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 1o7d_1_A DATA FIRST_RESID 51 DATA SEQUENCE GYKTCPKVKP DMLNVHLVPH THDDVGWLKT VDQYFYGIYN NIQPAGVQYI DATA SEQUENCE LDSVISSLLA NPTRRFIYVE IAFFSRWWRQ QTNATQKIVR ELVRQGRLEF DATA SEQUENCE ANGGWVMNDE ATTHYGAIID QMTLGLRFLE ETFGSDGRPR VAWHIDPFGH DATA SEQUENCE SREQASLFAQ MGFDGFFFGR LDYQDKKVRK KTLQMEQVWR ASTSLKPPTA DATA SEQUENCE DLFTSVLPNM YNPPEGLCWD MLCADKPVVE DTRSPEYNAK ELVRYFLKLA DATA SEQUENCE TDQGKLYRTK HTVMTMGSDF QYENANTWFK NLDKLIQLVN AQ 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 51 G HA2 0.000 nan 3.960 nan 0.000 0.244 51 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 51 G C 0.000 174.765 174.900 -0.225 0.000 0.946 51 G CA 0.000 44.965 45.100 -0.224 0.000 0.502 52 Y N 1.866 122.152 120.300 -0.023 0.000 2.420 52 Y HA 0.247 4.796 4.550 -0.000 0.000 0.292 52 Y C 3.117 179.003 175.900 -0.023 0.000 1.119 52 Y CA 2.041 60.125 58.100 -0.027 0.000 1.229 52 Y CB -0.295 38.150 38.460 -0.025 0.000 1.026 52 Y HN 0.464 nan 8.280 nan 0.000 0.554 53 K N -0.193 120.278 120.400 0.119 0.000 2.504 53 K HA 0.010 4.330 4.320 -0.000 0.000 0.195 53 K C 1.553 178.175 176.600 0.037 0.000 1.036 53 K CA 1.670 57.997 56.287 0.067 0.000 0.984 53 K CB -1.368 31.159 32.500 0.045 0.000 0.788 53 K HN 0.356 nan 8.250 nan 0.000 0.488 54 T N -0.116 114.451 114.554 0.021 0.000 3.069 54 T HA 0.142 4.492 4.350 -0.000 0.000 0.252 54 T C 0.754 175.457 174.700 0.006 0.000 1.053 54 T CA -0.312 61.788 62.100 -0.000 0.000 0.964 54 T CB -0.615 68.234 68.868 -0.031 0.000 1.005 54 T HN 0.556 nan 8.240 nan 0.000 0.532 55 C N 3.537 122.856 119.300 0.031 0.000 2.702 55 C HA 0.233 4.693 4.460 -0.000 0.000 0.411 55 C C -1.179 173.833 174.990 0.036 0.000 1.286 55 C CA -1.204 57.836 59.018 0.037 0.000 1.979 55 C CB -0.090 27.694 27.740 0.073 0.000 2.728 55 C HN 0.405 nan 8.230 nan 0.000 0.652 56 P HA 0.232 nan 4.420 nan 0.000 0.274 56 P C -0.914 176.419 177.300 0.054 0.000 1.260 56 P CA -0.408 62.719 63.100 0.046 0.000 0.793 56 P CB 0.420 32.156 31.700 0.060 0.000 1.048 57 K N 0.883 121.309 120.400 0.044 0.000 2.267 57 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 57 K C -0.778 175.854 176.600 0.052 0.000 1.078 57 K CA -0.578 55.736 56.287 0.044 0.000 0.903 57 K CB -0.274 32.243 32.500 0.029 0.000 1.111 57 K HN 0.230 nan 8.250 nan 0.000 0.475 58 V N 4.294 124.255 119.914 0.079 0.000 2.732 58 V HA 0.325 4.445 4.120 -0.000 0.000 0.297 58 V C -0.554 175.580 176.094 0.067 0.000 1.060 58 V CA -0.295 62.069 62.300 0.106 0.000 1.038 58 V CB 0.790 32.749 31.823 0.228 0.000 1.003 58 V HN 0.786 nan 8.190 nan 0.000 0.481 59 K N 6.718 127.141 120.400 0.038 0.000 2.290 59 K HA 0.390 4.710 4.320 -0.000 0.000 0.250 59 K C -2.528 174.076 176.600 0.005 0.000 1.092 59 K CA -1.575 54.722 56.287 0.017 0.000 1.006 59 K CB 0.775 33.276 32.500 0.003 0.000 1.549 59 K HN 0.564 nan 8.250 nan 0.000 0.436 60 P HA -0.135 nan 4.420 nan 0.000 0.266 60 P C -0.858 176.438 177.300 -0.008 0.000 1.180 60 P CA 0.580 63.688 63.100 0.012 0.000 0.765 60 P CB 0.281 31.996 31.700 0.025 0.000 0.806 61 D N -0.173 120.216 120.400 -0.019 0.000 2.716 61 D HA -0.165 4.475 4.640 -0.000 0.000 0.239 61 D C -0.199 176.086 176.300 -0.026 0.000 1.125 61 D CA 1.149 55.137 54.000 -0.020 0.000 0.681 61 D CB -1.270 39.526 40.800 -0.007 0.000 1.070 61 D HN 0.322 nan 8.370 nan 0.000 0.432 62 M N -0.600 118.972 119.600 -0.048 0.000 2.732 62 M HA 0.337 4.817 4.480 -0.000 0.000 0.272 62 M C -1.652 174.594 176.300 -0.090 0.000 1.203 62 M CA -1.003 54.268 55.300 -0.048 0.000 0.841 62 M CB 1.797 34.377 32.600 -0.034 0.000 1.685 62 M HN 0.016 nan 8.290 nan 0.000 0.492 63 L N 2.453 123.631 121.223 -0.075 0.000 2.292 63 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 63 L C -0.978 175.827 176.870 -0.108 0.000 1.065 63 L CA 0.209 54.988 54.840 -0.102 0.000 0.806 63 L CB 0.615 42.637 42.059 -0.061 0.000 1.175 63 L HN 0.510 nan 8.230 nan 0.000 0.431 64 N N 4.386 122.976 118.700 -0.184 0.000 2.392 64 N HA 0.383 5.123 4.740 -0.000 0.000 0.283 64 N C -1.417 174.041 175.510 -0.086 0.000 1.003 64 N CA -0.445 52.515 53.050 -0.151 0.000 0.892 64 N CB 2.320 40.690 38.487 -0.196 0.000 1.193 64 N HN 0.347 nan 8.380 nan 0.000 0.487 65 V N 3.424 123.304 119.914 -0.057 0.000 2.357 65 V HA 0.171 4.291 4.120 -0.000 0.000 0.284 65 V C -0.024 176.052 176.094 -0.029 0.000 1.018 65 V CA -0.712 61.602 62.300 0.024 0.000 0.841 65 V CB 0.942 32.862 31.823 0.161 0.000 0.991 65 V HN 0.564 nan 8.190 nan 0.000 0.437 66 H N 5.698 124.818 119.070 0.083 0.000 2.846 66 H HA 0.354 4.910 4.556 -0.000 0.000 0.278 66 H C -0.274 175.077 175.328 0.040 0.000 1.117 66 H CA -0.201 55.878 56.048 0.051 0.000 1.406 66 H CB 1.145 30.911 29.762 0.007 0.000 1.445 66 H HN 0.468 nan 8.280 nan 0.000 0.469 67 L N 4.238 125.547 121.223 0.144 0.000 2.313 67 L HA 0.116 4.456 4.340 -0.000 0.000 0.282 67 L C 0.238 177.145 176.870 0.062 0.000 1.092 67 L CA -0.530 54.384 54.840 0.123 0.000 0.831 67 L CB 0.867 43.014 42.059 0.147 0.000 1.159 67 L HN 0.274 nan 8.230 nan 0.000 0.442 68 V N 5.700 125.620 119.914 0.010 0.000 2.257 68 V HA 0.237 4.357 4.120 -0.000 0.000 0.269 68 V C -1.922 174.085 176.094 -0.146 0.000 1.040 68 V CA -1.542 60.694 62.300 -0.107 0.000 0.813 68 V CB 0.830 32.552 31.823 -0.169 0.000 1.065 68 V HN 0.603 nan 8.190 nan 0.000 0.457 69 P HA 0.329 nan 4.420 nan 0.000 0.271 69 P C -0.812 175.935 177.300 -0.922 0.000 1.216 69 P CA 0.440 63.265 63.100 -0.458 0.000 0.771 69 P CB 0.919 32.500 31.700 -0.199 0.000 0.864 70 H N -1.152 117.278 119.070 -1.067 0.000 2.887 70 H HA 0.671 5.227 4.556 -0.000 0.000 0.290 70 H C -1.559 173.457 175.328 -0.520 0.000 1.429 70 H CA -0.805 54.597 56.048 -1.076 0.000 1.137 70 H CB 0.534 29.905 29.762 -0.651 0.000 1.824 70 H HN 0.186 nan 8.280 nan 0.000 0.520 71 T N 1.274 115.677 114.554 -0.252 0.000 3.186 71 T HA 0.127 4.477 4.350 -0.000 0.000 0.320 71 T C -1.460 173.203 174.700 -0.062 0.000 0.955 71 T CA -0.678 61.380 62.100 -0.069 0.000 1.030 71 T CB 0.190 69.101 68.868 0.072 0.000 1.013 71 T HN 0.764 nan 8.240 nan 0.000 0.454 72 H N 3.076 122.081 119.070 -0.108 0.000 3.160 72 H HA 0.307 4.863 4.556 -0.000 0.000 0.257 72 H C -0.696 174.272 175.328 -0.600 0.000 1.140 72 H CA -0.109 55.778 56.048 -0.268 0.000 1.492 72 H CB 0.099 29.689 29.762 -0.285 0.000 1.529 72 H HN 0.323 nan 8.280 nan 0.000 0.490 73 D N 5.248 125.115 120.400 -0.887 0.000 2.454 73 D HA 0.109 4.749 4.640 -0.000 0.000 0.225 73 D C -0.428 175.435 176.300 -0.729 0.000 1.081 73 D CA -0.453 52.816 54.000 -1.219 0.000 0.864 73 D CB 0.685 41.059 40.800 -0.709 0.000 1.040 73 D HN 0.546 nan 8.370 nan 0.000 0.517 74 D N 1.225 121.181 120.400 -0.739 0.000 2.371 74 D HA 0.018 4.658 4.640 -0.000 0.000 0.256 74 D C 0.416 176.852 176.300 0.228 0.000 1.193 74 D CA -0.083 53.806 54.000 -0.185 0.000 0.881 74 D CB 1.708 42.517 40.800 0.015 0.000 1.143 74 D HN 0.056 nan 8.370 nan 0.000 0.473 75 V N 2.976 123.036 119.914 0.243 0.000 2.054 75 V HA 0.291 4.411 4.120 -0.000 0.000 0.243 75 V C 0.973 177.266 176.094 0.332 0.000 1.480 75 V CA 0.280 62.715 62.300 0.224 0.000 1.440 75 V CB -0.739 31.035 31.823 -0.081 0.000 1.489 75 V HN 0.836 nan 8.190 nan 0.000 0.502 76 G N 2.700 111.857 108.800 0.596 0.000 2.895 76 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.686 76 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.686 76 G C -0.782 174.539 174.900 0.703 0.000 1.108 76 G CA 0.076 45.574 45.100 0.663 0.000 0.761 76 G HN 0.874 nan 8.290 nan 0.000 0.611 77 W N 1.674 123.278 121.300 0.507 0.000 5.307 77 W HA 0.208 4.868 4.660 -0.000 0.000 0.157 77 W C 0.947 177.639 176.519 0.288 0.000 3.263 77 W CA 0.830 58.397 57.345 0.370 0.000 1.792 77 W CB -0.691 29.008 29.460 0.399 0.000 1.117 77 W HN 0.587 nan 8.180 nan 0.000 1.023 78 L N 1.036 122.301 121.223 0.069 0.000 2.731 78 L HA 0.370 4.710 4.340 -0.000 0.000 0.240 78 L C 0.407 177.173 176.870 -0.173 0.000 1.120 78 L CA 0.475 55.146 54.840 -0.282 0.000 0.913 78 L CB 0.247 42.000 42.059 -0.509 0.000 1.213 78 L HN -0.272 nan 8.230 nan 0.000 0.515 79 K N -0.373 119.916 120.400 -0.184 0.000 2.439 79 K HA 0.461 4.781 4.320 -0.000 0.000 0.260 79 K C -0.366 176.151 176.600 -0.138 0.000 1.032 79 K CA -0.603 55.472 56.287 -0.352 0.000 0.882 79 K CB 2.148 34.140 32.500 -0.847 0.000 1.420 79 K HN -0.152 nan 8.250 nan 0.000 0.455 80 T N -2.559 111.974 114.554 -0.035 0.000 2.824 80 T HA 0.158 4.508 4.350 -0.000 0.000 0.277 80 T C 1.460 176.340 174.700 0.300 0.000 0.975 80 T CA -0.788 61.404 62.100 0.153 0.000 0.966 80 T CB 0.854 69.809 68.868 0.145 0.000 1.054 80 T HN 0.175 nan 8.240 nan 0.000 0.533 81 V N 1.062 121.191 119.914 0.358 0.000 2.332 81 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 81 V C 2.352 178.747 176.094 0.502 0.000 1.055 81 V CA 2.192 64.756 62.300 0.440 0.000 1.038 81 V CB -1.004 30.938 31.823 0.197 0.000 0.651 81 V HN 0.862 nan 8.190 nan 0.000 0.450 82 D N -0.571 120.052 120.400 0.372 0.000 2.183 82 D HA -0.124 4.516 4.640 -0.000 0.000 0.203 82 D C 2.372 178.965 176.300 0.488 0.000 0.969 82 D CA 0.866 55.139 54.000 0.454 0.000 0.842 82 D CB -0.157 40.838 40.800 0.326 0.000 0.957 82 D HN 0.522 nan 8.370 nan 0.000 0.484 83 Q N -1.000 118.983 119.800 0.304 0.000 2.172 83 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 83 Q C 1.408 177.514 176.000 0.176 0.000 0.964 83 Q CA 0.740 56.649 55.803 0.177 0.000 0.855 83 Q CB 0.015 28.796 28.738 0.071 0.000 0.918 83 Q HN 0.377 nan 8.270 nan 0.000 0.444 84 Y N -0.821 119.655 120.300 0.293 0.000 2.243 84 Y HA -0.148 4.402 4.550 -0.000 0.000 0.293 84 Y C 1.868 177.878 175.900 0.183 0.000 1.124 84 Y CA 0.501 58.719 58.100 0.197 0.000 1.159 84 Y CB -0.328 38.355 38.460 0.372 0.000 1.008 84 Y HN 0.111 nan 8.280 nan 0.000 0.527 85 F N -0.986 119.219 119.950 0.425 0.000 2.113 85 F HA -0.242 4.285 4.527 -0.000 0.000 0.297 85 F C 1.759 177.519 175.800 -0.067 0.000 1.103 85 F CA 1.652 59.762 58.000 0.184 0.000 1.248 85 F CB -0.694 38.439 39.000 0.221 0.000 0.999 85 F HN 0.004 nan 8.300 nan 0.000 0.475 86 Y N 0.219 120.614 120.300 0.158 0.000 2.420 86 Y HA 0.213 4.763 4.550 -0.000 0.000 0.292 86 Y C 1.757 177.607 175.900 -0.084 0.000 1.119 86 Y CA 0.734 58.814 58.100 -0.034 0.000 1.229 86 Y CB -0.348 38.183 38.460 0.118 0.000 1.026 86 Y HN 0.165 nan 8.280 nan 0.000 0.554 87 G N 1.171 110.066 108.800 0.157 0.000 2.325 87 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.248 87 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.248 87 G C -0.347 174.629 174.900 0.128 0.000 1.108 87 G CA -0.152 45.053 45.100 0.175 0.000 0.881 87 G HN 0.248 nan 8.290 nan 0.000 0.494 88 I N -0.418 120.187 120.570 0.059 0.000 2.488 88 I HA 0.470 4.640 4.170 -0.000 0.000 0.299 88 I C 0.943 177.020 176.117 -0.067 0.000 0.984 88 I CA -1.308 59.925 61.300 -0.111 0.000 1.250 88 I CB 0.811 38.669 38.000 -0.236 0.000 1.389 88 I HN 0.235 nan 8.210 nan 0.000 0.488 89 Y N 2.633 122.934 120.300 0.001 0.000 3.027 89 Y HA -0.242 4.308 4.550 -0.000 0.000 0.195 89 Y C 0.986 176.867 175.900 -0.033 0.000 1.381 89 Y CA 0.183 58.268 58.100 -0.024 0.000 1.015 89 Y CB -2.486 35.944 38.460 -0.050 0.000 1.329 89 Y HN 0.612 nan 8.280 nan 0.000 0.462 90 N N -0.026 118.733 118.700 0.098 0.000 2.609 90 N HA -0.137 4.603 4.740 -0.000 0.000 0.190 90 N C 1.563 177.106 175.510 0.055 0.000 1.157 90 N CA 0.286 53.375 53.050 0.063 0.000 0.918 90 N CB -0.023 38.497 38.487 0.054 0.000 0.978 90 N HN 0.473 nan 8.380 nan 0.000 0.448 91 N N 0.934 119.677 118.700 0.071 0.000 2.135 91 N HA -0.008 4.732 4.740 -0.000 0.000 0.186 91 N C 1.651 177.169 175.510 0.014 0.000 1.027 91 N CA 0.716 53.791 53.050 0.041 0.000 0.849 91 N CB 0.024 38.537 38.487 0.044 0.000 1.002 91 N HN 0.250 nan 8.380 nan 0.000 0.425 92 I N 0.308 120.880 120.570 0.002 0.000 2.099 92 I HA -0.204 3.966 4.170 -0.000 0.000 0.239 92 I C 0.994 177.092 176.117 -0.032 0.000 1.066 92 I CA 1.185 62.456 61.300 -0.048 0.000 1.324 92 I CB 0.007 37.952 38.000 -0.091 0.000 1.037 92 I HN 0.189 nan 8.210 nan 0.000 0.401 93 Q N 0.712 120.503 119.800 -0.015 0.000 2.281 93 Q HA 0.276 4.616 4.340 -0.000 0.000 0.263 93 Q C -2.671 173.344 176.000 0.024 0.000 0.989 93 Q CA -1.796 54.017 55.803 0.018 0.000 0.852 93 Q CB 2.628 31.389 28.738 0.038 0.000 1.337 93 Q HN -0.114 nan 8.270 nan 0.000 0.418 94 P HA 0.261 nan 4.420 nan 0.000 0.274 94 P C -1.393 175.943 177.300 0.060 0.000 1.291 94 P CA 0.245 63.380 63.100 0.060 0.000 0.815 94 P CB 0.518 32.261 31.700 0.071 0.000 0.897 95 A N 3.103 125.944 122.820 0.035 0.000 2.534 95 A HA 0.629 4.949 4.320 -0.000 0.000 0.300 95 A C -0.535 177.093 177.584 0.074 0.000 1.054 95 A CA -0.413 51.620 52.037 -0.005 0.000 0.858 95 A CB 0.881 19.588 19.000 -0.488 0.000 1.333 95 A HN 0.474 nan 8.150 nan 0.000 0.391 96 G N 1.203 110.100 108.800 0.161 0.000 2.824 96 G HA2 0.528 4.488 3.960 -0.000 0.000 0.288 96 G HA3 0.528 4.488 3.960 -0.000 0.000 0.288 96 G C 0.345 175.216 174.900 -0.047 0.000 1.554 96 G CA 0.174 45.338 45.100 0.107 0.000 1.107 96 G HN 1.136 nan 8.290 nan 0.000 0.566 97 V N 2.015 121.821 119.914 -0.180 0.000 2.688 97 V HA -0.279 3.841 4.120 -0.000 0.000 0.256 97 V C 2.864 178.654 176.094 -0.506 0.000 1.084 97 V CA 2.447 64.575 62.300 -0.287 0.000 1.103 97 V CB -0.621 30.953 31.823 -0.413 0.000 0.688 97 V HN 0.885 nan 8.190 nan 0.000 0.480 98 Q N -0.589 118.687 119.800 -0.873 0.000 2.224 98 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 98 Q C 1.993 177.709 176.000 -0.474 0.000 0.970 98 Q CA 1.865 57.157 55.803 -0.851 0.000 0.865 98 Q CB -0.488 27.568 28.738 -1.136 0.000 0.922 98 Q HN 0.614 nan 8.270 nan 0.000 0.445 99 Y N 0.976 121.165 120.300 -0.186 0.000 2.314 99 Y HA 0.085 4.635 4.550 -0.000 0.000 0.294 99 Y C 2.066 177.905 175.900 -0.102 0.000 1.119 99 Y CA 0.086 58.133 58.100 -0.090 0.000 1.179 99 Y CB -0.214 38.221 38.460 -0.042 0.000 1.025 99 Y HN 0.029 nan 8.280 nan 0.000 0.541 100 I N -0.407 120.176 120.570 0.021 0.000 2.226 100 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 100 I C 2.042 178.049 176.117 -0.183 0.000 1.100 100 I CA 1.475 62.773 61.300 -0.003 0.000 1.374 100 I CB -0.489 37.541 38.000 0.052 0.000 1.057 100 I HN 0.191 nan 8.210 nan 0.000 0.413 101 L N 0.084 121.057 121.223 -0.417 0.000 2.109 101 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 101 L C 2.185 178.719 176.870 -0.561 0.000 1.086 101 L CA 1.051 55.422 54.840 -0.781 0.000 0.760 101 L CB -0.568 40.493 42.059 -1.663 0.000 0.910 101 L HN 0.239 nan 8.230 nan 0.000 0.437 102 D N -0.342 119.910 120.400 -0.247 0.000 2.084 102 D HA -0.151 4.489 4.640 -0.000 0.000 0.194 102 D C 2.342 178.641 176.300 -0.001 0.000 0.990 102 D CA 1.543 55.563 54.000 0.034 0.000 0.826 102 D CB -0.146 40.743 40.800 0.148 0.000 0.971 102 D HN 0.144 nan 8.370 nan 0.000 0.453 103 S N 0.409 116.105 115.700 -0.007 0.000 2.359 103 S HA -0.147 4.323 4.470 -0.000 0.000 0.222 103 S C 2.431 177.015 174.600 -0.028 0.000 1.038 103 S CA 1.034 59.246 58.200 0.019 0.000 1.051 103 S CB -0.595 62.642 63.200 0.061 0.000 0.944 103 S HN 0.071 nan 8.310 nan 0.000 0.433 104 V N 1.824 121.650 119.914 -0.148 0.000 2.250 104 V HA -0.268 3.851 4.120 -0.000 0.000 0.253 104 V C 2.189 178.167 176.094 -0.193 0.000 1.065 104 V CA 1.988 64.105 62.300 -0.305 0.000 1.039 104 V CB -0.764 30.628 31.823 -0.717 0.000 0.647 104 V HN 0.322 nan 8.190 nan 0.000 0.446 105 I N -0.188 120.301 120.570 -0.135 0.000 2.127 105 I HA -0.238 3.932 4.170 -0.000 0.000 0.241 105 I C 2.647 178.752 176.117 -0.020 0.000 1.075 105 I CA 1.934 63.214 61.300 -0.034 0.000 1.334 105 I CB -0.730 37.318 38.000 0.080 0.000 1.040 105 I HN 0.195 nan 8.210 nan 0.000 0.405 106 S N -0.126 115.576 115.700 0.003 0.000 2.359 106 S HA -0.227 4.243 4.470 -0.000 0.000 0.222 106 S C 2.210 176.796 174.600 -0.023 0.000 1.038 106 S CA 1.913 60.118 58.200 0.009 0.000 1.051 106 S CB -0.464 62.754 63.200 0.031 0.000 0.944 106 S HN 0.443 nan 8.310 nan 0.000 0.433 107 S N 1.255 116.944 115.700 -0.019 0.000 2.420 107 S HA -0.028 4.442 4.470 -0.000 0.000 0.237 107 S C 1.684 176.134 174.600 -0.250 0.000 1.023 107 S CA 0.868 59.029 58.200 -0.066 0.000 0.991 107 S CB -0.366 62.906 63.200 0.120 0.000 0.792 107 S HN 0.348 nan 8.310 nan 0.000 0.488 108 L N 0.557 121.650 121.223 -0.217 0.000 2.179 108 L HA 0.054 4.394 4.340 -0.000 0.000 0.208 108 L C 1.840 178.632 176.870 -0.130 0.000 1.096 108 L CA 0.795 55.502 54.840 -0.222 0.000 0.779 108 L CB -0.319 41.649 42.059 -0.151 0.000 0.922 108 L HN 0.310 nan 8.230 nan 0.000 0.443 109 L N -0.744 120.434 121.223 -0.075 0.000 2.395 109 L HA -0.018 4.322 4.340 -0.000 0.000 0.218 109 L C 2.629 179.472 176.870 -0.045 0.000 1.130 109 L CA 0.485 55.300 54.840 -0.041 0.000 0.826 109 L CB -0.636 41.417 42.059 -0.009 0.000 0.941 109 L HN 0.185 nan 8.230 nan 0.000 0.451 110 A N -0.109 122.673 122.820 -0.063 0.000 2.014 110 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 110 A C 0.897 178.448 177.584 -0.056 0.000 1.163 110 A CA 0.983 52.991 52.037 -0.047 0.000 0.652 110 A CB -0.147 18.832 19.000 -0.035 0.000 0.808 110 A HN 0.437 nan 8.150 nan 0.000 0.449 111 N N -1.334 117.311 118.700 -0.092 0.000 2.655 111 N HA 0.179 4.919 4.740 -0.000 0.000 0.277 111 N C -2.755 172.698 175.510 -0.095 0.000 1.177 111 N CA -1.520 51.482 53.050 -0.080 0.000 0.882 111 N CB 1.603 40.043 38.487 -0.078 0.000 1.481 111 N HN -0.140 nan 8.380 nan 0.000 0.547 112 P HA -0.078 nan 4.420 nan 0.000 0.226 112 P C 0.774 178.042 177.300 -0.053 0.000 1.146 112 P CA 1.002 64.069 63.100 -0.055 0.000 0.773 112 P CB 0.377 32.057 31.700 -0.032 0.000 0.772 113 T N -0.570 113.954 114.554 -0.050 0.000 2.851 113 T HA -0.001 4.349 4.350 -0.000 0.000 0.262 113 T C 1.034 175.709 174.700 -0.042 0.000 1.043 113 T CA 0.287 62.368 62.100 -0.031 0.000 1.140 113 T CB -0.302 68.559 68.868 -0.011 0.000 0.872 113 T HN 0.227 nan 8.240 nan 0.000 0.446 114 R N 1.993 122.436 120.500 -0.096 0.000 2.638 114 R HA 0.167 4.507 4.340 -0.000 0.000 0.268 114 R C -0.024 176.215 176.300 -0.101 0.000 1.006 114 R CA 0.347 56.356 56.100 -0.151 0.000 1.088 114 R CB 0.283 30.273 30.300 -0.518 0.000 0.950 114 R HN 0.125 nan 8.270 nan 0.000 0.419 115 R N 2.018 122.520 120.500 0.003 0.000 2.807 115 R HA 0.499 4.838 4.340 -0.000 0.000 0.276 115 R C -1.095 175.274 176.300 0.115 0.000 0.979 115 R CA -0.962 55.140 56.100 0.003 0.000 0.928 115 R CB 1.484 31.763 30.300 -0.034 0.000 1.191 115 R HN 0.468 nan 8.270 nan 0.000 0.471 116 F N 1.636 121.498 119.950 -0.148 0.000 2.608 116 F HA 0.527 5.054 4.527 -0.000 0.000 0.309 116 F C -0.824 174.805 175.800 -0.284 0.000 1.103 116 F CA -1.083 56.813 58.000 -0.174 0.000 0.954 116 F CB 1.502 40.428 39.000 -0.123 0.000 1.267 116 F HN 0.458 nan 8.300 nan 0.000 0.444 117 I N 2.876 123.016 120.570 -0.717 0.000 2.436 117 I HA 0.554 4.724 4.170 -0.000 0.000 0.289 117 I C -2.084 173.742 176.117 -0.484 0.000 1.010 117 I CA -0.899 60.046 61.300 -0.590 0.000 1.098 117 I CB 1.934 39.487 38.000 -0.744 0.000 1.266 117 I HN 0.627 nan 8.210 nan 0.000 0.434 118 Y N 4.703 124.790 120.300 -0.356 0.000 2.429 118 Y HA 0.609 5.159 4.550 -0.000 0.000 0.342 118 Y C -0.102 175.784 175.900 -0.023 0.000 1.004 118 Y CA -0.315 57.722 58.100 -0.105 0.000 1.075 118 Y CB 2.166 40.680 38.460 0.090 0.000 1.214 118 Y HN 0.495 nan 8.280 nan 0.000 0.455 119 V N 2.082 121.705 119.914 -0.485 0.000 3.013 119 V HA 0.112 4.232 4.120 -0.000 0.000 0.238 119 V C -0.367 175.751 176.094 0.039 0.000 1.161 119 V CA 0.244 62.467 62.300 -0.129 0.000 1.170 119 V CB 0.106 31.867 31.823 -0.104 0.000 0.917 119 V HN 0.601 nan 8.190 nan 0.000 0.478 120 E N 1.542 121.712 120.200 -0.050 0.000 2.003 120 E HA 0.219 4.568 4.350 -0.000 0.000 0.279 120 E C 0.949 177.752 176.600 0.339 0.000 1.132 120 E CA -0.087 56.414 56.400 0.167 0.000 0.888 120 E CB 0.373 30.203 29.700 0.218 0.000 1.056 120 E HN 0.132 nan 8.360 nan 0.000 0.399 121 I N 1.962 122.611 120.570 0.132 0.000 2.361 121 I HA -0.243 3.927 4.170 -0.000 0.000 0.251 121 I C 1.935 177.789 176.117 -0.437 0.000 1.133 121 I CA 1.005 62.328 61.300 0.038 0.000 1.413 121 I CB -1.272 36.792 38.000 0.107 0.000 1.073 121 I HN 0.516 nan 8.210 nan 0.000 0.424 122 A N 0.528 122.758 122.820 -0.984 0.000 1.978 122 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 122 A C 2.106 179.244 177.584 -0.742 0.000 1.170 122 A CA 1.513 52.536 52.037 -1.690 0.000 0.636 122 A CB -0.745 17.203 19.000 -1.752 0.000 0.810 122 A HN 0.296 nan 8.150 nan 0.000 0.448 123 F N -2.110 117.750 119.950 -0.150 0.000 2.219 123 F HA 0.087 4.613 4.527 -0.000 0.000 0.294 123 F C 1.938 177.841 175.800 0.170 0.000 1.086 123 F CA 0.699 58.776 58.000 0.128 0.000 1.330 123 F CB -0.801 38.394 39.000 0.323 0.000 1.047 123 F HN 0.313 nan 8.300 nan 0.000 0.495 124 F N 0.282 120.363 119.950 0.218 0.000 2.102 124 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 124 F C 2.795 178.682 175.800 0.146 0.000 1.105 124 F CA 1.639 59.745 58.000 0.178 0.000 1.239 124 F CB -0.854 38.251 39.000 0.174 0.000 0.991 124 F HN -0.036 nan 8.300 nan 0.000 0.474 125 S N 0.067 115.748 115.700 -0.031 0.000 2.368 125 S HA -0.330 4.140 4.470 -0.000 0.000 0.226 125 S C 2.343 176.867 174.600 -0.127 0.000 1.044 125 S CA 1.888 59.808 58.200 -0.467 0.000 1.062 125 S CB -0.542 62.329 63.200 -0.549 0.000 0.931 125 S HN 0.525 nan 8.310 nan 0.000 0.440 126 R N -0.754 119.674 120.500 -0.119 0.000 2.088 126 R HA -0.157 4.183 4.340 -0.000 0.000 0.232 126 R C 2.155 178.453 176.300 -0.003 0.000 1.136 126 R CA 2.092 58.082 56.100 -0.183 0.000 0.926 126 R CB -1.018 28.909 30.300 -0.621 0.000 0.837 126 R HN 0.630 nan 8.270 nan 0.000 0.429 127 W N 0.940 122.274 121.300 0.056 0.000 2.290 127 W HA -0.318 4.342 4.660 -0.000 0.000 0.318 127 W C 2.003 178.519 176.519 -0.005 0.000 1.248 127 W CA 2.077 59.510 57.345 0.146 0.000 1.263 127 W CB -0.713 28.753 29.460 0.011 0.000 1.147 127 W HN 0.376 nan 8.180 nan 0.000 0.494 128 W N 1.357 122.530 121.300 -0.212 0.000 2.315 128 W HA -0.281 4.379 4.660 -0.000 0.000 0.323 128 W C 2.174 178.541 176.519 -0.254 0.000 1.233 128 W CA 2.406 59.568 57.345 -0.305 0.000 1.267 128 W CB -0.911 28.617 29.460 0.113 0.000 1.160 128 W HN -0.086 nan 8.180 nan 0.000 0.474 129 R N 0.088 120.597 120.500 0.015 0.000 2.249 129 R HA -0.206 4.134 4.340 -0.000 0.000 0.230 129 R C 2.286 178.463 176.300 -0.205 0.000 1.121 129 R CA 1.512 57.573 56.100 -0.065 0.000 0.997 129 R CB -0.459 29.863 30.300 0.037 0.000 0.867 129 R HN 0.380 nan 8.270 nan 0.000 0.465 130 Q N -0.144 119.496 119.800 -0.268 0.000 2.432 130 Q HA -0.038 4.302 4.340 -0.000 0.000 0.205 130 Q C -0.025 175.735 176.000 -0.400 0.000 0.945 130 Q CA 0.441 56.089 55.803 -0.259 0.000 0.924 130 Q CB 0.515 29.155 28.738 -0.165 0.000 1.016 130 Q HN 0.146 nan 8.270 nan 0.000 0.503 131 Q N 0.553 119.972 119.800 -0.635 0.000 2.249 131 Q HA 0.165 4.505 4.340 -0.000 0.000 0.226 131 Q C 0.093 175.810 176.000 -0.472 0.000 0.983 131 Q CA 0.056 55.460 55.803 -0.664 0.000 0.930 131 Q CB 1.003 29.130 28.738 -1.019 0.000 1.193 131 Q HN 0.198 nan 8.270 nan 0.000 0.508 132 T N -2.082 112.254 114.554 -0.362 0.000 2.874 132 T HA 0.243 4.593 4.350 -0.000 0.000 0.281 132 T C 1.082 175.629 174.700 -0.256 0.000 0.994 132 T CA -0.674 61.278 62.100 -0.246 0.000 1.015 132 T CB 0.682 69.454 68.868 -0.160 0.000 1.028 132 T HN 0.326 nan 8.240 nan 0.000 0.523 133 N N 0.646 119.243 118.700 -0.172 0.000 2.149 133 N HA -0.137 4.603 4.740 -0.000 0.000 0.188 133 N C 2.165 177.616 175.510 -0.098 0.000 1.019 133 N CA 1.403 54.374 53.050 -0.131 0.000 0.857 133 N CB -0.722 37.721 38.487 -0.072 0.000 0.997 133 N HN 0.823 nan 8.380 nan 0.000 0.426 134 A N 0.858 123.628 122.820 -0.084 0.000 1.841 134 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 134 A C 2.437 179.993 177.584 -0.046 0.000 1.199 134 A CA 2.337 54.346 52.037 -0.047 0.000 0.621 134 A CB -1.325 17.650 19.000 -0.042 0.000 0.835 134 A HN 0.296 nan 8.150 nan 0.000 0.445 135 T N 0.265 114.765 114.554 -0.091 0.000 2.665 135 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 135 T C 2.062 176.720 174.700 -0.071 0.000 1.035 135 T CA 1.949 64.001 62.100 -0.080 0.000 1.151 135 T CB -0.422 68.346 68.868 -0.167 0.000 0.862 135 T HN 0.622 nan 8.240 nan 0.000 0.438 136 Q N 0.490 120.147 119.800 -0.238 0.000 2.135 136 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 136 Q C 2.410 178.518 176.000 0.179 0.000 0.981 136 Q CA 1.338 57.006 55.803 -0.226 0.000 0.856 136 Q CB -0.209 28.223 28.738 -0.510 0.000 0.902 136 Q HN 0.481 nan 8.270 nan 0.000 0.425 137 K N 0.998 121.456 120.400 0.097 0.000 2.057 137 K HA -0.156 4.163 4.320 -0.000 0.000 0.207 137 K C 1.942 178.637 176.600 0.159 0.000 1.049 137 K CA 1.008 57.375 56.287 0.133 0.000 0.931 137 K CB -0.050 32.492 32.500 0.070 0.000 0.714 137 K HN 0.147 nan 8.250 nan 0.000 0.440 138 I N 0.769 121.418 120.570 0.132 0.000 2.090 138 I HA -0.292 3.878 4.170 -0.000 0.000 0.236 138 I C 2.287 178.523 176.117 0.199 0.000 1.064 138 I CA 1.112 62.491 61.300 0.133 0.000 1.324 138 I CB -0.314 37.747 38.000 0.102 0.000 1.044 138 I HN -0.026 nan 8.210 nan 0.000 0.399 139 V N 0.736 120.822 119.914 0.286 0.000 2.370 139 V HA -0.350 3.770 4.120 -0.000 0.000 0.252 139 V C 2.554 178.889 176.094 0.403 0.000 1.068 139 V CA 2.057 64.596 62.300 0.399 0.000 1.061 139 V CB -0.887 31.346 31.823 0.683 0.000 0.656 139 V HN 0.388 nan 8.190 nan 0.000 0.455 140 R N -0.285 120.508 120.500 0.489 0.000 2.152 140 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 140 R C 2.274 178.720 176.300 0.243 0.000 1.117 140 R CA 1.576 57.957 56.100 0.469 0.000 0.981 140 R CB -0.108 30.469 30.300 0.462 0.000 0.870 140 R HN 0.602 nan 8.270 nan 0.000 0.451 141 E N 0.108 120.418 120.200 0.183 0.000 2.158 141 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 141 E C 1.650 178.288 176.600 0.064 0.000 0.982 141 E CA 0.808 57.272 56.400 0.107 0.000 0.823 141 E CB -0.030 29.724 29.700 0.089 0.000 0.766 141 E HN 0.319 nan 8.360 nan 0.000 0.468 142 L N -0.425 120.839 121.223 0.067 0.000 2.093 142 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 142 L C 2.208 179.052 176.870 -0.043 0.000 1.085 142 L CA 0.687 55.535 54.840 0.013 0.000 0.755 142 L CB -0.210 41.863 42.059 0.024 0.000 0.904 142 L HN 0.124 nan 8.230 nan 0.000 0.435 143 V N -0.431 119.449 119.914 -0.056 0.000 2.379 143 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 143 V C 2.598 178.654 176.094 -0.064 0.000 1.044 143 V CA 1.533 63.746 62.300 -0.145 0.000 1.036 143 V CB -0.612 31.033 31.823 -0.297 0.000 0.664 143 V HN 0.441 nan 8.190 nan 0.000 0.453 144 R N 1.052 121.555 120.500 0.005 0.000 2.096 144 R HA -0.249 4.090 4.340 -0.000 0.000 0.240 144 R C 2.112 178.408 176.300 -0.007 0.000 1.139 144 R CA 2.253 58.364 56.100 0.018 0.000 0.952 144 R CB -0.190 30.138 30.300 0.047 0.000 0.854 144 R HN 0.777 nan 8.270 nan 0.000 0.436 145 Q N -1.051 118.741 119.800 -0.013 0.000 2.280 145 Q HA 0.184 4.524 4.340 -0.000 0.000 0.202 145 Q C 0.587 176.561 176.000 -0.044 0.000 0.903 145 Q CA 0.395 56.186 55.803 -0.021 0.000 0.948 145 Q CB 0.708 29.439 28.738 -0.011 0.000 1.058 145 Q HN 0.464 nan 8.270 nan 0.000 0.493 146 G N 1.845 110.603 108.800 -0.069 0.000 2.198 146 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.260 146 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.260 146 G C 0.774 175.606 174.900 -0.112 0.000 1.025 146 G CA 0.491 45.528 45.100 -0.104 0.000 0.769 146 G HN 0.439 nan 8.290 nan 0.000 0.507 147 R N -1.196 119.245 120.500 -0.099 0.000 2.240 147 R HA 0.284 4.623 4.340 -0.000 0.000 0.203 147 R C 0.966 177.196 176.300 -0.118 0.000 1.011 147 R CA 0.402 56.447 56.100 -0.092 0.000 1.007 147 R CB 0.322 30.580 30.300 -0.070 0.000 0.911 147 R HN 0.436 nan 8.270 nan 0.000 0.468 148 L N 1.432 122.548 121.223 -0.178 0.000 2.376 148 L HA 0.361 4.701 4.340 -0.000 0.000 0.275 148 L C -1.145 175.445 176.870 -0.468 0.000 0.987 148 L CA -0.383 54.286 54.840 -0.285 0.000 0.828 148 L CB 2.001 43.892 42.059 -0.279 0.000 1.249 148 L HN 0.010 nan 8.230 nan 0.000 0.409 149 E N 3.475 123.353 120.200 -0.538 0.000 2.288 149 E HA 0.473 4.823 4.350 -0.000 0.000 0.268 149 E C -1.774 174.389 176.600 -0.728 0.000 0.885 149 E CA -0.675 55.397 56.400 -0.547 0.000 0.767 149 E CB 2.097 31.586 29.700 -0.351 0.000 1.220 149 E HN 0.370 nan 8.360 nan 0.000 0.427 150 F N 1.845 121.667 119.950 -0.213 0.000 2.436 150 F HA 0.440 4.967 4.527 -0.000 0.000 0.340 150 F C 0.877 176.573 175.800 -0.173 0.000 1.113 150 F CA -0.340 57.556 58.000 -0.175 0.000 1.022 150 F CB 1.826 40.740 39.000 -0.143 0.000 1.128 150 F HN 0.661 nan 8.300 nan 0.000 0.466 151 A N 2.626 125.395 122.820 -0.085 0.000 1.864 151 A HA -0.019 4.301 4.320 -0.000 0.000 0.213 151 A C 1.819 179.399 177.584 -0.008 0.000 1.266 151 A CA 1.289 53.215 52.037 -0.185 0.000 0.612 151 A CB -0.509 18.137 19.000 -0.589 0.000 0.940 151 A HN 0.702 nan 8.150 nan 0.000 0.463 152 N N -2.042 116.696 118.700 0.063 0.000 2.278 152 N HA 0.194 4.934 4.740 -0.000 0.000 0.181 152 N C 1.191 176.833 175.510 0.219 0.000 1.023 152 N CA 2.017 55.118 53.050 0.085 0.000 0.862 152 N CB 0.252 38.858 38.487 0.199 0.000 1.003 152 N HN 0.718 nan 8.380 nan 0.000 0.431 153 G N -1.475 107.466 108.800 0.234 0.000 2.199 153 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.254 153 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.254 153 G C 0.441 175.503 174.900 0.270 0.000 0.982 153 G CA 0.406 45.653 45.100 0.244 0.000 0.632 153 G HN 0.696 nan 8.290 nan 0.000 0.529 154 G N -1.340 107.640 108.800 0.301 0.000 2.599 154 G HA2 0.350 4.310 3.960 -0.000 0.000 0.264 154 G HA3 0.350 4.310 3.960 -0.000 0.000 0.264 154 G C 0.904 175.992 174.900 0.314 0.000 1.200 154 G CA 0.334 45.628 45.100 0.323 0.000 0.896 154 G HN 0.431 nan 8.290 nan 0.000 0.536 155 W N 0.501 121.876 121.300 0.126 0.000 2.374 155 W HA 0.054 4.714 4.660 -0.000 0.000 0.288 155 W C 0.389 176.954 176.519 0.077 0.000 1.218 155 W CA 1.827 59.224 57.345 0.085 0.000 1.245 155 W CB 0.205 29.695 29.460 0.050 0.000 1.126 155 W HN 0.419 nan 8.180 nan 0.000 0.545 156 V N -2.492 117.542 119.914 0.201 0.000 3.181 156 V HA 0.458 4.578 4.120 -0.000 0.000 0.307 156 V C -0.566 175.603 176.094 0.125 0.000 1.310 156 V CA -1.254 61.098 62.300 0.086 0.000 1.067 156 V CB 1.732 33.610 31.823 0.092 0.000 1.081 156 V HN -0.072 nan 8.190 nan 0.000 0.453 157 M N 4.533 124.168 119.600 0.058 0.000 2.365 157 M HA 0.362 4.842 4.480 -0.000 0.000 0.350 157 M C 0.248 176.502 176.300 -0.078 0.000 1.274 157 M CA -0.401 54.910 55.300 0.020 0.000 1.252 157 M CB -0.202 32.390 32.600 -0.013 0.000 1.297 157 M HN 1.011 nan 8.290 nan 0.000 0.438 158 N N 2.273 120.964 118.700 -0.015 0.000 2.415 158 N HA 0.004 4.744 4.740 -0.000 0.000 0.248 158 N C -0.811 174.606 175.510 -0.155 0.000 1.271 158 N CA -0.187 52.843 53.050 -0.033 0.000 0.913 158 N CB 0.797 39.317 38.487 0.055 0.000 1.129 158 N HN 0.564 nan 8.380 nan 0.000 0.444 159 D N -0.989 119.336 120.400 -0.125 0.000 2.354 159 D HA 0.078 4.718 4.640 -0.000 0.000 0.247 159 D C 0.140 176.384 176.300 -0.093 0.000 1.138 159 D CA -0.190 53.695 54.000 -0.191 0.000 0.958 159 D CB 0.825 41.520 40.800 -0.176 0.000 1.144 159 D HN 0.575 nan 8.370 nan 0.000 0.458 160 E N 0.706 120.845 120.200 -0.102 0.000 2.526 160 E HA 0.203 4.553 4.350 -0.000 0.000 0.208 160 E C 0.739 177.326 176.600 -0.022 0.000 0.997 160 E CA -0.040 56.348 56.400 -0.020 0.000 0.961 160 E CB 0.789 30.517 29.700 0.047 0.000 1.030 160 E HN 0.449 nan 8.360 nan 0.000 0.483 161 A N 0.994 123.792 122.820 -0.037 0.000 1.973 161 A HA -0.025 4.295 4.320 -0.000 0.000 0.210 161 A C 2.199 179.796 177.584 0.021 0.000 1.200 161 A CA 1.116 53.154 52.037 0.001 0.000 0.707 161 A CB -0.142 18.866 19.000 0.013 0.000 0.862 161 A HN 0.215 nan 8.150 nan 0.000 0.461 162 T N -1.981 112.584 114.554 0.018 0.000 3.054 162 T HA 0.167 4.517 4.350 -0.000 0.000 0.255 162 T C 0.750 175.475 174.700 0.042 0.000 1.035 162 T CA 0.603 62.724 62.100 0.036 0.000 0.941 162 T CB -0.735 68.158 68.868 0.042 0.000 1.026 162 T HN 0.423 nan 8.240 nan 0.000 0.533 163 T N 0.694 115.267 114.554 0.032 0.000 2.910 163 T HA 0.391 4.741 4.350 -0.000 0.000 0.293 163 T C -0.409 174.335 174.700 0.072 0.000 1.015 163 T CA -0.655 61.471 62.100 0.044 0.000 1.094 163 T CB 0.923 69.803 68.868 0.020 0.000 0.968 163 T HN 0.406 nan 8.240 nan 0.000 0.521 164 H N 1.693 120.741 119.070 -0.037 0.000 2.527 164 H HA 0.269 4.825 4.556 -0.000 0.000 0.321 164 H C 0.990 176.253 175.328 -0.109 0.000 1.087 164 H CA -1.153 54.852 56.048 -0.072 0.000 1.337 164 H CB 0.483 30.165 29.762 -0.134 0.000 1.440 164 H HN 0.774 nan 8.280 nan 0.000 0.490 165 Y N 2.768 122.760 120.300 -0.513 0.000 2.193 165 Y HA -0.136 4.414 4.550 -0.000 0.000 0.285 165 Y C 2.011 177.699 175.900 -0.353 0.000 1.166 165 Y CA 1.512 59.378 58.100 -0.391 0.000 1.181 165 Y CB -0.906 37.345 38.460 -0.349 0.000 0.976 165 Y HN 0.599 nan 8.280 nan 0.000 0.520 166 G N 0.278 108.177 108.800 -1.501 0.000 2.408 166 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.217 166 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.217 166 G C 1.791 176.558 174.900 -0.223 0.000 1.150 166 G CA 0.967 45.624 45.100 -0.739 0.000 0.776 166 G HN 0.702 nan 8.290 nan 0.000 0.542 167 A N 0.620 123.378 122.820 -0.103 0.000 1.968 167 A HA 0.177 4.497 4.320 -0.000 0.000 0.217 167 A C 2.331 179.903 177.584 -0.020 0.000 1.169 167 A CA 0.842 52.871 52.037 -0.014 0.000 0.638 167 A CB -0.264 18.762 19.000 0.043 0.000 0.812 167 A HN 0.356 nan 8.150 nan 0.000 0.446 168 I N -0.145 120.400 120.570 -0.042 0.000 2.286 168 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 168 I C 2.174 178.298 176.117 0.011 0.000 1.115 168 I CA 1.160 62.454 61.300 -0.010 0.000 1.392 168 I CB -0.270 37.700 38.000 -0.050 0.000 1.065 168 I HN 0.324 nan 8.210 nan 0.000 0.418 169 I N 0.307 120.870 120.570 -0.012 0.000 2.233 169 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 169 I C 2.104 178.237 176.117 0.027 0.000 1.093 169 I CA 1.224 62.535 61.300 0.018 0.000 1.380 169 I CB -0.576 37.431 38.000 0.012 0.000 1.067 169 I HN 0.211 nan 8.210 nan 0.000 0.413 170 D N 0.705 121.105 120.400 -0.001 0.000 2.133 170 D HA -0.242 4.398 4.640 -0.000 0.000 0.195 170 D C 2.082 178.385 176.300 0.006 0.000 0.997 170 D CA 1.246 55.240 54.000 -0.010 0.000 0.840 170 D CB -0.377 40.403 40.800 -0.033 0.000 0.947 170 D HN 0.369 nan 8.370 nan 0.000 0.452 171 Q N 0.233 120.054 119.800 0.035 0.000 2.061 171 Q HA -0.169 4.171 4.340 -0.000 0.000 0.204 171 Q C 2.158 178.259 176.000 0.168 0.000 0.984 171 Q CA 1.161 57.019 55.803 0.092 0.000 0.846 171 Q CB -0.243 28.568 28.738 0.120 0.000 0.902 171 Q HN 0.181 nan 8.270 nan 0.000 0.421 172 M N 0.057 119.760 119.600 0.171 0.000 2.067 172 M HA -0.112 4.368 4.480 -0.000 0.000 0.260 172 M C 2.153 178.564 176.300 0.185 0.000 1.069 172 M CA 1.966 57.405 55.300 0.231 0.000 1.117 172 M CB -0.730 32.028 32.600 0.262 0.000 1.334 172 M HN 0.134 nan 8.290 nan 0.000 0.407 173 T N 0.755 115.380 114.554 0.117 0.000 2.721 173 T HA -0.184 4.166 4.350 -0.000 0.000 0.268 173 T C 1.610 176.359 174.700 0.081 0.000 1.038 173 T CA 1.629 63.775 62.100 0.076 0.000 1.145 173 T CB -0.491 68.397 68.868 0.035 0.000 0.858 173 T HN 0.305 nan 8.240 nan 0.000 0.459 174 L N 1.104 122.373 121.223 0.077 0.000 2.056 174 L HA 0.132 4.472 4.340 -0.000 0.000 0.207 174 L C 2.477 179.490 176.870 0.239 0.000 1.078 174 L CA 2.009 56.883 54.840 0.056 0.000 0.749 174 L CB -1.208 40.782 42.059 -0.115 0.000 0.901 174 L HN 0.267 nan 8.230 nan 0.000 0.433 175 G N -0.638 108.364 108.800 0.336 0.000 2.404 175 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 175 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 175 G C 1.563 176.622 174.900 0.265 0.000 1.189 175 G CA 0.751 46.093 45.100 0.404 0.000 0.789 175 G HN 0.405 nan 8.290 nan 0.000 0.533 176 L N 0.049 121.382 121.223 0.184 0.000 2.187 176 L HA -0.058 4.282 4.340 -0.000 0.000 0.213 176 L C 2.972 179.866 176.870 0.040 0.000 1.100 176 L CA 0.713 55.606 54.840 0.089 0.000 0.765 176 L CB -0.387 41.718 42.059 0.077 0.000 0.904 176 L HN 0.144 nan 8.230 nan 0.000 0.437 177 R N 0.222 120.770 120.500 0.079 0.000 2.066 177 R HA -0.196 4.144 4.340 -0.000 0.000 0.232 177 R C 2.382 178.700 176.300 0.029 0.000 1.131 177 R CA 1.736 57.861 56.100 0.041 0.000 0.955 177 R CB -0.511 29.821 30.300 0.054 0.000 0.851 177 R HN 0.254 nan 8.270 nan 0.000 0.432 178 F N 1.686 121.634 119.950 -0.002 0.000 2.069 178 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 178 F C 2.054 177.747 175.800 -0.178 0.000 1.113 178 F CA 1.520 59.492 58.000 -0.046 0.000 1.214 178 F CB -0.621 38.416 39.000 0.060 0.000 0.978 178 F HN -0.041 nan 8.300 nan 0.000 0.474 179 L N 0.060 121.017 121.223 -0.445 0.000 2.012 179 L HA -0.222 4.117 4.340 -0.000 0.000 0.210 179 L C 2.669 179.281 176.870 -0.430 0.000 1.073 179 L CA 1.751 56.247 54.840 -0.573 0.000 0.748 179 L CB -1.002 40.842 42.059 -0.358 0.000 0.891 179 L HN 0.202 nan 8.230 nan 0.000 0.431 180 E N 1.266 121.313 120.200 -0.256 0.000 2.035 180 E HA -0.274 4.076 4.350 -0.000 0.000 0.204 180 E C 1.752 178.213 176.600 -0.231 0.000 1.025 180 E CA 2.222 58.513 56.400 -0.182 0.000 0.835 180 E CB -0.124 29.508 29.700 -0.113 0.000 0.764 180 E HN 0.719 nan 8.360 nan 0.000 0.457 181 E N -1.167 118.872 120.200 -0.269 0.000 2.494 181 E HA 0.014 4.364 4.350 -0.000 0.000 0.193 181 E C 1.173 177.531 176.600 -0.403 0.000 1.074 181 E CA 0.757 57.003 56.400 -0.256 0.000 0.867 181 E CB 0.149 29.752 29.700 -0.162 0.000 0.924 181 E HN 0.055 nan 8.360 nan 0.000 0.502 182 T N -0.532 113.595 114.554 -0.712 0.000 2.999 182 T HA 0.150 4.500 4.350 -0.000 0.000 0.247 182 T C 0.508 174.554 174.700 -1.089 0.000 1.012 182 T CA 0.093 61.534 62.100 -1.098 0.000 1.048 182 T CB 0.079 67.729 68.868 -2.030 0.000 1.020 182 T HN 0.171 nan 8.240 nan 0.000 0.478 183 F N 0.872 120.603 119.950 -0.364 0.000 2.817 183 F HA 0.523 5.050 4.527 -0.000 0.000 0.333 183 F C 1.602 177.322 175.800 -0.133 0.000 1.085 183 F CA -0.333 57.547 58.000 -0.200 0.000 1.170 183 F CB 0.024 38.915 39.000 -0.182 0.000 1.066 183 F HN 0.305 nan 8.300 nan 0.000 0.564 184 G N 0.756 109.535 108.800 -0.036 0.000 2.601 184 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.252 184 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.252 184 G C 1.088 175.982 174.900 -0.010 0.000 1.294 184 G CA 0.220 45.303 45.100 -0.029 0.000 0.912 184 G HN 0.222 nan 8.290 nan 0.000 0.574 185 S N -0.597 115.096 115.700 -0.012 0.000 2.387 185 S HA -0.162 4.308 4.470 -0.000 0.000 0.230 185 S C 1.871 176.465 174.600 -0.009 0.000 1.035 185 S CA 2.239 60.429 58.200 -0.018 0.000 1.014 185 S CB -0.492 62.698 63.200 -0.016 0.000 0.836 185 S HN 0.575 nan 8.310 nan 0.000 0.466 186 D N 0.249 120.657 120.400 0.014 0.000 2.311 186 D HA -0.033 4.607 4.640 -0.000 0.000 0.212 186 D C 1.467 177.782 176.300 0.024 0.000 0.972 186 D CA 1.116 55.124 54.000 0.014 0.000 0.887 186 D CB -0.445 40.376 40.800 0.035 0.000 0.915 186 D HN 0.530 nan 8.370 nan 0.000 0.497 187 G N -0.127 108.712 108.800 0.066 0.000 3.690 187 G HA2 0.043 4.003 3.960 -0.000 0.000 0.283 187 G HA3 0.043 4.003 3.960 -0.000 0.000 0.283 187 G C 0.426 175.361 174.900 0.058 0.000 1.057 187 G CA -0.496 44.669 45.100 0.109 0.000 0.821 187 G HN -0.001 nan 8.290 nan 0.000 0.526 188 R N 1.178 121.686 120.500 0.013 0.000 2.265 188 R HA 0.368 4.707 4.340 -0.000 0.000 0.314 188 R C -2.460 173.852 176.300 0.020 0.000 1.053 188 R CA -1.436 54.656 56.100 -0.013 0.000 0.931 188 R CB 0.829 31.095 30.300 -0.057 0.000 1.024 188 R HN -0.023 nan 8.270 nan 0.000 0.457 189 P HA 0.050 nan 4.420 nan 0.000 0.268 189 P C -0.110 177.292 177.300 0.169 0.000 1.208 189 P CA -0.172 63.042 63.100 0.189 0.000 0.777 189 P CB 0.739 32.683 31.700 0.406 0.000 0.875 190 R N 0.628 121.223 120.500 0.158 0.000 2.287 190 R HA 0.184 4.524 4.340 -0.000 0.000 0.197 190 R C 0.360 176.888 176.300 0.379 0.000 0.900 190 R CA 0.555 56.746 56.100 0.152 0.000 1.052 190 R CB -0.138 30.090 30.300 -0.120 0.000 1.117 190 R HN 0.424 nan 8.270 nan 0.000 0.568 191 V N -1.856 118.236 119.914 0.297 0.000 2.960 191 V HA 0.892 5.012 4.120 -0.000 0.000 0.315 191 V C -0.320 175.665 176.094 -0.181 0.000 1.087 191 V CA -1.586 60.842 62.300 0.214 0.000 0.982 191 V CB 1.889 33.952 31.823 0.400 0.000 1.039 191 V HN 0.064 nan 8.190 nan 0.000 0.437 192 A N 2.300 124.877 122.820 -0.406 0.000 2.312 192 A HA 0.659 4.979 4.320 -0.000 0.000 0.326 192 A C -0.583 177.013 177.584 0.021 0.000 1.172 192 A CA -0.606 50.978 52.037 -0.755 0.000 0.821 192 A CB 1.063 19.088 19.000 -1.625 0.000 1.166 192 A HN 1.255 nan 8.150 nan 0.000 0.493 193 W N 4.643 125.844 121.300 -0.165 0.000 1.986 193 W HA 0.257 4.917 4.660 -0.000 0.000 0.287 193 W C -1.074 175.519 176.519 0.122 0.000 0.866 193 W CA -0.227 57.086 57.345 -0.052 0.000 2.056 193 W CB 0.108 29.481 29.460 -0.145 0.000 2.290 193 W HN 0.803 nan 8.180 nan 0.000 0.396 194 H N 4.529 123.526 119.070 -0.121 0.000 2.872 194 H HA 0.077 4.633 4.556 -0.000 0.000 0.273 194 H C 1.467 176.600 175.328 -0.325 0.000 1.205 194 H CA 0.050 56.054 56.048 -0.074 0.000 1.342 194 H CB 0.812 30.754 29.762 0.300 0.000 1.469 194 H HN 0.441 nan 8.280 nan 0.000 0.487 195 I N -1.119 119.166 120.570 -0.476 0.000 3.462 195 I HA 0.075 4.245 4.170 -0.000 0.000 0.290 195 I C 0.988 176.911 176.117 -0.323 0.000 1.236 195 I CA 0.542 61.496 61.300 -0.576 0.000 1.418 195 I CB 0.403 37.765 38.000 -1.063 0.000 1.102 195 I HN 0.341 nan 8.210 nan 0.000 0.441 196 D N 0.938 121.144 120.400 -0.323 0.000 2.454 196 D HA 0.244 4.884 4.640 -0.000 0.000 0.219 196 D C -1.857 174.415 176.300 -0.046 0.000 1.081 196 D CA -0.695 53.220 54.000 -0.142 0.000 0.867 196 D CB -0.200 40.446 40.800 -0.257 0.000 1.054 196 D HN 0.179 nan 8.370 nan 0.000 0.500 197 P HA -0.055 nan 4.420 nan 0.000 0.266 197 P C -0.304 176.809 177.300 -0.312 0.000 1.186 197 P CA 0.466 63.276 63.100 -0.483 0.000 0.767 197 P CB 0.025 31.528 31.700 -0.327 0.000 0.820 198 F N 1.894 121.740 119.950 -0.173 0.000 2.626 198 F HA 0.501 5.028 4.527 -0.000 0.000 0.353 198 F C 1.467 177.116 175.800 -0.252 0.000 1.230 198 F CA -0.295 57.604 58.000 -0.168 0.000 1.298 198 F CB -0.688 38.264 39.000 -0.081 0.000 1.670 198 F HN 0.457 nan 8.300 nan 0.000 0.633 199 G N 1.184 109.752 108.800 -0.387 0.000 2.570 199 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.686 199 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.686 199 G C -1.632 172.779 174.900 -0.815 0.000 1.257 199 G CA -1.200 43.631 45.100 -0.448 0.000 0.846 199 G HN 0.549 nan 8.290 nan 0.000 0.627 200 H N -0.311 118.728 119.070 -0.053 0.000 2.771 200 H HA 0.684 5.240 4.556 -0.000 0.000 0.361 200 H C 0.316 175.765 175.328 0.202 0.000 1.108 200 H CA -0.030 56.065 56.048 0.079 0.000 1.201 200 H CB 1.897 31.699 29.762 0.066 0.000 1.681 200 H HN 0.938 nan 8.280 nan 0.000 0.534 201 S N 1.500 117.352 115.700 0.254 0.000 2.554 201 S HA 0.235 4.705 4.470 -0.000 0.000 0.278 201 S C 1.237 175.909 174.600 0.121 0.000 1.242 201 S CA -0.915 57.387 58.200 0.169 0.000 1.051 201 S CB 2.487 65.713 63.200 0.043 0.000 0.986 201 S HN 0.736 nan 8.310 nan 0.000 0.502 202 R N 0.520 121.096 120.500 0.126 0.000 2.120 202 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 202 R C 1.818 177.888 176.300 -0.384 0.000 1.123 202 R CA 1.504 57.517 56.100 -0.145 0.000 0.975 202 R CB -0.273 30.067 30.300 0.068 0.000 0.866 202 R HN 0.840 nan 8.270 nan 0.000 0.446 203 E N 0.448 120.512 120.200 -0.226 0.000 2.077 203 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 203 E C 1.799 178.190 176.600 -0.348 0.000 0.989 203 E CA 1.449 57.697 56.400 -0.254 0.000 0.800 203 E CB -0.093 29.508 29.700 -0.166 0.000 0.746 203 E HN 0.194 nan 8.360 nan 0.000 0.452 204 Q N 0.249 119.835 119.800 -0.356 0.000 2.077 204 Q HA -0.178 4.162 4.340 -0.000 0.000 0.206 204 Q C 1.996 177.575 176.000 -0.703 0.000 0.989 204 Q CA 2.492 57.981 55.803 -0.524 0.000 0.853 204 Q CB -0.836 27.675 28.738 -0.378 0.000 0.907 204 Q HN 0.313 nan 8.270 nan 0.000 0.418 205 A N -0.566 121.797 122.820 -0.760 0.000 1.908 205 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 205 A C 2.308 179.589 177.584 -0.505 0.000 1.181 205 A CA 2.089 53.648 52.037 -0.797 0.000 0.627 205 A CB -1.237 16.915 19.000 -1.413 0.000 0.818 205 A HN 0.499 nan 8.150 nan 0.000 0.445 206 S N -0.862 114.550 115.700 -0.481 0.000 2.359 206 S HA -0.141 4.329 4.470 -0.000 0.000 0.224 206 S C 1.890 176.359 174.600 -0.218 0.000 1.035 206 S CA 1.641 59.657 58.200 -0.306 0.000 1.018 206 S CB -0.414 62.617 63.200 -0.282 0.000 0.876 206 S HN 0.286 nan 8.310 nan 0.000 0.448 207 L N 0.689 121.749 121.223 -0.272 0.000 2.017 207 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 207 L C 2.220 179.055 176.870 -0.058 0.000 1.073 207 L CA 1.705 56.420 54.840 -0.207 0.000 0.745 207 L CB -1.398 40.471 42.059 -0.317 0.000 0.894 207 L HN 0.326 nan 8.230 nan 0.000 0.432 208 F N -0.328 119.571 119.950 -0.085 0.000 2.134 208 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 208 F C 2.491 178.365 175.800 0.123 0.000 1.097 208 F CA 0.856 58.915 58.000 0.098 0.000 1.264 208 F CB -1.463 37.460 39.000 -0.129 0.000 1.001 208 F HN 0.084 nan 8.300 nan 0.000 0.479 209 A N -0.252 122.668 122.820 0.166 0.000 1.917 209 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 209 A C 2.097 179.719 177.584 0.063 0.000 1.182 209 A CA 1.872 53.964 52.037 0.092 0.000 0.633 209 A CB -0.948 18.047 19.000 -0.008 0.000 0.819 209 A HN 0.503 nan 8.150 nan 0.000 0.448 210 Q N -1.251 118.565 119.800 0.027 0.000 2.436 210 Q HA 0.087 4.427 4.340 -0.000 0.000 0.209 210 Q C 1.656 177.662 176.000 0.010 0.000 0.965 210 Q CA 0.888 56.692 55.803 0.001 0.000 0.910 210 Q CB -0.137 28.585 28.738 -0.028 0.000 0.980 210 Q HN 0.719 nan 8.270 nan 0.000 0.491 211 M N -1.271 118.360 119.600 0.051 0.000 2.495 211 M HA 0.137 4.616 4.480 -0.000 0.000 0.237 211 M C 0.680 176.882 176.300 -0.165 0.000 1.131 211 M CA 0.513 55.797 55.300 -0.026 0.000 1.032 211 M CB 0.840 33.477 32.600 0.061 0.000 1.513 211 M HN 0.349 nan 8.290 nan 0.000 0.488 212 G N 0.812 109.565 108.800 -0.078 0.000 2.130 212 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.216 212 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.216 212 G C -0.266 174.581 174.900 -0.089 0.000 0.999 212 G CA -0.601 44.444 45.100 -0.092 0.000 0.686 212 G HN 0.303 nan 8.290 nan 0.000 0.515 213 F N 1.175 121.156 119.950 0.052 0.000 2.399 213 F HA 0.424 4.951 4.527 -0.000 0.000 0.342 213 F C 1.445 177.286 175.800 0.067 0.000 1.106 213 F CA -0.451 57.574 58.000 0.041 0.000 1.196 213 F CB 0.929 39.918 39.000 -0.018 0.000 1.163 213 F HN -0.005 nan 8.300 nan 0.000 0.547 214 D N 1.276 121.863 120.400 0.312 0.000 2.201 214 D HA 0.116 4.756 4.640 -0.000 0.000 0.209 214 D C 1.008 177.443 176.300 0.224 0.000 0.961 214 D CA 0.778 54.915 54.000 0.227 0.000 0.861 214 D CB 0.124 41.067 40.800 0.237 0.000 0.997 214 D HN 0.592 nan 8.370 nan 0.000 0.486 215 G N -0.560 108.382 108.800 0.237 0.000 2.658 215 G HA2 0.505 4.465 3.960 -0.000 0.000 0.292 215 G HA3 0.505 4.465 3.960 -0.000 0.000 0.292 215 G C -1.915 173.044 174.900 0.098 0.000 1.320 215 G CA -0.587 44.604 45.100 0.152 0.000 0.933 215 G HN 0.022 nan 8.290 nan 0.000 0.476 216 F N 0.428 120.189 119.950 -0.315 0.000 2.607 216 F HA 0.729 5.256 4.527 -0.000 0.000 0.322 216 F C -2.041 173.497 175.800 -0.437 0.000 1.176 216 F CA -1.799 56.046 58.000 -0.257 0.000 0.977 216 F CB 1.333 40.259 39.000 -0.123 0.000 1.242 216 F HN 0.314 nan 8.300 nan 0.000 0.465 217 F N 6.912 126.534 119.950 -0.547 0.000 2.522 217 F HA 0.777 5.304 4.527 -0.000 0.000 0.324 217 F C -0.646 174.609 175.800 -0.909 0.000 1.077 217 F CA -1.130 56.463 58.000 -0.677 0.000 0.944 217 F CB 1.770 40.557 39.000 -0.355 0.000 1.175 217 F HN 0.368 nan 8.300 nan 0.000 0.468 218 F N -1.521 118.087 119.950 -0.570 0.000 2.686 218 F HA 0.776 5.303 4.527 -0.000 0.000 0.311 218 F C 0.157 175.777 175.800 -0.300 0.000 1.128 218 F CA -1.509 56.155 58.000 -0.559 0.000 0.946 218 F CB 1.105 39.641 39.000 -0.774 0.000 1.336 218 F HN 0.499 nan 8.300 nan 0.000 0.457 219 G N 0.354 109.260 108.800 0.176 0.000 2.645 219 G HA2 0.158 4.118 3.960 -0.000 0.000 0.207 219 G HA3 0.158 4.118 3.960 -0.000 0.000 0.207 219 G C 0.031 175.098 174.900 0.279 0.000 1.145 219 G CA -0.492 44.712 45.100 0.173 0.000 0.831 219 G HN 0.490 nan 8.290 nan 0.000 0.563 220 R N 0.915 121.593 120.500 0.295 0.000 2.216 220 R HA 0.552 4.892 4.340 -0.000 0.000 0.332 220 R C -0.622 175.792 176.300 0.190 0.000 1.056 220 R CA -0.084 56.143 56.100 0.212 0.000 0.901 220 R CB 0.731 31.121 30.300 0.149 0.000 1.039 220 R HN 0.399 nan 8.270 nan 0.000 0.456 221 L N -1.615 119.707 121.223 0.165 0.000 2.469 221 L HA 0.564 4.904 4.340 -0.000 0.000 0.256 221 L C -0.572 176.351 176.870 0.089 0.000 1.006 221 L CA -1.338 53.572 54.840 0.117 0.000 0.832 221 L CB 1.961 44.137 42.059 0.196 0.000 1.421 221 L HN 0.312 nan 8.230 nan 0.000 0.410 222 D N 0.943 121.370 120.400 0.045 0.000 2.571 222 D HA -0.100 4.540 4.640 -0.000 0.000 0.231 222 D C 0.641 176.960 176.300 0.032 0.000 1.133 222 D CA 0.767 54.791 54.000 0.039 0.000 0.862 222 D CB 0.833 41.602 40.800 -0.050 0.000 1.179 222 D HN 0.685 nan 8.370 nan 0.000 0.474 223 Y N 2.425 122.726 120.300 0.001 0.000 2.224 223 Y HA -0.163 4.387 4.550 -0.000 0.000 0.289 223 Y C 2.066 177.960 175.900 -0.009 0.000 1.146 223 Y CA 1.188 59.286 58.100 -0.003 0.000 1.182 223 Y CB -0.656 37.800 38.460 -0.006 0.000 0.983 223 Y HN 0.410 nan 8.280 nan 0.000 0.524 224 Q N 0.157 119.441 119.800 -0.859 0.000 2.119 224 Q HA -0.172 4.168 4.340 -0.000 0.000 0.201 224 Q C 1.692 177.536 176.000 -0.259 0.000 0.972 224 Q CA 1.506 56.971 55.803 -0.563 0.000 0.847 224 Q CB -0.276 28.105 28.738 -0.596 0.000 0.903 224 Q HN 0.526 nan 8.270 nan 0.000 0.433 225 D N 1.105 121.381 120.400 -0.206 0.000 2.097 225 D HA -0.165 4.475 4.640 -0.000 0.000 0.195 225 D C 1.780 178.028 176.300 -0.088 0.000 0.989 225 D CA 1.216 55.143 54.000 -0.122 0.000 0.827 225 D CB 0.074 40.821 40.800 -0.088 0.000 0.966 225 D HN 0.052 nan 8.370 nan 0.000 0.456 226 K N 0.507 120.873 120.400 -0.058 0.000 2.009 226 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 226 K C 2.157 178.725 176.600 -0.053 0.000 1.049 226 K CA 1.372 57.638 56.287 -0.035 0.000 0.929 226 K CB -0.135 32.373 32.500 0.013 0.000 0.714 226 K HN -0.023 nan 8.250 nan 0.000 0.440 227 K N 0.552 120.924 120.400 -0.046 0.000 2.034 227 K HA -0.192 4.128 4.320 -0.000 0.000 0.214 227 K C 1.870 178.433 176.600 -0.062 0.000 1.051 227 K CA 2.177 58.439 56.287 -0.042 0.000 0.931 227 K CB -0.235 32.244 32.500 -0.035 0.000 0.715 227 K HN 0.078 nan 8.250 nan 0.000 0.446 228 V N 1.293 121.161 119.914 -0.077 0.000 2.287 228 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 228 V C 2.538 178.582 176.094 -0.084 0.000 1.053 228 V CA 2.115 64.369 62.300 -0.077 0.000 1.027 228 V CB -0.658 31.115 31.823 -0.083 0.000 0.646 228 V HN 0.371 nan 8.190 nan 0.000 0.447 229 R N 0.124 120.567 120.500 -0.096 0.000 2.091 229 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 229 R C 2.446 178.662 176.300 -0.140 0.000 1.136 229 R CA 1.565 57.594 56.100 -0.118 0.000 0.959 229 R CB -0.329 29.894 30.300 -0.128 0.000 0.856 229 R HN 0.519 nan 8.270 nan 0.000 0.437 230 K N 0.557 120.877 120.400 -0.134 0.000 2.097 230 K HA -0.125 4.195 4.320 -0.000 0.000 0.205 230 K C 1.944 178.478 176.600 -0.110 0.000 1.050 230 K CA 1.196 57.394 56.287 -0.148 0.000 0.938 230 K CB 0.017 32.448 32.500 -0.114 0.000 0.718 230 K HN 0.183 nan 8.250 nan 0.000 0.442 231 K N 0.286 120.636 120.400 -0.083 0.000 2.155 231 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 231 K C 1.799 178.361 176.600 -0.064 0.000 1.052 231 K CA 1.554 57.803 56.287 -0.063 0.000 0.948 231 K CB 0.005 32.475 32.500 -0.050 0.000 0.728 231 K HN 0.212 nan 8.250 nan 0.000 0.448 232 T N -0.699 113.810 114.554 -0.074 0.000 3.235 232 T HA 0.234 4.584 4.350 -0.000 0.000 0.251 232 T C 0.620 175.273 174.700 -0.077 0.000 1.060 232 T CA -0.312 61.747 62.100 -0.068 0.000 0.949 232 T CB -0.534 68.294 68.868 -0.066 0.000 1.020 232 T HN 0.150 nan 8.240 nan 0.000 0.564 233 L N 0.065 121.229 121.223 -0.098 0.000 3.833 233 L HA -0.206 4.134 4.340 -0.000 0.000 0.447 233 L C 0.813 177.613 176.870 -0.116 0.000 1.213 233 L CA 0.316 55.087 54.840 -0.114 0.000 0.801 233 L CB -1.315 40.705 42.059 -0.065 0.000 1.676 233 L HN 0.414 nan 8.230 nan 0.000 0.883 234 Q N -0.605 119.110 119.800 -0.142 0.000 2.155 234 Q HA 0.247 4.587 4.340 -0.000 0.000 0.273 234 Q C 1.351 177.244 176.000 -0.178 0.000 0.857 234 Q CA -0.178 55.547 55.803 -0.131 0.000 1.116 234 Q CB 0.480 29.153 28.738 -0.107 0.000 1.209 234 Q HN 0.346 nan 8.270 nan 0.000 0.460 235 M N -0.035 119.411 119.600 -0.256 0.000 2.374 235 M HA 0.002 4.482 4.480 -0.000 0.000 0.264 235 M C -0.350 175.823 176.300 -0.211 0.000 1.067 235 M CA 1.182 56.302 55.300 -0.300 0.000 1.103 235 M CB -0.352 31.864 32.600 -0.640 0.000 1.402 235 M HN 0.199 nan 8.290 nan 0.000 0.444 236 E N 0.576 120.683 120.200 -0.154 0.000 2.272 236 E HA 0.538 4.888 4.350 -0.000 0.000 0.269 236 E C -0.529 175.939 176.600 -0.219 0.000 0.877 236 E CA -0.650 55.627 56.400 -0.205 0.000 0.755 236 E CB 1.939 31.635 29.700 -0.007 0.000 1.192 236 E HN 0.230 nan 8.360 nan 0.000 0.422 237 Q N -0.529 119.011 119.800 -0.432 0.000 2.832 237 Q HA 0.559 4.899 4.340 -0.000 0.000 0.329 237 Q C -1.593 174.180 176.000 -0.378 0.000 0.816 237 Q CA -0.971 54.670 55.803 -0.269 0.000 0.804 237 Q CB 1.168 29.817 28.738 -0.148 0.000 1.376 237 Q HN 0.306 nan 8.270 nan 0.000 0.503 238 V N 1.291 121.169 119.914 -0.059 0.000 2.398 238 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 238 V C -1.358 174.828 176.094 0.154 0.000 1.026 238 V CA -0.392 61.955 62.300 0.078 0.000 0.868 238 V CB 1.263 33.200 31.823 0.188 0.000 0.982 238 V HN 0.671 nan 8.190 nan 0.000 0.443 239 W N 6.427 127.708 121.300 -0.031 0.000 2.308 239 W HA 0.448 5.108 4.660 -0.000 0.000 0.311 239 W C 0.310 176.832 176.519 0.006 0.000 1.088 239 W CA -1.405 55.936 57.345 -0.007 0.000 1.309 239 W CB 0.635 30.103 29.460 0.012 0.000 1.229 239 W HN 0.437 nan 8.180 nan 0.000 0.427 240 R N 4.523 125.239 120.500 0.361 0.000 2.248 240 R HA 0.323 4.663 4.340 -0.000 0.000 0.337 240 R C 0.845 177.171 176.300 0.044 0.000 1.106 240 R CA 0.082 56.261 56.100 0.131 0.000 0.959 240 R CB 0.626 30.996 30.300 0.117 0.000 1.075 240 R HN 0.562 nan 8.270 nan 0.000 0.480 241 A N 2.078 124.755 122.820 -0.239 0.000 2.251 241 A HA 0.043 4.363 4.320 -0.000 0.000 0.209 241 A C 0.590 178.052 177.584 -0.205 0.000 1.187 241 A CA 0.366 52.161 52.037 -0.403 0.000 0.823 241 A CB 0.410 18.979 19.000 -0.718 0.000 0.846 241 A HN 0.467 nan 8.150 nan 0.000 0.486 242 S N -1.971 113.659 115.700 -0.116 0.000 2.538 242 S HA 0.480 4.950 4.470 -0.000 0.000 0.288 242 S C 0.337 174.911 174.600 -0.043 0.000 1.108 242 S CA -0.219 57.928 58.200 -0.088 0.000 0.971 242 S CB 1.658 64.798 63.200 -0.099 0.000 1.041 242 S HN 0.101 nan 8.310 nan 0.000 0.483 243 T N 2.828 117.360 114.554 -0.036 0.000 3.105 243 T HA 0.245 4.595 4.350 -0.000 0.000 0.253 243 T C 0.946 175.630 174.700 -0.026 0.000 1.047 243 T CA 0.125 62.214 62.100 -0.019 0.000 0.944 243 T CB 0.135 68.997 68.868 -0.010 0.000 1.016 243 T HN 0.436 nan 8.240 nan 0.000 0.544 244 S N 0.214 115.890 115.700 -0.040 0.000 2.979 244 S HA 0.392 4.862 4.470 -0.000 0.000 0.243 244 S C 0.499 175.076 174.600 -0.039 0.000 1.036 244 S CA -0.294 57.882 58.200 -0.041 0.000 0.846 244 S CB 0.237 63.405 63.200 -0.054 0.000 0.806 244 S HN 0.280 nan 8.310 nan 0.000 0.568 245 L N 2.972 124.165 121.223 -0.049 0.000 2.483 245 L HA 0.149 4.489 4.340 -0.000 0.000 0.276 245 L C 0.222 177.073 176.870 -0.031 0.000 1.213 245 L CA -0.034 54.779 54.840 -0.044 0.000 0.843 245 L CB 0.196 42.221 42.059 -0.057 0.000 1.107 245 L HN 0.032 nan 8.230 nan 0.000 0.487 246 K N 2.839 123.225 120.400 -0.024 0.000 2.297 246 K HA 0.309 4.629 4.320 -0.000 0.000 0.286 246 K C -2.223 174.370 176.600 -0.012 0.000 1.053 246 K CA -1.853 54.425 56.287 -0.015 0.000 0.940 246 K CB 0.577 33.069 32.500 -0.013 0.000 1.019 246 K HN 0.210 nan 8.250 nan 0.000 0.475 247 P HA -0.022 nan 4.420 nan 0.000 0.266 247 P C -1.873 175.428 177.300 0.002 0.000 1.186 247 P CA -0.582 62.519 63.100 0.002 0.000 0.767 247 P CB 0.091 31.797 31.700 0.010 0.000 0.820 248 P HA 0.045 nan 4.420 nan 0.000 0.257 248 P C 1.043 178.346 177.300 0.006 0.000 1.281 248 P CA 0.522 63.629 63.100 0.012 0.000 0.826 248 P CB -0.043 31.666 31.700 0.014 0.000 1.237 249 T N 0.312 114.863 114.554 -0.006 0.000 2.665 249 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 249 T C 1.413 176.097 174.700 -0.027 0.000 1.035 249 T CA 1.899 63.989 62.100 -0.016 0.000 1.151 249 T CB -0.316 68.536 68.868 -0.026 0.000 0.862 249 T HN 0.141 nan 8.240 nan 0.000 0.438 250 A N 1.054 123.851 122.820 -0.038 0.000 2.713 250 A HA 0.352 4.672 4.320 -0.000 0.000 0.296 250 A C -0.581 176.965 177.584 -0.063 0.000 1.255 250 A CA -0.469 51.525 52.037 -0.072 0.000 0.955 250 A CB 0.299 19.237 19.000 -0.104 0.000 1.149 250 A HN 0.141 nan 8.150 nan 0.000 0.538 251 D N 0.753 121.148 120.400 -0.008 0.000 2.443 251 D HA 0.416 5.056 4.640 -0.000 0.000 0.221 251 D C -1.024 175.318 176.300 0.070 0.000 1.097 251 D CA 0.113 54.135 54.000 0.037 0.000 0.865 251 D CB 1.552 42.388 40.800 0.061 0.000 1.034 251 D HN 0.229 nan 8.370 nan 0.000 0.511 252 L N 3.569 124.834 121.223 0.071 0.000 2.296 252 L HA 0.435 4.775 4.340 -0.000 0.000 0.286 252 L C -0.871 176.120 176.870 0.202 0.000 1.023 252 L CA -0.777 54.133 54.840 0.118 0.000 0.812 252 L CB 0.989 43.062 42.059 0.023 0.000 1.223 252 L HN 0.107 nan 8.230 nan 0.000 0.421 253 F N 3.620 123.609 119.950 0.066 0.000 2.471 253 F HA 0.459 4.986 4.527 -0.000 0.000 0.353 253 F C 0.155 175.955 175.800 0.001 0.000 1.113 253 F CA 0.256 58.269 58.000 0.022 0.000 1.262 253 F CB 0.710 39.685 39.000 -0.041 0.000 1.146 253 F HN 0.555 nan 8.300 nan 0.000 0.578 254 T N 3.933 118.030 114.554 -0.763 0.000 2.886 254 T HA 0.427 4.776 4.350 -0.000 0.000 0.292 254 T C -1.072 173.147 174.700 -0.801 0.000 1.012 254 T CA -0.821 60.962 62.100 -0.529 0.000 0.982 254 T CB 1.488 70.296 68.868 -0.101 0.000 1.018 254 T HN 0.536 nan 8.240 nan 0.000 0.451 255 S N 2.001 117.222 115.700 -0.799 0.000 2.647 255 S HA 0.527 4.997 4.470 -0.000 0.000 0.300 255 S C -0.560 173.675 174.600 -0.608 0.000 1.129 255 S CA -0.604 57.258 58.200 -0.564 0.000 1.029 255 S CB 0.680 63.680 63.200 -0.334 0.000 1.007 255 S HN 0.513 nan 8.310 nan 0.000 0.484 256 V N 7.021 126.645 119.914 -0.483 0.000 2.405 256 V HA 0.268 4.388 4.120 -0.000 0.000 0.264 256 V C 0.542 176.578 176.094 -0.096 0.000 1.048 256 V CA -0.397 61.627 62.300 -0.461 0.000 0.966 256 V CB 0.147 31.788 31.823 -0.305 0.000 1.015 256 V HN 0.801 nan 8.190 nan 0.000 0.477 257 L N 7.236 128.392 121.223 -0.112 0.000 2.482 257 L HA 0.088 4.428 4.340 -0.000 0.000 0.273 257 L C -1.024 175.897 176.870 0.086 0.000 1.228 257 L CA -0.978 53.869 54.840 0.012 0.000 0.827 257 L CB 0.140 42.157 42.059 -0.071 0.000 1.099 257 L HN 0.419 nan 8.230 nan 0.000 0.494 258 P HA -0.127 nan 4.420 nan 0.000 0.208 258 P C 0.248 177.585 177.300 0.062 0.000 1.200 258 P CA 1.138 64.316 63.100 0.129 0.000 0.924 258 P CB 0.144 31.910 31.700 0.110 0.000 0.774 259 N N -1.566 117.158 118.700 0.040 0.000 2.908 259 N HA 0.250 4.990 4.740 -0.000 0.000 0.316 259 N C 0.584 176.083 175.510 -0.017 0.000 1.619 259 N CA -0.285 52.772 53.050 0.011 0.000 1.045 259 N CB -0.797 37.696 38.487 0.010 0.000 1.357 259 N HN -0.152 nan 8.380 nan 0.000 0.501 260 M N 0.526 120.126 119.600 -0.002 0.000 7.319 260 M HA -0.363 4.117 4.480 -0.000 0.000 0.271 260 M C -0.645 175.688 176.300 0.055 0.000 0.480 260 M CA 2.810 58.106 55.300 -0.006 0.000 1.311 260 M CB -1.243 31.279 32.600 -0.130 0.000 0.421 260 M HN 0.445 nan 8.290 nan 0.000 0.369 261 Y N -1.271 119.006 120.300 -0.038 0.000 3.024 261 Y HA 0.582 5.132 4.550 -0.000 0.000 0.283 261 Y C -0.324 175.645 175.900 0.115 0.000 1.040 261 Y CA -0.634 57.452 58.100 -0.023 0.000 1.283 261 Y CB -0.854 37.524 38.460 -0.137 0.000 1.367 261 Y HN 0.389 nan 8.280 nan 0.000 0.589 262 N N 2.634 121.323 118.700 -0.017 0.000 2.443 262 N HA 0.393 5.133 4.740 -0.000 0.000 0.293 262 N C -2.895 172.664 175.510 0.081 0.000 1.159 262 N CA -1.570 51.496 53.050 0.026 0.000 0.904 262 N CB 1.539 39.966 38.487 -0.100 0.000 1.214 262 N HN -0.105 nan 8.380 nan 0.000 0.513 263 P HA 0.071 nan 4.420 nan 0.000 0.269 263 P C -2.444 174.890 177.300 0.057 0.000 1.211 263 P CA -0.349 62.830 63.100 0.131 0.000 0.781 263 P CB -0.153 31.663 31.700 0.192 0.000 0.877 264 P HA 0.163 nan 4.420 nan 0.000 0.275 264 P C -0.300 177.020 177.300 0.034 0.000 1.228 264 P CA 0.181 63.299 63.100 0.030 0.000 0.786 264 P CB 0.013 31.719 31.700 0.010 0.000 0.927 265 E N 1.588 121.821 120.200 0.054 0.000 2.603 265 E HA 0.302 4.652 4.350 -0.000 0.000 0.242 265 E C 1.285 177.930 176.600 0.074 0.000 1.083 265 E CA 0.525 56.953 56.400 0.046 0.000 0.950 265 E CB -1.648 28.084 29.700 0.055 0.000 0.952 265 E HN 0.874 nan 8.360 nan 0.000 0.498 266 G N 1.412 110.184 108.800 -0.047 0.000 2.231 266 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.206 266 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.206 266 G C 0.773 175.525 174.900 -0.246 0.000 0.996 266 G CA 0.125 45.167 45.100 -0.096 0.000 0.645 266 G HN 0.971 nan 8.290 nan 0.000 0.498 267 L N 0.771 121.780 121.223 -0.357 0.000 3.110 267 L HA 0.436 4.776 4.340 -0.000 0.000 0.266 267 L C 0.759 176.923 176.870 -1.177 0.000 1.257 267 L CA -0.604 53.700 54.840 -0.893 0.000 1.038 267 L CB 0.826 42.640 42.059 -0.409 0.000 1.395 267 L HN 0.262 nan 8.230 nan 0.000 0.566 268 C N 1.426 120.187 119.300 -0.899 0.000 2.246 268 C HA 0.290 4.750 4.460 -0.000 0.000 0.329 268 C C 0.833 175.146 174.990 -1.127 0.000 1.221 268 C CA -0.335 58.211 59.018 -0.787 0.000 1.697 268 C CB -0.324 27.226 27.740 -0.318 0.000 2.312 268 C HN 0.650 nan 8.230 nan 0.000 0.509 269 W N 3.186 123.650 121.300 -1.393 0.000 3.123 269 W HA 0.198 4.858 4.660 -0.000 0.000 0.383 269 W C 0.806 176.551 176.519 -1.290 0.000 1.102 269 W CA -0.362 56.278 57.345 -1.175 0.000 1.865 269 W CB -0.582 28.319 29.460 -0.932 0.000 1.111 269 W HN 0.730 nan 8.180 nan 0.000 0.621 270 D N -0.128 119.552 120.400 -1.201 0.000 2.369 270 D HA -0.025 4.615 4.640 -0.000 0.000 0.241 270 D C 1.649 177.805 176.300 -0.240 0.000 1.271 270 D CA 0.479 54.138 54.000 -0.569 0.000 0.942 270 D CB 0.957 41.790 40.800 0.055 0.000 1.129 270 D HN -0.325 nan 8.370 nan 0.000 0.476 271 M N 0.970 120.516 119.600 -0.090 0.000 2.557 271 M HA -0.003 4.477 4.480 -0.000 0.000 0.259 271 M C 1.365 177.655 176.300 -0.017 0.000 1.086 271 M CA 0.805 56.078 55.300 -0.045 0.000 1.096 271 M CB -0.544 32.051 32.600 -0.007 0.000 1.424 271 M HN 0.462 nan 8.290 nan 0.000 0.488 272 L N -0.988 120.239 121.223 0.006 0.000 2.416 272 L HA 0.089 4.429 4.340 -0.000 0.000 0.216 272 L C 1.573 178.444 176.870 0.002 0.000 1.098 272 L CA -0.169 54.692 54.840 0.035 0.000 0.840 272 L CB -0.624 41.494 42.059 0.099 0.000 0.981 272 L HN 0.346 nan 8.230 nan 0.000 0.462 273 C N 0.022 119.291 119.300 -0.053 0.000 2.328 273 C HA 0.793 5.253 4.460 -0.000 0.000 0.378 273 C C 1.241 176.182 174.990 -0.082 0.000 1.249 273 C CA 0.018 58.987 59.018 -0.082 0.000 2.204 273 C CB 0.710 28.353 27.740 -0.161 0.000 2.218 273 C HN 0.372 nan 8.230 nan 0.000 0.564 274 A N 0.694 123.467 122.820 -0.077 0.000 2.603 274 A HA 0.405 4.725 4.320 -0.000 0.000 0.277 274 A C 0.074 177.626 177.584 -0.053 0.000 1.158 274 A CA 0.128 52.133 52.037 -0.053 0.000 0.962 274 A CB -0.355 18.624 19.000 -0.035 0.000 1.189 274 A HN 0.883 nan 8.150 nan 0.000 0.552 275 D N 1.992 122.332 120.400 -0.100 0.000 2.506 275 D HA 0.068 4.708 4.640 -0.000 0.000 0.234 275 D C 0.179 176.500 176.300 0.034 0.000 1.143 275 D CA 0.825 54.766 54.000 -0.099 0.000 0.871 275 D CB 0.597 41.225 40.800 -0.286 0.000 1.190 275 D HN 0.245 nan 8.370 nan 0.000 0.459 276 K N 3.495 123.928 120.400 0.054 0.000 2.447 276 K HA 0.102 4.422 4.320 -0.000 0.000 0.281 276 K C -1.979 174.775 176.600 0.257 0.000 1.031 276 K CA -0.957 55.389 56.287 0.098 0.000 1.019 276 K CB 0.249 32.775 32.500 0.043 0.000 0.918 276 K HN 0.310 nan 8.250 nan 0.000 0.476 277 P HA 0.049 nan 4.420 nan 0.000 0.276 277 P C -0.434 176.799 177.300 -0.112 0.000 1.261 277 P CA -0.526 62.559 63.100 -0.024 0.000 0.800 277 P CB 0.549 32.167 31.700 -0.136 0.000 1.066 278 V N 1.359 121.076 119.914 -0.329 0.000 2.479 278 V HA 0.071 4.191 4.120 -0.000 0.000 0.281 278 V C 0.425 176.413 176.094 -0.176 0.000 1.031 278 V CA 0.133 62.286 62.300 -0.244 0.000 1.038 278 V CB 0.643 32.261 31.823 -0.341 0.000 0.981 278 V HN 0.201 nan 8.190 nan 0.000 0.478 279 V N 5.263 125.092 119.914 -0.143 0.000 2.407 279 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 279 V C 0.588 176.643 176.094 -0.066 0.000 1.018 279 V CA -0.413 61.838 62.300 -0.082 0.000 0.842 279 V CB 1.348 33.145 31.823 -0.043 0.000 0.996 279 V HN 0.949 nan 8.190 nan 0.000 0.426 280 E N 1.385 121.607 120.200 0.037 0.000 2.251 280 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 280 E C 0.385 177.169 176.600 0.307 0.000 0.964 280 E CA -0.076 56.426 56.400 0.171 0.000 0.868 280 E CB 0.284 30.032 29.700 0.080 0.000 0.828 280 E HN 0.792 nan 8.360 nan 0.000 0.481 281 D N 1.509 122.012 120.400 0.173 0.000 2.536 281 D HA -0.104 4.536 4.640 -0.000 0.000 0.260 281 D C 0.986 177.340 176.300 0.091 0.000 1.270 281 D CA 0.506 54.567 54.000 0.102 0.000 0.934 281 D CB 0.813 41.650 40.800 0.060 0.000 1.129 281 D HN -0.038 nan 8.370 nan 0.000 0.533 282 T N 3.281 117.787 114.554 -0.080 0.000 2.962 282 T HA -0.187 4.163 4.350 -0.000 0.000 0.270 282 T C 1.570 176.120 174.700 -0.251 0.000 1.088 282 T CA 1.368 63.246 62.100 -0.371 0.000 1.127 282 T CB 0.004 68.688 68.868 -0.308 0.000 0.883 282 T HN 0.603 nan 8.240 nan 0.000 0.493 283 R N 0.426 120.861 120.500 -0.107 0.000 2.317 283 R HA 0.375 4.715 4.340 -0.000 0.000 0.208 283 R C 0.888 177.172 176.300 -0.027 0.000 0.914 283 R CA -0.093 55.966 56.100 -0.068 0.000 1.060 283 R CB 0.066 30.339 30.300 -0.045 0.000 1.015 283 R HN 0.160 nan 8.270 nan 0.000 0.498 284 S N 1.440 117.143 115.700 0.004 0.000 2.480 284 S HA 0.295 4.764 4.470 -0.000 0.000 0.286 284 S C -1.789 172.856 174.600 0.075 0.000 1.180 284 S CA -2.008 56.218 58.200 0.042 0.000 1.075 284 S CB 1.387 64.624 63.200 0.062 0.000 0.996 284 S HN -0.067 nan 8.310 nan 0.000 0.487 285 P HA -0.073 nan 4.420 nan 0.000 0.218 285 P C 0.616 177.962 177.300 0.077 0.000 1.146 285 P CA 0.915 64.049 63.100 0.057 0.000 0.813 285 P CB 0.159 31.878 31.700 0.031 0.000 0.778 286 E N -1.928 118.315 120.200 0.072 0.000 2.494 286 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 286 E C 0.139 176.781 176.600 0.071 0.000 1.074 286 E CA -0.224 56.208 56.400 0.054 0.000 0.867 286 E CB -0.749 28.967 29.700 0.027 0.000 0.924 286 E HN 0.395 nan 8.360 nan 0.000 0.502 287 Y N 3.592 123.890 120.300 -0.003 0.000 2.802 287 Y HA -0.122 4.428 4.550 -0.000 0.000 0.333 287 Y C 0.911 176.815 175.900 0.007 0.000 1.244 287 Y CA 0.397 58.496 58.100 -0.001 0.000 1.558 287 Y CB 0.173 38.633 38.460 -0.000 0.000 1.233 287 Y HN -0.005 nan 8.280 nan 0.000 0.547 288 N N 3.552 121.912 118.700 -0.566 0.000 2.081 288 N HA 0.101 4.841 4.740 -0.000 0.000 0.230 288 N C 0.843 176.066 175.510 -0.478 0.000 1.351 288 N CA 0.381 53.197 53.050 -0.391 0.000 0.840 288 N CB -0.575 37.819 38.487 -0.156 0.000 1.189 288 N HN 0.537 nan 8.380 nan 0.000 0.503 289 A N 1.794 124.091 122.820 -0.871 0.000 1.883 289 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 289 A C 2.136 179.576 177.584 -0.241 0.000 1.186 289 A CA 1.448 53.195 52.037 -0.484 0.000 0.624 289 A CB -0.425 18.321 19.000 -0.424 0.000 0.822 289 A HN 0.289 nan 8.150 nan 0.000 0.444 290 K N -0.716 119.546 120.400 -0.230 0.000 2.002 290 K HA -0.129 4.191 4.320 -0.000 0.000 0.209 290 K C 2.024 178.644 176.600 0.034 0.000 1.048 290 K CA 1.370 57.677 56.287 0.032 0.000 0.930 290 K CB -0.203 32.412 32.500 0.191 0.000 0.714 290 K HN 0.397 nan 8.250 nan 0.000 0.438 291 E N 1.251 121.455 120.200 0.007 0.000 2.118 291 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 291 E C 2.080 178.735 176.600 0.091 0.000 0.992 291 E CA 0.722 57.148 56.400 0.043 0.000 0.804 291 E CB -0.365 29.341 29.700 0.011 0.000 0.741 291 E HN 0.281 nan 8.360 nan 0.000 0.458 292 L N 0.570 121.831 121.223 0.063 0.000 1.971 292 L HA -0.230 4.110 4.340 -0.000 0.000 0.215 292 L C 2.433 179.442 176.870 0.232 0.000 1.072 292 L CA 1.298 56.231 54.840 0.155 0.000 0.758 292 L CB -0.254 41.857 42.059 0.087 0.000 0.889 292 L HN -0.018 nan 8.230 nan 0.000 0.433 293 V N 0.125 120.128 119.914 0.149 0.000 2.407 293 V HA -0.327 3.793 4.120 -0.000 0.000 0.248 293 V C 3.238 179.454 176.094 0.203 0.000 1.055 293 V CA 2.305 64.706 62.300 0.168 0.000 1.049 293 V CB -1.138 30.744 31.823 0.098 0.000 0.662 293 V HN 0.639 nan 8.190 nan 0.000 0.455 294 R N -0.812 119.790 120.500 0.169 0.000 2.081 294 R HA -0.233 4.106 4.340 -0.000 0.000 0.235 294 R C 2.133 178.552 176.300 0.198 0.000 1.131 294 R CA 2.074 58.266 56.100 0.153 0.000 0.960 294 R CB -1.487 28.887 30.300 0.125 0.000 0.856 294 R HN 0.701 nan 8.270 nan 0.000 0.436 295 Y N 0.013 120.371 120.300 0.097 0.000 2.089 295 Y HA -0.079 4.471 4.550 -0.000 0.000 0.282 295 Y C 2.062 178.023 175.900 0.102 0.000 1.139 295 Y CA 1.437 59.588 58.100 0.084 0.000 1.123 295 Y CB -0.949 37.563 38.460 0.086 0.000 0.980 295 Y HN 0.277 nan 8.280 nan 0.000 0.493 296 F N 0.440 120.348 119.950 -0.071 0.000 2.015 296 F HA -0.349 4.178 4.527 -0.000 0.000 0.297 296 F C 2.278 178.002 175.800 -0.127 0.000 1.141 296 F CA 2.356 60.261 58.000 -0.158 0.000 1.192 296 F CB -0.994 38.004 39.000 -0.004 0.000 0.957 296 F HN 0.099 nan 8.300 nan 0.000 0.491 297 L N 0.469 121.747 121.223 0.091 0.000 2.054 297 L HA -0.372 3.968 4.340 -0.000 0.000 0.220 297 L C 2.645 179.429 176.870 -0.142 0.000 1.081 297 L CA 2.377 57.212 54.840 -0.008 0.000 0.780 297 L CB -0.992 41.123 42.059 0.092 0.000 0.893 297 L HN 0.301 nan 8.230 nan 0.000 0.438 298 K N 0.498 120.829 120.400 -0.115 0.000 2.097 298 K HA -0.189 4.131 4.320 -0.000 0.000 0.205 298 K C 2.181 178.656 176.600 -0.209 0.000 1.050 298 K CA 1.294 57.514 56.287 -0.112 0.000 0.938 298 K CB -0.139 32.338 32.500 -0.039 0.000 0.718 298 K HN 0.299 nan 8.250 nan 0.000 0.442 299 L N 0.696 121.696 121.223 -0.372 0.000 2.083 299 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 299 L C 2.555 179.180 176.870 -0.410 0.000 1.083 299 L CA 1.349 55.918 54.840 -0.452 0.000 0.752 299 L CB -0.378 41.258 42.059 -0.706 0.000 0.899 299 L HN 0.397 nan 8.230 nan 0.000 0.433 300 A N -0.478 122.017 122.820 -0.541 0.000 1.872 300 A HA -0.195 4.125 4.320 -0.000 0.000 0.214 300 A C 2.286 179.742 177.584 -0.212 0.000 1.187 300 A CA 1.901 53.675 52.037 -0.437 0.000 0.614 300 A CB -0.990 17.668 19.000 -0.570 0.000 0.826 300 A HN 0.523 nan 8.150 nan 0.000 0.442 301 T N -2.620 111.833 114.554 -0.169 0.000 2.962 301 T HA -0.119 4.231 4.350 -0.000 0.000 0.270 301 T C 1.277 175.937 174.700 -0.067 0.000 1.088 301 T CA 1.487 63.533 62.100 -0.089 0.000 1.127 301 T CB -0.330 68.499 68.868 -0.064 0.000 0.883 301 T HN 0.342 nan 8.240 nan 0.000 0.493 302 D N 1.054 121.401 120.400 -0.089 0.000 2.123 302 D HA -0.064 4.576 4.640 -0.000 0.000 0.200 302 D C 2.191 178.473 176.300 -0.030 0.000 0.976 302 D CA 1.012 54.977 54.000 -0.058 0.000 0.831 302 D CB -0.218 40.538 40.800 -0.074 0.000 0.974 302 D HN 0.575 nan 8.370 nan 0.000 0.469 303 Q N 0.387 120.164 119.800 -0.038 0.000 2.083 303 Q HA -0.074 4.266 4.340 -0.000 0.000 0.198 303 Q C 2.131 178.196 176.000 0.109 0.000 0.969 303 Q CA 1.568 57.392 55.803 0.035 0.000 0.838 303 Q CB -0.253 28.484 28.738 -0.003 0.000 0.900 303 Q HN 0.204 nan 8.270 nan 0.000 0.436 304 G N 1.472 110.299 108.800 0.044 0.000 2.513 304 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.219 304 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.219 304 G C 1.250 176.210 174.900 0.099 0.000 1.160 304 G CA 1.149 46.291 45.100 0.071 0.000 0.767 304 G HN 0.361 nan 8.290 nan 0.000 0.571 305 K N 0.009 120.437 120.400 0.047 0.000 2.362 305 K HA -0.014 4.305 4.320 -0.000 0.000 0.202 305 K C 2.229 178.839 176.600 0.016 0.000 1.045 305 K CA 0.644 56.946 56.287 0.025 0.000 0.936 305 K CB -0.210 32.290 32.500 0.001 0.000 0.747 305 K HN 0.357 nan 8.250 nan 0.000 0.467 306 L N -0.645 120.601 121.223 0.038 0.000 2.375 306 L HA 0.032 4.372 4.340 -0.000 0.000 0.215 306 L C 0.269 176.985 176.870 -0.255 0.000 1.108 306 L CA 0.204 54.979 54.840 -0.108 0.000 0.830 306 L CB 0.040 42.011 42.059 -0.147 0.000 0.959 306 L HN 0.035 nan 8.230 nan 0.000 0.457 307 Y N -1.271 119.029 120.300 0.001 0.000 2.468 307 Y HA 0.336 4.886 4.550 -0.000 0.000 0.342 307 Y C 1.246 177.161 175.900 0.026 0.000 1.021 307 Y CA -0.984 57.127 58.100 0.018 0.000 1.079 307 Y CB 1.137 39.621 38.460 0.041 0.000 1.226 307 Y HN -0.225 nan 8.280 nan 0.000 0.460 308 R N -0.113 120.499 120.500 0.185 0.000 2.120 308 R HA -0.053 4.287 4.340 -0.000 0.000 0.234 308 R C 0.587 176.960 176.300 0.121 0.000 1.123 308 R CA 1.450 57.623 56.100 0.122 0.000 0.975 308 R CB -0.220 30.142 30.300 0.103 0.000 0.866 308 R HN 0.771 nan 8.270 nan 0.000 0.446 309 T N -1.837 112.813 114.554 0.160 0.000 2.923 309 T HA 0.236 4.586 4.350 -0.000 0.000 0.281 309 T C 0.629 175.380 174.700 0.084 0.000 0.995 309 T CA -0.976 61.206 62.100 0.137 0.000 0.985 309 T CB 1.541 70.535 68.868 0.210 0.000 1.114 309 T HN -0.222 nan 8.240 nan 0.000 0.548 310 K N 0.910 121.304 120.400 -0.010 0.000 2.632 310 K HA 0.088 4.407 4.320 -0.000 0.000 0.196 310 K C 0.006 176.396 176.600 -0.350 0.000 1.023 310 K CA 0.237 56.420 56.287 -0.173 0.000 1.098 310 K CB -0.639 31.713 32.500 -0.246 0.000 0.862 310 K HN 0.593 nan 8.250 nan 0.000 0.504 311 H N -0.063 119.048 119.070 0.068 0.000 2.637 311 H HA 0.367 4.923 4.556 -0.000 0.000 0.363 311 H C -0.263 175.075 175.328 0.017 0.000 1.131 311 H CA -0.307 55.796 56.048 0.093 0.000 1.183 311 H CB 2.055 31.921 29.762 0.172 0.000 1.637 311 H HN -0.114 nan 8.280 nan 0.000 0.531 312 T N 1.127 115.762 114.554 0.134 0.000 2.923 312 T HA 0.217 4.567 4.350 -0.000 0.000 0.311 312 T C -0.381 174.319 174.700 -0.001 0.000 1.183 312 T CA -0.626 61.401 62.100 -0.120 0.000 1.020 312 T CB 2.399 71.141 68.868 -0.210 0.000 1.165 312 T HN 0.322 nan 8.240 nan 0.000 0.482 313 V N 2.879 122.725 119.914 -0.112 0.000 2.997 313 V HA 0.746 4.866 4.120 -0.000 0.000 0.311 313 V C -0.891 175.201 176.094 -0.003 0.000 1.066 313 V CA -0.875 61.416 62.300 -0.017 0.000 1.039 313 V CB 1.393 33.176 31.823 -0.067 0.000 1.081 313 V HN 0.905 nan 8.190 nan 0.000 0.467 314 M N 4.798 124.430 119.600 0.053 0.000 2.098 314 M HA 0.233 4.713 4.480 -0.000 0.000 0.265 314 M C -0.483 175.876 176.300 0.098 0.000 0.940 314 M CA -0.442 54.906 55.300 0.080 0.000 1.007 314 M CB 1.852 34.529 32.600 0.127 0.000 1.823 314 M HN 0.806 nan 8.290 nan 0.000 0.453 315 T N 1.085 115.709 114.554 0.117 0.000 2.743 315 T HA 0.335 4.685 4.350 -0.000 0.000 0.290 315 T C 0.299 175.113 174.700 0.190 0.000 0.908 315 T CA -0.549 61.671 62.100 0.200 0.000 1.092 315 T CB 0.190 69.215 68.868 0.261 0.000 0.882 315 T HN 0.510 nan 8.240 nan 0.000 0.531 316 M N 4.012 123.651 119.600 0.064 0.000 3.117 316 M HA 0.478 4.958 4.480 -0.000 0.000 0.292 316 M C 0.732 176.667 176.300 -0.608 0.000 1.357 316 M CA -0.209 54.982 55.300 -0.182 0.000 1.463 316 M CB -0.470 31.977 32.600 -0.255 0.000 1.105 316 M HN 1.102 nan 8.290 nan 0.000 0.553 317 G N -0.344 108.285 108.800 -0.286 0.000 2.358 317 G HA2 0.336 4.296 3.960 -0.000 0.000 0.303 317 G HA3 0.336 4.296 3.960 -0.000 0.000 0.303 317 G C -1.532 173.284 174.900 -0.141 0.000 1.537 317 G CA -0.510 44.388 45.100 -0.338 0.000 0.928 317 G HN 0.402 nan 8.290 nan 0.000 0.656 318 S N -1.350 114.413 115.700 0.105 0.000 3.132 318 S HA 0.614 5.084 4.470 -0.000 0.000 0.322 318 S C -1.135 173.661 174.600 0.327 0.000 1.124 318 S CA -0.536 57.859 58.200 0.324 0.000 0.906 318 S CB 1.036 64.398 63.200 0.269 0.000 1.349 318 S HN 0.604 nan 8.310 nan 0.000 0.686 319 D N 1.642 122.288 120.400 0.410 0.000 2.455 319 D HA 0.169 4.809 4.640 -0.000 0.000 0.265 319 D C -0.289 176.236 176.300 0.375 0.000 1.284 319 D CA 0.888 55.092 54.000 0.340 0.000 0.944 319 D CB -0.802 40.286 40.800 0.481 0.000 1.121 319 D HN 0.486 nan 8.370 nan 0.000 0.525 320 F N 0.090 120.137 119.950 0.162 0.000 3.039 320 F HA -0.291 4.236 4.527 -0.000 0.000 0.287 320 F C 1.065 176.981 175.800 0.194 0.000 0.956 320 F CA 0.601 58.680 58.000 0.131 0.000 0.971 320 F CB -1.795 37.278 39.000 0.122 0.000 0.943 320 F HN 0.355 nan 8.300 nan 0.000 0.766 321 Q N -1.483 118.526 119.800 0.348 0.000 2.166 321 Q HA 0.535 4.875 4.340 -0.000 0.000 0.226 321 Q C 0.294 176.599 176.000 0.508 0.000 0.989 321 Q CA -0.923 55.123 55.803 0.405 0.000 0.966 321 Q CB 0.874 29.886 28.738 0.456 0.000 1.173 321 Q HN 0.297 nan 8.270 nan 0.000 0.509 322 Y N -2.165 118.299 120.300 0.273 0.000 4.569 322 Y HA -0.283 4.266 4.550 -0.000 0.000 0.237 322 Y C 1.449 177.425 175.900 0.127 0.000 1.090 322 Y CA 0.856 59.070 58.100 0.190 0.000 2.052 322 Y CB -2.375 36.132 38.460 0.079 0.000 1.621 322 Y HN 0.891 nan 8.280 nan 0.000 0.682 323 E N 0.570 120.908 120.200 0.231 0.000 2.118 323 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 323 E C 0.993 177.668 176.600 0.125 0.000 0.992 323 E CA 1.605 58.113 56.400 0.180 0.000 0.804 323 E CB -0.107 29.687 29.700 0.157 0.000 0.741 323 E HN 0.374 nan 8.360 nan 0.000 0.458 324 N N -0.872 117.888 118.700 0.100 0.000 2.776 324 N HA 0.502 5.242 4.740 -0.000 0.000 0.245 324 N C 0.579 176.144 175.510 0.092 0.000 1.121 324 N CA 0.382 53.473 53.050 0.069 0.000 0.852 324 N CB 0.804 39.306 38.487 0.026 0.000 1.142 324 N HN 0.196 nan 8.380 nan 0.000 0.514 325 A N 2.744 125.653 122.820 0.149 0.000 2.024 325 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 325 A C 1.951 179.688 177.584 0.255 0.000 1.164 325 A CA 1.311 53.495 52.037 0.245 0.000 0.643 325 A CB -0.572 18.621 19.000 0.322 0.000 0.806 325 A HN 0.817 nan 8.150 nan 0.000 0.451 326 N N -0.173 118.644 118.700 0.194 0.000 2.166 326 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 326 N C 1.880 177.449 175.510 0.099 0.000 1.019 326 N CA 2.058 55.217 53.050 0.181 0.000 0.856 326 N CB -0.157 38.394 38.487 0.106 0.000 0.993 326 N HN 0.622 nan 8.380 nan 0.000 0.426 327 T N -2.438 112.129 114.554 0.022 0.000 2.759 327 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 327 T C 1.631 176.281 174.700 -0.082 0.000 1.042 327 T CA 0.941 63.002 62.100 -0.065 0.000 1.140 327 T CB -0.785 68.013 68.868 -0.118 0.000 0.864 327 T HN 0.380 nan 8.240 nan 0.000 0.455 328 W N 0.296 121.478 121.300 -0.196 0.000 2.413 328 W HA 0.199 4.859 4.660 -0.000 0.000 0.315 328 W C 2.066 178.480 176.519 -0.175 0.000 1.186 328 W CA 0.120 57.306 57.345 -0.265 0.000 1.326 328 W CB -0.359 28.622 29.460 -0.799 0.000 1.153 328 W HN 0.108 nan 8.180 nan 0.000 0.489 329 F N 0.634 120.790 119.950 0.345 0.000 2.171 329 F HA -0.159 4.367 4.527 -0.000 0.000 0.300 329 F C 2.298 178.148 175.800 0.083 0.000 1.090 329 F CA 1.620 59.757 58.000 0.228 0.000 1.293 329 F CB -1.202 37.912 39.000 0.190 0.000 1.013 329 F HN -0.207 nan 8.300 nan 0.000 0.486 330 K N 0.392 120.899 120.400 0.179 0.000 2.020 330 K HA -0.215 4.105 4.320 -0.000 0.000 0.212 330 K C 2.007 178.550 176.600 -0.096 0.000 1.050 330 K CA 1.808 58.112 56.287 0.029 0.000 0.929 330 K CB -0.225 32.259 32.500 -0.027 0.000 0.714 330 K HN 0.216 nan 8.250 nan 0.000 0.443 331 N N 0.696 119.238 118.700 -0.263 0.000 2.142 331 N HA -0.147 4.593 4.740 -0.000 0.000 0.186 331 N C 1.985 177.236 175.510 -0.432 0.000 1.023 331 N CA 1.088 53.780 53.050 -0.596 0.000 0.852 331 N CB -0.156 37.514 38.487 -1.362 0.000 0.998 331 N HN 0.192 nan 8.380 nan 0.000 0.424 332 L N 1.189 122.355 121.223 -0.094 0.000 2.079 332 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 332 L C 1.781 178.701 176.870 0.082 0.000 1.081 332 L CA 1.068 55.996 54.840 0.147 0.000 0.752 332 L CB -0.410 41.866 42.059 0.360 0.000 0.896 332 L HN 0.013 nan 8.230 nan 0.000 0.433 333 D N 0.184 120.631 120.400 0.077 0.000 2.104 333 D HA -0.167 4.472 4.640 -0.000 0.000 0.194 333 D C 2.222 178.512 176.300 -0.017 0.000 0.994 333 D CA 1.155 55.184 54.000 0.048 0.000 0.830 333 D CB -0.052 40.778 40.800 0.049 0.000 0.959 333 D HN 0.268 nan 8.370 nan 0.000 0.452 334 K N 0.365 120.723 120.400 -0.070 0.000 2.057 334 K HA -0.072 4.248 4.320 -0.000 0.000 0.206 334 K C 2.139 178.681 176.600 -0.096 0.000 1.050 334 K CA 0.207 56.439 56.287 -0.091 0.000 0.935 334 K CB -0.334 32.082 32.500 -0.139 0.000 0.715 334 K HN 0.149 nan 8.250 nan 0.000 0.439 335 L N 2.009 123.162 121.223 -0.118 0.000 1.990 335 L HA -0.193 4.146 4.340 -0.000 0.000 0.213 335 L C 2.190 178.970 176.870 -0.149 0.000 1.072 335 L CA 1.754 56.526 54.840 -0.114 0.000 0.755 335 L CB -0.679 41.364 42.059 -0.027 0.000 0.889 335 L HN 0.171 nan 8.230 nan 0.000 0.432 336 I N -0.625 119.889 120.570 -0.092 0.000 2.286 336 I HA -0.314 3.856 4.170 -0.000 0.000 0.248 336 I C 2.705 178.783 176.117 -0.065 0.000 1.115 336 I CA 1.129 62.379 61.300 -0.084 0.000 1.392 336 I CB -0.319 37.672 38.000 -0.015 0.000 1.065 336 I HN 0.467 nan 8.210 nan 0.000 0.418 337 Q N 1.167 120.939 119.800 -0.047 0.000 2.049 337 Q HA -0.158 4.182 4.340 -0.000 0.000 0.198 337 Q C 2.421 178.401 176.000 -0.033 0.000 0.971 337 Q CA 1.468 57.252 55.803 -0.031 0.000 0.833 337 Q CB -0.054 28.670 28.738 -0.022 0.000 0.896 337 Q HN 0.501 nan 8.270 nan 0.000 0.434 338 L N 0.134 121.330 121.223 -0.044 0.000 2.127 338 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 338 L C 2.394 179.248 176.870 -0.027 0.000 1.089 338 L CA 0.751 55.573 54.840 -0.029 0.000 0.757 338 L CB -0.237 41.801 42.059 -0.035 0.000 0.899 338 L HN 0.077 nan 8.230 nan 0.000 0.434 339 V N -0.746 119.126 119.914 -0.069 0.000 2.725 339 V HA -0.096 4.024 4.120 -0.000 0.000 0.247 339 V C 1.852 177.944 176.094 -0.004 0.000 1.058 339 V CA 1.125 63.398 62.300 -0.045 0.000 1.080 339 V CB -0.406 31.311 31.823 -0.176 0.000 0.713 339 V HN 0.450 nan 8.190 nan 0.000 0.465 340 N N 0.442 119.130 118.700 -0.020 0.000 2.494 340 N HA 0.049 4.789 4.740 -0.000 0.000 0.182 340 N C 1.691 177.206 175.510 0.008 0.000 1.076 340 N CA 1.115 54.166 53.050 0.001 0.000 0.908 340 N CB 0.140 38.623 38.487 -0.007 0.000 0.967 340 N HN 0.490 nan 8.380 nan 0.000 0.449 341 A N 0.228 123.052 122.820 0.006 0.000 1.832 341 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 341 A C 1.217 178.813 177.584 0.020 0.000 1.204 341 A CA 2.312 54.356 52.037 0.012 0.000 0.606 341 A CB -0.424 18.583 19.000 0.011 0.000 0.849 341 A HN 0.380 nan 8.150 nan 0.000 0.445 342 Q N 0.000 119.817 119.800 0.028 0.000 2.315 342 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 342 Q CA 0.000 nan 55.803 nan 0.000 1.022 342 Q CB 0.000 nan 28.738 nan 0.000 1.108 342 Q HN 0.000 nan 8.270 nan 0.000 0.481