.430 51 S N 0.832 116.609 115.700 0.128 0.000 2.525 51 S HA 0.059 4.530 4.470 0.001 0.000 0.285 51 S C 0.975 175.703 174.600 0.213 0.000 1.283 51 S CA 0.822 59.113 58.200 0.153 0.000 1.072 51 S CB 0.371 63.662 63.200 0.151 0.000 0.867 51 S HN 1.049 nan 8.310 nan 0.000 0.492 52 E N 4.368 124.654 120.200 0.142 0.000 2.058 52 E HA -0.147 4.203 4.350 0.001 0.000 0.194 52 E C 2.193 178.870 176.600 0.127 0.000 0.997 52 E CA 1.504 57.976 56.400 0.120 0.000 0.801 52 E CB -0.447 29.297 29.700 0.075 0.000 0.746 52 E HN 0.910 nan 8.360 nan 0.000 0.450 53 A N 0.520 123.418 122.820 0.129 0.000 1.873 53 A HA -0.238 4.082 4.320 0.001 0.000 0.218 53 A C 1.957 179.630 177.584 0.148 0.000 1.193 53 A CA 1.775 53.882 52.037 0.117 0.000 0.629 53 A CB -1.356 17.714 19.000 0.117 0.000 0.826 53 A HN 0.687 nan 8.150 nan 0.000 0.447 54 W N 0.007 121.327 121.300 0.032 0.000 2.354 54 W HA -0.132 4.529 4.660 0.001 0.000 0.315 54 W C 1.855 178.401 176.519 0.044 0.000 1.206 54 W CA 1.903 59.269 57.345 0.035 0.000 1.290 54 W CB -0.427 29.057 29.460 0.040 0.000 1.152 54 W HN 0.282 nan 8.180 nan 0.000 0.489 55 L N 1.542 122.947 121.223 0.303 0.000 2.056 55 L HA -0.125 4.216 4.340 0.001 0.000 0.207 55 L C 1.709 178.522 176.870 -0.096 0.000 1.078 55 L CA 1.922 56.802 54.840 0.066 0.000 0.749 55 L CB -1.006 41.224 42.059 0.286 0.000 0.901 55 L HN 0.004 nan 8.230 nan 0.000 0.433 56 N N 0.289 118.978 118.700 -0.017 0.000 2.501 56 N HA -0.073 4.667 4.740 0.001 0.000 0.195 56 N C 0.259 175.725 175.510 -0.074 0.000 1.213 56 N CA 0.167 53.196 53.050 -0.035 0.000 0.864 56 N CB -0.043 38.447 38.487 0.006 0.000 0.999 56 N HN 0.447 nan 8.380 nan 0.000 0.454 57 K N 1.936 122.249 120.400 -0.145 0.000 2.154 57 K HA 0.146 4.466 4.320 0.001 0.000 0.264 57 K C -0.038 176.458 176.600 -0.172 0.000 1.008 57 K CA -0.256 55.936 56.287 -0.158 0.000 0.937 57 K CB 0.781 33.146 32.500 -0.225 0.000 1.002 57 K HN -0.020 nan 8.250 nan 0.000 0.469 58 K N 1.355 121.689 120.400 -0.111 0.000 2.571 58 K HA 0.374 4.695 4.320 0.001 0.000 0.289 58 K C -1.789 174.781 176.600 -0.050 0.000 1.028 58 K CA -1.198 55.036 56.287 -0.088 0.000 0.895 58 K CB 1.509 33.970 32.500 -0.064 0.000 1.534 58 K HN 0.451 nan 8.250 nan 0.000 0.421 59 K N -0.203 120.176 120.400 -0.035 0.000 2.482 59 K HA 0.385 4.706 4.320 0.001 0.000 0.251 59 K C -0.102 176.497 176.600 -0.003 0.000 0.936 59 K CA 0.032 56.313 56.287 -0.009 0.000 0.791 59 K CB 1.639 34.139 32.500 -0.000 0.000 1.213 59 K HN 0.927 nan 8.250 nan 0.000 0.428 60 G N 2.401 111.204 108.800 0.006 0.000 2.321 60 G HA2 -0.258 3.703 3.960 0.001 0.000 0.287 60 G HA3 -0.258 3.703 3.960 0.001 0.000 0.287 60 G C 0.747 175.647 174.900 0.000 0.000 1.018 60 G CA 0.843 45.947 45.100 0.007 0.000 0.855 60 G HN 1.420 nan 8.290 nan 0.000 0.507 61 G N -1.019 107.778 108.800 -0.005 0.000 2.162 61 G HA2 -0.174 3.787 3.960 0.001 0.000 0.260 61 G HA3 -0.174 3.787 3.960 0.001 0.000 0.260 61 G C 0.191 175.082 174.900 -0.015 0.000 0.976 61 G CA 1.196 46.291 45.100 -0.009 0.000 0.655 61 G HN 1.969 nan 8.290 nan 0.000 0.533 62 E N 0.560 120.749 120.200 -0.018 0.000 2.081 62 E HA 0.526 4.876 4.350 0.001 0.000 0.276 62 E C -0.247 176.327 176.600 -0.043 0.000 0.950 62 E CA -0.966 55.419 56.400 -0.024 0.000 0.776 62 E CB 1.197 30.887 29.700 -0.017 0.000 1.094 62 E HN 0.202 nan 8.360 nan 0.000 0.402 63 K N 2.956 123.328 120.400 -0.048 0.000 2.336 63 K HA 0.065 4.386 4.320 0.001 0.000 0.290 63 K C 0.576 177.127 176.600 -0.082 0.000 1.067 63 K CA -0.076 56.166 56.287 -0.075 0.000 0.962 63 K CB 0.769 33.231 32.500 -0.063 0.000 1.008 63 K HN 0.506 nan 8.250 nan 0.000 0.467 64 V N 0.424 120.268 119.914 -0.116 0.000 3.570 64 V HA -0.031 4.090 4.120 0.001 0.000 0.257 64 V C 1.451 177.460 176.094 -0.141 0.000 1.272 64 V CA 0.013 62.256 62.300 -0.095 0.000 1.079 64 V CB -0.129 31.652 31.823 -0.070 0.000 0.829 64 V HN 0.559 nan 8.190 nan 0.000 0.454 65 N N 1.505 120.024 118.700 -0.302 0.000 2.120 65 N HA -0.116 4.625 4.740 0.001 0.000 0.188 65 N C 1.770 177.132 175.510 -0.247 0.000 1.024 65 N CA 1.427 54.158 53.050 -0.531 0.000 0.852 65 N CB -0.275 37.419 38.487 -1.322 0.000 1.003 65 N HN 0.427 nan 8.380 nan 0.000 0.424 66 K N 0.941 121.243 120.400 -0.164 0.000 2.160 66 K HA -0.158 4.163 4.320 0.001 0.000 0.206 66 K C 1.704 178.324 176.600 0.034 0.000 1.047 66 K CA 0.882 57.155 56.287 -0.023 0.000 0.930 66 K CB -0.048 32.437 32.500 -0.025 0.000 0.720 66 K HN 0.410 nan 8.250 nan 0.000 0.450 67 E N 0.422 120.630 120.200 0.013 0.000 2.299 67 E HA -0.076 4.274 4.350 0.001 0.000 0.193 67 E C 1.854 178.507 176.600 0.089 0.000 0.998 67 E CA 0.165 56.592 56.400 0.044 0.000 0.851 67 E CB 0.367 30.079 29.700 0.020 0.000 0.795 67 E HN -0.028 nan 8.360 nan 0.000 0.492 68 V N 1.027 121.009 119.914 0.114 0.000 2.379 68 V HA -0.196 3.924 4.120 0.001 0.000 0.245 68 V C 2.267 178.529 176.094 0.280 0.000 1.044 68 V CA 1.354 63.773 62.300 0.198 0.000 1.036 68 V CB -0.171 31.802 31.823 0.250 0.000 0.664 68 V HN 0.329 nan 8.190 nan 0.000 0.453 69 I N -0.202 120.554 120.570 0.311 0.000 2.676 69 I HA -0.184 3.987 4.170 0.001 0.000 0.259 69 I C 2.250 178.525 176.117 0.263 0.000 1.194 69 I CA 1.083 62.565 61.300 0.303 0.000 1.473 69 I CB -0.237 37.927 38.000 0.273 0.000 1.096 69 I HN 0.380 nan 8.210 nan 0.000 0.443 70 N N -0.260 118.550 118.700 0.182 0.000 2.084 70 N HA -0.218 4.523 4.740 0.001 0.000 0.190 70 N C 1.893 177.479 175.510 0.127 0.000 1.030 70 N CA 2.082 55.208 53.050 0.127 0.000 0.849 70 N CB -0.001 38.538 38.487 0.086 0.000 1.012 70 N HN 0.430 nan 8.380 nan 0.000 0.423 71 T N -1.251 113.391 114.554 0.146 0.000 2.951 71 T HA -0.123 4.227 4.350 0.001 0.000 0.268 71 T C 1.774 176.569 174.700 0.158 0.000 1.073 71 T CA 0.513 62.689 62.100 0.126 0.000 1.134 71 T CB -0.520 68.420 68.868 0.119 0.000 0.884 71 T HN 0.207 nan 8.240 nan 0.000 0.479 72 F N 1.981 121.979 119.950 0.080 0.000 2.102 72 F HA 0.148 4.675 4.527 0.000 0.000 0.298 72 F C 1.894 177.731 175.800 0.062 0.000 1.105 72 F CA 1.033 59.082 58.000 0.081 0.000 1.239 72 F CB -0.477 38.576 39.000 0.088 0.000 0.991 72 F HN 0.120 nan 8.300 nan 0.000 0.474 73 L N 0.046 121.253 121.223 -0.027 0.000 2.083 73 L HA -0.175 4.165 4.340 0.001 0.000 0.209 73 L C 2.622 179.440 176.870 -0.087 0.000 1.083 73 L CA 1.546 56.309 54.840 -0.128 0.000 0.752 73 L CB -0.831 41.239 42.059 0.019 0.000 0.899 73 L HN 0.201 nan 8.230 nan 0.000 0.433 74 E N 0.621 120.807 120.200 -0.024 0.000 2.072 74 E HA -0.193 4.158 4.350 0.001 0.000 0.191 74 E C 1.793 178.366 176.600 -0.045 0.000 0.985 74 E CA 1.188 57.583 56.400 -0.009 0.000 0.801 74 E CB 0.027 29.736 29.700 0.016 0.000 0.750 74 E HN 0.485 nan 8.360 nan 0.000 0.452 75 N N 0.142 118.795 118.700 -0.077 0.000 2.142 75 N HA -0.122 4.618 4.740 0.001 0.000 0.186 75 N C 1.633 177.015 175.510 -0.213 0.000 1.023 75 N CA 0.640 53.624 53.050 -0.110 0.000 0.852 75 N CB -0.734 37.709 38.487 -0.073 0.000 0.998 75 N HN 0.135 nan 8.380 nan 0.000 0.424 76 F N 2.035 121.677 119.950 -0.515 0.000 2.126 76 F HA -0.154 4.373 4.527 0.001 0.000 0.299 76 F C 2.317 177.791 175.800 -0.543 0.000 1.096 76 F CA 1.463 59.041 58.000 -0.704 0.000 1.255 76 F CB -0.027 38.300 39.000 -1.121 0.000 0.997 76 F HN -0.036 nan 8.300 nan 0.000 0.479 77 K N 0.227 120.551 120.400 -0.127 0.000 2.057 77 K HA -0.246 4.075 4.320 0.001 0.000 0.207 77 K C 2.228 178.882 176.600 0.090 0.000 1.049 77 K CA 1.660 58.008 56.287 0.103 0.000 0.931 77 K CB -0.168 32.454 32.500 0.203 0.000 0.714 77 K HN 0.092 nan 8.250 nan 0.000 0.440 78 K N 0.825 121.223 120.400 -0.003 0.000 2.009 78 K HA -0.207 4.114 4.320 0.001 0.000 0.210 78 K C 2.097 178.674 176.600 -0.037 0.000 1.049 78 K CA 1.985 58.269 56.287 -0.006 0.000 0.929 78 K CB -0.152 32.330 32.500 -0.031 0.000 0.714 78 K HN 0.127 nan 8.250 nan 0.000 0.440 79 E N -0.186 119.935 120.200 -0.132 0.000 2.077 79 E HA -0.183 4.167 4.350 0.001 0.000 0.193 79 E C 1.750 178.254 176.600 -0.159 0.000 0.989 79 E CA 1.361 57.652 56.400 -0.182 0.000 0.800 79 E CB -0.368 29.151 29.700 -0.301 0.000 0.746 79 E HN 0.325 nan 8.360 nan 0.000 0.452 80 F N 1.199 120.954 119.950 -0.325 0.000 2.069 80 F HA -0.202 4.325 4.527 0.001 0.000 0.298 80 F C 1.862 177.665 175.800 0.005 0.000 1.113 80 F CA 2.003 59.895 58.000 -0.180 0.000 1.214 80 F CB -0.294 38.663 39.000 -0.071 0.000 0.978 80 F HN 0.070 nan 8.300 nan 0.000 0.474 81 N N 0.665 119.502 118.700 0.228 0.000 2.396 81 N HA -0.161 4.580 4.740 0.001 0.000 0.180 81 N C 1.830 177.344 175.510 0.007 0.000 1.028 81 N CA 0.996 54.141 53.050 0.157 0.000 0.893 81 N CB -0.341 38.303 38.487 0.262 0.000 0.967 81 N HN 0.440 nan 8.380 nan 0.000 0.440 82 K N 1.678 122.066 120.400 -0.020 0.000 2.009 82 K HA -0.083 4.238 4.320 0.001 0.000 0.210 82 K C 2.035 178.585 176.600 -0.083 0.000 1.049 82 K CA 0.979 57.239 56.287 -0.046 0.000 0.929 82 K CB -0.170 32.300 32.500 -0.050 0.000 0.714 82 K HN 0.036 nan 8.250 nan 0.000 0.440 83 L N 1.298 122.439 121.223 -0.138 0.000 2.046 83 L HA -0.182 4.159 4.340 0.001 0.000 0.208 83 L C 2.862 179.635 176.870 -0.162 0.000 1.077 83 L CA 1.530 56.277 54.840 -0.154 0.000 0.747 83 L CB -0.611 41.327 42.059 -0.202 0.000 0.896 83 L HN 0.326 nan 8.230 nan 0.000 0.432 84 K N 0.421 120.672 120.400 -0.248 0.000 2.032 84 K HA -0.212 4.109 4.320 0.001 0.000 0.209 84 K C 1.722 178.286 176.600 -0.061 0.000 1.048 84 K CA 1.786 57.968 56.287 -0.176 0.000 0.927 84 K CB -0.090 32.295 32.500 -0.191 0.000 0.712 84 K HN 0.318 nan 8.250 nan 0.000 0.441 85 N N 0.282 118.955 118.700 -0.045 0.000 2.457 85 N HA -0.030 4.710 4.740 0.001 0.000 0.180 85 N C 1.238 176.727 175.510 -0.035 0.000 1.050 85 N CA 0.858 53.893 53.050 -0.026 0.000 0.906 85 N CB 0.192 38.676 38.487 -0.006 0.000 0.968 85 N HN 0.295 nan 8.380 nan 0.000 0.445 86 A N -0.076 122.718 122.820 -0.044 0.000 2.218 86 A HA 0.097 4.418 4.320 0.001 0.000 0.209 86 A C 0.523 178.085 177.584 -0.036 0.000 1.168 86 A CA 0.141 52.155 52.037 -0.038 0.000 0.804 86 A CB 0.084 19.060 19.000 -0.041 0.000 0.834 86 A HN 0.076 nan 8.150 nan 0.000 0.482 87 N N 0.648 119.325 118.700 -0.039 0.000 2.392 87 N HA 0.141 4.881 4.740 0.001 0.000 0.283 87 N C -0.594 174.897 175.510 -0.032 0.000 1.003 87 N CA -0.361 52.672 53.050 -0.029 0.000 0.892 87 N CB 1.433 39.906 38.487 -0.023 0.000 1.193 87 N HN 0.193 nan 8.380 nan 0.000 0.487 88 D N 1.513 121.894 120.400 -0.032 0.000 2.178 88 D HA -0.172 4.468 4.640 0.001 0.000 0.201 88 D C 1.305 177.574 176.300 -0.052 0.000 0.980 88 D CA 1.204 55.177 54.000 -0.045 0.000 0.842 88 D CB 0.502 41.279 40.800 -0.038 0.000 0.948 88 D HN 0.491 nan 8.370 nan 0.000 0.472 89 K N 0.420 120.806 120.400 -0.024 0.000 2.362 89 K HA -0.087 4.233 4.320 0.001 0.000 0.200 89 K C 1.459 178.067 176.600 0.014 0.000 1.046 89 K CA 1.259 57.543 56.287 -0.004 0.000 0.952 89 K CB 0.240 32.761 32.500 0.034 0.000 0.753 89 K HN 0.196 nan 8.250 nan 0.000 0.466 90 T N -2.734 111.822 114.554 0.004 0.000 3.016 90 T HA 0.082 4.433 4.350 0.001 0.000 0.271 90 T C 1.258 175.921 174.700 -0.062 0.000 0.968 90 T CA -0.512 61.621 62.100 0.055 0.000 0.891 90 T CB 0.191 69.125 68.868 0.110 0.000 1.149 90 T HN 0.110 nan 8.240 nan 0.000 0.524 91 K N 1.976 122.321 120.400 -0.091 0.000 2.280 91 K HA -0.056 4.264 4.320 0.001 0.000 0.202 91 K C 0.892 177.405 176.600 -0.144 0.000 1.047 91 K CA 1.163 57.396 56.287 -0.090 0.000 0.942 91 K CB -0.449 32.006 32.500 -0.074 0.000 0.739 91 K HN 0.225 nan 8.250 nan 0.000 0.457 92 N N 0.109 118.651 118.700 -0.264 0.000 2.398 92 N HA 0.080 4.820 4.740 0.001 0.000 0.188 92 N C -0.207 175.052 175.510 -0.419 0.000 1.122 92 N CA 0.122 52.981 53.050 -0.318 0.000 0.866 92 N CB -0.039 38.230 38.487 -0.363 0.000 0.970 92 N HN 0.052 nan 8.380 nan 0.000 0.462 93 F N 1.443 121.114 119.950 -0.466 0.000 2.399 93 F HA 0.125 4.652 4.527 0.001 0.000 0.313 93 F C 1.162 176.748 175.800 -0.358 0.000 1.202 93 F CA -0.552 57.021 58.000 -0.713 0.000 1.192 93 F CB 0.399 38.282 39.000 -1.862 0.000 1.256 93 F HN -0.179 nan 8.300 nan 0.000 0.558 94 D N 0.935 121.364 120.400 0.048 0.000 2.414 94 D HA 0.025 4.665 4.640 0.001 0.000 0.242 94 D C -0.436 176.092 176.300 0.379 0.000 1.129 94 D CA 0.026 54.149 54.000 0.204 0.000 0.885 94 D CB 0.304 41.252 40.800 0.246 0.000 1.198 94 D HN 0.314 nan 8.370 nan 0.000 0.437 95 D N 0.104 120.662 120.400 0.263 0.000 2.419 95 D HA 0.076 4.716 4.640 0.001 0.000 0.236 95 D C -0.250 176.212 176.300 0.270 0.000 1.165 95 D CA 0.226 54.405 54.000 0.298 0.000 0.882 95 D CB 0.712 41.623 40.800 0.186 0.000 1.201 95 D HN -0.094 nan 8.370 nan 0.000 0.443 96 V N 2.507 122.574 119.914 0.255 0.000 2.555 96 V HA 0.267 4.387 4.120 0.001 0.000 0.302 96 V C 0.094 176.038 176.094 -0.249 0.000 1.038 96 V CA -0.821 61.418 62.300 -0.101 0.000 0.887 96 V CB 2.077 33.649 31.823 -0.418 0.000 0.991 96 V HN 0.420 nan 8.190 nan 0.000 0.434 97 D N 2.178 122.335 120.400 -0.405 0.000 2.181 97 D HA 0.551 5.191 4.640 0.001 0.000 0.248 97 D C -1.103 174.769 176.300 -0.714 0.000 1.020 97 D CA 0.007 53.809 54.000 -0.328 0.000 0.891 97 D CB 2.098 42.787 40.800 -0.186 0.000 1.187 97 D HN 0.271 nan 8.370 nan 0.000 0.443 98 F N 0.990 120.776 119.950 -0.273 0.000 2.495 98 F HA 0.401 4.928 4.527 0.000 0.000 0.327 98 F C 0.683 176.273 175.800 -0.351 0.000 1.103 98 F CA -0.656 57.079 58.000 -0.442 0.000 0.949 98 F CB 1.755 40.445 39.000 -0.516 0.000 1.142 98 F HN -0.088 nan 8.300 nan 0.000 0.457 99 K N 1.616 121.851 120.400 -0.275 0.000 2.466 99 K HA 0.862 5.182 4.320 0.001 0.000 0.260 99 K C -1.378 175.128 176.600 -0.157 0.000 1.011 99 K CA -1.225 54.963 56.287 -0.164 0.000 0.871 99 K CB 2.760 35.175 32.500 -0.141 0.000 1.404 99 K HN 0.405 nan 8.250 nan 0.000 0.450 100 V N -2.645 117.251 119.914 -0.030 0.000 3.046 100 V HA 0.783 4.903 4.120 0.001 0.000 0.316 100 V C -0.866 175.245 176.094 0.029 0.000 1.104 100 V CA -0.448 61.875 62.300 0.038 0.000 1.006 100 V CB 1.939 33.823 31.823 0.102 0.000 1.058 100 V HN 0.799 nan 8.190 nan 0.000 0.440 101 T N 3.344 117.928 114.554 0.050 0.000 2.921 101 T HA 0.659 5.010 4.350 0.001 0.000 0.297 101 T C -3.115 171.621 174.700 0.060 0.000 1.013 101 T CA -1.393 60.731 62.100 0.040 0.000 0.990 101 T CB 2.144 71.022 68.868 0.017 0.000 1.023 101 T HN 0.887 nan 8.240 nan 0.000 0.447 102 P HA 0.523 nan 4.420 nan 0.000 0.279 102 P C -1.056 176.275 177.300 0.051 0.000 1.239 102 P CA -0.509 62.636 63.100 0.076 0.000 0.789 102 P CB 0.818 32.564 31.700 0.076 0.000 0.933 103 I N 2.457 123.060 120.570 0.054 0.000 2.509 103 I HA 0.169 4.340 4.170 0.001 0.000 0.293 103 I C 1.555 177.692 176.117 0.034 0.000 1.020 103 I CA -0.505 60.812 61.300 0.028 0.000 1.088 103 I CB 1.798 39.805 38.000 0.011 0.000 1.267 103 I HN 0.220 nan 8.210 nan 0.000 0.430 104 Q N 2.861 122.671 119.800 0.017 0.000 1.967 104 Q HA -0.145 4.196 4.340 0.001 0.000 0.210 104 Q C 0.108 176.125 176.000 0.028 0.000 1.005 104 Q CA 2.118 57.932 55.803 0.017 0.000 0.862 104 Q CB -0.135 28.601 28.738 -0.004 0.000 0.939 104 Q HN 0.792 nan 8.270 nan 0.000 0.417 105 D N -2.606 117.798 120.400 0.008 0.000 2.677 105 D HA 0.016 4.657 4.640 0.001 0.000 0.298 105 D C 0.298 176.606 176.300 0.014 0.000 1.250 105 D CA -0.514 53.510 54.000 0.041 0.000 0.888 105 D CB -0.092 40.734 40.800 0.043 0.000 1.397 105 D HN 0.179 nan 8.370 nan 0.000 0.461 106 F N -0.123 119.795 119.950 -0.053 0.000 2.333 106 F HA -0.068 4.459 4.527 0.001 0.000 0.300 106 F C 2.064 177.795 175.800 -0.115 0.000 1.083 106 F CA 1.792 59.735 58.000 -0.095 0.000 1.395 106 F CB -0.871 38.072 39.000 -0.095 0.000 1.056 106 F HN 0.370 nan 8.300 nan 0.000 0.529 107 T N -1.588 112.368 114.554 -0.996 0.000 2.857 107 T HA -0.092 4.258 4.350 0.001 0.000 0.266 107 T C 1.839 176.292 174.700 -0.413 0.000 1.048 107 T CA 1.321 62.873 62.100 -0.912 0.000 1.139 107 T CB -1.160 67.291 68.868 -0.695 0.000 0.874 107 T HN 0.232 nan 8.240 nan 0.000 0.455 108 V N 1.516 121.267 119.914 -0.272 0.000 2.427 108 V HA -0.021 4.100 4.120 0.001 0.000 0.248 108 V C 2.529 178.533 176.094 -0.150 0.000 1.051 108 V CA 1.358 63.564 62.300 -0.157 0.000 1.048 108 V CB -0.893 30.873 31.823 -0.096 0.000 0.666 108 V HN 0.376 nan 8.190 nan 0.000 0.456 109 L N -0.352 120.774 121.223 -0.162 0.000 2.027 109 L HA -0.089 4.252 4.340 0.001 0.000 0.206 109 L C 2.191 178.933 176.870 -0.214 0.000 1.074 109 L CA 1.886 56.639 54.840 -0.145 0.000 0.745 109 L CB -0.370 41.621 42.059 -0.112 0.000 0.898 109 L HN 0.178 nan 8.230 nan 0.000 0.433 110 L N -0.421 120.602 121.223 -0.332 0.000 2.072 110 L HA -0.149 4.191 4.340 0.001 0.000 0.205 110 L C 2.311 178.943 176.870 -0.396 0.000 1.079 110 L CA 0.916 55.417 54.840 -0.566 0.000 0.752 110 L CB -0.832 40.544 42.059 -1.138 0.000 0.906 110 L HN 0.366 nan 8.230 nan 0.000 0.436 111 N N 0.317 118.877 118.700 -0.233 0.000 2.120 111 N HA -0.156 4.584 4.740 0.001 0.000 0.188 111 N C 1.601 177.093 175.510 -0.029 0.000 1.024 111 N CA 1.199 54.227 53.050 -0.037 0.000 0.852 111 N CB -0.503 37.965 38.487 -0.032 0.000 1.003 111 N HN 0.310 nan 8.380 nan 0.000 0.424 112 N N 1.088 119.748 118.700 -0.067 0.000 2.142 112 N HA 0.002 4.743 4.740 0.001 0.000 0.186 112 N C 1.916 177.408 175.510 -0.029 0.000 1.023 112 N CA 0.408 53.434 53.050 -0.040 0.000 0.852 112 N CB -0.470 37.989 38.487 -0.046 0.000 0.998 112 N HN 0.227 nan 8.380 nan 0.000 0.424 113 L N 0.783 121.971 121.223 -0.057 0.000 2.131 113 L HA -0.138 4.202 4.340 0.001 0.000 0.210 113 L C 2.016 178.894 176.870 0.014 0.000 1.092 113 L CA 1.161 55.981 54.840 -0.033 0.000 0.759 113 L CB -0.495 41.516 42.059 -0.081 0.000 0.903 113 L HN 0.233 nan 8.230 nan 0.000 0.435 114 S N -1.887 113.837 115.700 0.040 0.000 2.515 114 S HA -0.121 4.349 4.470 0.001 0.000 0.231 114 S C 1.850 176.490 174.600 0.066 0.000 0.987 114 S CA 1.019 59.281 58.200 0.103 0.000 0.936 114 S CB -0.744 62.593 63.200 0.228 0.000 0.766 114 S HN 0.585 nan 8.310 nan 0.000 0.528 115 T N -1.601 112.977 114.554 0.040 0.000 3.088 115 T HA 0.054 4.404 4.350 0.001 0.000 0.259 115 T C 0.488 175.202 174.700 0.024 0.000 1.122 115 T CA 0.535 62.652 62.100 0.028 0.000 1.095 115 T CB -0.684 68.194 68.868 0.016 0.000 0.930 115 T HN 0.266 nan 8.240 nan 0.000 0.508 116 D N 1.553 121.970 120.400 0.028 0.000 2.705 116 D HA -0.156 4.484 4.640 0.001 0.000 0.240 116 D C -0.827 175.483 176.300 0.017 0.000 1.137 116 D CA 0.312 54.328 54.000 0.028 0.000 0.677 116 D CB -1.782 39.035 40.800 0.028 0.000 1.049 116 D HN 0.568 nan 8.370 nan 0.000 0.427 117 N N 0.422 119.128 118.700 0.011 0.000 2.419 117 N HA 0.287 5.027 4.740 0.001 0.000 0.277 117 N C -1.950 173.557 175.510 -0.005 0.000 1.006 117 N CA -1.751 51.299 53.050 0.001 0.000 0.923 117 N CB 1.626 40.112 38.487 -0.002 0.000 1.140 117 N HN -0.076 nan 8.380 nan 0.000 0.488 118 P HA -0.063 nan 4.420 nan 0.000 0.231 118 P C 0.387 177.659 177.300 -0.046 0.000 1.158 118 P CA 0.898 63.977 63.100 -0.035 0.000 0.763 118 P CB 0.266 31.940 31.700 -0.043 0.000 0.805 119 E N -1.093 119.087 120.200 -0.033 0.000 2.347 119 E HA 0.003 4.353 4.350 0.001 0.000 0.196 119 E C 0.437 177.018 176.600 -0.031 0.000 1.008 119 E CA 0.597 56.974 56.400 -0.037 0.000 0.852 119 E CB -0.356 29.328 29.700 -0.026 0.000 0.783 119 E HN 0.138 nan 8.360 nan 0.000 0.505 120 L N 0.910 122.124 121.223 -0.015 0.000 2.555 120 L HA 0.290 4.631 4.340 0.001 0.000 0.264 120 L C -0.992 175.901 176.870 0.038 0.000 0.972 120 L CA -0.164 54.680 54.840 0.006 0.000 0.876 120 L CB 1.958 44.018 42.059 0.002 0.000 1.216 120 L HN -0.112 nan 8.230 nan 0.000 0.415 121 D N 3.939 124.386 120.400 0.079 0.000 2.380 121 D HA 0.151 4.791 4.640 0.001 0.000 0.212 121 D C -0.387 176.089 176.300 0.294 0.000 1.021 121 D CA 0.936 55.037 54.000 0.169 0.000 0.884 121 D CB 1.040 41.927 40.800 0.145 0.000 1.001 121 D HN 0.300 nan 8.370 nan 0.000 0.506 122 F N 0.018 119.998 119.950 0.050 0.000 2.678 122 F HA 0.495 5.022 4.527 0.000 0.000 0.308 122 F C -1.260 174.511 175.800 -0.049 0.000 1.118 122 F CA -0.444 57.508 58.000 -0.080 0.000 0.959 122 F CB 2.037 40.993 39.000 -0.073 0.000 1.305 122 F HN -0.100 nan 8.300 nan 0.000 0.443 123 G N 3.809 112.034 108.800 -0.959 0.000 2.673 123 G HA2 0.567 4.528 3.960 0.001 0.000 0.292 123 G HA3 0.567 4.528 3.960 0.001 0.000 0.292 123 G C -2.263 172.092 174.900 -0.907 0.000 1.450 123 G CA -0.807 43.902 45.100 -0.651 0.000 0.837 123 G HN 0.710 nan 8.290 nan 0.000 0.505 124 I N 1.688 121.942 120.570 -0.527 0.000 2.354 124 I HA 0.374 4.544 4.170 0.001 0.000 0.292 124 I C -0.135 175.806 176.117 -0.294 0.000 0.989 124 I CA -0.788 60.234 61.300 -0.462 0.000 1.188 124 I CB 1.810 39.573 38.000 -0.394 0.000 1.342 124 I HN 0.354 nan 8.210 nan 0.000 0.457 125 N N 3.849 122.378 118.700 -0.285 0.000 2.265 125 N HA 0.561 5.302 4.740 0.001 0.000 0.300 125 N C -0.740 174.644 175.510 -0.209 0.000 1.148 125 N CA -0.523 52.405 53.050 -0.204 0.000 0.772 125 N CB 2.486 40.870 38.487 -0.172 0.000 1.434 125 N HN 0.669 nan 8.380 nan 0.000 0.481 126 A N 1.018 123.704 122.820 -0.223 0.000 2.540 126 A HA 0.087 4.407 4.320 0.001 0.000 0.239 126 A C 1.482 178.973 177.584 -0.154 0.000 1.061 126 A CA 0.437 52.337 52.037 -0.229 0.000 0.758 126 A CB -0.020 18.826 19.000 -0.258 0.000 0.991 126 A HN 0.802 nan 8.150 nan 0.000 0.502 127 S N 2.800 118.445 115.700 -0.092 0.000 2.368 127 S HA -0.077 4.393 4.470 0.001 0.000 0.224 127 S C 1.888 176.395 174.600 -0.155 0.000 1.029 127 S CA 1.397 59.565 58.200 -0.053 0.000 0.988 127 S CB -0.897 62.319 63.200 0.026 0.000 0.838 127 S HN 1.195 nan 8.310 nan 0.000 0.462 128 G N 1.755 110.465 108.800 -0.151 0.000 2.402 128 G HA2 -0.104 3.856 3.960 0.001 0.000 0.216 128 G HA3 -0.104 3.856 3.960 0.001 0.000 0.216 128 G C 1.534 176.241 174.900 -0.323 0.000 1.162 128 G CA 0.688 45.513 45.100 -0.459 0.000 0.777 128 G HN 0.570 nan 8.290 nan 0.000 0.539 129 K N -0.441 119.855 120.400 -0.173 0.000 2.103 129 K HA -0.032 4.288 4.320 0.001 0.000 0.207 129 K C 2.322 178.939 176.600 0.028 0.000 1.048 129 K CA 1.007 57.231 56.287 -0.104 0.000 0.930 129 K CB -0.220 32.045 32.500 -0.392 0.000 0.716 129 K HN 0.305 nan 8.250 nan 0.000 0.444 130 L N 0.512 121.723 121.223 -0.021 0.000 2.072 130 L HA -0.110 4.230 4.340 0.001 0.000 0.205 130 L C 1.915 178.877 176.870 0.153 0.000 1.079 130 L CA 1.319 56.210 54.840 0.085 0.000 0.752 130 L CB -0.185 41.905 42.059 0.051 0.000 0.906 130 L HN -0.126 nan 8.230 nan 0.000 0.436 131 V N 0.233 120.146 119.914 -0.001 0.000 2.332 131 V HA -0.246 3.875 4.120 0.001 0.000 0.248 131 V C 2.667 178.784 176.094 0.039 0.000 1.055 131 V CA 1.961 64.254 62.300 -0.011 0.000 1.038 131 V CB -0.726 30.881 31.823 -0.360 0.000 0.651 131 V HN 0.491 nan 8.190 nan 0.000 0.450 132 E N -0.509 119.693 120.200 0.004 0.000 2.077 132 E HA -0.235 4.115 4.350 0.001 0.000 0.193 132 E C 2.061 178.754 176.600 0.154 0.000 0.989 132 E CA 1.438 57.899 56.400 0.101 0.000 0.800 132 E CB -0.440 29.334 29.700 0.124 0.000 0.746 132 E HN 0.633 nan 8.360 nan 0.000 0.452 133 F N 1.561 121.547 119.950 0.060 0.000 2.095 133 F HA -0.173 4.355 4.527 0.001 0.000 0.298 133 F C 2.183 178.012 175.800 0.048 0.000 1.104 133 F CA 1.258 59.295 58.000 0.062 0.000 1.232 133 F CB -0.153 38.890 39.000 0.072 0.000 0.987 133 F HN -0.087 nan 8.300 nan 0.000 0.475 134 L N 0.025 121.359 121.223 0.185 0.000 2.376 134 L HA -0.140 4.201 4.340 0.001 0.000 0.219 134 L C 2.256 179.141 176.870 0.025 0.000 1.133 134 L CA 0.539 55.431 54.840 0.085 0.000 0.816 134 L CB -0.515 41.659 42.059 0.192 0.000 0.933 134 L HN 0.058 nan 8.230 nan 0.000 0.449 135 K N 0.051 120.475 120.400 0.040 0.000 2.097 135 K HA -0.066 4.254 4.320 0.001 0.000 0.205 135 K C 1.519 178.101 176.600 -0.031 0.000 1.050 135 K CA 0.979 57.283 56.287 0.029 0.000 0.938 135 K CB -0.306 32.229 32.500 0.057 0.000 0.718 135 K HN 0.357 nan 8.250 nan 0.000 0.442 136 N N 1.139 119.782 118.700 -0.094 0.000 2.416 136 N HA -0.056 4.685 4.740 0.001 0.000 0.177 136 N C -0.273 175.115 175.510 -0.204 0.000 1.036 136 N CA 0.583 53.552 53.050 -0.135 0.000 0.901 136 N CB 0.084 38.481 38.487 -0.151 0.000 0.976 136 N HN 0.176 nan 8.380 nan 0.000 0.444 137 N N 0.124 118.648 118.700 -0.293 0.000 2.711 137 N HA 0.276 5.017 4.740 0.001 0.000 0.263 137 N C -2.916 172.498 175.510 -0.159 0.000 1.667 137 N CA -0.966 51.915 53.050 -0.282 0.000 0.785 137 N CB 1.627 39.817 38.487 -0.494 0.000 1.231 137 N HN -0.006 nan 8.380 nan 0.000 0.503 138 P HA 0.141 nan 4.420 nan 0.000 0.267 138 P C 1.137 178.430 177.300 -0.011 0.000 1.200 138 P CA 0.527 63.614 63.100 -0.020 0.000 0.772 138 P CB 0.659 32.358 31.700 -0.002 0.000 0.855 139 G N 2.427 111.228 108.800 0.001 0.000 2.205 139 G HA2 -0.362 3.599 3.960 0.001 0.000 0.269 139 G HA3 -0.362 3.599 3.960 0.001 0.000 0.269 139 G C 0.919 175.826 174.900 0.012 0.000 0.977 139 G CA 0.510 45.612 45.100 0.002 0.000 0.652 139 G HN 0.582 nan 8.290 nan 0.000 0.539 140 I N 0.681 121.266 120.570 0.023 0.000 2.546 140 I HA 0.233 4.404 4.170 0.001 0.000 0.255 140 I C 1.389 177.551 176.117 0.076 0.000 1.163 140 I CA 1.444 62.775 61.300 0.051 0.000 1.457 140 I CB -0.024 38.014 38.000 0.063 0.000 1.092 140 I HN 0.496 nan 8.210 nan 0.000 0.434 141 I N -4.045 116.569 120.570 0.073 0.000 3.191 141 I HA 0.411 4.582 4.170 0.001 0.000 0.313 141 I C -0.932 175.184 176.117 -0.003 0.000 1.193 141 I CA -0.701 60.631 61.300 0.053 0.000 0.968 141 I CB 2.131 40.161 38.000 0.049 0.000 1.262 141 I HN -0.412 nan 8.210 nan 0.000 0.456 142 T N 3.358 117.925 114.554 0.022 0.000 2.842 142 T HA 0.458 4.808 4.350 0.001 0.000 0.308 142 T C -2.669 172.030 174.700 -0.002 0.000 1.041 142 T CA -1.138 60.968 62.100 0.010 0.000 0.964 142 T CB 1.013 69.944 68.868 0.106 0.000 0.972 142 T HN 0.414 nan 8.240 nan 0.000 0.460 143 P HA 0.431 nan 4.420 nan 0.000 0.276 143 P C -0.056 177.266 177.300 0.037 0.000 1.235 143 P CA -0.240 62.755 63.100 -0.175 0.000 0.772 143 P CB 1.078 32.437 31.700 -0.568 0.000 0.871 144 A N 3.322 126.228 122.820 0.143 0.000 2.150 144 A HA 0.272 4.593 4.320 0.001 0.000 0.191 144 A C -0.066 177.641 177.584 0.206 0.000 1.591 144 A CA 0.334 52.517 52.037 0.242 0.000 1.142 144 A CB -0.071 19.225 19.000 0.494 0.000 1.326 144 A HN 0.468 nan 8.150 nan 0.000 0.470 145 L N 0.343 121.652 121.223 0.142 0.000 2.386 145 L HA 0.659 5.000 4.340 0.001 0.000 0.271 145 L C -0.721 176.177 176.870 0.046 0.000 0.993 145 L CA -0.319 54.576 54.840 0.091 0.000 0.819 145 L CB 1.986 44.057 42.059 0.020 0.000 1.294 145 L HN 0.256 nan 8.230 nan 0.000 0.414 146 E N 2.438 122.679 120.200 0.068 0.000 2.171 146 E HA 0.452 4.802 4.350 0.001 0.000 0.271 146 E C -0.944 175.657 176.600 0.001 0.000 0.916 146 E CA -0.646 55.776 56.400 0.036 0.000 0.774 146 E CB 1.289 31.032 29.700 0.071 0.000 1.128 146 E HN 0.745 nan 8.360 nan 0.000 0.403 147 T N 1.097 115.593 114.554 -0.097 0.000 2.899 147 T HA 0.477 4.827 4.350 0.001 0.000 0.284 147 T C 0.313 174.938 174.700 -0.124 0.000 1.004 147 T CA -0.568 61.403 62.100 -0.214 0.000 1.043 147 T CB 1.449 70.033 68.868 -0.475 0.000 1.013 147 T HN 0.491 nan 8.240 nan 0.000 0.518 148 T N -1.696 112.709 114.554 -0.249 0.000 2.916 148 T HA 0.697 5.047 4.350 0.001 0.000 0.292 148 T C -0.479 173.958 174.700 -0.438 0.000 1.064 148 T CA -0.820 61.108 62.100 -0.287 0.000 1.011 148 T CB 1.910 70.654 68.868 -0.206 0.000 1.152 148 T HN 0.850 nan 8.240 nan 0.000 0.510 149 T N 0.799 114.990 114.554 -0.605 0.000 2.906 149 T HA 0.462 4.813 4.350 0.001 0.000 0.295 149 T C -0.788 173.622 174.700 -0.482 0.000 1.061 149 T CA -0.783 60.930 62.100 -0.645 0.000 1.000 149 T CB 0.933 69.128 68.868 -1.120 0.000 1.103 149 T HN 0.660 nan 8.240 nan 0.000 0.486 150 N N 2.663 121.133 118.700 -0.384 0.000 2.359 150 N HA 0.084 4.825 4.740 0.001 0.000 0.261 150 N C 0.282 175.645 175.510 -0.246 0.000 1.267 150 N CA 0.212 53.112 53.050 -0.251 0.000 0.864 150 N CB 0.643 38.982 38.487 -0.246 0.000 1.063 150 N HN 0.726 nan 8.380 nan 0.000 0.474 151 S N 1.803 117.370 115.700 -0.222 0.000 2.579 151 S HA 0.275 4.746 4.470 0.001 0.000 0.275 151 S C 0.073 174.520 174.600 -0.256 0.000 1.345 151 S CA -0.520 57.503 58.200 -0.295 0.000 1.031 151 S CB 0.186 63.295 63.200 -0.152 0.000 0.892 151 S HN 0.256 nan 8.310 nan 0.000 0.529 152 F N 1.340 121.072 119.950 -0.363 0.000 2.418 152 F HA 0.228 4.756 4.527 0.001 0.000 0.341 152 F C 1.731 177.195 175.800 -0.560 0.000 1.120 152 F CA -1.034 56.537 58.000 -0.716 0.000 1.232 152 F CB 0.660 38.831 39.000 -1.382 0.000 1.175 152 F HN 0.548 nan 8.300 nan 0.000 0.569 153 V N 0.354 120.135 119.914 -0.221 0.000 2.594 153 V HA -0.240 3.881 4.120 0.001 0.000 0.253 153 V C 1.382 177.471 176.094 -0.009 0.000 1.069 153 V CA 1.630 63.902 62.300 -0.047 0.000 1.082 153 V CB -1.572 30.291 31.823 0.066 0.000 0.680 153 V HN 0.711 nan 8.190 nan 0.000 0.469 154 F N 0.552 120.577 119.950 0.125 0.000 2.732 154 F HA 0.545 5.072 4.527 0.001 0.000 0.303 154 F C 0.646 176.515 175.800 0.115 0.000 1.110 154 F CA -0.105 57.949 58.000 0.089 0.000 1.355 154 F CB -0.238 38.792 39.000 0.049 0.000 1.081 154 F HN 0.271 nan 8.300 nan 0.000 0.565 155 D N 0.873 121.266 120.400 -0.012 0.000 2.823 155 D HA 0.162 4.802 4.640 0.001 0.000 0.255 155 D C 0.302 176.719 176.300 0.195 0.000 1.257 155 D CA -0.206 53.894 54.000 0.166 0.000 0.803 155 D CB 0.375 41.342 40.800 0.280 0.000 1.384 155 D HN 0.150 nan 8.370 nan 0.000 0.541 156 K N 0.317 120.809 120.400 0.154 0.000 2.352 156 K HA 0.160 4.481 4.320 0.001 0.000 0.194 156 K C 0.036 176.748 176.600 0.188 0.000 1.038 156 K CA 0.208 56.588 56.287 0.155 0.000 1.023 156 K CB 0.964 33.509 32.500 0.076 0.000 0.840 156 K HN 0.201 nan 8.250 nan 0.000 0.519 157 E N 1.300 121.563 120.200 0.104 0.000 2.113 157 E HA 0.082 4.432 4.350 0.001 0.000 0.273 157 E C 0.216 176.634 176.600 -0.303 0.000 0.924 157 E CA -0.204 56.173 56.400 -0.039 0.000 0.764 157 E CB 1.684 31.365 29.700 -0.032 0.000 1.104 157 E HN -0.033 nan 8.360 nan 0.000 0.406 158 K N 2.559 122.611 120.400 -0.579 0.000 2.063 158 K HA -0.149 4.171 4.320 0.001 0.000 0.208 158 K C -0.057 176.129 176.600 -0.689 0.000 1.048 158 K CA 1.372 56.952 56.287 -1.177 0.000 0.928 158 K CB 0.154 32.128 32.500 -0.877 0.000 0.713 158 K HN 0.398 nan 8.250 nan 0.000 0.442 159 D N 1.360 121.556 120.400 -0.341 0.000 2.801 159 D HA 0.042 4.683 4.640 0.001 0.000 0.232 159 D C -1.021 175.203 176.300 -0.126 0.000 1.128 159 D CA 0.334 54.256 54.000 -0.129 0.000 1.003 159 D CB 0.304 41.153 40.800 0.082 0.000 1.110 159 D HN -0.053 nan 8.370 nan 0.000 0.477 160 K N 1.381 121.514 120.400 -0.445 0.000 2.413 160 K HA 0.477 4.797 4.320 0.001 0.000 0.257 160 K C -0.858 175.427 176.600 -0.525 0.000 0.946 160 K CA -0.617 55.505 56.287 -0.274 0.000 0.823 160 K CB 1.119 33.512 32.500 -0.179 0.000 1.109 160 K HN 0.024 nan 8.250 nan 0.000 0.427 161 F N 0.328 120.266 119.950 -0.021 0.000 2.640 161 F HA 0.328 4.855 4.527 0.001 0.000 0.324 161 F C 0.146 175.972 175.800 0.043 0.000 1.077 161 F CA -1.372 56.637 58.000 0.014 0.000 0.965 161 F CB 0.754 39.757 39.000 0.004 0.000 1.351 161 F HN 0.359 nan 8.300 nan 0.000 0.487 162 Y N 0.791 121.198 120.300 0.179 0.000 2.712 162 Y HA 0.290 4.841 4.550 0.001 0.000 0.333 162 Y C 0.160 176.113 175.900 0.088 0.000 1.225 162 Y CA 0.274 58.437 58.100 0.104 0.000 1.499 162 Y CB 0.541 39.051 38.460 0.084 0.000 1.288 162 Y HN 0.382 nan 8.280 nan 0.000 0.575 163 V N 3.715 123.221 119.914 -0.679 0.000 2.950 163 V HA 0.046 4.167 4.120 0.001 0.000 0.231 163 V C 0.280 175.915 176.094 -0.766 0.000 1.205 163 V CA 1.236 63.236 62.300 -0.499 0.000 1.239 163 V CB 0.363 32.045 31.823 -0.236 0.000 1.050 163 V HN 0.898 nan 8.190 nan 0.000 0.498 164 D N -1.554 118.374 120.400 -0.787 0.000 2.480 164 D HA 0.224 4.864 4.640 0.001 0.000 0.276 164 D C 1.316 177.527 176.300 -0.148 0.000 1.294 164 D CA 0.732 54.467 54.000 -0.442 0.000 0.829 164 D CB 0.275 40.964 40.800 -0.186 0.000 1.242 164 D HN 0.541 nan 8.370 nan 0.000 0.513 165 G N 0.628 109.325 108.800 -0.172 0.000 2.155 165 G HA2 -0.289 3.672 3.960 0.001 0.000 0.257 165 G HA3 -0.289 3.672 3.960 0.001 0.000 0.257 165 G C 0.577 175.651 174.900 0.291 0.000 0.983 165 G CA 1.001 46.282 45.100 0.302 0.000 0.676 165 G HN 0.928 nan 8.290 nan 0.000 0.528 166 T N -3.084 111.539 114.554 0.115 0.000 2.810 166 T HA 0.499 4.850 4.350 0.001 0.000 0.277 166 T C 1.088 175.829 174.700 0.068 0.000 0.973 166 T CA 0.326 62.491 62.100 0.107 0.000 0.949 166 T CB 1.095 69.990 68.868 0.045 0.000 1.075 166 T HN -0.029 nan 8.240 nan 0.000 0.537 167 D N 0.526 120.958 120.400 0.053 0.000 2.311 167 D HA -0.081 4.560 4.640 0.001 0.000 0.212 167 D C 1.856 178.161 176.300 0.008 0.000 0.972 167 D CA 1.483 55.499 54.000 0.026 0.000 0.887 167 D CB -0.127 40.687 40.800 0.023 0.000 0.915 167 D HN 0.701 nan 8.370 nan 0.000 0.497 168 S N -0.406 115.295 115.700 0.002 0.000 2.556 168 S HA -0.034 4.436 4.470 0.001 0.000 0.216 168 S C 0.561 175.148 174.600 -0.022 0.000 0.970 168 S CA -0.558 57.636 58.200 -0.010 0.000 0.912 168 S CB 0.540 63.732 63.200 -0.013 0.000 0.790 168 S HN 0.039 nan 8.310 nan 0.000 0.504 169 D N 3.465 123.849 120.400 -0.027 0.000 2.425 169 D HA 0.090 4.730 4.640 0.001 0.000 0.247 169 D C -1.409 174.874 176.300 -0.028 0.000 1.147 169 D CA -1.432 52.535 54.000 -0.054 0.000 0.879 169 D CB 1.544 42.302 40.800 -0.070 0.000 1.179 169 D HN 0.054 nan 8.370 nan 0.000 0.456 170 P HA -0.108 nan 4.420 nan 0.000 0.220 170 P C 1.693 178.990 177.300 -0.006 0.000 1.148 170 P CA 0.782 63.876 63.100 -0.010 0.000 0.803 170 P CB 0.315 32.012 31.700 -0.006 0.000 0.782 171 L N -1.248 119.976 121.223 0.002 0.000 2.179 171 L HA -0.052 4.288 4.340 0.001 0.000 0.208 171 L C 2.585 179.446 176.870 -0.015 0.000 1.096 171 L CA 0.806 55.651 54.840 0.009 0.000 0.779 171 L CB -0.869 41.226 42.059 0.060 0.000 0.922 171 L HN -0.170 nan 8.230 nan 0.000 0.443 172 V N 0.160 120.068 119.914 -0.011 0.000 2.427 172 V HA -0.241 3.880 4.120 0.001 0.000 0.248 172 V C 2.477 178.541 176.094 -0.049 0.000 1.051 172 V CA 1.572 63.845 62.300 -0.044 0.000 1.048 172 V CB -0.485 31.328 31.823 -0.017 0.000 0.666 172 V HN 0.420 nan 8.190 nan 0.000 0.456 173 K N -0.143 120.243 120.400 -0.024 0.000 2.097 173 K HA -0.099 4.221 4.320 0.001 0.000 0.206 173 K C 2.040 178.633 176.600 -0.013 0.000 1.049 173 K CA 1.476 57.753 56.287 -0.016 0.000 0.933 173 K CB -0.323 32.176 32.500 -0.001 0.000 0.717 173 K HN 0.409 nan 8.250 nan 0.000 0.442 174 I N 1.182 121.751 120.570 -0.003 0.000 2.286 174 I HA -0.254 3.916 4.170 0.001 0.000 0.248 174 I C 2.515 178.586 176.117 -0.076 0.000 1.115 174 I CA 0.929 62.242 61.300 0.021 0.000 1.392 174 I CB -0.355 37.689 38.000 0.073 0.000 1.065 174 I HN 0.112 nan 8.210 nan 0.000 0.418 175 A N 0.897 123.642 122.820 -0.125 0.000 1.933 175 A HA -0.201 4.119 4.320 0.001 0.000 0.218 175 A C 2.303 179.772 177.584 -0.193 0.000 1.175 175 A CA 1.451 53.357 52.037 -0.217 0.000 0.628 175 A CB -0.381 18.484 19.000 -0.226 0.000 0.814 175 A HN 0.307 nan 8.150 nan 0.000 0.444 176 K N -0.354 119.974 120.400 -0.121 0.000 2.097 176 K HA -0.128 4.193 4.320 0.001 0.000 0.206 176 K C 1.678 178.228 176.600 -0.083 0.000 1.049 176 K CA 1.191 57.425 56.287 -0.088 0.000 0.933 176 K CB -0.192 32.277 32.500 -0.050 0.000 0.717 176 K HN 0.423 nan 8.250 nan 0.000 0.442 177 E N 1.132 121.288 120.200 -0.074 0.000 2.106 177 E HA -0.097 4.253 4.350 0.001 0.000 0.192 177 E C 2.126 178.627 176.600 -0.164 0.000 0.984 177 E CA 0.774 57.147 56.400 -0.045 0.000 0.806 177 E CB -0.268 29.469 29.700 0.061 0.000 0.750 177 E HN 0.349 nan 8.360 nan 0.000 0.458 178 I N 1.670 122.012 120.570 -0.380 0.000 2.226 178 I HA -0.276 3.895 4.170 0.001 0.000 0.245 178 I C 1.903 177.865 176.117 -0.259 0.000 1.100 178 I CA 0.868 61.829 61.300 -0.566 0.000 1.374 178 I CB -0.289 37.283 38.000 -0.714 0.000 1.057 178 I HN 0.030 nan 8.210 nan 0.000 0.413 179 N N 1.090 119.684 118.700 -0.177 0.000 2.166 179 N HA -0.149 4.592 4.740 0.001 0.000 0.186 179 N C 1.701 177.203 175.510 -0.013 0.000 1.019 179 N CA 1.106 54.121 53.050 -0.058 0.000 0.856 179 N CB -0.194 38.255 38.487 -0.062 0.000 0.993 179 N HN 0.376 nan 8.380 nan 0.000 0.426 180 K N 0.523 120.909 120.400 -0.022 0.000 2.063 180 K HA -0.064 4.257 4.320 0.001 0.000 0.208 180 K C 1.991 178.622 176.600 0.052 0.000 1.048 180 K CA 0.962 57.256 56.287 0.013 0.000 0.928 180 K CB -0.149 32.362 32.500 0.018 0.000 0.713 180 K HN 0.175 nan 8.250 nan 0.000 0.442 181 I N -0.553 120.057 120.570 0.065 0.000 2.500 181 I HA -0.195 3.976 4.170 0.001 0.000 0.252 181 I C 1.988 178.270 176.117 0.275 0.000 1.142 181 I CA 0.915 62.317 61.300 0.170 0.000 1.451 181 I CB 0.089 38.210 38.000 0.201 0.000 1.093 181 I HN 0.062 nan 8.210 nan 0.000 0.430 182 F N -0.691 119.198 119.950 -0.101 0.000 2.622 182 F HA 0.110 4.637 4.527 0.001 0.000 0.288 182 F C 1.816 177.493 175.800 -0.204 0.000 1.120 182 F CA 0.542 58.365 58.000 -0.295 0.000 1.423 182 F CB 0.339 38.898 39.000 -0.735 0.000 1.127 182 F HN -0.282 nan 8.300 nan 0.000 0.588 183 V N -0.262 119.625 119.914 -0.045 0.000 2.627 183 V HA -0.028 4.092 4.120 0.001 0.000 0.239 183 V C 1.929 177.979 176.094 -0.075 0.000 1.077 183 V CA 1.275 63.518 62.300 -0.095 0.000 1.103 183 V CB -0.312 31.522 31.823 0.018 0.000 0.802 183 V HN 0.117 nan 8.190 nan 0.000 0.482 184 E N 0.286 120.476 120.200 -0.016 0.000 2.072 184 E HA -0.107 4.243 4.350 0.001 0.000 0.191 184 E C 0.474 177.079 176.600 0.010 0.000 0.985 184 E CA 1.300 57.698 56.400 -0.005 0.000 0.801 184 E CB 0.001 29.706 29.700 0.009 0.000 0.750 184 E HN 0.415 nan 8.360 nan 0.000 0.452 185 T N 3.888 118.475 114.554 0.055 0.000 3.145 185 T HA 0.181 4.531 4.350 0.001 0.000 0.348 185 T C -2.565 172.214 174.700 0.132 0.000 1.299 185 T CA -1.523 60.647 62.100 0.116 0.000 1.037 185 T CB 0.990 69.963 68.868 0.176 0.000 1.122 185 T HN -0.014 nan 8.240 nan 0.000 0.600 186 P HA -0.032 nan 4.420 nan 0.000 0.264 186 P C 0.404 177.401 177.300 -0.505 0.000 1.193 186 P CA -0.189 62.742 63.100 -0.281 0.000 0.763 186 P CB 0.606 32.168 31.700 -0.230 0.000 0.810 187 Y N 4.857 124.416 120.300 -1.236 0.000 2.151 187 Y HA -0.297 4.253 4.550 0.001 0.000 0.284 187 Y C 2.299 177.461 175.900 -1.231 0.000 1.166 187 Y CA 2.371 59.271 58.100 -1.999 0.000 1.163 187 Y CB -0.618 36.571 38.460 -2.119 0.000 0.974 187 Y HN 0.442 nan 8.280 nan 0.000 0.511 188 A N -1.076 121.283 122.820 -0.767 0.000 2.131 188 A HA -0.141 4.179 4.320 0.001 0.000 0.220 188 A C 2.150 179.475 177.584 -0.432 0.000 1.158 188 A CA 1.845 53.549 52.037 -0.555 0.000 0.665 188 A CB -0.727 18.081 19.000 -0.320 0.000 0.795 188 A HN 0.473 nan 8.150 nan 0.000 0.460 189 S N -1.532 113.961 115.700 -0.346 0.000 2.540 189 S HA 0.101 4.572 4.470 0.001 0.000 0.218 189 S C -0.232 174.354 174.600 -0.023 0.000 0.977 189 S CA -0.744 57.369 58.200 -0.146 0.000 0.918 189 S CB -0.097 63.062 63.200 -0.069 0.000 0.806 189 S HN 0.632 nan 8.310 nan 0.000 0.496 190 W N 3.832 124.875 121.300 -0.427 0.000 2.209 190 W HA 0.296 4.956 4.660 0.000 0.000 0.344 190 W C 1.057 177.448 176.519 -0.213 0.000 1.285 190 W CA -0.803 56.284 57.345 -0.431 0.000 1.267 190 W CB -0.550 28.364 29.460 -0.910 0.000 1.167 190 W HN 0.043 nan 8.180 nan 0.000 0.574 191 T N -1.479 113.203 114.554 0.213 0.000 2.932 191 T HA 0.244 4.594 4.350 0.001 0.000 0.289 191 T C 0.669 175.585 174.700 0.360 0.000 1.039 191 T CA -0.725 61.498 62.100 0.205 0.000 1.024 191 T CB 2.050 71.007 68.868 0.149 0.000 1.090 191 T HN 0.239 nan 8.240 nan 0.000 0.496 192 D N 0.996 121.608 120.400 0.352 0.000 2.158 192 D HA -0.106 4.534 4.640 0.001 0.000 0.197 192 D C 1.745 178.275 176.300 0.383 0.000 0.995 192 D CA 1.690 55.965 54.000 0.458 0.000 0.846 192 D CB -0.001 41.026 40.800 0.378 0.000 0.941 192 D HN 0.795 nan 8.370 nan 0.000 0.456 193 E N 0.172 120.528 120.200 0.259 0.000 2.051 193 E HA -0.052 4.298 4.350 0.001 0.000 0.189 193 E C 1.822 178.518 176.600 0.160 0.000 0.979 193 E CA 0.438 56.948 56.400 0.183 0.000 0.803 193 E CB -0.258 29.517 29.700 0.126 0.000 0.761 193 E HN 0.093 nan 8.360 nan 0.000 0.451 194 N N 0.411 119.211 118.700 0.167 0.000 2.060 194 N HA -0.169 4.571 4.740 0.001 0.000 0.195 194 N C 0.897 176.379 175.510 -0.047 0.000 1.028 194 N CA 1.428 54.541 53.050 0.106 0.000 0.861 194 N CB -0.152 38.492 38.487 0.262 0.000 1.029 194 N HN 0.276 nan 8.380 nan 0.000 0.428 195 H N -0.606 118.503 119.070 0.066 0.000 2.674 195 H HA 0.339 4.895 4.556 0.001 0.000 0.274 195 H C -0.368 175.168 175.328 0.347 0.000 1.121 195 H CA -0.273 55.815 56.048 0.065 0.000 1.132 195 H CB 0.464 30.108 29.762 -0.196 0.000 1.606 195 H HN 0.006 nan 8.280 nan 0.000 0.558 196 K N 0.399 121.021 120.400 0.370 0.000 3.257 196 K HA -0.218 4.102 4.320 0.001 0.000 0.270 196 K C -0.623 176.197 176.600 0.366 0.000 0.984 196 K CA 0.148 56.614 56.287 0.297 0.000 0.739 196 K CB -0.964 31.643 32.500 0.179 0.000 1.351 196 K HN 0.541 nan 8.250 nan 0.000 0.463 197 W N 2.733 124.170 121.300 0.228 0.000 2.264 197 W HA -0.005 4.655 4.660 0.000 0.000 0.331 197 W C 0.631 177.142 176.519 -0.013 0.000 1.364 197 W CA 0.778 58.125 57.345 0.002 0.000 1.253 197 W CB 0.277 29.700 29.460 -0.062 0.000 1.215 197 W HN 0.417 nan 8.180 nan 0.000 0.561 198 N N 3.989 122.260 118.700 -0.715 0.000 2.338 198 N HA 0.169 4.909 4.740 0.001 0.000 0.251 198 N C 0.975 176.042 175.510 -0.739 0.000 1.199 198 N CA 0.132 52.865 53.050 -0.527 0.000 0.879 198 N CB 0.328 38.619 38.487 -0.326 0.000 1.159 198 N HN 0.719 nan 8.380 nan 0.000 0.514 199 G N 0.365 108.332 108.800 -1.389 0.000 2.284 199 G HA2 -0.444 3.517 3.960 0.001 0.000 0.261 199 G HA3 -0.444 3.517 3.960 0.001 0.000 0.261 199 G C 0.938 175.342 174.900 -0.827 0.000 0.997 199 G CA 0.702 45.319 45.100 -0.804 0.000 0.621 199 G HN 0.578 nan 8.290 nan 0.000 0.534 200 N N -0.556 117.518 118.700 -1.044 0.000 2.684 200 N HA 0.344 5.084 4.740 0.001 0.000 0.220 200 N C 0.765 175.903 175.510 -0.620 0.000 1.037 200 N CA 1.913 54.597 53.050 -0.610 0.000 0.975 200 N CB 0.770 39.040 38.487 -0.362 0.000 1.426 200 N HN 1.252 nan 8.380 nan 0.000 0.450 201 V N -2.150 117.367 119.914 -0.662 0.000 3.159 201 V HA 0.548 4.668 4.120 0.001 0.000 0.308 201 V C -1.364 174.778 176.094 0.079 0.000 1.190 201 V CA -1.078 61.194 62.300 -0.046 0.000 1.037 201 V CB 1.298 33.215 31.823 0.157 0.000 1.060 201 V HN 0.035 nan 8.190 nan 0.000 0.437 202 Y N 1.834 122.583 120.300 0.748 0.000 2.585 202 Y HA 0.351 4.901 4.550 0.001 0.000 0.354 202 Y C 1.712 177.961 175.900 0.580 0.000 1.024 202 Y CA 0.208 58.743 58.100 0.724 0.000 1.321 202 Y CB 0.936 39.897 38.460 0.835 0.000 1.151 202 Y HN 0.727 nan 8.280 nan 0.000 0.525 203 Q N 1.119 121.206 119.800 0.478 0.000 2.224 203 Q HA -0.138 4.203 4.340 0.001 0.000 0.203 203 Q C 1.982 178.215 176.000 0.388 0.000 0.970 203 Q CA 1.422 57.442 55.803 0.362 0.000 0.865 203 Q CB 0.077 28.905 28.738 0.150 0.000 0.922 203 Q HN 0.783 nan 8.270 nan 0.000 0.445 204 S N 0.039 115.927 115.700 0.314 0.000 2.555 204 S HA -0.048 4.422 4.470 0.001 0.000 0.230 204 S C 1.752 176.463 174.600 0.184 0.000 0.978 204 S CA 0.773 59.066 58.200 0.156 0.000 0.934 204 S CB -0.247 62.931 63.200 -0.038 0.000 0.766 204 S HN 0.314 nan 8.310 nan 0.000 0.533 205 V N -2.958 117.146 119.914 0.317 0.000 3.633 205 V HA 0.459 4.580 4.120 0.001 0.000 0.283 205 V C -0.200 175.943 176.094 0.081 0.000 1.305 205 V CA -0.660 61.779 62.300 0.232 0.000 1.153 205 V CB -1.579 30.447 31.823 0.338 0.000 0.950 205 V HN 0.386 nan 8.190 nan 0.000 0.432 206 Y N -0.023 120.394 120.300 0.195 0.000 2.509 206 Y HA 0.734 5.285 4.550 0.001 0.000 0.341 206 Y C -0.317 175.597 175.900 0.024 0.000 1.038 206 Y CA -1.157 57.000 58.100 0.094 0.000 1.089 206 Y CB 1.700 40.191 38.460 0.051 0.000 1.241 206 Y HN 0.060 nan 8.280 nan 0.000 0.468 207 D N 2.707 123.192 120.400 0.141 0.000 2.464 207 D HA 0.334 4.974 4.640 0.001 0.000 0.243 207 D C -2.315 174.003 176.300 0.029 0.000 1.104 207 D CA -2.684 51.358 54.000 0.069 0.000 0.883 207 D CB 1.631 42.451 40.800 0.034 0.000 1.050 207 D HN 0.115 nan 8.370 nan 0.000 0.524 208 P HA -0.049 nan 4.420 nan 0.000 0.230 208 P C 1.211 178.488 177.300 -0.038 0.000 1.158 208 P CA 0.833 63.910 63.100 -0.038 0.000 0.769 208 P CB 0.016 31.687 31.700 -0.048 0.000 0.807 209 T N -3.952 110.593 114.554 -0.016 0.000 3.085 209 T HA 0.063 4.414 4.350 0.001 0.000 0.263 209 T C 0.563 175.253 174.700 -0.016 0.000 1.127 209 T CA 0.262 62.354 62.100 -0.013 0.000 1.103 209 T CB -0.608 68.259 68.868 -0.001 0.000 0.921 209 T HN -0.170 nan 8.240 nan 0.000 0.510 210 V N 2.657 122.556 119.914 -0.024 0.000 2.407 210 V HA 0.408 4.529 4.120 0.001 0.000 0.291 210 V C -0.643 175.414 176.094 -0.062 0.000 1.018 210 V CA -1.054 61.232 62.300 -0.023 0.000 0.842 210 V CB 1.622 33.443 31.823 -0.004 0.000 0.996 210 V HN 0.311 nan 8.190 nan 0.000 0.426 211 Q N 3.200 122.962 119.800 -0.064 0.000 2.267 211 Q HA 0.615 4.955 4.340 0.001 0.000 0.255 211 Q C 0.047 175.985 176.000 -0.103 0.000 0.923 211 Q CA -0.105 55.629 55.803 -0.116 0.000 0.925 211 Q CB 1.998 30.676 28.738 -0.100 0.000 1.195 211 Q HN 0.851 nan 8.270 nan 0.000 0.417 212 A N 3.396 126.073 122.820 -0.238 0.000 2.260 212 A HA 0.315 4.636 4.320 0.001 0.000 0.314 212 A C 0.356 177.783 177.584 -0.261 0.000 1.257 212 A CA -0.806 51.052 52.037 -0.298 0.000 0.871 212 A CB 0.094 18.558 19.000 -0.894 0.000 1.166 212 A HN 0.711 nan 8.150 nan 0.000 0.522 213 N N 1.802 120.543 118.700 0.068 0.000 2.466 213 N HA 0.321 5.061 4.740 0.001 0.000 0.251 213 N C -0.705 174.986 175.510 0.302 0.000 1.164 213 N CA -0.230 52.891 53.050 0.118 0.000 0.888 213 N CB -0.750 37.824 38.487 0.144 0.000 1.177 213 N HN 0.546 nan 8.380 nan 0.000 0.498 214 F N -2.403 117.594 119.950 0.079 0.000 2.741 214 F HA 0.690 5.217 4.527 0.001 0.000 0.311 214 F C -1.645 174.366 175.800 0.353 0.000 1.149 214 F CA -1.711 56.415 58.000 0.211 0.000 0.930 214 F CB 0.820 39.877 39.000 0.095 0.000 1.312 214 F HN -0.072 nan 8.300 nan 0.000 0.450 215 Y N -0.612 119.856 120.300 0.280 0.000 2.677 215 Y HA 0.911 5.462 4.550 0.001 0.000 0.334 215 Y C -1.461 174.628 175.900 0.315 0.000 1.154 215 Y CA -2.292 55.951 58.100 0.237 0.000 1.070 215 Y CB 1.392 40.068 38.460 0.360 0.000 1.294 215 Y HN 0.866 nan 8.280 nan 0.000 0.475 216 R N 0.187 120.761 120.500 0.123 0.000 2.888 216 R HA 0.732 5.073 4.340 0.001 0.000 0.264 216 R C -0.309 175.990 176.300 -0.002 0.000 1.045 216 R CA -0.864 55.214 56.100 -0.036 0.000 0.962 216 R CB 2.156 32.513 30.300 0.095 0.000 1.210 216 R HN 1.079 nan 8.270 nan 0.000 0.479 217 G N 0.411 109.184 108.800 -0.045 0.000 2.557 217 G HA2 0.686 4.646 3.960 0.001 0.000 0.302 217 G HA3 0.686 4.646 3.960 0.001 0.000 0.302 217 G C -0.429 174.462 174.900 -0.014 0.000 1.311 217 G CA -0.647 44.468 45.100 0.026 0.000 1.030 217 G HN 0.581 nan 8.290 nan 0.000 0.509 218 M N -1.667 117.911 119.600 -0.037 0.000 2.682 218 M HA 0.616 5.097 4.480 0.001 0.000 0.272 218 M C -1.924 174.306 176.300 -0.117 0.000 1.232 218 M CA -0.808 54.394 55.300 -0.163 0.000 0.849 218 M CB 2.072 34.467 32.600 -0.343 0.000 1.695 218 M HN 0.274 nan 8.290 nan 0.000 0.481 219 I N 1.433 121.901 120.570 -0.170 0.000 2.406 219 I HA 0.479 4.649 4.170 0.001 0.000 0.290 219 I C -1.606 174.449 176.117 -0.103 0.000 0.999 219 I CA -0.244 61.075 61.300 0.032 0.000 1.124 219 I CB 1.375 39.437 38.000 0.104 0.000 1.289 219 I HN 0.692 nan 8.210 nan 0.000 0.441 220 W N 7.246 128.591 121.300 0.075 0.000 2.512 220 W HA 0.683 5.343 4.660 0.001 0.000 0.335 220 W C -0.055 176.461 176.519 -0.005 0.000 1.088 220 W CA -0.585 56.758 57.345 -0.003 0.000 1.236 220 W CB 1.419 30.881 29.460 0.004 0.000 1.307 220 W HN 0.252 nan 8.180 nan 0.000 0.567 221 I N 0.354 121.059 120.570 0.225 0.000 2.785 221 I HA 0.679 4.849 4.170 0.001 0.000 0.302 221 I C -0.916 175.259 176.117 0.097 0.000 1.069 221 I CA -1.334 60.025 61.300 0.099 0.000 1.045 221 I CB 2.295 40.292 38.000 -0.005 0.000 1.236 221 I HN 0.245 nan 8.210 nan 0.000 0.429 222 K N 2.935 123.369 120.400 0.057 0.000 2.523 222 K HA 0.803 5.124 4.320 0.001 0.000 0.257 222 K C -0.994 175.658 176.600 0.087 0.000 0.932 222 K CA -0.272 56.047 56.287 0.053 0.000 0.812 222 K CB 2.500 35.010 32.500 0.016 0.000 1.326 222 K HN 1.184 nan 8.250 nan 0.000 0.433 223 G N 1.856 110.692 108.800 0.060 0.000 2.315 223 G HA2 0.079 4.040 3.960 0.001 0.000 0.294 223 G HA3 0.079 4.040 3.960 0.001 0.000 0.294 223 G C -1.424 173.490 174.900 0.022 0.000 1.300 223 G CA -0.799 44.351 45.100 0.084 0.000 0.843 223 G HN 0.716 nan 8.290 nan 0.000 0.527 224 N N -0.105 118.605 118.700 0.017 0.000 2.317 224 N HA 0.216 4.956 4.740 0.001 0.000 0.245 224 N C 0.565 176.065 175.510 -0.017 0.000 1.294 224 N CA 0.273 53.323 53.050 -0.001 0.000 0.924 224 N CB 0.488 38.977 38.487 0.003 0.000 1.186 224 N HN 0.361 nan 8.380 nan 0.000 0.495 225 D N -0.836 119.554 120.400 -0.016 0.000 2.149 225 D HA -0.210 4.430 4.640 0.001 0.000 0.198 225 D C 1.377 177.662 176.300 -0.025 0.000 0.990 225 D CA 1.542 55.530 54.000 -0.019 0.000 0.839 225 D CB -0.177 40.615 40.800 -0.013 0.000 0.948 225 D HN 0.831 nan 8.370 nan 0.000 0.460 226 E N 0.317 120.505 120.200 -0.019 0.000 2.107 226 E HA -0.099 4.251 4.350 0.001 0.000 0.191 226 E C 1.839 178.417 176.600 -0.036 0.000 0.982 226 E CA 1.386 57.776 56.400 -0.016 0.000 0.809 226 E CB -0.169 29.529 29.700 -0.004 0.000 0.756 226 E HN 0.058 nan 8.360 nan 0.000 0.459 227 T N 0.962 115.480 114.554 -0.060 0.000 2.737 227 T HA -0.062 4.289 4.350 0.001 0.000 0.265 227 T C 1.805 176.360 174.700 -0.242 0.000 1.038 227 T CA 1.285 63.297 62.100 -0.147 0.000 1.144 227 T CB -0.283 68.495 68.868 -0.151 0.000 0.866 227 T HN 0.119 nan 8.240 nan 0.000 0.434 228 L N 0.881 122.013 121.223 -0.153 0.000 2.042 228 L HA -0.159 4.181 4.340 0.001 0.000 0.210 228 L C 3.030 179.833 176.870 -0.113 0.000 1.076 228 L CA 1.351 56.106 54.840 -0.141 0.000 0.749 228 L CB -0.687 41.330 42.059 -0.071 0.000 0.893 228 L HN 0.257 nan 8.230 nan 0.000 0.432 229 A N -0.134 122.647 122.820 -0.066 0.000 1.933 229 A HA -0.217 4.103 4.320 0.001 0.000 0.218 229 A C 2.329 179.909 177.584 -0.007 0.000 1.175 229 A CA 1.672 53.696 52.037 -0.022 0.000 0.628 229 A CB -0.322 18.677 19.000 -0.003 0.000 0.814 229 A HN 0.298 nan 8.150 nan 0.000 0.444 230 K N -0.448 119.931 120.400 -0.036 0.000 2.057 230 K HA -0.033 4.288 4.320 0.001 0.000 0.207 230 K C 1.744 178.340 176.600 -0.006 0.000 1.049 230 K CA 1.508 57.812 56.287 0.027 0.000 0.931 230 K CB -0.316 32.247 32.500 0.106 0.000 0.714 230 K HN 0.543 nan 8.250 nan 0.000 0.440 231 I N 1.167 121.550 120.570 -0.311 0.000 2.179 231 I HA -0.302 3.868 4.170 0.001 0.000 0.242 231 I C 2.072 178.282 176.117 0.155 0.000 1.088 231 I CA 1.353 62.485 61.300 -0.281 0.000 1.357 231 I CB -0.159 37.512 38.000 -0.547 0.000 1.051 231 I HN 0.116 nan 8.210 nan 0.000 0.409 232 K N 0.727 121.180 120.400 0.088 0.000 2.097 232 K HA -0.218 4.102 4.320 0.001 0.000 0.205 232 K C 2.149 178.909 176.600 0.267 0.000 1.050 232 K CA 1.134 57.531 56.287 0.183 0.000 0.938 232 K CB -0.182 32.363 32.500 0.075 0.000 0.718 232 K HN 0.241 nan 8.250 nan 0.000 0.442 233 K N 1.177 121.695 120.400 0.195 0.000 2.057 233 K HA -0.132 4.188 4.320 0.001 0.000 0.207 233 K C 2.102 178.871 176.600 0.282 0.000 1.049 233 K CA 1.287 57.696 56.287 0.202 0.000 0.931 233 K CB -0.091 32.498 32.500 0.148 0.000 0.714 233 K HN 0.104 nan 8.250 nan 0.000 0.440 234 A N 1.287 124.325 122.820 0.363 0.000 1.969 234 A HA -0.176 4.145 4.320 0.001 0.000 0.218 234 A C 1.970 179.911 177.584 0.595 0.000 1.169 234 A CA 1.124 53.441 52.037 0.467 0.000 0.635 234 A CB -0.985 18.352 19.000 0.561 0.000 0.810 234 A HN 0.759 nan 8.150 nan 0.000 0.445 235 W N 1.208 122.758 121.300 0.418 0.000 2.379 235 W HA -0.148 4.513 4.660 0.001 0.000 0.307 235 W C 1.421 178.069 176.519 0.215 0.000 1.200 235 W CA 1.707 59.215 57.345 0.272 0.000 1.297 235 W CB -0.415 29.124 29.460 0.133 0.000 1.140 235 W HN 0.366 nan 8.180 nan 0.000 0.507 236 N N 0.936 119.854 118.700 0.363 0.000 2.166 236 N HA -0.153 4.588 4.740 0.001 0.000 0.186 236 N C 0.859 176.409 175.510 0.068 0.000 1.019 236 N CA 1.767 54.932 53.050 0.193 0.000 0.856 236 N CB -0.762 37.849 38.487 0.206 0.000 0.993 236 N HN 0.139 nan 8.380 nan 0.000 0.426 237 D N 0.590 121.057 120.400 0.112 0.000 2.340 237 D HA 0.045 4.686 4.640 0.001 0.000 0.220 237 D C 0.078 176.408 176.300 0.050 0.000 1.039 237 D CA 0.168 54.214 54.000 0.076 0.000 0.866 237 D CB 0.073 40.945 40.800 0.120 0.000 0.913 237 D HN 0.184 nan 8.370 nan 0.000 0.523 238 K N 0.873 121.276 120.400 0.004 0.000 3.096 238 K HA -0.192 4.129 4.320 0.001 0.000 0.266 238 K C -0.507 176.326 176.600 0.387 0.000 1.043 238 K CA 0.411 56.686 56.287 -0.019 0.000 0.758 238 K CB -1.270 31.059 32.500 -0.284 0.000 1.260 238 K HN 0.127 nan 8.250 nan 0.000 0.481 239 D N 0.530 121.218 120.400 0.480 0.000 2.456 239 D HA 0.033 4.673 4.640 0.001 0.000 0.219 239 D C 0.845 177.369 176.300 0.373 0.000 1.126 239 D CA -0.533 53.688 54.000 0.369 0.000 0.890 239 D CB 0.150 41.102 40.800 0.253 0.000 1.025 239 D HN 0.380 nan 8.370 nan 0.000 0.511 240 W N 4.464 125.811 121.300 0.078 0.000 2.379 240 W HA -0.196 4.464 4.660 0.001 0.000 0.307 240 W C 1.178 177.620 176.519 -0.129 0.000 1.200 240 W CA 0.732 57.901 57.345 -0.293 0.000 1.297 240 W CB -0.118 29.236 29.460 -0.176 0.000 1.140 240 W HN 0.396 nan 8.180 nan 0.000 0.507 241 N N 0.108 118.680 118.700 -0.212 0.000 2.061 241 N HA -0.202 4.538 4.740 0.001 0.000 0.193 241 N C 1.703 176.993 175.510 -0.367 0.000 1.030 241 N CA 3.427 56.253 53.050 -0.373 0.000 0.856 241 N CB -0.693 37.707 38.487 -0.144 0.000 1.023 241 N HN -0.055 nan 8.380 nan 0.000 0.424 242 T N -0.504 113.949 114.554 -0.169 0.000 2.821 242 T HA -0.089 4.261 4.350 0.001 0.000 0.267 242 T C 1.509 176.136 174.700 -0.121 0.000 1.046 242 T CA 1.015 63.014 62.100 -0.168 0.000 1.139 242 T CB -0.514 68.356 68.868 0.004 0.000 0.871 242 T HN 0.304 nan 8.240 nan 0.000 0.454 243 F N 2.326 122.187 119.950 -0.148 0.000 2.075 243 F HA -0.080 4.448 4.527 0.001 0.000 0.297 243 F C 2.651 178.273 175.800 -0.296 0.000 1.113 243 F CA 1.379 59.365 58.000 -0.024 0.000 1.218 243 F CB -0.146 38.847 39.000 -0.012 0.000 0.984 243 F HN -0.137 nan 8.300 nan 0.000 0.472 244 R N 0.715 120.791 120.500 -0.707 0.000 2.127 244 R HA -0.187 4.153 4.340 0.001 0.000 0.238 244 R C 1.527 177.432 176.300 -0.659 0.000 1.134 244 R CA 1.697 57.242 56.100 -0.924 0.000 0.975 244 R CB -0.778 28.645 30.300 -1.462 0.000 0.865 244 R HN 0.314 nan 8.270 nan 0.000 0.447 245 N N 0.181 118.526 118.700 -0.592 0.000 2.573 245 N HA -0.100 4.640 4.740 0.001 0.000 0.187 245 N C 0.990 176.174 175.510 -0.543 0.000 1.107 245 N CA 0.623 53.350 53.050 -0.538 0.000 0.918 245 N CB -0.298 37.882 38.487 -0.513 0.000 0.966 245 N HN 0.174 nan 8.380 nan 0.000 0.448 246 F N 0.538 120.237 119.950 -0.419 0.000 2.546 246 F HA 0.137 4.665 4.527 0.001 0.000 0.298 246 F C 1.507 177.149 175.800 -0.263 0.000 1.120 246 F CA 0.512 58.308 58.000 -0.340 0.000 1.456 246 F CB -0.401 38.361 39.000 -0.396 0.000 1.088 246 F HN -0.034 nan 8.300 nan 0.000 0.572 247 G N 1.197 109.824 108.800 -0.290 0.000 3.338 247 G HA2 -0.154 3.806 3.960 0.001 0.000 0.686 247 G HA3 -0.154 3.806 3.960 0.001 0.000 0.686 247 G C -0.880 174.002 174.900 -0.029 0.000 1.053 247 G CA -0.951 43.923 45.100 -0.377 0.000 0.852 247 G HN 0.134 nan 8.290 nan 0.000 0.545 248 I N 2.840 123.392 120.570 -0.031 0.000 2.378 248 I HA 0.425 4.596 4.170 0.001 0.000 0.291 248 I C 0.733 176.840 176.117 -0.017 0.000 0.992 248 I CA -0.910 60.322 61.300 -0.113 0.000 1.154 248 I CB 1.521 39.316 38.000 -0.341 0.000 1.315 248 I HN 0.354 nan 8.210 nan 0.000 0.448 249 L N 6.845 127.978 121.223 -0.151 0.000 2.312 249 L HA 0.469 4.810 4.340 0.001 0.000 0.281 249 L C -0.418 176.300 176.870 -0.252 0.000 1.070 249 L CA -0.511 54.180 54.840 -0.249 0.000 0.805 249 L CB 0.745 42.656 42.059 -0.248 0.000 1.174 249 L HN 0.710 nan 8.230 nan 0.000 0.434 250 H N 0.653 119.663 119.070 -0.101 0.000 2.977 250 H HA 0.783 5.339 4.556 0.001 0.000 0.350 250 H C -0.219 175.252 175.328 0.239 0.000 1.238 250 H CA -0.672 55.427 56.048 0.084 0.000 1.124 250 H CB 1.172 31.066 29.762 0.220 0.000 1.866 250 H HN 0.515 nan 8.280 nan 0.000 0.550 251 G N -0.105 109.015 108.800 0.534 0.000 2.641 251 G HA2 0.331 4.291 3.960 0.001 0.000 0.239 251 G HA3 0.331 4.291 3.960 0.001 0.000 0.239 251 G C -0.696 174.461 174.900 0.428 0.000 1.402 251 G CA -1.282 44.031 45.100 0.354 0.000 1.046 251 G HN 0.639 nan 8.290 nan 0.000 0.565 252 K N -0.194 120.343 120.400 0.229 0.000 2.469 252 K HA 0.027 4.347 4.320 0.001 0.000 0.274 252 K C 0.452 177.004 176.600 -0.080 0.000 0.983 252 K CA -0.078 56.271 56.287 0.104 0.000 0.974 252 K CB 0.648 33.202 32.500 0.090 0.000 0.913 252 K HN 0.283 nan 8.250 nan 0.000 0.493 253 D N 1.286 121.475 120.400 -0.352 0.000 2.309 253 D HA -0.139 4.501 4.640 0.001 0.000 0.212 253 D C 1.056 177.134 176.300 -0.371 0.000 0.968 253 D CA 1.129 54.617 54.000 -0.853 0.000 0.882 253 D CB -0.043 40.405 40.800 -0.586 0.000 0.918 253 D HN 0.511 nan 8.370 nan 0.000 0.503 254 N N -0.825 117.820 118.700 -0.091 0.000 2.230 254 N HA -0.032 4.708 4.740 0.001 0.000 0.202 254 N C -0.051 175.501 175.510 0.071 0.000 1.119 254 N CA -0.148 52.925 53.050 0.039 0.000 0.851 254 N CB 0.087 38.647 38.487 0.122 0.000 0.990 254 N HN -0.204 nan 8.380 nan 0.000 0.497 255 S N -0.455 115.313 115.700 0.113 0.000 2.523 255 S HA 0.285 4.756 4.470 0.001 0.000 0.275 255 S C 0.891 175.634 174.600 0.238 0.000 1.281 255 S CA -0.498 57.801 58.200 0.165 0.000 1.050 255 S CB 0.696 64.035 63.200 0.233 0.000 0.937 255 S HN 0.284 nan 8.310 nan 0.000 0.492 256 S N 3.334 119.156 115.700 0.203 0.000 2.335 256 S HA -0.089 4.382 4.470 0.001 0.000 0.217 256 S C 2.113 176.821 174.600 0.181 0.000 1.032 256 S CA 1.425 59.755 58.200 0.218 0.000 0.985 256 S CB -0.461 62.881 63.200 0.236 0.000 0.896 256 S HN 0.958 nan 8.310 nan 0.000 0.445 257 S N 0.883 116.710 115.700 0.213 0.000 2.527 257 S HA 0.188 4.658 4.470 0.001 0.000 0.222 257 S C 1.069 175.814 174.600 0.241 0.000 0.985 257 S CA 0.307 58.621 58.200 0.190 0.000 0.921 257 S CB -0.126 63.284 63.200 0.350 0.000 0.772 257 S HN 0.355 nan 8.310 nan 0.000 0.529 258 K N -0.896 119.690 120.400 0.310 0.000 2.438 258 K HA 0.414 4.735 4.320 0.001 0.000 0.205 258 K C -0.062 176.891 176.600 0.588 0.000 1.033 258 K CA -0.107 56.432 56.287 0.419 0.000 1.089 258 K CB 0.484 33.211 32.500 0.379 0.000 0.857 258 K HN 0.385 nan 8.250 nan 0.000 0.522 259 F N -0.069 120.040 119.950 0.264 0.000 1.772 259 F HA 0.134 4.662 4.527 0.001 0.000 0.237 259 F C 0.731 176.602 175.800 0.118 0.000 1.224 259 F CA 0.032 58.206 58.000 0.289 0.000 1.315 259 F CB 0.550 39.713 39.000 0.272 0.000 1.872 259 F HN -0.339 nan 8.300 nan 0.000 0.307 260 K N 1.047 121.679 120.400 0.388 0.000 2.097 260 K HA 0.010 4.331 4.320 0.001 0.000 0.205 260 K C 1.804 178.421 176.600 0.028 0.000 1.050 260 K CA 1.839 58.265 56.287 0.233 0.000 0.938 260 K CB -0.216 32.437 32.500 0.255 0.000 0.718 260 K HN 0.320 nan 8.250 nan 0.000 0.442 261 L N 0.957 122.175 121.223 -0.007 0.000 2.141 261 L HA -0.160 4.181 4.340 0.001 0.000 0.209 261 L C 1.955 178.728 176.870 -0.162 0.000 1.094 261 L CA 1.099 55.890 54.840 -0.082 0.000 0.763 261 L CB -0.214 41.794 42.059 -0.084 0.000 0.908 261 L HN 0.126 nan 8.230 nan 0.000 0.437 262 E N -0.095 119.924 120.200 -0.301 0.000 2.107 262 E HA -0.228 4.123 4.350 0.001 0.000 0.191 262 E C 2.003 178.400 176.600 -0.338 0.000 0.982 262 E CA 0.856 56.944 56.400 -0.521 0.000 0.809 262 E CB -0.036 28.817 29.700 -1.411 0.000 0.756 262 E HN 0.387 nan 8.360 nan 0.000 0.459 263 E N 0.186 120.225 120.200 -0.268 0.000 2.085 263 E HA -0.208 4.142 4.350 0.001 0.000 0.194 263 E C 1.532 178.129 176.600 -0.005 0.000 0.994 263 E CA 1.663 58.021 56.400 -0.071 0.000 0.801 263 E CB 0.016 29.679 29.700 -0.062 0.000 0.743 263 E HN 0.172 nan 8.360 nan 0.000 0.453 264 T N 1.532 116.048 114.554 -0.064 0.000 2.684 264 T HA -0.152 4.199 4.350 0.001 0.000 0.267 264 T C 1.815 176.432 174.700 -0.139 0.000 1.036 264 T CA 1.254 63.299 62.100 -0.091 0.000 1.148 264 T CB -0.082 68.729 68.868 -0.095 0.000 0.863 264 T HN 0.173 nan 8.240 nan 0.000 0.436 265 I N 1.014 121.507 120.570 -0.129 0.000 2.252 265 I HA -0.050 4.121 4.170 0.001 0.000 0.245 265 I C 2.342 178.390 176.117 -0.114 0.000 1.102 265 I CA 1.137 62.321 61.300 -0.193 0.000 1.385 265 I CB -1.281 36.681 38.000 -0.062 0.000 1.064 265 I HN 0.283 nan 8.210 nan 0.000 0.414 266 L N 0.191 121.476 121.223 0.103 0.000 2.046 266 L HA -0.232 4.109 4.340 0.001 0.000 0.208 266 L C 2.527 179.499 176.870 0.169 0.000 1.077 266 L CA 1.422 56.462 54.840 0.333 0.000 0.747 266 L CB -0.596 41.744 42.059 0.468 0.000 0.896 266 L HN 0.180 nan 8.230 nan 0.000 0.432 267 K N -0.095 120.289 120.400 -0.027 0.000 2.057 267 K HA -0.135 4.185 4.320 0.001 0.000 0.207 267 K C 1.888 178.298 176.600 -0.317 0.000 1.049 267 K CA 1.399 57.469 56.287 -0.362 0.000 0.931 267 K CB -0.030 32.264 32.500 -0.344 0.000 0.714 267 K HN 0.249 nan 8.250 nan 0.000 0.440 268 N N -0.362 118.157 118.700 -0.302 0.000 2.270 268 N HA -0.130 4.610 4.740 0.001 0.000 0.181 268 N C 1.586 176.899 175.510 -0.329 0.000 1.016 268 N CA 1.103 53.956 53.050 -0.327 0.000 0.870 268 N CB -0.182 38.025 38.487 -0.467 0.000 0.979 268 N HN 0.302 nan 8.380 nan 0.000 0.431 269 H N -0.685 118.074 119.070 -0.518 0.000 2.355 269 H HA 0.172 4.729 4.556 0.001 0.000 0.303 269 H C -0.116 174.809 175.328 -0.672 0.000 1.061 269 H CA 0.969 56.643 56.048 -0.625 0.000 1.368 269 H CB -0.076 29.077 29.762 -1.015 0.000 1.412 269 H HN 0.009 nan 8.280 nan 0.000 0.523 270 F N 2.627 122.371 119.950 -0.344 0.000 2.640 270 F HA 0.203 4.730 4.527 0.001 0.000 0.331 270 F C 0.164 175.764 175.800 -0.333 0.000 1.200 270 F CA -0.471 57.356 58.000 -0.289 0.000 1.278 270 F CB -0.145 38.808 39.000 -0.079 0.000 1.571 270 F HN 0.099 nan 8.300 nan 0.000 0.576 271 Q N 2.063 121.730 119.800 -0.222 0.000 2.320 271 Q HA -0.131 4.209 4.340 0.001 0.000 0.311 271 Q C 0.369 176.258 176.000 -0.185 0.000 1.083 271 Q CA 0.495 56.168 55.803 -0.217 0.000 1.001 271 Q CB 0.088 28.717 28.738 -0.182 0.000 1.074 271 Q HN 0.537 nan 8.270 nan 0.000 0.379 272 N N 1.652 120.206 118.700 -0.243 0.000 2.782 272 N HA -0.159 4.581 4.740 0.001 0.000 0.251 272 N C -0.082 175.336 175.510 -0.154 0.000 1.101 272 N CA 0.915 53.852 53.050 -0.189 0.000 0.764 272 N CB -0.415 38.006 38.487 -0.110 0.000 1.122 272 N HN 0.543 nan 8.380 nan 0.000 0.561 273 K N -0.592 119.675 120.400 -0.223 0.000 2.354 273 K HA 0.187 4.508 4.320 0.001 0.000 0.194 273 K C 0.534 177.134 176.600 -0.000 0.000 1.038 273 K CA 0.503 56.763 56.287 -0.046 0.000 1.052 273 K CB 0.471 33.025 32.500 0.090 0.000 0.861 273 K HN 0.397 nan 8.250 nan 0.000 0.535 274 F N -2.572 117.230 119.950 -0.246 0.000 2.713 274 F HA 0.255 4.783 4.527 0.001 0.000 0.311 274 F C 0.863 176.589 175.800 -0.122 0.000 1.141 274 F CA -0.940 56.963 58.000 -0.161 0.000 0.939 274 F CB 0.604 39.460 39.000 -0.240 0.000 1.325 274 F HN -0.169 nan 8.300 nan 0.000 0.453 275 T N -2.326 112.281 114.554 0.090 0.000 2.953 275 T HA 0.334 4.685 4.350 0.001 0.000 0.247 275 T C 0.622 175.371 174.700 0.083 0.000 1.029 275 T CA 1.136 63.225 62.100 -0.018 0.000 1.144 275 T CB -0.313 68.576 68.868 0.034 0.000 0.870 275 T HN 1.042 nan 8.240 nan 0.000 0.446 276 T N -1.429 113.301 114.554 0.293 0.000 2.883 276 T HA 0.631 4.982 4.350 0.001 0.000 0.296 276 T C 0.827 175.742 174.700 0.358 0.000 1.117 276 T CA -0.953 61.345 62.100 0.330 0.000 1.006 276 T CB 1.473 70.461 68.868 0.201 0.000 1.191 276 T HN 0.025 nan 8.240 nan 0.000 0.508 277 L N 0.759 122.121 121.223 0.233 0.000 2.093 277 L HA -0.077 4.264 4.340 0.001 0.000 0.208 277 L C 2.498 179.361 176.870 -0.012 0.000 1.085 277 L CA 1.137 55.984 54.840 0.011 0.000 0.755 277 L CB -0.564 41.438 42.059 -0.095 0.000 0.904 277 L HN 0.676 nan 8.230 nan 0.000 0.435 278 N N 0.144 118.925 118.700 0.136 0.000 2.120 278 N HA -0.194 4.546 4.740 0.001 0.000 0.188 278 N C 1.684 177.213 175.510 0.032 0.000 1.024 278 N CA 1.292 54.378 53.050 0.060 0.000 0.852 278 N CB -0.123 38.419 38.487 0.090 0.000 1.003 278 N HN 0.449 nan 8.380 nan 0.000 0.424 279 E N 0.297 120.552 120.200 0.092 0.000 2.107 279 E HA -0.155 4.196 4.350 0.001 0.000 0.191 279 E C 1.235 177.909 176.600 0.123 0.000 0.982 279 E CA 0.788 57.248 56.400 0.098 0.000 0.809 279 E CB -0.087 29.688 29.700 0.125 0.000 0.756 279 E HN 0.360 nan 8.360 nan 0.000 0.459 280 D N 0.830 121.331 120.400 0.168 0.000 2.117 280 D HA -0.191 4.449 4.640 0.001 0.000 0.197 280 D C 2.070 178.526 176.300 0.261 0.000 0.987 280 D CA 1.128 55.307 54.000 0.299 0.000 0.829 280 D CB 0.061 41.053 40.800 0.321 0.000 0.961 280 D HN -0.035 nan 8.370 nan 0.000 0.460 281 R N -0.181 120.266 120.500 -0.087 0.000 2.120 281 R HA -0.060 4.280 4.340 0.001 0.000 0.234 281 R C 2.015 178.319 176.300 0.008 0.000 1.123 281 R CA 1.351 57.316 56.100 -0.226 0.000 0.975 281 R CB -0.203 29.668 30.300 -0.716 0.000 0.866 281 R HN 0.034 nan 8.270 nan 0.000 0.446 282 S N -0.091 115.608 115.700 -0.001 0.000 2.399 282 S HA -0.087 4.384 4.470 0.001 0.000 0.231 282 S C 1.611 176.199 174.600 -0.020 0.000 1.022 282 S CA 1.253 59.456 58.200 0.005 0.000 0.983 282 S CB 0.053 63.259 63.200 0.010 0.000 0.803 282 S HN 0.588 nan 8.310 nan 0.000 0.480 283 A N -0.273 122.509 122.820 -0.063 0.000 2.220 283 A HA 0.228 4.549 4.320 0.001 0.000 0.211 283 A C 0.344 177.617 177.584 -0.518 0.000 1.176 283 A CA 0.197 52.067 52.037 -0.279 0.000 0.834 283 A CB -0.040 18.750 19.000 -0.351 0.000 0.868 283 A HN 0.554 nan 8.150 nan 0.000 0.488 284 H N -0.909 118.239 119.070 0.130 0.000 2.616 284 H HA 0.206 4.762 4.556 0.001 0.000 0.229 284 H C -2.063 173.393 175.328 0.213 0.000 1.418 284 H CA -1.278 54.858 56.048 0.147 0.000 1.248 284 H CB 0.802 30.664 29.762 0.167 0.000 1.822 284 H HN 0.225 nan 8.280 nan 0.000 0.522 285 P HA -0.154 nan 4.420 nan 0.000 0.218 285 P C 0.948 178.402 177.300 0.257 0.000 1.149 285 P CA 1.064 64.297 63.100 0.222 0.000 0.817 285 P CB 0.575 32.350 31.700 0.125 0.000 0.785 286 N N -0.174 118.638 118.700 0.186 0.000 2.494 286 N HA 0.011 4.752 4.740 0.001 0.000 0.182 286 N C 1.454 177.033 175.510 0.116 0.000 1.076 286 N CA 0.679 53.818 53.050 0.148 0.000 0.908 286 N CB -0.234 38.289 38.487 0.061 0.000 0.967 286 N HN 0.122 nan 8.380 nan 0.000 0.449 287 A N -0.567 122.314 122.820 0.103 0.000 2.251 287 A HA 0.136 4.456 4.320 0.001 0.000 0.209 287 A C -0.321 177.207 177.584 -0.093 0.000 1.187 287 A CA 0.213 52.173 52.037 -0.128 0.000 0.823 287 A CB -0.026 18.806 19.000 -0.281 0.000 0.846 287 A HN 0.149 nan 8.150 nan 0.000 0.486 288 Y N -1.147 119.363 120.300 0.349 0.000 2.492 288 Y HA 0.599 5.150 4.550 0.001 0.000 0.346 288 Y C -0.072 175.997 175.900 0.281 0.000 0.997 288 Y CA -0.865 57.460 58.100 0.375 0.000 1.025 288 Y CB 1.924 40.566 38.460 0.304 0.000 1.263 288 Y HN 0.058 nan 8.280 nan 0.000 0.454 289 K N 2.236 122.722 120.400 0.144 0.000 2.525 289 K HA 0.243 4.564 4.320 0.001 0.000 0.254 289 K C -1.570 174.704 176.600 -0.543 0.000 0.934 289 K CA -0.775 55.358 56.287 -0.256 0.000 0.802 289 K CB 2.063 34.111 32.500 -0.752 0.000 1.295 289 K HN 0.793 nan 8.250 nan 0.000 0.433 290 Q N 4.306 123.823 119.800 -0.471 0.000 2.389 290 Q HA 0.189 4.529 4.340 0.001 0.000 0.244 290 Q C -1.385 174.424 176.000 -0.319 0.000 1.056 290 Q CA 0.295 55.772 55.803 -0.544 0.000 0.908 290 Q CB 0.652 29.245 28.738 -0.241 0.000 1.273 290 Q HN 0.471 nan 8.270 nan 0.000 0.471 291 K N 1.298 121.509 120.400 -0.315 0.000 2.568 291 K HA 0.217 4.538 4.320 0.001 0.000 0.273 291 K C -1.290 175.212 176.600 -0.164 0.000 0.951 291 K CA -0.538 55.615 56.287 -0.222 0.000 0.854 291 K CB 2.180 34.514 32.500 -0.276 0.000 1.424 291 K HN 0.486 nan 8.250 nan 0.000 0.427 292 S N 1.271 116.893 115.700 -0.129 0.000 2.549 292 S HA 0.158 4.628 4.470 0.001 0.000 0.286 292 S C 1.190 175.685 174.600 -0.175 0.000 1.314 292 S CA 0.515 58.651 58.200 -0.105 0.000 1.062 292 S CB 0.998 64.133 63.200 -0.110 0.000 0.865 292 S HN 0.661 nan 8.310 nan 0.000 0.498 293 A N 3.777 126.514 122.820 -0.138 0.000 2.024 293 A HA -0.125 4.196 4.320 0.001 0.000 0.220 293 A C 1.461 178.714 177.584 -0.552 0.000 1.164 293 A CA 1.939 53.835 52.037 -0.235 0.000 0.643 293 A CB -0.884 18.067 19.000 -0.081 0.000 0.806 293 A HN 0.994 nan 8.150 nan 0.000 0.451 294 D N -0.905 119.046 120.400 -0.749 0.000 2.363 294 D HA -0.062 4.578 4.640 0.001 0.000 0.226 294 D C 1.200 177.095 176.300 -0.674 0.000 1.020 294 D CA 1.200 54.435 54.000 -1.275 0.000 0.892 294 D CB -0.731 39.162 40.800 -1.511 0.000 0.900 294 D HN 0.446 nan 8.370 nan 0.000 0.531 295 T N -2.835 111.462 114.554 -0.428 0.000 3.105 295 T HA 0.135 4.485 4.350 0.001 0.000 0.253 295 T C 1.435 175.984 174.700 -0.251 0.000 1.047 295 T CA -0.473 61.453 62.100 -0.289 0.000 0.944 295 T CB -0.211 68.525 68.868 -0.221 0.000 1.016 295 T HN 0.057 nan 8.240 nan 0.000 0.544 296 L N 2.420 123.475 121.223 -0.281 0.000 2.079 296 L HA 0.226 4.566 4.340 0.001 0.000 0.210 296 L C 2.420 179.191 176.870 -0.165 0.000 1.081 296 L CA 2.051 56.767 54.840 -0.207 0.000 0.752 296 L CB -1.105 40.833 42.059 -0.201 0.000 0.896 296 L HN 0.423 nan 8.230 nan 0.000 0.433 297 G N -2.305 106.396 108.800 -0.164 0.000 2.559 297 G HA2 -0.220 3.740 3.960 0.001 0.000 0.216 297 G HA3 -0.220 3.740 3.960 0.001 0.000 0.216 297 G C 1.369 176.206 174.900 -0.106 0.000 1.126 297 G CA 1.001 46.031 45.100 -0.118 0.000 0.778 297 G HN 0.531 nan 8.290 nan 0.000 0.543 298 T N -1.643 112.841 114.554 -0.117 0.000 3.086 298 T HA 0.435 4.786 4.350 0.001 0.000 0.250 298 T C 0.549 175.201 174.700 -0.079 0.000 1.074 298 T CA -0.342 61.702 62.100 -0.093 0.000 0.988 298 T CB -0.097 68.713 68.868 -0.097 0.000 0.988 298 T HN 0.025 nan 8.240 nan 0.000 0.530 299 L N 1.906 123.079 121.223 -0.083 0.000 2.318 299 L HA 0.501 4.842 4.340 0.001 0.000 0.277 299 L C 0.154 176.990 176.870 -0.056 0.000 1.008 299 L CA -0.867 53.952 54.840 -0.034 0.000 0.846 299 L CB 1.623 43.680 42.059 -0.004 0.000 1.220 299 L HN -0.095 nan 8.230 nan 0.000 0.423 300 D N 0.464 120.836 120.400 -0.047 0.000 2.219 300 D HA -0.135 4.505 4.640 0.001 0.000 0.205 300 D C 1.113 177.334 176.300 -0.132 0.000 0.970 300 D CA 1.184 55.136 54.000 -0.080 0.000 0.851 300 D CB 0.286 41.072 40.800 -0.024 0.000 0.943 300 D HN 0.488 nan 8.370 nan 0.000 0.488 301 D N -0.843 119.510 120.400 -0.079 0.000 2.355 301 D HA -0.007 4.633 4.640 0.001 0.000 0.218 301 D C -0.005 175.964 176.300 -0.551 0.000 1.004 301 D CA 0.337 54.209 54.000 -0.214 0.000 0.880 301 D CB 0.250 40.934 40.800 -0.194 0.000 0.911 301 D HN 0.203 nan 8.370 nan 0.000 0.528 302 F N -1.014 118.727 119.950 -0.348 0.000 2.532 302 F HA 0.291 4.819 4.527 0.001 0.000 0.321 302 F C 0.793 176.244 175.800 -0.581 0.000 1.089 302 F CA -0.776 57.038 58.000 -0.310 0.000 0.926 302 F CB 1.710 40.582 39.000 -0.212 0.000 1.168 302 F HN -0.205 nan 8.300 nan 0.000 0.459 303 H N 1.702 120.786 119.070 0.025 0.000 3.398 303 H HA 0.466 5.023 4.556 0.001 0.000 0.260 303 H C -0.712 174.576 175.328 -0.066 0.000 1.189 303 H CA 0.025 56.049 56.048 -0.039 0.000 1.145 303 H CB 0.654 30.355 29.762 -0.101 0.000 1.599 303 H HN 0.295 nan 8.280 nan 0.000 0.615 304 I N 0.762 121.354 120.570 0.037 0.000 2.647 304 I HA 0.702 4.872 4.170 0.001 0.000 0.295 304 I C -0.802 175.329 176.117 0.023 0.000 1.078 304 I CA -1.046 60.264 61.300 0.015 0.000 1.048 304 I CB 2.264 40.200 38.000 -0.107 0.000 1.239 304 I HN 0.103 nan 8.210 nan 0.000 0.421 305 A N 4.682 127.584 122.820 0.137 0.000 2.549 305 A HA 0.843 5.163 4.320 0.001 0.000 0.297 305 A C -1.541 176.295 177.584 0.419 0.000 1.061 305 A CA -0.414 51.688 52.037 0.109 0.000 0.690 305 A CB 1.149 20.203 19.000 0.089 0.000 1.287 305 A HN 0.384 nan 8.150 nan 0.000 0.402 306 F N 1.435 121.537 119.950 0.254 0.000 2.399 306 F HA 0.790 5.318 4.527 0.001 0.000 0.334 306 F C 1.039 177.012 175.800 0.289 0.000 1.097 306 F CA -0.741 57.411 58.000 0.253 0.000 1.076 306 F CB 1.781 40.920 39.000 0.231 0.000 1.162 306 F HN 0.812 nan 8.300 nan 0.000 0.495 307 S N 0.502 116.491 115.700 0.481 0.000 2.643 307 S HA 0.609 5.079 4.470 0.001 0.000 0.270 307 S C -1.320 173.481 174.600 0.336 0.000 1.166 307 S CA -1.162 57.290 58.200 0.420 0.000 0.815 307 S CB 1.371 64.896 63.200 0.543 0.000 1.139 307 S HN 0.360 nan 8.310 nan 0.000 0.472 308 E N 1.575 121.999 120.200 0.374 0.000 2.398 308 E HA 0.229 4.580 4.350 0.001 0.000 0.263 308 E C 0.035 176.808 176.600 0.288 0.000 1.046 308 E CA -0.157 56.492 56.400 0.415 0.000 0.908 308 E CB 0.284 30.366 29.700 0.635 0.000 0.963 308 E HN 0.632 nan 8.360 nan 0.000 0.431 309 E N 1.342 121.706 120.200 0.274 0.000 2.465 309 E HA 0.069 4.419 4.350 0.001 0.000 0.260 309 E C 0.458 177.070 176.600 0.020 0.000 0.980 309 E CA 0.653 57.129 56.400 0.127 0.000 0.927 309 E CB 0.007 29.845 29.700 0.231 0.000 0.934 309 E HN 0.703 nan 8.360 nan 0.000 0.459 310 G N 3.365 111.897 108.800 -0.446 0.000 2.160 310 G HA2 -0.367 3.593 3.960 0.001 0.000 0.251 310 G HA3 -0.367 3.593 3.960 0.001 0.000 0.251 310 G C 0.792 174.961 174.900 -1.219 0.000 1.008 310 G CA 0.827 45.195 45.100 -1.220 0.000 0.724 310 G HN 0.780 nan 8.290 nan 0.000 0.514 311 S N -0.154 115.060 115.700 -0.810 0.000 2.440 311 S HA -0.073 4.397 4.470 0.001 0.000 0.238 311 S C 2.060 176.072 174.600 -0.979 0.000 1.010 311 S CA 1.847 59.350 58.200 -1.162 0.000 0.972 311 S CB -0.660 62.383 63.200 -0.261 0.000 0.774 311 S HN 1.320 nan 8.310 nan 0.000 0.501 312 F N 1.928 121.595 119.950 -0.471 0.000 2.365 312 F HA 0.388 4.915 4.527 0.001 0.000 0.300 312 F C 2.332 178.186 175.800 0.090 0.000 1.090 312 F CA -0.076 57.669 58.000 -0.425 0.000 1.408 312 F CB -1.145 37.239 39.000 -1.026 0.000 1.060 312 F HN 0.268 nan 8.300 nan 0.000 0.534 313 A N 0.681 123.405 122.820 -0.160 0.000 2.070 313 A HA -0.096 4.224 4.320 0.001 0.000 0.220 313 A C 1.414 179.521 177.584 0.872 0.000 1.159 313 A CA 1.293 53.657 52.037 0.546 0.000 0.656 313 A CB -1.434 17.807 19.000 0.401 0.000 0.800 313 A HN 0.828 nan 8.150 nan 0.000 0.453 314 W N -2.155 119.528 121.300 0.638 0.000 2.653 314 W HA 0.516 5.177 4.660 0.001 0.000 0.391 314 W C -0.694 176.195 176.519 0.617 0.000 0.962 314 W CA -0.217 57.480 57.345 0.586 0.000 1.900 314 W CB -0.864 28.819 29.460 0.372 0.000 1.176 314 W HN -0.108 nan 8.180 nan 0.000 0.582 315 T N 1.784 116.678 114.554 0.567 0.000 2.788 315 T HA 0.114 4.464 4.350 0.001 0.000 0.296 315 T C -0.595 174.416 174.700 0.518 0.000 1.009 315 T CA -0.302 62.106 62.100 0.514 0.000 0.949 315 T CB 0.354 69.472 68.868 0.418 0.000 0.946 315 T HN 0.131 nan 8.240 nan 0.000 0.453 316 H N 4.103 123.195 119.070 0.037 0.000 3.070 316 H HA -0.025 4.532 4.556 0.001 0.000 0.313 316 H C 1.276 176.546 175.328 -0.097 0.000 0.997 316 H CA -0.288 55.466 56.048 -0.491 0.000 1.438 316 H CB 0.746 30.100 29.762 -0.680 0.000 1.455 316 H HN 0.617 nan 8.280 nan 0.000 0.575 317 N N 4.471 122.996 118.700 -0.291 0.000 2.512 317 N HA -0.124 4.617 4.740 0.001 0.000 0.183 317 N C 0.638 175.891 175.510 -0.428 0.000 1.073 317 N CA 0.571 53.371 53.050 -0.416 0.000 0.911 317 N CB 0.118 38.005 38.487 -0.999 0.000 0.964 317 N HN 0.440 nan 8.380 nan 0.000 0.447 318 K N 0.565 120.547 120.400 -0.697 0.000 2.487 318 K HA 0.156 4.476 4.320 0.001 0.000 0.192 318 K C -0.050 176.420 176.600 -0.216 0.000 1.027 318 K CA 0.001 56.002 56.287 -0.478 0.000 1.054 318 K CB -0.148 31.988 32.500 -0.607 0.000 0.824 318 K HN 0.196 nan 8.250 nan 0.000 0.510 319 S N 1.201 116.827 115.700 -0.123 0.000 2.558 319 S HA 0.024 4.495 4.470 0.001 0.000 0.293 319 S C 1.449 176.035 174.600 -0.023 0.000 1.292 319 S CA 0.194 58.392 58.200 -0.004 0.000 1.063 319 S CB 1.142 64.374 63.200 0.054 0.000 0.831 319 S HN 0.343 nan 8.310 nan 0.000 0.499 320 A N 2.552 125.370 122.820 -0.005 0.000 2.076 320 A HA -0.103 4.217 4.320 0.001 0.000 0.220 320 A C 2.203 179.774 177.584 -0.021 0.000 1.160 320 A CA 1.722 53.751 52.037 -0.014 0.000 0.653 320 A CB -1.058 17.941 19.000 -0.002 0.000 0.801 320 A HN 0.938 nan 8.150 nan 0.000 0.455 321 T N -3.225 111.320 114.554 -0.016 0.000 3.129 321 T HA 0.104 4.455 4.350 0.001 0.000 0.251 321 T C 0.416 175.088 174.700 -0.047 0.000 1.117 321 T CA 0.333 62.414 62.100 -0.031 0.000 1.034 321 T CB -0.432 68.420 68.868 -0.027 0.000 0.968 321 T HN 0.395 nan 8.240 nan 0.000 0.526 322 K N 1.272 121.648 120.400 -0.041 0.000 3.451 322 K HA -0.088 4.232 4.320 0.001 0.000 0.273 322 K C -2.507 174.071 176.600 -0.037 0.000 0.944 322 K CA 0.415 56.675 56.287 -0.045 0.000 0.734 322 K CB -1.682 30.784 32.500 -0.058 0.000 1.437 322 K HN 0.473 nan 8.250 nan 0.000 0.454 323 P HA 0.010 nan 4.420 nan 0.000 0.268 323 P C 0.394 177.745 177.300 0.085 0.000 1.204 323 P CA -0.003 63.064 63.100 -0.055 0.000 0.768 323 P CB 0.107 31.876 31.700 0.114 0.000 0.842 324 F N -2.002 117.868 119.950 -0.133 0.000 2.914 324 F HA -0.211 4.317 4.527 0.001 0.000 0.304 324 F C 0.959 176.682 175.800 -0.129 0.000 0.712 324 F CA 0.927 58.808 58.000 -0.199 0.000 1.211 324 F CB -1.938 36.908 39.000 -0.256 0.000 1.515 324 F HN 0.360 nan 8.300 nan 0.000 0.350 325 E N 0.699 120.899 120.200 -0.001 0.000 2.383 325 E HA 0.354 4.705 4.350 0.001 0.000 0.264 325 E C 0.466 177.031 176.600 -0.059 0.000 1.050 325 E CA 0.607 56.987 56.400 -0.034 0.000 0.896 325 E CB 1.197 30.864 29.700 -0.055 0.000 0.982 325 E HN 0.188 nan 8.360 nan 0.000 0.424 326 T N 2.378 116.897 114.554 -0.060 0.000 2.883 326 T HA 0.314 4.664 4.350 0.001 0.000 0.296 326 T C -0.831 173.836 174.700 -0.055 0.000 1.117 326 T CA -0.762 61.303 62.100 -0.059 0.000 1.006 326 T CB 1.026 69.865 68.868 -0.049 0.000 1.191 326 T HN 0.368 nan 8.240 nan 0.000 0.508 327 K N 1.063 121.435 120.400 -0.047 0.000 2.397 327 K HA 0.344 4.665 4.320 0.001 0.000 0.265 327 K C 1.435 178.011 176.600 -0.040 0.000 0.982 327 K CA 0.385 56.648 56.287 -0.040 0.000 0.931 327 K CB 0.256 32.739 32.500 -0.030 0.000 0.943 327 K HN 0.637 nan 8.250 nan 0.000 0.501 328 A N 2.311 125.109 122.820 -0.037 0.000 1.902 328 A HA -0.179 4.141 4.320 0.001 0.000 0.217 328 A C 1.303 178.866 177.584 -0.035 0.000 1.181 328 A CA 1.929 53.942 52.037 -0.039 0.000 0.623 328 A CB -0.474 18.505 19.000 -0.035 0.000 0.818 328 A HN 0.876 nan 8.150 nan 0.000 0.443 329 N N 0.183 118.867 118.700 -0.026 0.000 2.295 329 N HA 0.085 4.825 4.740 0.001 0.000 0.221 329 N C -0.423 175.076 175.510 -0.018 0.000 1.129 329 N CA -0.012 53.025 53.050 -0.022 0.000 0.836 329 N CB -0.006 38.472 38.487 -0.016 0.000 1.040 329 N HN 0.585 nan 8.380 nan 0.000 0.494 330 E N 0.258 120.445 120.200 -0.020 0.000 2.263 330 E HA 0.476 4.827 4.350 0.001 0.000 0.264 330 E C -0.789 175.800 176.600 -0.019 0.000 0.923 330 E CA -0.763 55.630 56.400 -0.013 0.000 0.802 330 E CB 1.992 31.688 29.700 -0.006 0.000 1.228 330 E HN 0.109 nan 8.360 nan 0.000 0.417 331 K N 1.155 121.551 120.400 -0.006 0.000 2.435 331 K HA 0.507 4.828 4.320 0.001 0.000 0.251 331 K C -0.981 175.641 176.600 0.037 0.000 0.954 331 K CA -0.753 55.534 56.287 0.001 0.000 0.820 331 K CB 2.423 34.923 32.500 -0.001 0.000 1.292 331 K HN 0.329 nan 8.250 nan 0.000 0.436 332 M N 2.899 122.547 119.600 0.080 0.000 2.167 332 M HA 0.192 4.672 4.480 0.001 0.000 0.333 332 M C -1.178 175.301 176.300 0.298 0.000 1.030 332 M CA -0.090 55.302 55.300 0.153 0.000 0.963 332 M CB 1.135 33.792 32.600 0.096 0.000 1.589 332 M HN 0.668 nan 8.290 nan 0.000 0.431 333 E N 3.834 124.209 120.200 0.293 0.000 2.408 333 E HA 0.742 5.092 4.350 0.001 0.000 0.275 333 E C -1.621 175.058 176.600 0.131 0.000 0.935 333 E CA -1.228 55.316 56.400 0.240 0.000 0.775 333 E CB 1.687 31.439 29.700 0.088 0.000 1.277 333 E HN 0.680 nan 8.360 nan 0.000 0.455 334 A N 1.991 124.710 122.820 -0.168 0.000 2.409 334 A HA 0.276 4.597 4.320 0.001 0.000 0.262 334 A C 0.342 177.758 177.584 -0.280 0.000 1.113 334 A CA -0.482 51.289 52.037 -0.442 0.000 0.790 334 A CB 0.430 19.050 19.000 -0.634 0.000 1.046 334 A HN 0.659 nan 8.150 nan 0.000 0.496 335 L N 3.106 124.152 121.223 -0.294 0.000 2.269 335 L HA 0.580 4.921 4.340 0.001 0.000 0.200 335 L C 0.440 177.085 176.870 -0.374 0.000 1.069 335 L CA 1.249 55.890 54.840 -0.332 0.000 0.804 335 L CB 0.068 41.904 42.059 -0.372 0.000 0.987 335 L HN 0.732 nan 8.230 nan 0.000 0.468 336 I N -1.014 119.353 120.570 -0.339 0.000 2.882 336 I HA 0.337 4.508 4.170 0.001 0.000 0.298 336 I C -0.996 175.004 176.117 -0.194 0.000 1.462 336 I CA -0.890 60.263 61.300 -0.244 0.000 1.000 336 I CB 1.952 39.810 38.000 -0.236 0.000 1.340 336 I HN -0.083 nan 8.210 nan 0.000 0.462 337 V N 1.702 121.543 119.914 -0.122 0.000 3.406 337 V HA 0.799 4.920 4.120 0.001 0.000 0.305 337 V C 0.162 176.231 176.094 -0.042 0.000 1.136 337 V CA 0.322 62.567 62.300 -0.092 0.000 1.011 337 V CB 1.231 33.025 31.823 -0.049 0.000 1.221 337 V HN 0.874 nan 8.190 nan 0.000 0.454 338 T N -1.387 113.144 114.554 -0.039 0.000 2.870 338 T HA 0.486 4.836 4.350 0.001 0.000 0.277 338 T C 0.033 174.709 174.700 -0.040 0.000 1.000 338 T CA -0.878 61.201 62.100 -0.036 0.000 0.982 338 T CB 0.865 69.689 68.868 -0.074 0.000 1.249 338 T HN 0.771 nan 8.240 nan 0.000 0.589 339 N N 2.517 121.197 118.700 -0.033 0.000 2.415 339 N HA 0.336 5.077 4.740 0.001 0.000 0.248 339 N C -2.367 173.072 175.510 -0.118 0.000 1.271 339 N CA -1.146 51.856 53.050 -0.080 0.000 0.913 339 N CB 0.108 38.645 38.487 0.082 0.000 1.129 339 N HN 0.551 nan 8.380 nan 0.000 0.444 340 P HA 0.428 nan 4.420 nan 0.000 0.290 340 P C -0.699 176.612 177.300 0.019 0.000 1.275 340 P CA -0.476 62.584 63.100 -0.067 0.000 0.841 340 P CB 1.208 32.781 31.700 -0.211 0.000 1.042 341 I N -1.971 118.648 120.570 0.081 0.000 3.042 341 I HA 0.679 4.849 4.170 0.001 0.000 0.310 341 I C -3.023 173.285 176.117 0.317 0.000 1.117 341 I CA -3.660 57.744 61.300 0.173 0.000 1.003 341 I CB 2.002 40.110 38.000 0.181 0.000 1.228 341 I HN 0.000 nan 8.210 nan 0.000 0.443 342 P HA 0.122 nan 4.420 nan 0.000 0.270 342 P C -1.112 176.425 177.300 0.394 0.000 1.223 342 P CA 0.325 63.611 63.100 0.310 0.000 0.785 342 P CB 0.309 32.115 31.700 0.178 0.000 0.923 343 Y N 0.456 120.843 120.300 0.145 0.000 2.219 343 Y HA 0.025 4.576 4.550 0.001 0.000 0.375 343 Y C 1.123 176.977 175.900 -0.077 0.000 1.333 343 Y CA -0.206 57.889 58.100 -0.010 0.000 1.799 343 Y CB 0.366 38.764 38.460 -0.103 0.000 1.611 343 Y HN 0.338 nan 8.280 nan 0.000 0.635 344 D N 0.268 120.500 120.400 -0.279 0.000 2.362 344 D HA 0.248 4.888 4.640 0.001 0.000 0.242 344 D C -1.093 175.063 176.300 -0.239 0.000 1.132 344 D CA 0.218 54.029 54.000 -0.315 0.000 0.907 344 D CB 1.083 41.641 40.800 -0.404 0.000 1.195 344 D HN 0.084 nan 8.370 nan 0.000 0.429 345 V N 0.755 120.543 119.914 -0.209 0.000 2.495 345 V HA 0.578 4.698 4.120 0.001 0.000 0.298 345 V C 0.673 176.603 176.094 -0.272 0.000 1.031 345 V CA -0.894 61.316 62.300 -0.150 0.000 0.871 345 V CB 1.926 33.747 31.823 -0.003 0.000 0.988 345 V HN 0.598 nan 8.190 nan 0.000 0.432 346 G N 3.436 112.066 108.800 -0.284 0.000 2.353 346 G HA2 0.575 4.535 3.960 0.001 0.000 0.284 346 G HA3 0.575 4.535 3.960 0.001 0.000 0.284 346 G C -0.577 174.025 174.900 -0.496 0.000 1.172 346 G CA -0.229 44.553 45.100 -0.530 0.000 0.854 346 G HN 0.921 nan 8.290 nan 0.000 0.485 347 V N -0.020 119.414 119.914 -0.801 0.000 2.735 347 V HA 0.763 4.883 4.120 0.001 0.000 0.310 347 V C -0.895 174.934 176.094 -0.442 0.000 1.061 347 V CA -1.473 60.572 62.300 -0.425 0.000 0.913 347 V CB 1.563 33.208 31.823 -0.296 0.000 1.005 347 V HN 0.477 nan 8.190 nan 0.000 0.428 348 F N 2.207 122.167 119.950 0.017 0.000 2.432 348 F HA 0.722 5.249 4.527 0.001 0.000 0.329 348 F C 1.016 176.833 175.800 0.029 0.000 1.076 348 F CA -0.774 57.294 58.000 0.113 0.000 1.018 348 F CB 1.601 40.695 39.000 0.157 0.000 1.201 348 F HN 0.734 nan 8.300 nan 0.000 0.489 349 R N 1.675 122.320 120.500 0.242 0.000 2.784 349 R HA 0.125 4.466 4.340 0.001 0.000 0.266 349 R C 0.761 177.143 176.300 0.136 0.000 1.044 349 R CA -0.462 55.719 56.100 0.136 0.000 1.151 349 R CB 0.499 30.855 30.300 0.094 0.000 1.037 349 R HN 0.774 nan 8.270 nan 0.000 0.478 350 K N 0.887 121.334 120.400 0.080 0.000 2.148 350 K HA -0.054 4.266 4.320 0.001 0.000 0.204 350 K C 0.904 177.521 176.600 0.027 0.000 1.050 350 K CA 1.423 57.743 56.287 0.055 0.000 0.942 350 K CB 0.147 32.671 32.500 0.040 0.000 0.724 350 K HN 0.637 nan 8.250 nan 0.000 0.446 351 S N 0.507 116.220 115.700 0.022 0.000 2.631 351 S HA 0.086 4.556 4.470 0.001 0.000 0.217 351 S C -0.093 174.488 174.600 -0.032 0.000 0.958 351 S CA -0.317 57.882 58.200 -0.000 0.000 0.920 351 S CB 0.432 63.636 63.200 0.006 0.000 0.776 351 S HN -0.002 nan 8.310 nan 0.000 0.517 352 V N 3.933 123.816 119.914 -0.052 0.000 2.585 352 V HA 0.030 4.150 4.120 0.001 0.000 0.296 352 V C 0.931 176.911 176.094 -0.190 0.000 1.035 352 V CA -0.628 61.586 62.300 -0.143 0.000 1.084 352 V CB 0.297 32.008 31.823 -0.187 0.000 0.953 352 V HN 0.485 nan 8.190 nan 0.000 0.483 353 N N 4.195 122.778 118.700 -0.196 0.000 2.357 353 N HA -0.067 4.674 4.740 0.001 0.000 0.257 353 N C 1.043 176.459 175.510 -0.157 0.000 1.250 353 N CA 0.324 53.297 53.050 -0.129 0.000 0.862 353 N CB 0.655 39.089 38.487 -0.089 0.000 1.066 353 N HN 0.778 nan 8.380 nan 0.000 0.468 354 Q N 3.188 122.939 119.800 -0.081 0.000 2.124 354 Q HA -0.132 4.209 4.340 0.001 0.000 0.202 354 Q C 1.808 177.781 176.000 -0.045 0.000 0.977 354 Q CA 1.249 57.003 55.803 -0.081 0.000 0.850 354 Q CB 0.162 28.887 28.738 -0.021 0.000 0.901 354 Q HN 0.722 nan 8.270 nan 0.000 0.429 355 L N 0.010 121.253 121.223 0.032 0.000 2.093 355 L HA -0.183 4.158 4.340 0.001 0.000 0.208 355 L C 2.381 179.310 176.870 0.099 0.000 1.085 355 L CA 1.190 56.093 54.840 0.105 0.000 0.755 355 L CB -0.419 41.766 42.059 0.211 0.000 0.904 355 L HN 0.287 nan 8.230 nan 0.000 0.435 356 E N 0.035 120.230 120.200 -0.008 0.000 2.072 356 E HA -0.240 4.110 4.350 0.001 0.000 0.191 356 E C 2.223 178.763 176.600 -0.100 0.000 0.985 356 E CA 1.042 57.332 56.400 -0.184 0.000 0.801 356 E CB 0.093 29.347 29.700 -0.744 0.000 0.750 356 E HN 0.504 nan 8.360 nan 0.000 0.452 357 Q N 0.046 119.664 119.800 -0.303 0.000 2.061 357 Q HA -0.166 4.174 4.340 0.001 0.000 0.204 357 Q C 2.031 178.007 176.000 -0.040 0.000 0.984 357 Q CA 1.376 56.873 55.803 -0.510 0.000 0.846 357 Q CB -0.132 28.147 28.738 -0.765 0.000 0.902 357 Q HN 0.279 nan 8.270 nan 0.000 0.421 358 N N 0.632 119.335 118.700 0.005 0.000 2.244 358 N HA -0.092 4.649 4.740 0.001 0.000 0.183 358 N C 1.844 177.419 175.510 0.109 0.000 1.016 358 N CA 0.867 53.966 53.050 0.080 0.000 0.866 358 N CB -0.150 38.371 38.487 0.057 0.000 0.980 358 N HN 0.219 nan 8.380 nan 0.000 0.430 359 L N 0.591 121.881 121.223 0.111 0.000 2.093 359 L HA -0.050 4.291 4.340 0.001 0.000 0.208 359 L C 2.146 179.152 176.870 0.226 0.000 1.085 359 L CA 0.755 55.641 54.840 0.076 0.000 0.755 359 L CB -0.284 41.718 42.059 -0.095 0.000 0.904 359 L HN 0.087 nan 8.230 nan 0.000 0.435 360 I N -1.041 119.790 120.570 0.436 0.000 2.179 360 I HA -0.259 3.911 4.170 0.001 0.000 0.242 360 I C 2.460 178.831 176.117 0.425 0.000 1.088 360 I CA 1.007 62.624 61.300 0.529 0.000 1.357 360 I CB -0.267 38.103 38.000 0.617 0.000 1.051 360 I HN 0.003 nan 8.210 nan 0.000 0.409 361 V N 0.483 120.620 119.914 0.372 0.000 2.255 361 V HA -0.342 3.778 4.120 0.001 0.000 0.247 361 V C 2.480 178.697 176.094 0.205 0.000 1.051 361 V CA 2.205 64.686 62.300 0.302 0.000 1.018 361 V CB -0.713 31.260 31.823 0.249 0.000 0.641 361 V HN 0.437 nan 8.190 nan 0.000 0.445 362 Q N -0.076 119.800 119.800 0.126 0.000 2.170 362 Q HA -0.168 4.172 4.340 0.001 0.000 0.203 362 Q C 2.136 178.118 176.000 -0.030 0.000 0.976 362 Q CA 2.293 58.127 55.803 0.052 0.000 0.858 362 Q CB -0.578 28.169 28.738 0.016 0.000 0.907 362 Q HN 0.671 nan 8.270 nan 0.000 0.433 363 T N -0.123 114.360 114.554 -0.119 0.000 2.746 363 T HA -0.095 4.256 4.350 0.001 0.000 0.267 363 T C 1.159 175.605 174.700 -0.423 0.000 1.039 363 T CA 1.261 63.100 62.100 -0.436 0.000 1.142 363 T CB -0.387 67.913 68.868 -0.948 0.000 0.866 363 T HN 0.246 nan 8.240 nan 0.000 0.444 364 F N 1.137 120.929 119.950 -0.263 0.000 2.095 364 F HA -0.025 4.502 4.527 0.001 0.000 0.298 364 F C 2.171 177.883 175.800 -0.146 0.000 1.104 364 F CA 0.935 58.763 58.000 -0.288 0.000 1.232 364 F CB -0.625 38.001 39.000 -0.623 0.000 0.987 364 F HN 0.117 nan 8.300 nan 0.000 0.475 365 I N -0.022 120.645 120.570 0.161 0.000 2.163 365 I HA -0.362 3.808 4.170 0.001 0.000 0.243 365 I C 1.983 178.178 176.117 0.130 0.000 1.085 365 I CA 1.437 62.860 61.300 0.205 0.000 1.347 365 I CB -0.557 37.533 38.000 0.150 0.000 1.044 365 I HN 0.142 nan 8.210 nan 0.000 0.408 366 N N 0.705 119.425 118.700 0.033 0.000 2.216 366 N HA -0.065 4.675 4.740 0.001 0.000 0.183 366 N C 1.937 177.449 175.510 0.004 0.000 1.017 366 N CA 1.062 54.112 53.050 -0.001 0.000 0.861 366 N CB -0.399 38.054 38.487 -0.058 0.000 0.986 366 N HN 0.307 nan 8.380 nan 0.000 0.428 367 L N 0.548 121.758 121.223 -0.021 0.000 2.012 367 L HA -0.142 4.199 4.340 0.001 0.000 0.210 367 L C 2.346 179.291 176.870 0.126 0.000 1.073 367 L CA 1.366 56.218 54.840 0.021 0.000 0.748 367 L CB -0.613 41.456 42.059 0.016 0.000 0.891 367 L HN 0.147 nan 8.230 nan 0.000 0.431 368 A N 0.079 123.034 122.820 0.225 0.000 1.902 368 A HA -0.249 4.071 4.320 0.001 0.000 0.217 368 A C 2.406 180.062 177.584 0.120 0.000 1.181 368 A CA 1.916 54.089 52.037 0.228 0.000 0.623 368 A CB -0.467 18.731 19.000 0.330 0.000 0.818 368 A HN 0.361 nan 8.150 nan 0.000 0.443 369 K N -0.403 120.059 120.400 0.103 0.000 2.148 369 K HA -0.118 4.202 4.320 0.001 0.000 0.204 369 K C 0.607 177.231 176.600 0.039 0.000 1.050 369 K CA 1.416 57.738 56.287 0.059 0.000 0.942 369 K CB -0.169 32.361 32.500 0.049 0.000 0.724 369 K HN 0.403 nan 8.250 nan 0.000 0.446 370 N N 1.346 120.068 118.700 0.038 0.000 2.314 370 N HA -0.002 4.738 4.740 0.001 0.000 0.200 370 N C -0.626 174.903 175.510 0.031 0.000 1.135 370 N CA 0.239 53.303 53.050 0.023 0.000 0.835 370 N CB 0.617 39.108 38.487 0.007 0.000 0.989 370 N HN 0.106 nan 8.380 nan 0.000 0.478 371 K N 0.237 120.666 120.400 0.047 0.000 3.016 371 K HA -0.219 4.102 4.320 0.001 0.000 0.262 371 K C 0.219 176.858 176.600 0.065 0.000 1.043 371 K CA 0.578 56.896 56.287 0.051 0.000 0.761 371 K CB -2.089 30.428 32.500 0.028 0.000 1.230 371 K HN 0.530 nan 8.250 nan 0.000 0.485 372 Q N 0.084 119.932 119.800 0.080 0.000 2.282 372 Q HA 0.015 4.355 4.340 0.001 0.000 0.206 372 Q C 0.010 176.113 176.000 0.173 0.000 0.878 372 Q CA -0.136 55.721 55.803 0.090 0.000 0.944 372 Q CB 0.385 29.148 28.738 0.040 0.000 1.100 372 Q HN 0.208 nan 8.270 nan 0.000 0.509 373 D N 1.000 121.535 120.400 0.224 0.000 2.393 373 D HA -0.002 4.638 4.640 0.001 0.000 0.232 373 D C 0.847 177.311 176.300 0.273 0.000 1.192 373 D CA 0.079 54.300 54.000 0.369 0.000 0.882 373 D CB 1.105 42.162 40.800 0.428 0.000 1.038 373 D HN 0.111 nan 8.370 nan 0.000 0.499 374 T N 0.915 115.662 114.554 0.321 0.000 3.107 374 T HA -0.056 4.295 4.350 0.001 0.000 0.249 374 T C 1.365 176.169 174.700 0.174 0.000 1.096 374 T CA 0.132 62.359 62.100 0.212 0.000 1.012 374 T CB -0.251 68.753 68.868 0.227 0.000 0.977 374 T HN 0.420 nan 8.240 nan 0.000 0.527 375 Y N 1.983 122.228 120.300 -0.091 0.000 2.351 375 Y HA 0.438 4.989 4.550 0.001 0.000 0.291 375 Y C 2.463 178.207 175.900 -0.259 0.000 1.153 375 Y CA 0.490 58.410 58.100 -0.301 0.000 1.193 375 Y CB -0.652 37.252 38.460 -0.926 0.000 1.187 375 Y HN 0.122 nan 8.280 nan 0.000 0.524 376 G N 1.531 110.165 108.800 -0.276 0.000 2.599 376 G HA2 -0.289 3.672 3.960 0.001 0.000 0.219 376 G HA3 -0.289 3.672 3.960 0.001 0.000 0.219 376 G C -0.622 174.038 174.900 -0.400 0.000 1.193 376 G CA 1.351 46.312 45.100 -0.233 0.000 0.778 376 G HN 0.399 nan 8.290 nan 0.000 0.589 377 P HA 0.007 nan 4.420 nan 0.000 0.222 377 P C 1.845 178.942 177.300 -0.338 0.000 1.147 377 P CA 0.551 63.481 63.100 -0.282 0.000 0.790 377 P CB -0.102 31.488 31.700 -0.184 0.000 0.780 378 L N -1.655 119.368 121.223 -0.332 0.000 2.376 378 L HA -0.051 4.290 4.340 0.001 0.000 0.219 378 L C 1.792 178.410 176.870 -0.420 0.000 1.133 378 L CA 0.950 55.637 54.840 -0.255 0.000 0.816 378 L CB -0.454 41.585 42.059 -0.032 0.000 0.933 378 L HN 0.043 nan 8.230 nan 0.000 0.449 379 L N -1.370 119.417 121.223 -0.727 0.000 2.766 379 L HA 0.315 4.655 4.340 0.001 0.000 0.242 379 L C 1.343 177.625 176.870 -0.980 0.000 1.136 379 L CA 0.607 54.868 54.840 -0.965 0.000 0.933 379 L CB 0.343 41.531 42.059 -1.451 0.000 1.241 379 L HN 0.381 nan 8.230 nan 0.000 0.522 380 G N -0.526 107.844 108.800 -0.717 0.000 2.179 380 G HA2 -0.272 3.689 3.960 0.001 0.000 0.220 380 G HA3 -0.272 3.689 3.960 0.001 0.000 0.220 380 G C -0.235 174.463 174.900 -0.335 0.000 0.990 380 G CA -0.501 44.304 45.100 -0.491 0.000 0.646 380 G HN 0.183 nan 8.290 nan 0.000 0.517 381 Y N 1.316 121.427 120.300 -0.315 0.000 2.477 381 Y HA 0.528 5.078 4.550 0.001 0.000 0.349 381 Y C 1.014 176.658 175.900 -0.427 0.000 0.977 381 Y CA -1.426 56.444 58.100 -0.383 0.000 1.214 381 Y CB 0.287 38.515 38.460 -0.386 0.000 1.124 381 Y HN 0.185 nan 8.280 nan 0.000 0.521 382 N N 1.110 119.634 118.700 -0.293 0.000 2.236 382 N HA 0.350 5.091 4.740 0.001 0.000 0.196 382 N C 0.500 175.847 175.510 -0.272 0.000 1.114 382 N CA 0.049 52.940 53.050 -0.265 0.000 0.859 382 N CB 0.933 39.261 38.487 -0.265 0.000 0.982 382 N HN 0.768 nan 8.380 nan 0.000 0.493 383 G N -0.508 108.024 108.800 -0.447 0.000 2.559 383 G HA2 0.515 4.475 3.960 0.001 0.000 0.291 383 G HA3 0.515 4.475 3.960 0.001 0.000 0.291 383 G C -2.197 172.315 174.900 -0.646 0.000 1.424 383 G CA -0.571 44.307 45.100 -0.369 0.000 0.786 383 G HN 0.030 nan 8.290 nan 0.000 0.485 384 Y N -0.618 119.687 120.300 0.009 0.000 2.544 384 Y HA 0.699 5.250 4.550 0.001 0.000 0.342 384 Y C -0.007 175.904 175.900 0.019 0.000 1.062 384 Y CA -0.921 57.177 58.100 -0.003 0.000 1.023 384 Y CB 2.941 41.422 38.460 0.034 0.000 1.308 384 Y HN 0.466 nan 8.280 nan 0.000 0.457 385 K N 1.175 121.677 120.400 0.171 0.000 2.469 385 K HA 0.416 4.736 4.320 0.001 0.000 0.254 385 K C -1.317 175.360 176.600 0.129 0.000 0.939 385 K CA -1.239 55.123 56.287 0.125 0.000 0.812 385 K CB 2.616 35.167 32.500 0.085 0.000 1.301 385 K HN 0.502 nan 8.250 nan 0.000 0.433 386 K N 2.268 122.740 120.400 0.120 0.000 2.326 386 K HA 0.225 4.545 4.320 0.001 0.000 0.275 386 K C -0.646 176.027 176.600 0.122 0.000 1.018 386 K CA -0.187 56.175 56.287 0.125 0.000 0.962 386 K CB 0.431 32.999 32.500 0.112 0.000 0.953 386 K HN 0.465 nan 8.250 nan 0.000 0.475 387 I N 4.610 125.265 120.570 0.141 0.000 2.352 387 I HA -0.001 4.169 4.170 0.001 0.000 0.290 387 I C 0.560 176.760 176.117 0.139 0.000 1.036 387 I CA -0.226 61.165 61.300 0.152 0.000 1.336 387 I CB 1.236 39.360 38.000 0.206 0.000 1.407 387 I HN 0.781 nan 8.210 nan 0.000 0.497 388 D N 4.259 124.730 120.400 0.119 0.000 2.262 388 D HA -0.015 4.625 4.640 0.001 0.000 0.212 388 D C 0.496 176.863 176.300 0.111 0.000 0.964 388 D CA 1.037 55.098 54.000 0.103 0.000 0.875 388 D CB 0.336 41.185 40.800 0.081 0.000 0.996 388 D HN 0.584 nan 8.370 nan 0.000 0.497 389 N N -0.224 118.549 118.700 0.122 0.000 2.581 389 N HA 0.023 4.764 4.740 0.001 0.000 0.279 389 N C -0.006 175.605 175.510 0.168 0.000 1.124 389 N CA -0.318 52.812 53.050 0.133 0.000 0.833 389 N CB 0.856 39.397 38.487 0.090 0.000 1.338 389 N HN -0.284 nan 8.380 nan 0.000 0.533 390 F N 3.091 123.076 119.950 0.059 0.000 2.095 390 F HA -0.176 4.351 4.527 0.001 0.000 0.298 390 F C 2.345 178.181 175.800 0.060 0.000 1.104 390 F CA 1.803 59.838 58.000 0.059 0.000 1.232 390 F CB 0.076 39.111 39.000 0.058 0.000 0.987 390 F HN 0.611 nan 8.300 nan 0.000 0.475 391 Q N 0.492 120.358 119.800 0.109 0.000 2.050 391 Q HA -0.188 4.152 4.340 0.001 0.000 0.202 391 Q C 2.279 178.250 176.000 -0.049 0.000 0.980 391 Q CA 2.034 57.837 55.803 -0.001 0.000 0.840 391 Q CB -0.224 28.562 28.738 0.080 0.000 0.898 391 Q HN 0.371 nan 8.270 nan 0.000 0.424 392 K N -0.435 119.965 120.400 0.001 0.000 2.116 392 K HA -0.069 4.252 4.320 0.001 0.000 0.203 392 K C 1.819 178.408 176.600 -0.017 0.000 1.052 392 K CA 1.253 57.540 56.287 -0.001 0.000 0.952 392 K CB 0.141 32.656 32.500 0.024 0.000 0.729 392 K HN 0.228 nan 8.250 nan 0.000 0.446 393 E N -0.258 119.929 120.200 -0.021 0.000 2.299 393 E HA -0.049 4.301 4.350 0.001 0.000 0.193 393 E C 1.305 177.867 176.600 -0.063 0.000 0.998 393 E CA 0.546 56.941 56.400 -0.009 0.000 0.851 393 E CB 0.413 30.136 29.700 0.037 0.000 0.795 393 E HN 0.177 nan 8.360 nan 0.000 0.492 394 I N -0.792 119.641 120.570 -0.229 0.000 3.623 394 I HA -0.055 4.115 4.170 0.001 0.000 0.253 394 I C 2.180 178.130 176.117 -0.279 0.000 1.144 394 I CA 0.404 61.515 61.300 -0.315 0.000 1.461 394 I CB -0.915 36.697 38.000 -0.646 0.000 1.575 394 I HN -0.090 nan 8.210 nan 0.000 0.445 395 V N 1.458 121.101 119.914 -0.452 0.000 2.287 395 V HA -0.264 3.857 4.120 0.001 0.000 0.248 395 V C 2.457 178.552 176.094 0.002 0.000 1.053 395 V CA 2.046 64.234 62.300 -0.188 0.000 1.027 395 V CB -0.631 31.096 31.823 -0.159 0.000 0.646 395 V HN 0.400 nan 8.190 nan 0.000 0.447 396 E N -0.447 119.738 120.200 -0.024 0.000 2.106 396 E HA -0.144 4.206 4.350 0.001 0.000 0.192 396 E C 2.205 178.828 176.600 0.037 0.000 0.984 396 E CA 1.217 57.624 56.400 0.012 0.000 0.806 396 E CB -0.065 29.634 29.700 -0.002 0.000 0.750 396 E HN 0.446 nan 8.360 nan 0.000 0.458 397 V N 0.585 120.529 119.914 0.051 0.000 2.343 397 V HA -0.273 3.847 4.120 0.001 0.000 0.247 397 V C 2.022 178.193 176.094 0.127 0.000 1.051 397 V CA 1.934 64.290 62.300 0.094 0.000 1.036 397 V CB -0.574 31.308 31.823 0.098 0.000 0.654 397 V HN 0.370 nan 8.190 nan 0.000 0.451 398 Y N 1.235 121.541 120.300 0.010 0.000 2.181 398 Y HA -0.178 4.372 4.550 0.001 0.000 0.288 398 Y C 2.604 178.521 175.900 0.028 0.000 1.146 398 Y CA 1.845 59.959 58.100 0.022 0.000 1.164 398 Y CB -0.115 38.348 38.460 0.005 0.000 0.982 398 Y HN 0.234 nan 8.280 nan 0.000 0.515 399 E N 0.577 120.768 120.200 -0.015 0.000 2.106 399 E HA -0.216 4.134 4.350 0.001 0.000 0.192 399 E C 2.103 178.636 176.600 -0.112 0.000 0.984 399 E CA 1.231 57.573 56.400 -0.098 0.000 0.806 399 E CB -0.295 29.420 29.700 0.025 0.000 0.750 399 E HN 0.490 nan 8.360 nan 0.000 0.458 400 K N 0.739 121.108 120.400 -0.052 0.000 2.097 400 K HA -0.082 4.239 4.320 0.001 0.000 0.206 400 K C 2.027 178.617 176.600 -0.017 0.000 1.049 400 K CA 1.165 57.424 56.287 -0.046 0.000 0.933 400 K CB -0.043 32.436 32.500 -0.034 0.000 0.717 400 K HN 0.063 nan 8.250 nan 0.000 0.442 401 A N 1.186 123.998 122.820 -0.013 0.000 1.969 401 A HA -0.066 4.254 4.320 0.001 0.000 0.218 401 A C 1.918 179.443 177.584 -0.099 0.000 1.169 401 A CA 1.440 53.478 52.037 0.000 0.000 0.635 401 A CB -0.581 18.392 19.000 -0.045 0.000 0.810 401 A HN 0.564 nan 8.150 nan 0.000 0.445 402 I N -2.312 118.127 120.570 -0.218 0.000 3.956 402 I HA 0.207 4.377 4.170 0.001 0.000 0.333 402 I C 0.420 176.459 176.117 -0.130 0.000 1.302 402 I CA -0.442 60.734 61.300 -0.207 0.000 1.122 402 I CB -0.113 37.687 38.000 -0.333 0.000 1.013 402 I HN 0.167 nan 8.210 nan 0.000 0.405 403 K N 0.000 120.337 120.400 -0.104 0.000 2.780 403 K HA 0.000 4.320 4.320 0.001 0.000 0.191 403 K CA 0.000 56.239 56.287 -0.080 0.000 0.838 403 K CB 0.000 32.458 32.500 -0.070 0.000 1.064 403 K HN 0.000 nan 8.250 nan 0.000 0.543