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 1ld7_1_A DATA FIRST_RESID 55 DATA SEQUENCE FVSLDSPSYV LYRDRAEWAD IDPVPQNDGP NPVVQIIYSD KFRDVYDYFR DATA SEQUENCE AVLQRDERSE RAFKLTRDAI ELNAANYTVW HFRRVLLKSL QKDLHEEMNY DATA SEQUENCE ITAIIEEQPK NYQVWHHRRV LVEWLRDPSQ ELEFIADILN QDAKNYHAWQ DATA SEQUENCE HRQWVIQEFK LWDNELQYVD QLLKEDVRNN SVWNQRYFVI SNTTGYNDRA DATA SEQUENCE VLEREVQYTL EMIKLVPHNE SAWNYLKGIL QDRGLSKYPN LLNQLLDLQP DATA SEQUENCE SHSSPYLIAF LVDIYEDMLE NQCDNKEDIL NKALELCEIL AKEKDTIRKE DATA SEQUENCE YWRYIGRSLQ SKH 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 55 F HA 0.000 nan 4.527 nan 0.000 0.279 55 F C 0.000 175.813 175.800 0.022 0.000 0.967 55 F CA 0.000 58.010 58.000 0.016 0.000 1.383 55 F CB 0.000 39.007 39.000 0.011 0.000 1.145 56 V N 0.157 120.231 119.914 0.267 0.000 2.588 56 V HA 0.678 4.798 4.120 -0.000 0.000 0.304 56 V C -0.283 175.934 176.094 0.205 0.000 1.042 56 V CA -0.644 61.766 62.300 0.182 0.000 0.877 56 V CB 1.351 33.263 31.823 0.148 0.000 0.996 56 V HN 0.317 nan 8.190 nan 0.000 0.425 57 S N 3.227 119.008 115.700 0.136 0.000 2.614 57 S HA 0.446 4.916 4.470 -0.000 0.000 0.265 57 S C 0.989 175.557 174.600 -0.054 0.000 1.303 57 S CA -0.503 57.731 58.200 0.057 0.000 1.000 57 S CB 0.929 64.141 63.200 0.019 0.000 0.935 57 S HN 0.800 nan 8.310 nan 0.000 0.551 58 L N 1.775 122.837 121.223 -0.270 0.000 2.265 58 L HA -0.089 4.251 4.340 -0.000 0.000 0.215 58 L C 1.115 177.701 176.870 -0.473 0.000 1.117 58 L CA 1.437 55.853 54.840 -0.708 0.000 0.782 58 L CB -0.384 41.407 42.059 -0.447 0.000 0.914 58 L HN 0.700 nan 8.230 nan 0.000 0.441 59 D N -2.043 118.238 120.400 -0.198 0.000 2.379 59 D HA 0.023 4.662 4.640 -0.000 0.000 0.208 59 D C 0.653 176.936 176.300 -0.029 0.000 1.065 59 D CA -0.001 53.940 54.000 -0.098 0.000 0.848 59 D CB 0.300 41.067 40.800 -0.055 0.000 0.949 59 D HN 0.023 nan 8.370 nan 0.000 0.509 60 S N 2.353 118.056 115.700 0.005 0.000 2.560 60 S HA 0.022 4.492 4.470 -0.000 0.000 0.284 60 S C -1.178 173.466 174.600 0.073 0.000 1.327 60 S CA -0.856 57.376 58.200 0.054 0.000 1.055 60 S CB 0.978 64.232 63.200 0.091 0.000 0.868 60 S HN 0.193 nan 8.310 nan 0.000 0.506 61 P HA -0.094 nan 4.420 nan 0.000 0.219 61 P C 0.870 178.202 177.300 0.053 0.000 1.146 61 P CA 1.039 64.166 63.100 0.044 0.000 0.808 61 P CB -0.014 31.701 31.700 0.025 0.000 0.779 62 S N -2.694 113.037 115.700 0.052 0.000 2.597 62 S HA 0.031 4.501 4.470 -0.000 0.000 0.224 62 S C 0.469 175.090 174.600 0.035 0.000 0.955 62 S CA -0.895 57.322 58.200 0.027 0.000 0.933 62 S CB -1.266 61.932 63.200 -0.003 0.000 0.788 62 S HN 0.028 nan 8.310 nan 0.000 0.488 63 Y N 2.113 122.391 120.300 -0.036 0.000 2.610 63 Y HA 0.390 4.940 4.550 -0.000 0.000 0.332 63 Y C -0.393 175.463 175.900 -0.072 0.000 1.201 63 Y CA 0.054 58.122 58.100 -0.053 0.000 1.465 63 Y CB 0.508 38.946 38.460 -0.037 0.000 1.283 63 Y HN 0.094 nan 8.280 nan 0.000 0.563 64 V N 7.712 127.127 119.914 -0.832 0.000 2.604 64 V HA 0.268 4.388 4.120 -0.000 0.000 0.305 64 V C -0.207 175.341 176.094 -0.910 0.000 1.043 64 V CA -1.303 60.626 62.300 -0.618 0.000 0.888 64 V CB 1.725 33.309 31.823 -0.397 0.000 0.995 64 V HN 0.693 nan 8.190 nan 0.000 0.429 65 L N 3.301 124.251 121.223 -0.455 0.000 2.483 65 L HA 0.113 4.452 4.340 -0.000 0.000 0.276 65 L C 1.067 177.680 176.870 -0.429 0.000 1.213 65 L CA 0.099 54.766 54.840 -0.288 0.000 0.843 65 L CB 0.096 42.126 42.059 -0.048 0.000 1.107 65 L HN 0.687 nan 8.230 nan 0.000 0.487 66 Y N 1.317 121.305 120.300 -0.519 0.000 2.274 66 Y HA -0.216 4.334 4.550 -0.000 0.000 0.290 66 Y C 2.425 177.888 175.900 -0.729 0.000 1.145 66 Y CA 1.421 58.990 58.100 -0.885 0.000 1.203 66 Y CB -0.348 37.180 38.460 -1.555 0.000 0.984 66 Y HN 0.544 nan 8.280 nan 0.000 0.533 67 R N -0.334 120.031 120.500 -0.224 0.000 2.328 67 R HA -0.071 4.269 4.340 -0.000 0.000 0.207 67 R C 0.264 176.572 176.300 0.013 0.000 1.056 67 R CA 1.619 57.757 56.100 0.062 0.000 1.016 67 R CB -0.198 30.217 30.300 0.191 0.000 0.872 67 R HN 0.193 nan 8.270 nan 0.000 0.471 68 D N 0.516 120.865 120.400 -0.085 0.000 2.433 68 D HA 0.082 4.722 4.640 -0.000 0.000 0.211 68 D C -0.165 176.086 176.300 -0.082 0.000 1.114 68 D CA 0.031 53.991 54.000 -0.067 0.000 0.837 68 D CB 0.422 41.171 40.800 -0.085 0.000 0.984 68 D HN 0.186 nan 8.370 nan 0.000 0.505 69 R N 0.784 121.217 120.500 -0.111 0.000 2.265 69 R HA 0.462 4.802 4.340 -0.000 0.000 0.314 69 R C 1.024 177.361 176.300 0.062 0.000 1.053 69 R CA -0.207 55.863 56.100 -0.050 0.000 0.931 69 R CB 1.377 31.637 30.300 -0.067 0.000 1.024 69 R HN -0.116 nan 8.270 nan 0.000 0.457 70 A N 3.653 126.492 122.820 0.033 0.000 1.933 70 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 70 A C 1.727 179.336 177.584 0.043 0.000 1.175 70 A CA 1.438 53.497 52.037 0.038 0.000 0.628 70 A CB -0.243 18.763 19.000 0.010 0.000 0.814 70 A HN 0.856 nan 8.150 nan 0.000 0.444 71 E N -1.816 118.403 120.200 0.032 0.000 2.516 71 E HA -0.170 4.180 4.350 -0.000 0.000 0.199 71 E C 0.722 177.220 176.600 -0.170 0.000 1.069 71 E CA 0.578 56.937 56.400 -0.069 0.000 0.876 71 E CB -0.312 29.329 29.700 -0.099 0.000 0.843 71 E HN 0.867 nan 8.360 nan 0.000 0.530 72 W N -0.183 121.116 121.300 -0.000 0.000 2.714 72 W HA 0.506 5.166 4.660 -0.000 0.000 0.353 72 W C 2.026 178.610 176.519 0.108 0.000 0.999 72 W CA 0.152 57.530 57.345 0.054 0.000 1.629 72 W CB 0.626 30.079 29.460 -0.012 0.000 1.106 72 W HN 0.122 nan 8.180 nan 0.000 0.545 73 A N 0.876 123.836 122.820 0.232 0.000 2.070 73 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 73 A C 1.844 179.517 177.584 0.147 0.000 1.159 73 A CA 2.099 54.244 52.037 0.179 0.000 0.656 73 A CB -0.631 18.431 19.000 0.103 0.000 0.800 73 A HN 0.412 nan 8.150 nan 0.000 0.453 74 D N -0.911 119.555 120.400 0.111 0.000 2.317 74 D HA -0.005 4.635 4.640 -0.000 0.000 0.211 74 D C 0.735 177.091 176.300 0.092 0.000 0.966 74 D CA 0.320 54.362 54.000 0.070 0.000 0.876 74 D CB -0.044 40.767 40.800 0.017 0.000 0.927 74 D HN 0.485 nan 8.370 nan 0.000 0.519 75 I N 1.236 121.910 120.570 0.174 0.000 2.441 75 I HA 0.140 4.310 4.170 -0.000 0.000 0.295 75 I C -1.008 175.207 176.117 0.162 0.000 0.994 75 I CA -0.780 60.623 61.300 0.172 0.000 1.144 75 I CB 1.828 39.976 38.000 0.247 0.000 1.314 75 I HN -0.290 nan 8.210 nan 0.000 0.445 76 D N 9.051 129.475 120.400 0.040 0.000 2.256 76 D HA 0.308 4.948 4.640 -0.000 0.000 0.250 76 D C -2.226 173.946 176.300 -0.213 0.000 1.093 76 D CA -0.815 53.157 54.000 -0.047 0.000 0.882 76 D CB 1.274 42.051 40.800 -0.038 0.000 1.185 76 D HN 0.356 nan 8.370 nan 0.000 0.437 77 P HA 0.083 nan 4.420 nan 0.000 0.274 77 P C -0.509 176.599 177.300 -0.319 0.000 1.231 77 P CA -0.412 62.288 63.100 -0.666 0.000 0.790 77 P CB 1.051 32.239 31.700 -0.852 0.000 0.951 78 V N 4.656 124.405 119.914 -0.275 0.000 2.293 78 V HA 0.231 4.351 4.120 -0.000 0.000 0.275 78 V C -1.785 174.241 176.094 -0.115 0.000 1.021 78 V CA -1.910 60.294 62.300 -0.159 0.000 0.815 78 V CB 1.007 32.744 31.823 -0.142 0.000 1.025 78 V HN 0.595 nan 8.190 nan 0.000 0.448 79 P HA 0.043 nan 4.420 nan 0.000 0.270 79 P C -0.563 176.726 177.300 -0.018 0.000 1.223 79 P CA -0.232 62.845 63.100 -0.038 0.000 0.785 79 P CB 0.932 32.620 31.700 -0.019 0.000 0.923 80 Q N 1.757 121.560 119.800 0.005 0.000 2.314 80 Q HA 0.081 4.421 4.340 -0.000 0.000 0.258 80 Q C -0.296 175.723 176.000 0.031 0.000 0.954 80 Q CA -0.302 55.514 55.803 0.022 0.000 0.890 80 Q CB 0.145 28.908 28.738 0.041 0.000 1.210 80 Q HN 0.247 nan 8.270 nan 0.000 0.410 81 N N 3.501 122.215 118.700 0.024 0.000 2.558 81 N HA 0.085 4.825 4.740 -0.000 0.000 0.233 81 N C -0.921 174.607 175.510 0.030 0.000 1.038 81 N CA -0.203 52.861 53.050 0.022 0.000 0.934 81 N CB 0.873 39.366 38.487 0.011 0.000 1.175 81 N HN 0.547 nan 8.380 nan 0.000 0.512 82 D N 2.337 122.760 120.400 0.038 0.000 2.339 82 D HA 0.201 4.841 4.640 -0.000 0.000 0.217 82 D C 0.745 177.058 176.300 0.022 0.000 1.050 82 D CA 0.647 54.669 54.000 0.036 0.000 0.856 82 D CB 0.068 40.896 40.800 0.046 0.000 0.922 82 D HN 0.751 nan 8.370 nan 0.000 0.518 83 G N 1.761 110.572 108.800 0.019 0.000 2.707 83 G HA2 -0.177 3.782 3.960 -0.000 0.000 0.686 83 G HA3 -0.177 3.782 3.960 -0.000 0.000 0.686 83 G C -1.756 173.151 174.900 0.011 0.000 1.315 83 G CA -0.314 44.794 45.100 0.013 0.000 0.832 83 G HN -0.081 nan 8.290 nan 0.000 0.573 84 P HA -0.004 nan 4.420 nan 0.000 0.217 84 P C 0.392 177.695 177.300 0.004 0.000 1.151 84 P CA 1.124 64.228 63.100 0.006 0.000 0.828 84 P CB 0.097 31.800 31.700 0.004 0.000 0.788 85 N N 1.218 119.920 118.700 0.002 0.000 2.918 85 N HA 0.220 4.960 4.740 -0.000 0.000 0.270 85 N C -2.247 173.261 175.510 -0.002 0.000 1.536 85 N CA -1.134 51.916 53.050 -0.001 0.000 0.877 85 N CB 0.397 38.883 38.487 -0.002 0.000 1.190 85 N HN 0.297 nan 8.380 nan 0.000 0.492 86 P HA 0.022 nan 4.420 nan 0.000 0.266 86 P C 0.052 177.344 177.300 -0.013 0.000 1.193 86 P CA -0.043 63.055 63.100 -0.004 0.000 0.770 86 P CB 0.970 32.668 31.700 -0.003 0.000 0.836 87 V N -1.096 118.810 119.914 -0.014 0.000 2.960 87 V HA 0.452 4.572 4.120 -0.000 0.000 0.315 87 V C 0.823 176.899 176.094 -0.030 0.000 1.087 87 V CA -0.663 61.625 62.300 -0.020 0.000 0.982 87 V CB 1.259 33.074 31.823 -0.013 0.000 1.039 87 V HN 0.613 nan 8.190 nan 0.000 0.437 88 V N -1.355 118.535 119.914 -0.039 0.000 4.931 88 V HA -0.254 3.866 4.120 -0.000 0.000 0.254 88 V C 0.311 176.356 176.094 -0.082 0.000 0.620 88 V CA 1.716 63.983 62.300 -0.054 0.000 0.715 88 V CB -2.531 29.269 31.823 -0.038 0.000 0.589 88 V HN 1.512 nan 8.190 nan 0.000 0.982 89 Q N 0.621 120.364 119.800 -0.094 0.000 2.296 89 Q HA 0.590 4.930 4.340 -0.000 0.000 0.263 89 Q C 0.096 175.947 176.000 -0.249 0.000 1.026 89 Q CA -0.584 55.136 55.803 -0.138 0.000 0.912 89 Q CB 0.826 29.507 28.738 -0.095 0.000 1.198 89 Q HN 0.856 nan 8.270 nan 0.000 0.407 90 I N 4.895 125.199 120.570 -0.442 0.000 2.371 90 I HA 0.089 4.259 4.170 -0.000 0.000 0.290 90 I C 0.090 175.708 176.117 -0.831 0.000 1.028 90 I CA -0.648 60.254 61.300 -0.663 0.000 1.345 90 I CB 0.912 38.381 38.000 -0.885 0.000 1.407 90 I HN 0.573 nan 8.210 nan 0.000 0.501 91 I N 7.833 128.116 120.570 -0.479 0.000 2.270 91 I HA 0.077 4.247 4.170 -0.000 0.000 0.300 91 I C 0.116 176.071 176.117 -0.270 0.000 1.186 91 I CA -0.256 60.862 61.300 -0.302 0.000 1.431 91 I CB -1.755 36.149 38.000 -0.160 0.000 1.485 91 I HN 0.386 nan 8.210 nan 0.000 0.650 92 Y N 2.633 122.861 120.300 -0.120 0.000 2.578 92 Y HA 0.050 4.600 4.550 -0.000 0.000 0.339 92 Y C 1.685 177.569 175.900 -0.026 0.000 1.231 92 Y CA -0.112 57.899 58.100 -0.148 0.000 1.461 92 Y CB 0.342 38.770 38.460 -0.055 0.000 1.323 92 Y HN 0.575 nan 8.280 nan 0.000 0.590 93 S N -0.039 115.767 115.700 0.177 0.000 2.600 93 S HA -0.022 4.448 4.470 -0.000 0.000 0.265 93 S C 0.786 175.513 174.600 0.212 0.000 1.325 93 S CA -0.302 57.992 58.200 0.157 0.000 1.002 93 S CB 0.992 64.279 63.200 0.146 0.000 0.921 93 S HN 0.814 nan 8.310 nan 0.000 0.554 94 D N 0.479 120.974 120.400 0.158 0.000 2.144 94 D HA -0.086 4.553 4.640 -0.000 0.000 0.199 94 D C 1.731 178.138 176.300 0.178 0.000 0.984 94 D CA 1.469 55.562 54.000 0.155 0.000 0.834 94 D CB -0.090 40.779 40.800 0.116 0.000 0.955 94 D HN 0.634 nan 8.370 nan 0.000 0.465 95 K N -0.870 119.638 120.400 0.179 0.000 2.097 95 K HA -0.108 4.212 4.320 -0.000 0.000 0.205 95 K C 2.115 178.827 176.600 0.187 0.000 1.050 95 K CA 0.649 57.045 56.287 0.181 0.000 0.938 95 K CB -0.305 32.270 32.500 0.123 0.000 0.718 95 K HN 0.211 nan 8.250 nan 0.000 0.442 96 F N 2.103 122.107 119.950 0.089 0.000 2.075 96 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 96 F C 2.665 178.514 175.800 0.080 0.000 1.113 96 F CA 1.473 59.533 58.000 0.100 0.000 1.218 96 F CB -0.040 39.023 39.000 0.106 0.000 0.984 96 F HN -0.137 nan 8.300 nan 0.000 0.472 97 R N 0.306 121.008 120.500 0.337 0.000 2.091 97 R HA -0.228 4.112 4.340 -0.000 0.000 0.238 97 R C 2.030 178.390 176.300 0.099 0.000 1.136 97 R CA 2.143 58.333 56.100 0.151 0.000 0.959 97 R CB -0.771 29.626 30.300 0.161 0.000 0.856 97 R HN 0.445 nan 8.270 nan 0.000 0.437 98 D N -0.464 120.011 120.400 0.125 0.000 2.092 98 D HA -0.162 4.478 4.640 -0.000 0.000 0.193 98 D C 1.844 178.183 176.300 0.065 0.000 0.994 98 D CA 1.820 55.904 54.000 0.139 0.000 0.828 98 D CB 0.007 40.902 40.800 0.159 0.000 0.963 98 D HN 0.091 nan 8.370 nan 0.000 0.450 99 V N -0.370 119.496 119.914 -0.080 0.000 2.287 99 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 99 V C 2.076 177.894 176.094 -0.461 0.000 1.053 99 V CA 1.809 63.873 62.300 -0.392 0.000 1.027 99 V CB -0.804 30.737 31.823 -0.469 0.000 0.646 99 V HN 0.336 nan 8.190 nan 0.000 0.447 100 Y N 0.133 120.253 120.300 -0.300 0.000 2.352 100 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 100 Y C 2.392 178.221 175.900 -0.118 0.000 1.136 100 Y CA 1.419 59.385 58.100 -0.224 0.000 1.227 100 Y CB -0.283 37.976 38.460 -0.336 0.000 0.991 100 Y HN 0.308 nan 8.280 nan 0.000 0.545 101 D N -1.273 119.117 120.400 -0.017 0.000 2.178 101 D HA -0.178 4.462 4.640 -0.000 0.000 0.202 101 D C 1.614 177.759 176.300 -0.258 0.000 0.974 101 D CA 1.436 55.371 54.000 -0.107 0.000 0.841 101 D CB -0.311 40.425 40.800 -0.106 0.000 0.953 101 D HN 0.354 nan 8.370 nan 0.000 0.478 102 Y N -0.818 119.334 120.300 -0.246 0.000 2.365 102 Y HA -0.011 4.539 4.550 -0.000 0.000 0.293 102 Y C 1.993 177.718 175.900 -0.291 0.000 1.119 102 Y CA 0.235 58.142 58.100 -0.322 0.000 1.203 102 Y CB -0.342 37.725 38.460 -0.654 0.000 1.026 102 Y HN -0.083 nan 8.280 nan 0.000 0.549 103 F N 1.056 120.805 119.950 -0.335 0.000 2.134 103 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 103 F C 2.215 177.861 175.800 -0.256 0.000 1.097 103 F CA 1.526 59.321 58.000 -0.342 0.000 1.264 103 F CB -0.303 38.391 39.000 -0.510 0.000 1.001 103 F HN -0.178 nan 8.300 nan 0.000 0.479 104 R N 0.087 120.434 120.500 -0.255 0.000 2.096 104 R HA -0.130 4.210 4.340 -0.000 0.000 0.235 104 R C 2.465 178.569 176.300 -0.327 0.000 1.127 104 R CA 1.162 57.082 56.100 -0.301 0.000 0.968 104 R CB -0.788 29.442 30.300 -0.116 0.000 0.861 104 R HN 0.420 nan 8.270 nan 0.000 0.440 105 A N 0.518 123.181 122.820 -0.262 0.000 1.873 105 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 105 A C 2.323 179.804 177.584 -0.172 0.000 1.186 105 A CA 1.362 53.285 52.037 -0.191 0.000 0.616 105 A CB -0.525 18.377 19.000 -0.164 0.000 0.823 105 A HN 0.116 nan 8.150 nan 0.000 0.442 106 V N -0.330 119.477 119.914 -0.179 0.000 2.343 106 V HA -0.214 3.906 4.120 -0.000 0.000 0.247 106 V C 2.490 178.347 176.094 -0.396 0.000 1.051 106 V CA 1.891 64.107 62.300 -0.140 0.000 1.036 106 V CB -0.780 31.052 31.823 0.014 0.000 0.654 106 V HN 0.563 nan 8.190 nan 0.000 0.451 107 L N 0.188 120.931 121.223 -0.799 0.000 1.994 107 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 107 L C 2.583 179.181 176.870 -0.453 0.000 1.071 107 L CA 2.402 56.660 54.840 -0.970 0.000 0.745 107 L CB -0.812 40.560 42.059 -1.145 0.000 0.892 107 L HN 0.430 nan 8.230 nan 0.000 0.431 108 Q N -0.823 118.779 119.800 -0.331 0.000 2.226 108 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 108 Q C 2.222 178.152 176.000 -0.117 0.000 0.975 108 Q CA 1.637 57.332 55.803 -0.181 0.000 0.866 108 Q CB -0.064 28.584 28.738 -0.150 0.000 0.915 108 Q HN 0.447 nan 8.270 nan 0.000 0.440 109 R N 0.117 120.547 120.500 -0.116 0.000 2.300 109 R HA -0.034 4.306 4.340 -0.000 0.000 0.199 109 R C -0.216 176.080 176.300 -0.006 0.000 0.920 109 R CA 0.692 56.764 56.100 -0.048 0.000 1.046 109 R CB 0.332 30.614 30.300 -0.029 0.000 0.984 109 R HN 0.271 nan 8.270 nan 0.000 0.493 110 D N 1.424 121.814 120.400 -0.016 0.000 2.701 110 D HA -0.236 4.404 4.640 -0.000 0.000 0.235 110 D C -0.855 175.555 176.300 0.184 0.000 1.155 110 D CA 0.781 54.853 54.000 0.120 0.000 0.649 110 D CB -0.709 40.152 40.800 0.103 0.000 1.050 110 D HN 0.436 nan 8.370 nan 0.000 0.425 111 E N 0.749 121.066 120.200 0.196 0.000 2.166 111 E HA 0.047 4.397 4.350 -0.000 0.000 0.279 111 E C -0.106 176.614 176.600 0.201 0.000 1.095 111 E CA -0.548 55.947 56.400 0.159 0.000 0.888 111 E CB 0.405 30.174 29.700 0.114 0.000 1.041 111 E HN 0.097 nan 8.360 nan 0.000 0.414 112 R N 3.303 123.851 120.500 0.079 0.000 2.870 112 R HA 0.149 4.489 4.340 -0.000 0.000 0.254 112 R C -0.446 175.838 176.300 -0.027 0.000 1.392 112 R CA -0.201 55.890 56.100 -0.016 0.000 1.322 112 R CB -0.144 30.123 30.300 -0.054 0.000 1.205 112 R HN 0.449 nan 8.270 nan 0.000 0.597 113 S N -1.293 114.410 115.700 0.004 0.000 2.632 113 S HA 0.265 4.735 4.470 -0.000 0.000 0.289 113 S C 0.865 175.473 174.600 0.014 0.000 1.115 113 S CA -0.861 57.328 58.200 -0.018 0.000 0.889 113 S CB 2.406 65.581 63.200 -0.040 0.000 1.116 113 S HN 0.282 nan 8.310 nan 0.000 0.486 114 E N 1.401 121.589 120.200 -0.020 0.000 2.106 114 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 114 E C 2.099 178.744 176.600 0.075 0.000 0.984 114 E CA 1.914 58.326 56.400 0.019 0.000 0.806 114 E CB -0.240 29.433 29.700 -0.046 0.000 0.750 114 E HN 0.743 nan 8.360 nan 0.000 0.458 115 R N 0.010 120.512 120.500 0.004 0.000 2.092 115 R HA 0.062 4.402 4.340 -0.000 0.000 0.231 115 R C 2.272 178.767 176.300 0.325 0.000 1.119 115 R CA 1.335 57.472 56.100 0.062 0.000 0.970 115 R CB -0.601 29.501 30.300 -0.330 0.000 0.864 115 R HN 0.131 nan 8.270 nan 0.000 0.440 116 A N 1.059 124.036 122.820 0.262 0.000 1.930 116 A HA -0.115 4.205 4.320 -0.000 0.000 0.217 116 A C 1.988 179.751 177.584 0.298 0.000 1.175 116 A CA 1.000 53.272 52.037 0.391 0.000 0.627 116 A CB -0.692 18.529 19.000 0.369 0.000 0.815 116 A HN 0.462 nan 8.150 nan 0.000 0.443 117 F N 0.997 120.979 119.950 0.053 0.000 2.095 117 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 117 F C 2.131 177.899 175.800 -0.053 0.000 1.104 117 F CA 2.125 60.103 58.000 -0.036 0.000 1.232 117 F CB -0.203 38.743 39.000 -0.091 0.000 0.987 117 F HN 0.121 nan 8.300 nan 0.000 0.475 118 K N -0.192 120.156 120.400 -0.087 0.000 2.097 118 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 118 K C 1.986 178.511 176.600 -0.125 0.000 1.050 118 K CA 1.384 57.550 56.287 -0.201 0.000 0.938 118 K CB -0.639 31.813 32.500 -0.081 0.000 0.718 118 K HN 0.291 nan 8.250 nan 0.000 0.442 119 L N 1.760 123.002 121.223 0.032 0.000 2.083 119 L HA -0.182 4.158 4.340 -0.000 0.000 0.209 119 L C 2.360 179.086 176.870 -0.241 0.000 1.083 119 L CA 2.202 56.992 54.840 -0.084 0.000 0.752 119 L CB -1.049 40.953 42.059 -0.095 0.000 0.899 119 L HN 0.297 nan 8.230 nan 0.000 0.433 120 T N -2.800 111.624 114.554 -0.217 0.000 2.881 120 T HA -0.265 4.085 4.350 -0.000 0.000 0.270 120 T C 2.071 176.481 174.700 -0.484 0.000 1.068 120 T CA 1.337 63.231 62.100 -0.344 0.000 1.131 120 T CB -0.611 68.106 68.868 -0.252 0.000 0.871 120 T HN 0.505 nan 8.240 nan 0.000 0.479 121 R N 1.150 121.368 120.500 -0.471 0.000 2.092 121 R HA -0.116 4.224 4.340 -0.000 0.000 0.231 121 R C 1.673 177.812 176.300 -0.269 0.000 1.119 121 R CA 1.821 57.676 56.100 -0.407 0.000 0.970 121 R CB -0.350 29.692 30.300 -0.431 0.000 0.864 121 R HN 0.361 nan 8.270 nan 0.000 0.440 122 D N 0.371 120.626 120.400 -0.241 0.000 2.123 122 D HA -0.058 4.582 4.640 -0.000 0.000 0.200 122 D C 1.769 177.876 176.300 -0.321 0.000 0.976 122 D CA 1.367 55.252 54.000 -0.191 0.000 0.831 122 D CB -0.213 40.552 40.800 -0.058 0.000 0.974 122 D HN 0.365 nan 8.370 nan 0.000 0.469 123 A N 0.926 123.442 122.820 -0.506 0.000 1.902 123 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 123 A C 2.354 179.669 177.584 -0.448 0.000 1.181 123 A CA 0.913 52.509 52.037 -0.734 0.000 0.623 123 A CB -0.726 17.606 19.000 -1.113 0.000 0.818 123 A HN 0.187 nan 8.150 nan 0.000 0.443 124 I N -0.807 119.490 120.570 -0.455 0.000 2.252 124 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 124 I C 2.556 178.580 176.117 -0.155 0.000 1.102 124 I CA 1.708 62.776 61.300 -0.386 0.000 1.385 124 I CB -0.285 37.354 38.000 -0.601 0.000 1.064 124 I HN 0.522 nan 8.210 nan 0.000 0.414 125 E N 1.232 121.351 120.200 -0.135 0.000 2.110 125 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 125 E C 2.340 178.931 176.600 -0.015 0.000 0.988 125 E CA 1.032 57.400 56.400 -0.055 0.000 0.804 125 E CB 0.040 29.702 29.700 -0.063 0.000 0.745 125 E HN 0.460 nan 8.360 nan 0.000 0.458 126 L N 0.064 121.262 121.223 -0.041 0.000 2.093 126 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 126 L C 0.867 177.866 176.870 0.214 0.000 1.085 126 L CA 0.608 55.488 54.840 0.067 0.000 0.755 126 L CB 0.034 42.018 42.059 -0.126 0.000 0.904 126 L HN 0.099 nan 8.230 nan 0.000 0.435 127 N N -1.054 117.722 118.700 0.126 0.000 2.793 127 N HA 0.212 4.952 4.740 -0.000 0.000 0.251 127 N C 0.086 175.664 175.510 0.115 0.000 1.308 127 N CA 0.207 53.357 53.050 0.167 0.000 0.781 127 N CB 1.184 39.799 38.487 0.213 0.000 1.439 127 N HN 0.006 nan 8.380 nan 0.000 0.562 128 A N 1.948 124.860 122.820 0.152 0.000 2.172 128 A HA 0.205 4.525 4.320 -0.000 0.000 0.216 128 A C 1.668 179.503 177.584 0.418 0.000 1.154 128 A CA 1.377 53.582 52.037 0.280 0.000 0.701 128 A CB -0.197 18.958 19.000 0.259 0.000 0.789 128 A HN 0.650 nan 8.150 nan 0.000 0.465 129 A N -0.373 122.610 122.820 0.272 0.000 2.275 129 A HA 0.098 4.418 4.320 -0.000 0.000 0.212 129 A C 0.959 178.713 177.584 0.282 0.000 1.201 129 A CA -0.141 52.061 52.037 0.275 0.000 0.843 129 A CB -0.339 18.784 19.000 0.205 0.000 0.873 129 A HN 0.394 nan 8.150 nan 0.000 0.492 130 N N 1.007 119.827 118.700 0.201 0.000 2.421 130 N HA 0.067 4.807 4.740 -0.000 0.000 0.260 130 N C 0.665 176.246 175.510 0.120 0.000 1.173 130 N CA -0.192 52.870 53.050 0.019 0.000 0.960 130 N CB 0.172 38.611 38.487 -0.079 0.000 1.273 130 N HN 0.533 nan 8.380 nan 0.000 0.497 131 Y N 1.867 122.337 120.300 0.284 0.000 2.421 131 Y HA -0.005 4.545 4.550 -0.000 0.000 0.292 131 Y C 1.809 177.912 175.900 0.338 0.000 1.136 131 Y CA 0.606 58.911 58.100 0.341 0.000 1.255 131 Y CB -0.725 37.853 38.460 0.196 0.000 0.991 131 Y HN 0.204 nan 8.280 nan 0.000 0.552 132 T N 0.468 114.863 114.554 -0.264 0.000 2.777 132 T HA -0.132 4.218 4.350 -0.000 0.000 0.266 132 T C 2.040 176.914 174.700 0.289 0.000 1.040 132 T CA 1.667 63.816 62.100 0.082 0.000 1.141 132 T CB -0.593 68.258 68.868 -0.028 0.000 0.868 132 T HN 0.287 nan 8.240 nan 0.000 0.444 133 V N -0.195 119.724 119.914 0.008 0.000 2.343 133 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 133 V C 2.069 178.189 176.094 0.044 0.000 1.051 133 V CA 1.392 63.580 62.300 -0.187 0.000 1.036 133 V CB -0.729 30.660 31.823 -0.723 0.000 0.654 133 V HN 0.597 nan 8.190 nan 0.000 0.451 134 W N -0.366 120.995 121.300 0.102 0.000 2.358 134 W HA -0.202 4.458 4.660 -0.000 0.000 0.303 134 W C 2.662 179.336 176.519 0.258 0.000 1.208 134 W CA 1.786 59.205 57.345 0.122 0.000 1.274 134 W CB -0.498 29.039 29.460 0.129 0.000 1.138 134 W HN 0.383 nan 8.180 nan 0.000 0.515 135 H N -1.278 118.090 119.070 0.496 0.000 2.321 135 H HA -0.249 4.307 4.556 -0.000 0.000 0.300 135 H C 1.970 177.555 175.328 0.428 0.000 1.087 135 H CA 2.206 58.516 56.048 0.437 0.000 1.319 135 H CB -0.783 29.218 29.762 0.398 0.000 1.379 135 H HN 0.089 nan 8.280 nan 0.000 0.501 136 F N 1.268 121.349 119.950 0.219 0.000 2.134 136 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 136 F C 2.796 178.684 175.800 0.147 0.000 1.097 136 F CA 1.723 59.811 58.000 0.148 0.000 1.264 136 F CB -0.440 38.735 39.000 0.291 0.000 1.001 136 F HN 0.100 nan 8.300 nan 0.000 0.479 137 R N 0.079 120.696 120.500 0.195 0.000 2.105 137 R HA -0.192 4.147 4.340 -0.000 0.000 0.239 137 R C 2.499 178.935 176.300 0.227 0.000 1.135 137 R CA 1.592 57.777 56.100 0.142 0.000 0.967 137 R CB -0.307 30.028 30.300 0.058 0.000 0.861 137 R HN 0.225 nan 8.270 nan 0.000 0.442 138 R N -0.301 120.366 120.500 0.277 0.000 2.081 138 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 138 R C 2.189 178.611 176.300 0.204 0.000 1.131 138 R CA 1.492 57.806 56.100 0.357 0.000 0.960 138 R CB -0.118 30.382 30.300 0.333 0.000 0.856 138 R HN 0.102 nan 8.270 nan 0.000 0.436 139 V N 1.133 121.021 119.914 -0.043 0.000 2.407 139 V HA -0.244 3.875 4.120 -0.000 0.000 0.248 139 V C 2.181 178.168 176.094 -0.178 0.000 1.055 139 V CA 1.603 63.823 62.300 -0.134 0.000 1.049 139 V CB -0.316 31.372 31.823 -0.225 0.000 0.662 139 V HN 0.339 nan 8.190 nan 0.000 0.455 140 L N -1.101 119.974 121.223 -0.246 0.000 2.109 140 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 140 L C 2.377 179.132 176.870 -0.191 0.000 1.086 140 L CA 1.145 55.844 54.840 -0.234 0.000 0.760 140 L CB -0.474 41.485 42.059 -0.168 0.000 0.910 140 L HN 0.286 nan 8.230 nan 0.000 0.437 141 L N 0.050 121.241 121.223 -0.052 0.000 2.043 141 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 141 L C 2.745 179.520 176.870 -0.159 0.000 1.075 141 L CA 1.582 56.381 54.840 -0.067 0.000 0.752 141 L CB -0.385 41.835 42.059 0.267 0.000 0.891 141 L HN 0.281 nan 8.230 nan 0.000 0.432 142 K N -0.626 119.675 120.400 -0.166 0.000 2.044 142 K HA -0.105 4.215 4.320 -0.000 0.000 0.204 142 K C 2.267 178.741 176.600 -0.210 0.000 1.049 142 K CA 1.360 57.485 56.287 -0.270 0.000 0.945 142 K CB 0.100 32.423 32.500 -0.296 0.000 0.724 142 K HN 0.110 nan 8.250 nan 0.000 0.440 143 S N 1.419 117.013 115.700 -0.176 0.000 2.359 143 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 143 S C 1.681 176.183 174.600 -0.164 0.000 1.035 143 S CA 1.249 59.357 58.200 -0.153 0.000 1.018 143 S CB -0.169 62.946 63.200 -0.142 0.000 0.876 143 S HN 0.286 nan 8.310 nan 0.000 0.448 144 L N 1.009 122.107 121.223 -0.209 0.000 2.591 144 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 144 L C 0.245 176.985 176.870 -0.216 0.000 1.133 144 L CA 0.125 54.832 54.840 -0.222 0.000 0.880 144 L CB -0.560 41.312 42.059 -0.311 0.000 1.033 144 L HN 0.295 nan 8.230 nan 0.000 0.450 145 Q N 0.350 120.026 119.800 -0.207 0.000 2.451 145 Q HA -0.167 4.173 4.340 -0.000 0.000 0.305 145 Q C -0.364 175.526 176.000 -0.182 0.000 1.345 145 Q CA 0.468 56.160 55.803 -0.184 0.000 0.854 145 Q CB -1.092 27.560 28.738 -0.142 0.000 1.162 145 Q HN 0.348 nan 8.270 nan 0.000 0.440 146 K N 1.410 121.669 120.400 -0.235 0.000 2.380 146 K HA 0.036 4.356 4.320 -0.000 0.000 0.267 146 K C 0.278 176.810 176.600 -0.114 0.000 0.990 146 K CA -0.112 56.035 56.287 -0.233 0.000 0.946 146 K CB 0.353 32.617 32.500 -0.394 0.000 0.937 146 K HN 0.185 nan 8.250 nan 0.000 0.491 147 D N 2.994 123.355 120.400 -0.065 0.000 2.346 147 D HA -0.015 4.624 4.640 -0.000 0.000 0.260 147 D C 1.035 177.342 176.300 0.013 0.000 1.252 147 D CA -0.003 53.991 54.000 -0.009 0.000 0.895 147 D CB 0.593 41.413 40.800 0.033 0.000 1.097 147 D HN 0.329 nan 8.370 nan 0.000 0.489 148 L N 3.900 125.103 121.223 -0.035 0.000 2.201 148 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 148 L C 2.110 178.933 176.870 -0.079 0.000 1.105 148 L CA 0.625 55.442 54.840 -0.039 0.000 0.775 148 L CB -0.441 41.578 42.059 -0.065 0.000 0.913 148 L HN 0.543 nan 8.230 nan 0.000 0.440 149 H N -0.524 118.580 119.070 0.057 0.000 2.457 149 H HA -0.129 4.427 4.556 -0.000 0.000 0.294 149 H C 2.085 177.444 175.328 0.051 0.000 1.064 149 H CA 1.158 57.229 56.048 0.039 0.000 1.330 149 H CB 0.225 30.001 29.762 0.024 0.000 1.395 149 H HN 0.309 nan 8.280 nan 0.000 0.541 150 E N 1.079 121.376 120.200 0.161 0.000 2.072 150 E HA -0.138 4.211 4.350 -0.000 0.000 0.190 150 E C 2.229 178.930 176.600 0.167 0.000 0.982 150 E CA 0.955 57.439 56.400 0.140 0.000 0.803 150 E CB 0.145 29.914 29.700 0.115 0.000 0.755 150 E HN 0.282 nan 8.360 nan 0.000 0.453 151 E N -0.571 119.736 120.200 0.179 0.000 2.153 151 E HA -0.141 4.208 4.350 -0.000 0.000 0.194 151 E C 1.776 178.512 176.600 0.228 0.000 0.988 151 E CA 1.107 57.668 56.400 0.268 0.000 0.811 151 E CB -0.101 29.770 29.700 0.285 0.000 0.746 151 E HN 0.205 nan 8.360 nan 0.000 0.466 152 M N 0.587 120.251 119.600 0.107 0.000 2.159 152 M HA -0.119 4.361 4.480 -0.000 0.000 0.263 152 M C 1.531 177.817 176.300 -0.023 0.000 1.063 152 M CA 1.179 56.483 55.300 0.007 0.000 1.110 152 M CB -0.894 31.706 32.600 -0.000 0.000 1.374 152 M HN 0.174 nan 8.290 nan 0.000 0.411 153 N N -0.468 118.263 118.700 0.050 0.000 2.244 153 N HA -0.178 4.562 4.740 -0.000 0.000 0.183 153 N C 1.636 177.182 175.510 0.060 0.000 1.016 153 N CA 1.038 54.108 53.050 0.033 0.000 0.866 153 N CB -0.572 37.959 38.487 0.072 0.000 0.980 153 N HN 0.418 nan 8.380 nan 0.000 0.430 154 Y N 1.446 121.749 120.300 0.006 0.000 2.133 154 Y HA -0.074 4.476 4.550 -0.000 0.000 0.287 154 Y C 2.253 178.149 175.900 -0.006 0.000 1.134 154 Y CA 0.932 59.043 58.100 0.017 0.000 1.133 154 Y CB -0.628 37.867 38.460 0.059 0.000 0.987 154 Y HN -0.112 nan 8.280 nan 0.000 0.502 155 I N 0.236 120.701 120.570 -0.175 0.000 2.361 155 I HA -0.250 3.920 4.170 -0.000 0.000 0.251 155 I C 2.134 177.995 176.117 -0.426 0.000 1.133 155 I CA 1.944 63.047 61.300 -0.329 0.000 1.413 155 I CB -0.819 37.102 38.000 -0.131 0.000 1.073 155 I HN 0.328 nan 8.210 nan 0.000 0.424 156 T N 0.572 114.884 114.554 -0.403 0.000 2.708 156 T HA -0.156 4.194 4.350 -0.000 0.000 0.266 156 T C 1.965 176.547 174.700 -0.197 0.000 1.037 156 T CA 1.551 63.360 62.100 -0.485 0.000 1.146 156 T CB -0.544 68.099 68.868 -0.376 0.000 0.865 156 T HN 0.498 nan 8.240 nan 0.000 0.435 157 A N 1.433 124.156 122.820 -0.161 0.000 1.898 157 A HA -0.021 4.299 4.320 -0.000 0.000 0.216 157 A C 2.224 179.721 177.584 -0.145 0.000 1.181 157 A CA 1.005 52.983 52.037 -0.098 0.000 0.620 157 A CB -0.607 18.357 19.000 -0.060 0.000 0.819 157 A HN 0.372 nan 8.150 nan 0.000 0.442 158 I N 0.211 120.611 120.570 -0.283 0.000 2.163 158 I HA -0.240 3.930 4.170 -0.000 0.000 0.243 158 I C 2.444 178.443 176.117 -0.196 0.000 1.085 158 I CA 1.353 62.495 61.300 -0.264 0.000 1.347 158 I CB -1.270 36.496 38.000 -0.391 0.000 1.044 158 I HN 0.305 nan 8.210 nan 0.000 0.408 159 I N 0.465 120.876 120.570 -0.265 0.000 2.286 159 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 159 I C 2.490 178.544 176.117 -0.106 0.000 1.115 159 I CA 1.081 62.207 61.300 -0.290 0.000 1.392 159 I CB -0.364 37.348 38.000 -0.481 0.000 1.065 159 I HN 0.247 nan 8.210 nan 0.000 0.418 160 E N 0.819 121.005 120.200 -0.023 0.000 2.118 160 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 160 E C 2.004 178.599 176.600 -0.009 0.000 0.992 160 E CA 1.368 57.772 56.400 0.006 0.000 0.804 160 E CB -0.133 29.587 29.700 0.034 0.000 0.741 160 E HN 0.607 nan 8.360 nan 0.000 0.458 161 E N 0.195 120.380 120.200 -0.025 0.000 2.112 161 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 161 E C 0.459 177.059 176.600 0.001 0.000 0.979 161 E CA 0.534 56.927 56.400 -0.011 0.000 0.814 161 E CB 0.258 29.948 29.700 -0.017 0.000 0.762 161 E HN 0.159 nan 8.360 nan 0.000 0.460 162 Q N 0.314 120.106 119.800 -0.014 0.000 3.300 162 Q HA 0.135 4.475 4.340 -0.000 0.000 0.271 162 Q C -2.191 173.814 176.000 0.007 0.000 0.926 162 Q CA -1.200 54.609 55.803 0.010 0.000 0.788 162 Q CB 1.468 30.217 28.738 0.018 0.000 1.385 162 Q HN 0.121 nan 8.270 nan 0.000 0.424 163 P HA -0.097 nan 4.420 nan 0.000 0.237 163 P C 0.285 177.797 177.300 0.353 0.000 1.178 163 P CA 0.761 63.984 63.100 0.205 0.000 0.766 163 P CB 0.364 32.176 31.700 0.188 0.000 0.876 164 K N -0.299 120.210 120.400 0.183 0.000 2.440 164 K HA 0.120 4.440 4.320 -0.000 0.000 0.206 164 K C 0.628 177.203 176.600 -0.041 0.000 1.025 164 K CA -0.300 56.079 56.287 0.153 0.000 1.135 164 K CB 0.152 32.745 32.500 0.155 0.000 0.856 164 K HN 0.035 nan 8.250 nan 0.000 0.502 165 N N 0.375 119.045 118.700 -0.049 0.000 2.455 165 N HA 0.044 4.783 4.740 -0.000 0.000 0.280 165 N C 0.402 175.807 175.510 -0.175 0.000 1.055 165 N CA 0.003 53.020 53.050 -0.054 0.000 0.961 165 N CB 0.697 39.193 38.487 0.014 0.000 1.121 165 N HN -0.022 nan 8.380 nan 0.000 0.476 166 Y N 2.384 122.576 120.300 -0.181 0.000 2.200 166 Y HA -0.167 4.383 4.550 -0.000 0.000 0.290 166 Y C 2.141 177.997 175.900 -0.074 0.000 1.137 166 Y CA 1.394 59.413 58.100 -0.136 0.000 1.163 166 Y CB 0.150 38.599 38.460 -0.020 0.000 0.988 166 Y HN 0.583 nan 8.280 nan 0.000 0.518 167 Q N -0.236 119.582 119.800 0.030 0.000 2.084 167 Q HA -0.155 4.184 4.340 -0.000 0.000 0.202 167 Q C 2.538 178.174 176.000 -0.607 0.000 0.978 167 Q CA 2.018 57.666 55.803 -0.258 0.000 0.844 167 Q CB -0.906 27.612 28.738 -0.366 0.000 0.898 167 Q HN 0.549 nan 8.270 nan 0.000 0.426 168 V N -3.033 116.538 119.914 -0.572 0.000 2.407 168 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 168 V C 1.633 177.424 176.094 -0.505 0.000 1.055 168 V CA 1.544 63.427 62.300 -0.695 0.000 1.049 168 V CB -1.072 30.446 31.823 -0.508 0.000 0.662 168 V HN 0.363 nan 8.190 nan 0.000 0.455 169 W N -0.019 121.114 121.300 -0.278 0.000 2.388 169 W HA -0.018 4.642 4.660 -0.000 0.000 0.294 169 W C 2.770 179.186 176.519 -0.173 0.000 1.212 169 W CA 1.587 58.799 57.345 -0.220 0.000 1.271 169 W CB -0.524 28.852 29.460 -0.139 0.000 1.126 169 W HN 0.369 nan 8.180 nan 0.000 0.535 170 H N -1.380 117.690 119.070 -0.000 0.000 2.389 170 H HA -0.200 4.356 4.556 -0.000 0.000 0.299 170 H C 2.013 177.245 175.328 -0.159 0.000 1.081 170 H CA 2.065 58.074 56.048 -0.066 0.000 1.345 170 H CB -0.142 29.592 29.762 -0.047 0.000 1.393 170 H HN 0.205 nan 8.280 nan 0.000 0.520 171 H N 0.878 119.705 119.070 -0.406 0.000 2.353 171 H HA -0.074 4.482 4.556 -0.000 0.000 0.300 171 H C 2.712 177.804 175.328 -0.393 0.000 1.090 171 H CA 1.960 57.744 56.048 -0.440 0.000 1.327 171 H CB -0.105 29.335 29.762 -0.537 0.000 1.383 171 H HN 0.181 nan 8.280 nan 0.000 0.508 172 R N 0.249 120.554 120.500 -0.325 0.000 2.081 172 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 172 R C 2.545 178.732 176.300 -0.188 0.000 1.131 172 R CA 1.563 57.484 56.100 -0.298 0.000 0.960 172 R CB -0.157 29.923 30.300 -0.367 0.000 0.856 172 R HN 0.328 nan 8.270 nan 0.000 0.436 173 R N 0.128 120.533 120.500 -0.158 0.000 2.073 173 R HA -0.109 4.231 4.340 -0.000 0.000 0.234 173 R C 2.017 178.091 176.300 -0.376 0.000 1.134 173 R CA 1.776 57.757 56.100 -0.198 0.000 0.952 173 R CB -0.317 29.693 30.300 -0.484 0.000 0.850 173 R HN 0.114 nan 8.270 nan 0.000 0.433 174 V N 1.645 121.183 119.914 -0.627 0.000 2.332 174 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 174 V C 2.437 178.040 176.094 -0.818 0.000 1.055 174 V CA 1.905 63.718 62.300 -0.811 0.000 1.038 174 V CB -0.453 30.737 31.823 -1.055 0.000 0.651 174 V HN 0.355 nan 8.190 nan 0.000 0.450 175 L N -0.500 120.336 121.223 -0.645 0.000 2.017 175 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 175 L C 2.488 179.315 176.870 -0.071 0.000 1.073 175 L CA 1.268 55.900 54.840 -0.346 0.000 0.745 175 L CB -0.776 41.119 42.059 -0.273 0.000 0.894 175 L HN 0.206 nan 8.230 nan 0.000 0.432 176 V N -0.160 119.758 119.914 0.006 0.000 2.407 176 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 176 V C 2.365 178.644 176.094 0.308 0.000 1.055 176 V CA 1.728 64.129 62.300 0.169 0.000 1.049 176 V CB -0.486 31.531 31.823 0.324 0.000 0.662 176 V HN 0.453 nan 8.190 nan 0.000 0.455 177 E N -1.093 119.287 120.200 0.300 0.000 2.072 177 E HA -0.214 4.136 4.350 -0.000 0.000 0.191 177 E C 2.129 178.937 176.600 0.347 0.000 0.985 177 E CA 1.458 58.068 56.400 0.350 0.000 0.801 177 E CB -0.156 29.664 29.700 0.199 0.000 0.750 177 E HN 0.645 nan 8.360 nan 0.000 0.452 178 W N 0.711 122.059 121.300 0.080 0.000 2.381 178 W HA -0.060 4.600 4.660 -0.000 0.000 0.301 178 W C 1.969 178.503 176.519 0.026 0.000 1.205 178 W CA 0.687 58.051 57.345 0.030 0.000 1.285 178 W CB -0.772 28.673 29.460 -0.024 0.000 1.133 178 W HN 0.103 nan 8.180 nan 0.000 0.521 179 L N -0.363 121.015 121.223 0.258 0.000 2.270 179 L HA 0.034 4.373 4.340 -0.000 0.000 0.210 179 L C 1.297 178.260 176.870 0.156 0.000 1.104 179 L CA 0.518 55.436 54.840 0.129 0.000 0.804 179 L CB -0.451 41.625 42.059 0.028 0.000 0.937 179 L HN -0.148 nan 8.230 nan 0.000 0.450 180 R N 0.874 121.515 120.500 0.235 0.000 3.651 180 R HA -0.193 4.147 4.340 -0.000 0.000 0.292 180 R C -0.483 175.923 176.300 0.175 0.000 1.161 180 R CA 0.787 57.078 56.100 0.319 0.000 0.787 180 R CB -2.178 28.271 30.300 0.248 0.000 1.249 180 R HN 0.404 nan 8.270 nan 0.000 0.476 181 D N -0.077 120.329 120.400 0.010 0.000 2.469 181 D HA 0.313 4.953 4.640 -0.000 0.000 0.251 181 D C -1.733 174.380 176.300 -0.311 0.000 1.173 181 D CA -1.863 52.067 54.000 -0.116 0.000 0.882 181 D CB 1.276 42.095 40.800 0.032 0.000 1.129 181 D HN -0.059 nan 8.370 nan 0.000 0.549 182 P HA 0.080 nan 4.420 nan 0.000 0.272 182 P C 0.759 177.877 177.300 -0.302 0.000 1.408 182 P CA -0.064 62.667 63.100 -0.615 0.000 0.996 182 P CB 0.333 31.281 31.700 -1.253 0.000 1.481 183 S N 0.045 115.626 115.700 -0.197 0.000 2.419 183 S HA -0.194 4.276 4.470 -0.000 0.000 0.235 183 S C 1.821 176.379 174.600 -0.071 0.000 1.019 183 S CA 1.081 59.214 58.200 -0.112 0.000 0.982 183 S CB -0.861 62.295 63.200 -0.073 0.000 0.789 183 S HN 0.247 nan 8.310 nan 0.000 0.490 184 Q N -0.255 119.514 119.800 -0.052 0.000 2.384 184 Q HA 0.135 4.475 4.340 -0.000 0.000 0.207 184 Q C 1.686 177.714 176.000 0.048 0.000 0.904 184 Q CA 0.083 55.883 55.803 -0.005 0.000 0.933 184 Q CB 0.162 28.896 28.738 -0.006 0.000 1.077 184 Q HN 0.478 nan 8.270 nan 0.000 0.522 185 E N 1.342 121.560 120.200 0.029 0.000 2.012 185 E HA -0.197 4.153 4.350 -0.000 0.000 0.197 185 E C 2.015 178.680 176.600 0.108 0.000 1.007 185 E CA 1.120 57.596 56.400 0.127 0.000 0.816 185 E CB -0.388 29.354 29.700 0.070 0.000 0.762 185 E HN 0.353 nan 8.360 nan 0.000 0.451 186 L N 0.679 121.888 121.223 -0.022 0.000 2.079 186 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 186 L C 2.643 179.436 176.870 -0.128 0.000 1.081 186 L CA 1.417 56.190 54.840 -0.112 0.000 0.752 186 L CB -0.407 41.553 42.059 -0.165 0.000 0.896 186 L HN 0.214 nan 8.230 nan 0.000 0.433 187 E N 0.009 120.179 120.200 -0.051 0.000 2.072 187 E HA -0.232 4.118 4.350 -0.000 0.000 0.190 187 E C 2.145 178.745 176.600 0.001 0.000 0.982 187 E CA 0.840 57.216 56.400 -0.039 0.000 0.803 187 E CB -0.040 29.658 29.700 -0.003 0.000 0.755 187 E HN 0.365 nan 8.360 nan 0.000 0.453 188 F N 1.478 121.399 119.950 -0.049 0.000 2.102 188 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 188 F C 1.851 177.644 175.800 -0.011 0.000 1.105 188 F CA 1.406 59.387 58.000 -0.032 0.000 1.239 188 F CB -0.217 38.766 39.000 -0.029 0.000 0.991 188 F HN -0.012 nan 8.300 nan 0.000 0.474 189 I N 0.514 120.978 120.570 -0.176 0.000 2.226 189 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 189 I C 2.725 178.650 176.117 -0.320 0.000 1.100 189 I CA 1.198 62.351 61.300 -0.245 0.000 1.374 189 I CB -1.126 36.829 38.000 -0.076 0.000 1.057 189 I HN 0.247 nan 8.210 nan 0.000 0.413 190 A N 0.546 123.206 122.820 -0.267 0.000 1.940 190 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 190 A C 1.982 179.485 177.584 -0.134 0.000 1.176 190 A CA 2.478 54.407 52.037 -0.180 0.000 0.631 190 A CB -0.752 18.142 19.000 -0.176 0.000 0.814 190 A HN 0.492 nan 8.150 nan 0.000 0.446 191 D N -0.592 119.691 120.400 -0.196 0.000 2.117 191 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 191 D C 1.751 177.929 176.300 -0.203 0.000 0.982 191 D CA 1.091 54.990 54.000 -0.169 0.000 0.828 191 D CB -0.087 40.615 40.800 -0.163 0.000 0.967 191 D HN 0.271 nan 8.370 nan 0.000 0.464 192 I N 0.621 120.988 120.570 -0.338 0.000 2.179 192 I HA -0.204 3.966 4.170 -0.000 0.000 0.242 192 I C 2.361 178.390 176.117 -0.146 0.000 1.088 192 I CA 0.952 62.104 61.300 -0.246 0.000 1.357 192 I CB -1.034 36.814 38.000 -0.254 0.000 1.051 192 I HN 0.239 nan 8.210 nan 0.000 0.409 193 L N 0.333 121.443 121.223 -0.189 0.000 2.201 193 L HA -0.194 4.146 4.340 -0.000 0.000 0.212 193 L C 2.094 178.930 176.870 -0.057 0.000 1.105 193 L CA 1.031 55.777 54.840 -0.157 0.000 0.775 193 L CB -0.674 41.224 42.059 -0.269 0.000 0.913 193 L HN 0.310 nan 8.230 nan 0.000 0.440 194 N N -0.084 118.586 118.700 -0.050 0.000 2.381 194 N HA -0.177 4.563 4.740 -0.000 0.000 0.182 194 N C 1.811 177.312 175.510 -0.014 0.000 1.025 194 N CA 1.042 54.081 53.050 -0.018 0.000 0.888 194 N CB 0.188 38.665 38.487 -0.016 0.000 0.965 194 N HN 0.370 nan 8.380 nan 0.000 0.438 195 Q N -1.547 118.238 119.800 -0.024 0.000 2.297 195 Q HA 0.078 4.418 4.340 -0.000 0.000 0.203 195 Q C -0.543 175.463 176.000 0.010 0.000 0.931 195 Q CA 0.591 56.389 55.803 -0.007 0.000 0.885 195 Q CB 0.602 29.332 28.738 -0.014 0.000 0.991 195 Q HN 0.197 nan 8.270 nan 0.000 0.498 196 D N -0.988 119.418 120.400 0.011 0.000 2.319 196 D HA 0.242 4.882 4.640 -0.000 0.000 0.237 196 D C -0.397 175.932 176.300 0.048 0.000 1.353 196 D CA -0.220 53.803 54.000 0.039 0.000 0.992 196 D CB 1.059 41.889 40.800 0.051 0.000 1.368 196 D HN 0.048 nan 8.370 nan 0.000 0.564 197 A N 3.504 126.372 122.820 0.080 0.000 2.259 197 A HA -0.068 4.252 4.320 -0.000 0.000 0.212 197 A C 1.361 179.145 177.584 0.333 0.000 1.178 197 A CA 0.937 53.066 52.037 0.152 0.000 0.734 197 A CB 0.007 19.087 19.000 0.133 0.000 0.774 197 A HN 0.473 nan 8.150 nan 0.000 0.481 198 K N -0.269 120.281 120.400 0.249 0.000 2.447 198 K HA 0.085 4.405 4.320 -0.000 0.000 0.205 198 K C 0.104 176.867 176.600 0.271 0.000 1.059 198 K CA -0.426 56.042 56.287 0.302 0.000 1.065 198 K CB 0.252 32.856 32.500 0.172 0.000 0.885 198 K HN 0.319 nan 8.250 nan 0.000 0.545 199 N N 1.615 120.415 118.700 0.168 0.000 2.386 199 N HA -0.147 4.593 4.740 -0.000 0.000 0.273 199 N C 0.528 176.086 175.510 0.079 0.000 1.331 199 N CA 0.513 53.619 53.050 0.093 0.000 0.891 199 N CB 0.214 38.714 38.487 0.021 0.000 1.139 199 N HN 0.202 nan 8.380 nan 0.000 0.487 200 Y N 4.888 125.140 120.300 -0.079 0.000 2.128 200 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 200 Y C 2.132 177.811 175.900 -0.368 0.000 1.154 200 Y CA 1.789 59.773 58.100 -0.194 0.000 1.149 200 Y CB 0.006 38.255 38.460 -0.351 0.000 0.976 200 Y HN 0.712 nan 8.280 nan 0.000 0.505 201 H N -1.149 117.786 119.070 -0.225 0.000 2.387 201 H HA -0.092 4.464 4.556 -0.000 0.000 0.299 201 H C 2.326 176.984 175.328 -1.116 0.000 1.090 201 H CA 1.106 56.745 56.048 -0.683 0.000 1.332 201 H CB -0.656 28.472 29.762 -1.057 0.000 1.386 201 H HN 0.501 nan 8.280 nan 0.000 0.516 202 A N 0.954 123.217 122.820 -0.929 0.000 1.877 202 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 202 A C 2.286 179.555 177.584 -0.525 0.000 1.186 202 A CA 1.323 52.810 52.037 -0.917 0.000 0.620 202 A CB -1.207 17.488 19.000 -0.507 0.000 0.822 202 A HN 0.439 nan 8.150 nan 0.000 0.443 203 W N -0.358 120.737 121.300 -0.342 0.000 2.363 203 W HA -0.140 4.520 4.660 -0.000 0.000 0.296 203 W C 2.670 179.000 176.519 -0.314 0.000 1.212 203 W CA 1.410 58.582 57.345 -0.288 0.000 1.260 203 W CB -0.101 29.159 29.460 -0.332 0.000 1.131 203 W HN 0.503 nan 8.180 nan 0.000 0.530 204 Q N -0.515 119.200 119.800 -0.142 0.000 2.079 204 Q HA -0.287 4.052 4.340 -0.000 0.000 0.200 204 Q C 2.076 178.086 176.000 0.016 0.000 0.974 204 Q CA 1.968 57.706 55.803 -0.109 0.000 0.840 204 Q CB -0.364 28.320 28.738 -0.091 0.000 0.898 204 Q HN 0.381 nan 8.270 nan 0.000 0.430 205 H N 0.041 119.051 119.070 -0.100 0.000 2.387 205 H HA -0.054 4.502 4.556 -0.000 0.000 0.299 205 H C 2.081 177.518 175.328 0.181 0.000 1.090 205 H CA 1.891 58.007 56.048 0.113 0.000 1.332 205 H CB 0.140 29.966 29.762 0.107 0.000 1.386 205 H HN 0.108 nan 8.280 nan 0.000 0.516 206 R N 0.023 120.562 120.500 0.064 0.000 2.081 206 R HA -0.133 4.207 4.340 -0.000 0.000 0.235 206 R C 2.268 178.542 176.300 -0.044 0.000 1.131 206 R CA 1.836 57.936 56.100 0.000 0.000 0.960 206 R CB 0.020 30.299 30.300 -0.034 0.000 0.856 206 R HN 0.524 nan 8.270 nan 0.000 0.436 207 Q N -1.060 118.678 119.800 -0.102 0.000 2.119 207 Q HA -0.225 4.115 4.340 -0.000 0.000 0.201 207 Q C 1.720 177.706 176.000 -0.024 0.000 0.972 207 Q CA 1.619 57.253 55.803 -0.281 0.000 0.847 207 Q CB -0.244 28.058 28.738 -0.726 0.000 0.903 207 Q HN 0.464 nan 8.270 nan 0.000 0.433 208 W N 0.985 122.215 121.300 -0.117 0.000 2.355 208 W HA -0.192 4.467 4.660 -0.000 0.000 0.309 208 W C 1.839 178.325 176.519 -0.054 0.000 1.206 208 W CA 1.316 58.623 57.345 -0.063 0.000 1.284 208 W CB -0.431 28.979 29.460 -0.084 0.000 1.145 208 W HN -0.182 nan 8.180 nan 0.000 0.502 209 V N 1.501 121.181 119.914 -0.389 0.000 2.261 209 V HA -0.344 3.776 4.120 -0.000 0.000 0.246 209 V C 2.338 178.225 176.094 -0.344 0.000 1.047 209 V CA 2.273 64.272 62.300 -0.502 0.000 1.015 209 V CB -1.053 30.611 31.823 -0.264 0.000 0.642 209 V HN 0.229 nan 8.190 nan 0.000 0.446 210 I N -0.294 120.079 120.570 -0.328 0.000 2.163 210 I HA -0.352 3.818 4.170 -0.000 0.000 0.243 210 I C 2.676 178.347 176.117 -0.742 0.000 1.085 210 I CA 2.180 63.168 61.300 -0.520 0.000 1.347 210 I CB -0.338 37.351 38.000 -0.518 0.000 1.044 210 I HN 0.395 nan 8.210 nan 0.000 0.408 211 Q N 0.733 120.242 119.800 -0.485 0.000 2.083 211 Q HA -0.265 4.075 4.340 -0.000 0.000 0.198 211 Q C 2.074 177.938 176.000 -0.227 0.000 0.969 211 Q CA 1.672 57.346 55.803 -0.215 0.000 0.838 211 Q CB 0.056 28.884 28.738 0.151 0.000 0.900 211 Q HN 0.308 nan 8.270 nan 0.000 0.436 212 E N -0.477 119.439 120.200 -0.472 0.000 2.106 212 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 212 E C 0.499 176.635 176.600 -0.773 0.000 0.984 212 E CA 1.252 57.243 56.400 -0.682 0.000 0.806 212 E CB -0.015 28.958 29.700 -1.213 0.000 0.750 212 E HN 0.455 nan 8.360 nan 0.000 0.458 213 F N 0.450 120.176 119.950 -0.375 0.000 2.654 213 F HA 0.369 4.896 4.527 -0.000 0.000 0.303 213 F C -0.114 175.568 175.800 -0.197 0.000 1.099 213 F CA -0.318 57.532 58.000 -0.250 0.000 1.270 213 F CB 0.235 39.077 39.000 -0.264 0.000 1.024 213 F HN -0.215 nan 8.300 nan 0.000 0.548 214 K N 1.301 121.630 120.400 -0.119 0.000 3.419 214 K HA -0.200 4.120 4.320 -0.000 0.000 0.272 214 K C -0.493 176.021 176.600 -0.144 0.000 0.973 214 K CA 0.283 56.525 56.287 -0.074 0.000 0.749 214 K CB -1.948 30.631 32.500 0.132 0.000 1.403 214 K HN 0.377 nan 8.250 nan 0.000 0.456 215 L N 0.144 121.136 121.223 -0.386 0.000 2.828 215 L HA 0.192 4.532 4.340 -0.000 0.000 0.233 215 L C 0.874 177.587 176.870 -0.263 0.000 1.250 215 L CA -0.511 54.190 54.840 -0.232 0.000 1.125 215 L CB -0.288 41.656 42.059 -0.193 0.000 1.432 215 L HN 0.344 nan 8.230 nan 0.000 0.444 216 W N -0.859 120.439 121.300 -0.004 0.000 2.640 216 W HA 0.018 4.678 4.660 -0.000 0.000 0.268 216 W C 1.791 178.301 176.519 -0.014 0.000 1.263 216 W CA -0.240 57.097 57.345 -0.014 0.000 1.344 216 W CB 0.020 29.446 29.460 -0.057 0.000 1.093 216 W HN 0.326 nan 8.180 nan 0.000 0.603 217 D N 0.710 121.224 120.400 0.191 0.000 2.200 217 D HA -0.225 4.415 4.640 -0.000 0.000 0.192 217 D C 1.303 177.649 176.300 0.078 0.000 1.008 217 D CA 1.527 55.591 54.000 0.106 0.000 0.872 217 D CB -0.506 40.333 40.800 0.066 0.000 0.923 217 D HN 0.247 nan 8.370 nan 0.000 0.447 218 N N -0.229 118.512 118.700 0.067 0.000 2.187 218 N HA -0.015 4.724 4.740 -0.000 0.000 0.212 218 N C 1.133 176.704 175.510 0.102 0.000 1.152 218 N CA 0.001 53.088 53.050 0.063 0.000 0.872 218 N CB 0.947 39.455 38.487 0.034 0.000 1.025 218 N HN 0.111 nan 8.380 nan 0.000 0.514 219 E N 1.239 121.518 120.200 0.131 0.000 2.150 219 E HA -0.053 4.296 4.350 -0.000 0.000 0.193 219 E C 1.706 178.427 176.600 0.202 0.000 0.985 219 E CA 0.567 57.088 56.400 0.202 0.000 0.814 219 E CB -0.065 29.779 29.700 0.241 0.000 0.752 219 E HN 0.127 nan 8.360 nan 0.000 0.466 220 L N 0.659 121.953 121.223 0.119 0.000 2.141 220 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 220 L C 1.892 178.767 176.870 0.009 0.000 1.094 220 L CA 1.763 56.624 54.840 0.034 0.000 0.763 220 L CB -0.425 41.620 42.059 -0.022 0.000 0.908 220 L HN 0.176 nan 8.230 nan 0.000 0.437 221 Q N -2.183 117.645 119.800 0.047 0.000 2.119 221 Q HA -0.238 4.102 4.340 -0.000 0.000 0.201 221 Q C 2.076 178.121 176.000 0.076 0.000 0.972 221 Q CA 1.784 57.609 55.803 0.037 0.000 0.847 221 Q CB -0.420 28.348 28.738 0.051 0.000 0.903 221 Q HN 0.569 nan 8.270 nan 0.000 0.433 222 Y N 0.929 121.235 120.300 0.011 0.000 2.181 222 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 222 Y C 2.033 177.955 175.900 0.036 0.000 1.146 222 Y CA 0.943 59.061 58.100 0.030 0.000 1.164 222 Y CB -0.230 38.264 38.460 0.058 0.000 0.982 222 Y HN -0.154 nan 8.280 nan 0.000 0.515 223 V N 0.501 120.422 119.914 0.012 0.000 2.295 223 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 223 V C 2.095 178.055 176.094 -0.223 0.000 1.049 223 V CA 2.290 64.516 62.300 -0.123 0.000 1.024 223 V CB -0.645 31.124 31.823 -0.091 0.000 0.648 223 V HN 0.378 nan 8.190 nan 0.000 0.447 224 D N -0.615 119.678 120.400 -0.179 0.000 2.149 224 D HA -0.203 4.436 4.640 -0.000 0.000 0.198 224 D C 2.185 178.404 176.300 -0.135 0.000 0.990 224 D CA 1.438 55.337 54.000 -0.168 0.000 0.839 224 D CB -0.158 40.566 40.800 -0.127 0.000 0.948 224 D HN 0.423 nan 8.370 nan 0.000 0.460 225 Q N 0.726 120.444 119.800 -0.137 0.000 2.046 225 Q HA -0.043 4.297 4.340 -0.000 0.000 0.200 225 Q C 2.238 178.139 176.000 -0.166 0.000 0.975 225 Q CA 1.035 56.763 55.803 -0.126 0.000 0.836 225 Q CB -0.450 28.224 28.738 -0.106 0.000 0.896 225 Q HN 0.295 nan 8.270 nan 0.000 0.428 226 L N -0.309 120.756 121.223 -0.263 0.000 2.141 226 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 226 L C 2.281 179.050 176.870 -0.168 0.000 1.094 226 L CA 0.698 55.406 54.840 -0.220 0.000 0.763 226 L CB -0.419 41.486 42.059 -0.257 0.000 0.908 226 L HN 0.268 nan 8.230 nan 0.000 0.437 227 L N -0.054 121.040 121.223 -0.215 0.000 2.201 227 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 227 L C 2.626 179.429 176.870 -0.112 0.000 1.105 227 L CA 0.796 55.500 54.840 -0.226 0.000 0.775 227 L CB -0.303 41.548 42.059 -0.347 0.000 0.913 227 L HN 0.193 nan 8.230 nan 0.000 0.440 228 K N 0.756 121.104 120.400 -0.087 0.000 2.057 228 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 228 K C 1.826 178.404 176.600 -0.037 0.000 1.050 228 K CA 1.450 57.709 56.287 -0.047 0.000 0.935 228 K CB 0.001 32.478 32.500 -0.038 0.000 0.715 228 K HN 0.249 nan 8.250 nan 0.000 0.439 229 E N -0.382 119.789 120.200 -0.048 0.000 2.072 229 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 229 E C -0.169 176.423 176.600 -0.014 0.000 0.985 229 E CA 1.135 57.517 56.400 -0.030 0.000 0.801 229 E CB 0.155 29.833 29.700 -0.037 0.000 0.750 229 E HN 0.206 nan 8.360 nan 0.000 0.452 230 D N -0.517 119.872 120.400 -0.018 0.000 2.319 230 D HA 0.003 4.643 4.640 -0.000 0.000 0.237 230 D C -0.139 176.172 176.300 0.019 0.000 1.353 230 D CA -0.168 53.839 54.000 0.011 0.000 0.992 230 D CB 1.496 42.311 40.800 0.025 0.000 1.368 230 D HN -0.101 nan 8.370 nan 0.000 0.564 231 V N 4.615 124.557 119.914 0.046 0.000 3.241 231 V HA -0.015 4.105 4.120 -0.000 0.000 0.269 231 V C 1.592 177.860 176.094 0.290 0.000 1.151 231 V CA 1.397 63.769 62.300 0.121 0.000 1.158 231 V CB -0.336 31.557 31.823 0.118 0.000 0.764 231 V HN 0.393 nan 8.190 nan 0.000 0.508 232 R N 0.412 121.019 120.500 0.177 0.000 2.334 232 R HA 0.145 4.485 4.340 -0.000 0.000 0.216 232 R C 0.704 177.109 176.300 0.175 0.000 0.905 232 R CA -0.162 56.041 56.100 0.171 0.000 1.064 232 R CB -0.165 30.190 30.300 0.092 0.000 1.046 232 R HN 0.335 nan 8.270 nan 0.000 0.508 233 N N 1.780 120.577 118.700 0.162 0.000 2.421 233 N HA -0.056 4.684 4.740 -0.000 0.000 0.260 233 N C 0.386 175.990 175.510 0.157 0.000 1.173 233 N CA 0.200 53.314 53.050 0.107 0.000 0.960 233 N CB 0.480 38.990 38.487 0.039 0.000 1.273 233 N HN 0.043 nan 8.380 nan 0.000 0.497 234 N N 1.607 120.394 118.700 0.145 0.000 2.272 234 N HA -0.113 4.627 4.740 -0.000 0.000 0.185 234 N C 1.113 176.621 175.510 -0.002 0.000 1.014 234 N CA 1.279 54.411 53.050 0.136 0.000 0.870 234 N CB 0.243 38.767 38.487 0.061 0.000 0.975 234 N HN 0.357 nan 8.380 nan 0.000 0.433 235 S N -1.099 114.510 115.700 -0.151 0.000 2.402 235 S HA -0.055 4.414 4.470 -0.000 0.000 0.229 235 S C 1.927 176.074 174.600 -0.755 0.000 1.021 235 S CA 0.861 58.762 58.200 -0.498 0.000 0.974 235 S CB -0.123 62.703 63.200 -0.624 0.000 0.800 235 S HN 0.182 nan 8.310 nan 0.000 0.484 236 V N -0.235 119.376 119.914 -0.505 0.000 2.453 236 V HA -0.106 4.014 4.120 -0.000 0.000 0.247 236 V C 1.817 177.689 176.094 -0.370 0.000 1.048 236 V CA 1.189 63.180 62.300 -0.516 0.000 1.049 236 V CB -0.767 30.841 31.823 -0.358 0.000 0.672 236 V HN 0.571 nan 8.190 nan 0.000 0.457 237 W N 0.609 121.771 121.300 -0.230 0.000 2.363 237 W HA -0.157 4.503 4.660 -0.000 0.000 0.296 237 W C 2.507 178.980 176.519 -0.078 0.000 1.212 237 W CA 1.639 58.867 57.345 -0.196 0.000 1.260 237 W CB -0.478 28.896 29.460 -0.144 0.000 1.131 237 W HN 0.302 nan 8.180 nan 0.000 0.530 238 N N 0.220 118.978 118.700 0.096 0.000 2.142 238 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 238 N C 1.722 177.301 175.510 0.115 0.000 1.023 238 N CA 1.675 54.781 53.050 0.094 0.000 0.852 238 N CB -0.342 38.100 38.487 -0.073 0.000 0.998 238 N HN 0.013 nan 8.380 nan 0.000 0.424 239 Q N 0.718 120.453 119.800 -0.108 0.000 2.124 239 Q HA -0.039 4.301 4.340 -0.000 0.000 0.202 239 Q C 2.076 178.208 176.000 0.219 0.000 0.977 239 Q CA 1.335 57.151 55.803 0.023 0.000 0.850 239 Q CB -0.225 28.380 28.738 -0.220 0.000 0.901 239 Q HN 0.335 nan 8.270 nan 0.000 0.429 240 R N -1.276 119.279 120.500 0.092 0.000 2.083 240 R HA -0.213 4.127 4.340 -0.000 0.000 0.237 240 R C 2.085 178.563 176.300 0.295 0.000 1.137 240 R CA 1.693 57.848 56.100 0.090 0.000 0.951 240 R CB -0.522 29.702 30.300 -0.127 0.000 0.851 240 R HN 0.440 nan 8.270 nan 0.000 0.434 241 Y N 0.148 120.690 120.300 0.402 0.000 2.181 241 Y HA -0.268 4.282 4.550 -0.000 0.000 0.288 241 Y C 1.929 178.057 175.900 0.380 0.000 1.146 241 Y CA 1.916 60.325 58.100 0.516 0.000 1.164 241 Y CB -0.417 38.318 38.460 0.457 0.000 0.982 241 Y HN 0.148 nan 8.280 nan 0.000 0.515 242 F N -0.228 119.936 119.950 0.357 0.000 2.095 242 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 242 F C 2.061 177.997 175.800 0.226 0.000 1.104 242 F CA 1.965 60.142 58.000 0.294 0.000 1.232 242 F CB -0.937 38.223 39.000 0.267 0.000 0.987 242 F HN -0.103 nan 8.300 nan 0.000 0.475 243 V N 0.994 120.980 119.914 0.120 0.000 2.261 243 V HA -0.311 3.809 4.120 -0.000 0.000 0.246 243 V C 2.489 178.435 176.094 -0.247 0.000 1.047 243 V CA 2.288 64.589 62.300 0.002 0.000 1.015 243 V CB -0.673 31.248 31.823 0.163 0.000 0.642 243 V HN 0.388 nan 8.190 nan 0.000 0.446 244 I N 1.110 121.539 120.570 -0.235 0.000 2.226 244 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 244 I C 2.688 178.481 176.117 -0.541 0.000 1.100 244 I CA 1.826 62.862 61.300 -0.440 0.000 1.374 244 I CB -0.543 37.102 38.000 -0.592 0.000 1.057 244 I HN 0.481 nan 8.210 nan 0.000 0.413 245 S N 0.569 116.000 115.700 -0.448 0.000 2.419 245 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 245 S C 1.477 175.874 174.600 -0.338 0.000 1.016 245 S CA 1.569 59.579 58.200 -0.317 0.000 0.974 245 S CB -0.660 62.406 63.200 -0.224 0.000 0.786 245 S HN 0.467 nan 8.310 nan 0.000 0.492 246 N N 0.822 119.209 118.700 -0.522 0.000 2.280 246 N HA 0.153 4.893 4.740 -0.000 0.000 0.192 246 N C 1.311 176.268 175.510 -0.921 0.000 1.109 246 N CA 0.880 53.480 53.050 -0.750 0.000 0.855 246 N CB 0.551 38.340 38.487 -1.164 0.000 0.974 246 N HN 0.761 nan 8.380 nan 0.000 0.482 247 T N -3.925 110.206 114.554 -0.705 0.000 3.479 247 T HA 0.018 4.367 4.350 -0.000 0.000 0.197 247 T C 1.990 176.461 174.700 -0.382 0.000 0.912 247 T CA 0.785 62.535 62.100 -0.583 0.000 1.281 247 T CB -0.884 67.699 68.868 -0.474 0.000 1.588 247 T HN 0.045 nan 8.240 nan 0.000 0.389 248 T N -0.579 113.772 114.554 -0.337 0.000 2.978 248 T HA 0.452 4.802 4.350 -0.000 0.000 0.262 248 T C 1.454 175.995 174.700 -0.266 0.000 1.063 248 T CA 0.722 62.662 62.100 -0.267 0.000 1.140 248 T CB -1.131 67.588 68.868 -0.247 0.000 0.886 248 T HN 1.560 nan 8.240 nan 0.000 0.470 249 G N 0.427 109.016 108.800 -0.351 0.000 2.795 249 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.664 249 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.664 249 G C -0.247 174.449 174.900 -0.339 0.000 1.381 249 G CA -0.179 44.756 45.100 -0.276 0.000 0.853 249 G HN 0.345 nan 8.290 nan 0.000 0.545 250 Y N 0.334 120.566 120.300 -0.114 0.000 2.467 250 Y HA 0.214 4.764 4.550 -0.000 0.000 0.250 250 Y C 2.460 178.345 175.900 -0.025 0.000 1.155 250 Y CA 0.293 58.349 58.100 -0.072 0.000 1.249 250 Y CB 0.426 38.846 38.460 -0.068 0.000 1.146 250 Y HN 0.465 nan 8.280 nan 0.000 0.524 251 N N 0.220 118.974 118.700 0.089 0.000 2.396 251 N HA -0.116 4.624 4.740 -0.000 0.000 0.180 251 N C 0.095 175.628 175.510 0.038 0.000 1.028 251 N CA 0.794 53.883 53.050 0.066 0.000 0.893 251 N CB -0.087 38.422 38.487 0.037 0.000 0.967 251 N HN 0.287 nan 8.380 nan 0.000 0.440 252 D N 1.275 121.677 120.400 0.003 0.000 2.346 252 D HA 0.049 4.689 4.640 -0.000 0.000 0.260 252 D C 0.993 177.303 176.300 0.017 0.000 1.252 252 D CA -0.028 53.966 54.000 -0.010 0.000 0.895 252 D CB 0.532 41.301 40.800 -0.052 0.000 1.097 252 D HN 0.031 nan 8.370 nan 0.000 0.489 253 R N 3.017 123.537 120.500 0.033 0.000 2.159 253 R HA -0.141 4.199 4.340 -0.000 0.000 0.237 253 R C 1.826 178.152 176.300 0.044 0.000 1.131 253 R CA 1.313 57.447 56.100 0.056 0.000 0.982 253 R CB -0.085 30.247 30.300 0.054 0.000 0.868 253 R HN 0.491 nan 8.270 nan 0.000 0.453 254 A N 0.647 123.478 122.820 0.019 0.000 1.929 254 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 254 A C 2.333 179.920 177.584 0.005 0.000 1.176 254 A CA 1.046 53.089 52.037 0.011 0.000 0.628 254 A CB -0.294 18.703 19.000 -0.004 0.000 0.816 254 A HN 0.093 nan 8.150 nan 0.000 0.444 255 V N -0.228 119.676 119.914 -0.016 0.000 2.307 255 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 255 V C 2.475 178.579 176.094 0.016 0.000 1.045 255 V CA 1.883 64.156 62.300 -0.046 0.000 1.024 255 V CB -0.819 30.925 31.823 -0.132 0.000 0.651 255 V HN 0.571 nan 8.190 nan 0.000 0.449 256 L N 0.566 121.830 121.223 0.069 0.000 2.042 256 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 256 L C 2.431 179.365 176.870 0.107 0.000 1.076 256 L CA 2.399 57.326 54.840 0.145 0.000 0.749 256 L CB -0.711 41.443 42.059 0.158 0.000 0.893 256 L HN 0.437 nan 8.230 nan 0.000 0.432 257 E N -0.095 120.153 120.200 0.081 0.000 2.051 257 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 257 E C 2.455 179.100 176.600 0.074 0.000 0.991 257 E CA 1.601 58.042 56.400 0.070 0.000 0.799 257 E CB -0.372 29.363 29.700 0.058 0.000 0.748 257 E HN 0.443 nan 8.360 nan 0.000 0.449 258 R N 0.102 120.642 120.500 0.066 0.000 2.091 258 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 258 R C 1.919 178.300 176.300 0.136 0.000 1.136 258 R CA 1.718 57.862 56.100 0.073 0.000 0.959 258 R CB -0.153 30.164 30.300 0.028 0.000 0.856 258 R HN 0.158 nan 8.270 nan 0.000 0.437 259 E N 0.124 120.419 120.200 0.159 0.000 2.072 259 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 259 E C 2.112 178.891 176.600 0.299 0.000 0.985 259 E CA 1.106 57.680 56.400 0.290 0.000 0.801 259 E CB -0.266 29.656 29.700 0.370 0.000 0.750 259 E HN 0.202 nan 8.360 nan 0.000 0.452 260 V N 1.891 121.901 119.914 0.160 0.000 2.343 260 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 260 V C 2.486 178.619 176.094 0.065 0.000 1.051 260 V CA 1.538 63.881 62.300 0.071 0.000 1.036 260 V CB -0.407 31.410 31.823 -0.010 0.000 0.654 260 V HN 0.219 nan 8.190 nan 0.000 0.451 261 Q N -1.021 118.830 119.800 0.085 0.000 2.079 261 Q HA -0.221 4.119 4.340 -0.000 0.000 0.200 261 Q C 2.149 178.202 176.000 0.088 0.000 0.974 261 Q CA 2.079 57.918 55.803 0.059 0.000 0.840 261 Q CB -0.499 28.277 28.738 0.064 0.000 0.898 261 Q HN 0.791 nan 8.270 nan 0.000 0.430 262 Y N 1.787 122.116 120.300 0.048 0.000 2.128 262 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 262 Y C 2.289 178.247 175.900 0.096 0.000 1.154 262 Y CA 2.154 60.292 58.100 0.063 0.000 1.149 262 Y CB -0.388 38.121 38.460 0.082 0.000 0.976 262 Y HN 0.064 nan 8.280 nan 0.000 0.505 263 T N 1.321 116.004 114.554 0.213 0.000 2.746 263 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 263 T C 2.049 176.650 174.700 -0.165 0.000 1.039 263 T CA 1.702 63.862 62.100 0.100 0.000 1.142 263 T CB -0.573 68.435 68.868 0.233 0.000 0.866 263 T HN 0.318 nan 8.240 nan 0.000 0.444 264 L N 0.749 121.875 121.223 -0.161 0.000 2.083 264 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 264 L C 2.838 179.578 176.870 -0.217 0.000 1.083 264 L CA 1.320 56.014 54.840 -0.244 0.000 0.752 264 L CB -0.437 41.513 42.059 -0.182 0.000 0.899 264 L HN 0.239 nan 8.230 nan 0.000 0.433 265 E N 0.091 120.185 120.200 -0.176 0.000 2.106 265 E HA -0.220 4.130 4.350 -0.000 0.000 0.192 265 E C 2.176 178.665 176.600 -0.186 0.000 0.984 265 E CA 1.378 57.680 56.400 -0.163 0.000 0.806 265 E CB -0.021 29.591 29.700 -0.146 0.000 0.750 265 E HN 0.198 nan 8.360 nan 0.000 0.458 266 M N -0.022 119.426 119.600 -0.254 0.000 2.175 266 M HA -0.052 4.427 4.480 -0.000 0.000 0.264 266 M C 2.346 178.544 176.300 -0.171 0.000 1.063 266 M CA 1.124 56.308 55.300 -0.194 0.000 1.119 266 M CB -0.732 31.792 32.600 -0.126 0.000 1.377 266 M HN 0.215 nan 8.290 nan 0.000 0.415 267 I N -0.028 120.375 120.570 -0.279 0.000 2.226 267 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 267 I C 2.282 178.331 176.117 -0.113 0.000 1.100 267 I CA 1.272 62.357 61.300 -0.359 0.000 1.374 267 I CB -0.369 37.190 38.000 -0.735 0.000 1.057 267 I HN 0.309 nan 8.210 nan 0.000 0.413 268 K N 0.158 120.527 120.400 -0.052 0.000 2.211 268 K HA -0.137 4.183 4.320 -0.000 0.000 0.203 268 K C 1.969 178.659 176.600 0.149 0.000 1.050 268 K CA 0.990 57.376 56.287 0.165 0.000 0.945 268 K CB -0.024 32.472 32.500 -0.007 0.000 0.732 268 K HN 0.124 nan 8.250 nan 0.000 0.451 269 L N -0.010 121.228 121.223 0.024 0.000 2.072 269 L HA -0.062 4.277 4.340 -0.000 0.000 0.205 269 L C 0.620 177.506 176.870 0.026 0.000 1.079 269 L CA 1.343 56.194 54.840 0.018 0.000 0.752 269 L CB 0.382 42.429 42.059 -0.020 0.000 0.906 269 L HN -0.171 nan 8.230 nan 0.000 0.436 270 V N -0.274 119.647 119.914 0.011 0.000 2.467 270 V HA 0.218 4.338 4.120 -0.000 0.000 0.260 270 V C -1.773 174.338 176.094 0.028 0.000 0.963 270 V CA -0.786 61.533 62.300 0.033 0.000 0.856 270 V CB 0.997 32.841 31.823 0.034 0.000 1.087 270 V HN 0.062 nan 8.190 nan 0.000 0.467 271 P HA -0.140 nan 4.420 nan 0.000 0.218 271 P C 0.811 178.141 177.300 0.049 0.000 1.146 271 P CA 1.525 64.626 63.100 0.001 0.000 0.813 271 P CB 0.094 31.628 31.700 -0.275 0.000 0.778 272 H N -3.171 115.996 119.070 0.162 0.000 2.517 272 H HA 0.153 4.708 4.556 -0.000 0.000 0.282 272 H C 0.379 175.682 175.328 -0.041 0.000 1.023 272 H CA -0.332 55.831 56.048 0.192 0.000 1.169 272 H CB -0.718 29.172 29.762 0.214 0.000 1.454 272 H HN -0.004 nan 8.280 nan 0.000 0.556 273 N N 1.458 120.168 118.700 0.017 0.000 2.402 273 N HA -0.061 4.679 4.740 -0.000 0.000 0.252 273 N C 1.135 176.524 175.510 -0.201 0.000 1.118 273 N CA 0.103 53.111 53.050 -0.070 0.000 0.945 273 N CB 0.714 39.182 38.487 -0.032 0.000 1.147 273 N HN 0.397 nan 8.380 nan 0.000 0.495 274 E N 2.264 122.254 120.200 -0.349 0.000 2.110 274 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 274 E C 0.938 177.409 176.600 -0.214 0.000 0.988 274 E CA 0.928 57.086 56.400 -0.403 0.000 0.804 274 E CB 0.176 29.691 29.700 -0.308 0.000 0.745 274 E HN 0.646 nan 8.360 nan 0.000 0.458 275 S N 0.366 115.913 115.700 -0.254 0.000 2.374 275 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 275 S C 1.996 176.106 174.600 -0.817 0.000 1.037 275 S CA 1.150 59.094 58.200 -0.427 0.000 1.024 275 S CB -0.301 62.666 63.200 -0.389 0.000 0.861 275 S HN 0.508 nan 8.310 nan 0.000 0.456 276 A N 0.350 122.625 122.820 -0.908 0.000 1.902 276 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 276 A C 1.844 179.104 177.584 -0.540 0.000 1.181 276 A CA 1.273 52.668 52.037 -1.071 0.000 0.623 276 A CB -1.057 17.502 19.000 -0.734 0.000 0.818 276 A HN 0.670 nan 8.150 nan 0.000 0.443 277 W N 0.567 121.659 121.300 -0.346 0.000 2.338 277 W HA -0.160 4.500 4.660 -0.000 0.000 0.304 277 W C 2.156 178.649 176.519 -0.044 0.000 1.212 277 W CA 1.219 58.472 57.345 -0.153 0.000 1.264 277 W CB -0.281 29.115 29.460 -0.108 0.000 1.142 277 W HN 0.335 nan 8.180 nan 0.000 0.512 278 N N -0.853 117.913 118.700 0.110 0.000 2.188 278 N HA -0.225 4.515 4.740 -0.000 0.000 0.184 278 N C 1.376 176.910 175.510 0.040 0.000 1.018 278 N CA 1.436 54.526 53.050 0.067 0.000 0.858 278 N CB -1.156 37.330 38.487 -0.002 0.000 0.989 278 N HN 0.235 nan 8.380 nan 0.000 0.426 279 Y N 1.326 121.520 120.300 -0.176 0.000 2.200 279 Y HA -0.094 4.456 4.550 -0.000 0.000 0.290 279 Y C 2.211 178.098 175.900 -0.022 0.000 1.137 279 Y CA 0.859 58.901 58.100 -0.097 0.000 1.163 279 Y CB -0.474 37.880 38.460 -0.176 0.000 0.988 279 Y HN -0.033 nan 8.280 nan 0.000 0.518 280 L N 1.204 122.427 121.223 0.000 0.000 2.012 280 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 280 L C 2.425 179.340 176.870 0.074 0.000 1.073 280 L CA 2.356 57.184 54.840 -0.021 0.000 0.748 280 L CB -0.952 41.064 42.059 -0.072 0.000 0.891 280 L HN 0.273 nan 8.230 nan 0.000 0.431 281 K N -1.146 119.400 120.400 0.243 0.000 2.097 281 K HA -0.075 4.244 4.320 -0.000 0.000 0.205 281 K C 1.983 178.546 176.600 -0.063 0.000 1.050 281 K CA 1.122 57.486 56.287 0.127 0.000 0.938 281 K CB -0.513 32.014 32.500 0.045 0.000 0.718 281 K HN 0.473 nan 8.250 nan 0.000 0.442 282 G N 1.880 110.607 108.800 -0.120 0.000 2.422 282 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.218 282 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.218 282 G C 1.430 176.162 174.900 -0.279 0.000 1.146 282 G CA 1.066 46.036 45.100 -0.217 0.000 0.769 282 G HN 0.534 nan 8.290 nan 0.000 0.547 283 I N -2.469 117.873 120.570 -0.381 0.000 3.684 283 I HA 0.353 4.522 4.170 -0.000 0.000 0.304 283 I C 1.625 177.566 176.117 -0.292 0.000 1.278 283 I CA 0.478 61.495 61.300 -0.471 0.000 1.272 283 I CB 0.067 37.654 38.000 -0.688 0.000 1.029 283 I HN 0.074 nan 8.210 nan 0.000 0.458 284 L N 0.495 121.598 121.223 -0.199 0.000 2.803 284 L HA 0.134 4.473 4.340 -0.000 0.000 0.246 284 L C 2.548 179.419 176.870 0.001 0.000 1.100 284 L CA 0.194 54.949 54.840 -0.141 0.000 0.919 284 L CB -0.203 41.691 42.059 -0.275 0.000 1.285 284 L HN 0.246 nan 8.230 nan 0.000 0.522 285 Q N 0.492 120.266 119.800 -0.043 0.000 2.096 285 Q HA -0.239 4.100 4.340 -0.000 0.000 0.204 285 Q C 0.933 176.940 176.000 0.012 0.000 0.982 285 Q CA 1.982 57.771 55.803 -0.024 0.000 0.850 285 Q CB -0.385 28.315 28.738 -0.064 0.000 0.901 285 Q HN 0.374 nan 8.270 nan 0.000 0.422 286 D N 0.469 120.874 120.400 0.010 0.000 2.144 286 D HA -0.106 4.534 4.640 -0.000 0.000 0.199 286 D C 2.036 178.369 176.300 0.054 0.000 0.984 286 D CA 0.880 54.897 54.000 0.028 0.000 0.834 286 D CB -0.094 40.722 40.800 0.028 0.000 0.955 286 D HN 0.226 nan 8.370 nan 0.000 0.465 287 R N -0.017 120.540 120.500 0.094 0.000 2.127 287 R HA 0.181 4.521 4.340 -0.000 0.000 0.217 287 R C 0.896 177.253 176.300 0.094 0.000 1.074 287 R CA 0.685 56.849 56.100 0.106 0.000 0.991 287 R CB -0.029 30.377 30.300 0.177 0.000 0.895 287 R HN 0.201 nan 8.270 nan 0.000 0.450 288 G N 0.327 109.208 108.800 0.136 0.000 3.326 288 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.681 288 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.681 288 G C 0.391 175.411 174.900 0.201 0.000 1.255 288 G CA -0.683 44.481 45.100 0.108 0.000 0.976 288 G HN 0.095 nan 8.290 nan 0.000 0.563 289 L N 1.622 122.936 121.223 0.153 0.000 2.127 289 L HA -0.118 4.222 4.340 -0.000 0.000 0.211 289 L C 3.042 180.053 176.870 0.234 0.000 1.089 289 L CA 2.084 57.050 54.840 0.210 0.000 0.757 289 L CB -0.444 41.632 42.059 0.029 0.000 0.899 289 L HN 0.860 nan 8.230 nan 0.000 0.434 290 S N -1.064 114.709 115.700 0.121 0.000 2.555 290 S HA -0.105 4.365 4.470 -0.000 0.000 0.230 290 S C 1.742 176.361 174.600 0.031 0.000 0.978 290 S CA 0.473 58.723 58.200 0.083 0.000 0.934 290 S CB -0.133 63.096 63.200 0.049 0.000 0.766 290 S HN 0.190 nan 8.310 nan 0.000 0.533 291 K N 0.721 121.101 120.400 -0.034 0.000 2.504 291 K HA 0.174 4.494 4.320 -0.000 0.000 0.195 291 K C -0.648 175.635 176.600 -0.527 0.000 1.036 291 K CA 0.398 56.497 56.287 -0.313 0.000 0.984 291 K CB -0.281 31.922 32.500 -0.495 0.000 0.788 291 K HN 0.626 nan 8.250 nan 0.000 0.488 292 Y N 0.400 120.727 120.300 0.046 0.000 2.915 292 Y HA 0.219 4.769 4.550 -0.000 0.000 0.350 292 Y C -1.641 174.288 175.900 0.048 0.000 1.061 292 Y CA -2.611 55.518 58.100 0.048 0.000 1.179 292 Y CB 0.759 39.255 38.460 0.060 0.000 1.180 292 Y HN 0.004 nan 8.280 nan 0.000 0.605 293 P HA -0.222 nan 4.420 nan 0.000 0.216 293 P C 0.677 178.031 177.300 0.090 0.000 1.150 293 P CA 1.604 64.754 63.100 0.084 0.000 0.843 293 P CB 0.578 32.305 31.700 0.045 0.000 0.787 294 N N -0.250 118.507 118.700 0.094 0.000 2.309 294 N HA -0.100 4.640 4.740 -0.000 0.000 0.182 294 N C 1.829 177.379 175.510 0.067 0.000 1.018 294 N CA 0.535 53.628 53.050 0.071 0.000 0.876 294 N CB -0.986 37.540 38.487 0.065 0.000 0.972 294 N HN 0.137 nan 8.380 nan 0.000 0.434 295 L N 1.008 122.290 121.223 0.099 0.000 2.046 295 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 295 L C 2.017 178.918 176.870 0.053 0.000 1.077 295 L CA 1.148 56.024 54.840 0.061 0.000 0.747 295 L CB -0.889 41.227 42.059 0.095 0.000 0.896 295 L HN 0.068 nan 8.230 nan 0.000 0.432 296 L N -0.002 121.273 121.223 0.087 0.000 2.042 296 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 296 L C 2.239 179.138 176.870 0.049 0.000 1.076 296 L CA 1.806 56.685 54.840 0.066 0.000 0.749 296 L CB -1.080 41.023 42.059 0.074 0.000 0.893 296 L HN 0.384 nan 8.230 nan 0.000 0.432 297 N N -0.463 118.266 118.700 0.049 0.000 2.142 297 N HA -0.185 4.555 4.740 -0.000 0.000 0.186 297 N C 1.810 177.331 175.510 0.019 0.000 1.023 297 N CA 1.549 54.621 53.050 0.037 0.000 0.852 297 N CB -0.280 38.228 38.487 0.034 0.000 0.998 297 N HN 0.584 nan 8.380 nan 0.000 0.424 298 Q N 0.414 120.218 119.800 0.006 0.000 2.170 298 Q HA 0.009 4.349 4.340 -0.000 0.000 0.203 298 Q C 2.129 178.115 176.000 -0.022 0.000 0.976 298 Q CA 0.734 56.526 55.803 -0.019 0.000 0.858 298 Q CB -0.017 28.699 28.738 -0.037 0.000 0.907 298 Q HN 0.381 nan 8.270 nan 0.000 0.433 299 L N -0.290 120.928 121.223 -0.008 0.000 2.131 299 L HA -0.143 4.196 4.340 -0.000 0.000 0.206 299 L C 2.044 178.936 176.870 0.038 0.000 1.087 299 L CA 0.261 55.113 54.840 0.019 0.000 0.767 299 L CB -0.206 41.870 42.059 0.028 0.000 0.917 299 L HN 0.225 nan 8.230 nan 0.000 0.441 300 L N -0.111 121.131 121.223 0.032 0.000 2.131 300 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 300 L C 2.102 178.990 176.870 0.030 0.000 1.092 300 L CA 1.678 56.542 54.840 0.040 0.000 0.759 300 L CB -0.759 41.331 42.059 0.050 0.000 0.903 300 L HN 0.230 nan 8.230 nan 0.000 0.435 301 D N -0.920 119.490 120.400 0.016 0.000 2.183 301 D HA -0.096 4.543 4.640 -0.000 0.000 0.203 301 D C 2.239 178.540 176.300 0.001 0.000 0.969 301 D CA 0.976 54.978 54.000 0.004 0.000 0.842 301 D CB 0.055 40.847 40.800 -0.013 0.000 0.957 301 D HN 0.305 nan 8.370 nan 0.000 0.484 302 L N 0.618 121.843 121.223 0.003 0.000 2.395 302 L HA -0.069 4.271 4.340 -0.000 0.000 0.218 302 L C 2.410 179.334 176.870 0.089 0.000 1.130 302 L CA 0.220 55.072 54.840 0.020 0.000 0.826 302 L CB -0.277 41.792 42.059 0.018 0.000 0.941 302 L HN -0.068 nan 8.230 nan 0.000 0.451 303 Q N 0.849 120.688 119.800 0.065 0.000 2.028 303 Q HA -0.239 4.101 4.340 -0.000 0.000 0.213 303 Q C -0.103 175.932 176.000 0.057 0.000 1.017 303 Q CA 2.573 58.410 55.803 0.056 0.000 0.875 303 Q CB -1.462 27.299 28.738 0.039 0.000 0.962 303 Q HN 0.376 nan 8.270 nan 0.000 0.413 304 P HA -0.064 nan 4.420 nan 0.000 0.214 304 P C 0.704 178.047 177.300 0.072 0.000 1.162 304 P CA 1.826 64.954 63.100 0.047 0.000 0.874 304 P CB -0.172 31.549 31.700 0.035 0.000 0.784 305 S N -2.086 113.668 115.700 0.090 0.000 2.699 305 S HA 0.200 4.670 4.470 -0.000 0.000 0.251 305 S C 0.179 174.956 174.600 0.296 0.000 1.179 305 S CA -0.024 58.259 58.200 0.138 0.000 1.200 305 S CB -1.128 62.130 63.200 0.097 0.000 0.848 305 S HN 0.165 nan 8.310 nan 0.000 0.472 306 H N -1.076 118.019 119.070 0.042 0.000 2.100 306 H HA 0.190 4.746 4.556 -0.000 0.000 0.144 306 H C 0.394 175.749 175.328 0.044 0.000 1.025 306 H CA 0.158 56.238 56.048 0.054 0.000 0.568 306 H CB -0.538 29.257 29.762 0.056 0.000 0.881 306 H HN 0.448 nan 8.280 nan 0.000 0.374 307 S N 0.941 116.701 115.700 0.099 0.000 2.555 307 S HA 0.368 4.838 4.470 -0.000 0.000 0.264 307 S C 0.298 174.869 174.600 -0.048 0.000 1.378 307 S CA 0.993 59.205 58.200 0.021 0.000 0.996 307 S CB 0.214 63.417 63.200 0.006 0.000 0.869 307 S HN 0.878 nan 8.310 nan 0.000 0.546 308 S N 1.010 116.637 115.700 -0.121 0.000 2.712 308 S HA 0.310 4.780 4.470 -0.000 0.000 0.279 308 S C -2.741 171.656 174.600 -0.339 0.000 1.025 308 S CA -0.544 57.537 58.200 -0.198 0.000 0.861 308 S CB 0.866 63.883 63.200 -0.305 0.000 1.091 308 S HN 0.472 nan 8.310 nan 0.000 0.457 309 P HA -0.108 nan 4.420 nan 0.000 0.219 309 P C 1.031 177.991 177.300 -0.566 0.000 1.146 309 P CA 1.356 64.161 63.100 -0.491 0.000 0.808 309 P CB -0.356 31.048 31.700 -0.492 0.000 0.779 310 Y N -0.246 119.780 120.300 -0.456 0.000 2.200 310 Y HA -0.126 4.424 4.550 -0.000 0.000 0.290 310 Y C 2.654 177.905 175.900 -1.082 0.000 1.137 310 Y CA 0.261 57.869 58.100 -0.821 0.000 1.163 310 Y CB -1.272 36.347 38.460 -1.401 0.000 0.988 310 Y HN -0.110 nan 8.280 nan 0.000 0.518 311 L N 0.123 120.793 121.223 -0.922 0.000 2.027 311 L HA -0.159 4.181 4.340 -0.000 0.000 0.206 311 L C 2.007 178.734 176.870 -0.239 0.000 1.074 311 L CA 1.520 55.990 54.840 -0.616 0.000 0.745 311 L CB -0.810 41.130 42.059 -0.198 0.000 0.898 311 L HN 0.140 nan 8.230 nan 0.000 0.433 312 I N 0.271 120.697 120.570 -0.239 0.000 2.226 312 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 312 I C 2.677 178.678 176.117 -0.194 0.000 1.100 312 I CA 1.452 62.635 61.300 -0.194 0.000 1.374 312 I CB -1.984 35.868 38.000 -0.246 0.000 1.057 312 I HN 0.363 nan 8.210 nan 0.000 0.413 313 A N 0.255 122.962 122.820 -0.188 0.000 1.930 313 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 313 A C 2.325 179.957 177.584 0.079 0.000 1.175 313 A CA 1.152 53.175 52.037 -0.022 0.000 0.627 313 A CB -1.046 18.066 19.000 0.187 0.000 0.815 313 A HN 0.355 nan 8.150 nan 0.000 0.443 314 F N 0.415 120.312 119.950 -0.089 0.000 2.171 314 F HA -0.119 4.407 4.527 -0.000 0.000 0.300 314 F C 1.971 177.730 175.800 -0.069 0.000 1.090 314 F CA 1.449 59.442 58.000 -0.012 0.000 1.293 314 F CB -0.079 38.958 39.000 0.061 0.000 1.013 314 F HN 0.129 nan 8.300 nan 0.000 0.486 315 L N -0.892 120.384 121.223 0.088 0.000 2.046 315 L HA -0.242 4.097 4.340 -0.000 0.000 0.208 315 L C 2.295 178.961 176.870 -0.340 0.000 1.077 315 L CA 0.936 55.666 54.840 -0.184 0.000 0.747 315 L CB -0.835 41.113 42.059 -0.186 0.000 0.896 315 L HN 0.003 nan 8.230 nan 0.000 0.432 316 V N -0.288 119.566 119.914 -0.100 0.000 2.343 316 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 316 V C 2.117 178.234 176.094 0.039 0.000 1.051 316 V CA 1.800 64.125 62.300 0.043 0.000 1.036 316 V CB -0.550 31.327 31.823 0.091 0.000 0.654 316 V HN 0.453 nan 8.190 nan 0.000 0.451 317 D N 0.148 120.535 120.400 -0.022 0.000 2.123 317 D HA -0.149 4.491 4.640 -0.000 0.000 0.196 317 D C 2.095 178.329 176.300 -0.110 0.000 0.992 317 D CA 1.445 55.394 54.000 -0.085 0.000 0.833 317 D CB -0.126 40.510 40.800 -0.274 0.000 0.954 317 D HN 0.409 nan 8.370 nan 0.000 0.455 318 I N 0.068 120.540 120.570 -0.163 0.000 2.179 318 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 318 I C 2.346 178.453 176.117 -0.016 0.000 1.088 318 I CA 1.053 62.290 61.300 -0.105 0.000 1.357 318 I CB -0.412 37.507 38.000 -0.136 0.000 1.051 318 I HN 0.037 nan 8.210 nan 0.000 0.409 319 Y N 1.030 121.338 120.300 0.014 0.000 2.207 319 Y HA -0.263 4.287 4.550 -0.000 0.000 0.287 319 Y C 2.629 178.501 175.900 -0.047 0.000 1.156 319 Y CA 0.807 58.896 58.100 -0.018 0.000 1.182 319 Y CB -0.239 38.210 38.460 -0.019 0.000 0.979 319 Y HN 0.224 nan 8.280 nan 0.000 0.521 320 E N 0.198 120.473 120.200 0.125 0.000 2.038 320 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 320 E C 1.617 178.238 176.600 0.035 0.000 1.000 320 E CA 1.626 58.065 56.400 0.066 0.000 0.803 320 E CB -0.185 29.557 29.700 0.069 0.000 0.750 320 E HN 0.395 nan 8.360 nan 0.000 0.448 321 D N -0.008 120.413 120.400 0.035 0.000 2.144 321 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 321 D C 1.950 178.264 176.300 0.023 0.000 0.978 321 D CA 1.048 55.067 54.000 0.031 0.000 0.833 321 D CB 0.102 40.920 40.800 0.029 0.000 0.961 321 D HN 0.061 nan 8.370 nan 0.000 0.470 322 M N -0.447 119.173 119.600 0.033 0.000 2.080 322 M HA -0.151 4.329 4.480 -0.000 0.000 0.260 322 M C 2.201 178.473 176.300 -0.048 0.000 1.068 322 M CA 1.173 56.487 55.300 0.023 0.000 1.109 322 M CB -0.284 32.367 32.600 0.084 0.000 1.342 322 M HN 0.122 nan 8.290 nan 0.000 0.405 323 L N -0.562 120.573 121.223 -0.146 0.000 2.191 323 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 323 L C 2.211 178.932 176.870 -0.249 0.000 1.103 323 L CA 0.864 55.461 54.840 -0.405 0.000 0.769 323 L CB -0.526 40.971 42.059 -0.936 0.000 0.908 323 L HN 0.254 nan 8.230 nan 0.000 0.438 324 E N 0.111 120.290 120.200 -0.034 0.000 2.427 324 E HA -0.078 4.272 4.350 -0.000 0.000 0.196 324 E C 0.890 177.533 176.600 0.071 0.000 1.028 324 E CA 0.532 57.009 56.400 0.128 0.000 0.864 324 E CB 0.162 29.925 29.700 0.105 0.000 0.813 324 E HN 0.313 nan 8.360 nan 0.000 0.514 325 N N 1.073 119.789 118.700 0.026 0.000 2.401 325 N HA 0.013 4.753 4.740 -0.000 0.000 0.264 325 N C -0.847 174.670 175.510 0.011 0.000 1.238 325 N CA 0.014 53.076 53.050 0.020 0.000 0.889 325 N CB 0.870 39.364 38.487 0.011 0.000 1.196 325 N HN -0.020 nan 8.380 nan 0.000 0.511 326 Q N -0.443 119.366 119.800 0.016 0.000 2.443 326 Q HA -0.172 4.168 4.340 -0.000 0.000 0.337 326 Q C 0.538 176.536 176.000 -0.004 0.000 1.401 326 Q CA 0.466 56.276 55.803 0.011 0.000 0.943 326 Q CB -2.939 25.809 28.738 0.016 0.000 1.177 326 Q HN 0.652 nan 8.270 nan 0.000 0.394 327 C N -2.144 117.145 119.300 -0.017 0.000 2.639 327 C HA 0.579 5.039 4.460 -0.000 0.000 0.360 327 C C 0.932 175.912 174.990 -0.016 0.000 1.351 327 C CA -0.972 58.038 59.018 -0.014 0.000 2.408 327 C CB 0.856 28.587 27.740 -0.015 0.000 2.517 327 C HN 0.512 nan 8.230 nan 0.000 0.696 328 D N 1.135 121.529 120.400 -0.011 0.000 2.313 328 D HA 0.161 4.801 4.640 -0.000 0.000 0.247 328 D C 0.076 176.363 176.300 -0.022 0.000 1.094 328 D CA 0.509 54.501 54.000 -0.012 0.000 0.925 328 D CB 0.421 41.218 40.800 -0.006 0.000 1.188 328 D HN 0.738 nan 8.370 nan 0.000 0.430 329 N N 1.811 120.496 118.700 -0.025 0.000 2.738 329 N HA -0.207 4.533 4.740 -0.000 0.000 0.249 329 N C 0.797 176.274 175.510 -0.055 0.000 1.047 329 N CA 0.416 53.444 53.050 -0.037 0.000 0.707 329 N CB -0.655 37.810 38.487 -0.037 0.000 0.937 329 N HN 0.441 nan 8.380 nan 0.000 0.545 330 K N 1.226 121.597 120.400 -0.049 0.000 2.034 330 K HA -0.146 4.174 4.320 -0.000 0.000 0.214 330 K C 1.672 178.228 176.600 -0.073 0.000 1.051 330 K CA 1.617 57.866 56.287 -0.063 0.000 0.931 330 K CB 0.027 32.506 32.500 -0.035 0.000 0.715 330 K HN 0.244 nan 8.250 nan 0.000 0.446 331 E N 0.399 120.567 120.200 -0.052 0.000 2.085 331 E HA -0.221 4.129 4.350 -0.000 0.000 0.194 331 E C 1.894 178.446 176.600 -0.080 0.000 0.994 331 E CA 1.602 57.971 56.400 -0.053 0.000 0.801 331 E CB -0.482 29.195 29.700 -0.038 0.000 0.743 331 E HN 0.473 nan 8.360 nan 0.000 0.453 332 D N 0.129 120.477 120.400 -0.087 0.000 2.117 332 D HA -0.119 4.521 4.640 -0.000 0.000 0.198 332 D C 1.859 178.046 176.300 -0.189 0.000 0.982 332 D CA 0.663 54.596 54.000 -0.112 0.000 0.828 332 D CB 0.045 40.790 40.800 -0.091 0.000 0.967 332 D HN -0.005 nan 8.370 nan 0.000 0.464 333 I N 0.496 120.939 120.570 -0.212 0.000 2.252 333 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 333 I C 2.328 178.241 176.117 -0.340 0.000 1.102 333 I CA 0.597 61.684 61.300 -0.355 0.000 1.385 333 I CB -1.106 36.749 38.000 -0.240 0.000 1.064 333 I HN 0.226 nan 8.210 nan 0.000 0.414 334 L N 1.605 122.710 121.223 -0.198 0.000 2.017 334 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 334 L C 2.168 178.962 176.870 -0.126 0.000 1.073 334 L CA 1.889 56.649 54.840 -0.133 0.000 0.745 334 L CB -0.965 41.053 42.059 -0.069 0.000 0.894 334 L HN 0.209 nan 8.230 nan 0.000 0.432 335 N N -0.212 118.411 118.700 -0.127 0.000 2.120 335 N HA -0.168 4.572 4.740 -0.000 0.000 0.188 335 N C 1.715 177.147 175.510 -0.130 0.000 1.024 335 N CA 1.182 54.169 53.050 -0.105 0.000 0.852 335 N CB -0.217 38.217 38.487 -0.089 0.000 1.003 335 N HN 0.384 nan 8.380 nan 0.000 0.424 336 K N 1.328 121.597 120.400 -0.218 0.000 2.002 336 K HA -0.004 4.316 4.320 -0.000 0.000 0.209 336 K C 2.078 178.585 176.600 -0.155 0.000 1.048 336 K CA 1.046 57.187 56.287 -0.244 0.000 0.930 336 K CB -0.640 31.544 32.500 -0.526 0.000 0.714 336 K HN 0.133 nan 8.250 nan 0.000 0.438 337 A N 1.796 124.500 122.820 -0.194 0.000 1.883 337 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 337 A C 2.394 179.978 177.584 0.000 0.000 1.186 337 A CA 1.407 53.457 52.037 0.023 0.000 0.624 337 A CB -0.760 18.264 19.000 0.041 0.000 0.822 337 A HN 0.194 nan 8.150 nan 0.000 0.444 338 L N -0.903 120.299 121.223 -0.035 0.000 2.083 338 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 338 L C 2.607 179.454 176.870 -0.037 0.000 1.083 338 L CA 1.617 56.440 54.840 -0.027 0.000 0.752 338 L CB -0.616 41.424 42.059 -0.032 0.000 0.899 338 L HN 0.490 nan 8.230 nan 0.000 0.433 339 E N 0.173 120.344 120.200 -0.048 0.000 2.077 339 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 339 E C 2.333 178.893 176.600 -0.067 0.000 0.989 339 E CA 1.084 57.454 56.400 -0.050 0.000 0.800 339 E CB -0.101 29.571 29.700 -0.048 0.000 0.746 339 E HN 0.459 nan 8.360 nan 0.000 0.452 340 L N 0.273 121.456 121.223 -0.066 0.000 2.093 340 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 340 L C 2.584 179.309 176.870 -0.241 0.000 1.085 340 L CA 0.573 55.336 54.840 -0.128 0.000 0.755 340 L CB -0.417 41.594 42.059 -0.080 0.000 0.904 340 L HN 0.318 nan 8.230 nan 0.000 0.435 341 C N -0.394 118.803 119.300 -0.171 0.000 2.425 341 C HA -0.136 4.324 4.460 -0.000 0.000 0.277 341 C C 2.810 177.731 174.990 -0.116 0.000 1.280 341 C CA 0.531 59.456 59.018 -0.156 0.000 1.744 341 C CB -0.607 27.156 27.740 0.038 0.000 1.989 341 C HN 0.483 nan 8.230 nan 0.000 0.491 342 E N 0.755 120.909 120.200 -0.076 0.000 2.072 342 E HA -0.095 4.254 4.350 -0.000 0.000 0.191 342 E C 2.022 178.574 176.600 -0.081 0.000 0.985 342 E CA 1.144 57.515 56.400 -0.049 0.000 0.801 342 E CB -0.308 29.370 29.700 -0.037 0.000 0.750 342 E HN 0.624 nan 8.360 nan 0.000 0.452 343 I N 0.661 121.158 120.570 -0.122 0.000 2.226 343 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 343 I C 2.471 178.479 176.117 -0.181 0.000 1.100 343 I CA 0.790 62.011 61.300 -0.131 0.000 1.374 343 I CB -0.213 37.706 38.000 -0.135 0.000 1.057 343 I HN 0.087 nan 8.210 nan 0.000 0.413 344 L N 0.341 121.370 121.223 -0.324 0.000 2.056 344 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 344 L C 2.821 179.583 176.870 -0.180 0.000 1.078 344 L CA 1.356 55.925 54.840 -0.451 0.000 0.749 344 L CB -0.666 40.660 42.059 -1.222 0.000 0.901 344 L HN 0.216 nan 8.230 nan 0.000 0.433 345 A N -0.111 122.668 122.820 -0.069 0.000 1.898 345 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 345 A C 2.304 179.923 177.584 0.057 0.000 1.181 345 A CA 2.039 54.144 52.037 0.113 0.000 0.620 345 A CB -0.304 18.779 19.000 0.138 0.000 0.819 345 A HN 0.234 nan 8.150 nan 0.000 0.442 346 K N -0.944 119.459 120.400 0.005 0.000 2.284 346 K HA 0.078 4.398 4.320 -0.000 0.000 0.198 346 K C 1.722 178.316 176.600 -0.010 0.000 1.048 346 K CA 1.553 57.840 56.287 0.001 0.000 0.987 346 K CB 0.118 32.613 32.500 -0.009 0.000 0.800 346 K HN 0.591 nan 8.250 nan 0.000 0.486 347 E N -1.076 119.105 120.200 -0.032 0.000 2.940 347 E HA 0.060 4.410 4.350 -0.000 0.000 0.203 347 E C 1.047 177.618 176.600 -0.047 0.000 0.995 347 E CA -0.016 56.363 56.400 -0.036 0.000 1.396 347 E CB 0.288 29.962 29.700 -0.042 0.000 1.310 347 E HN 0.012 nan 8.360 nan 0.000 0.613 348 K N 0.053 120.404 120.400 -0.082 0.000 2.305 348 K HA 0.001 4.321 4.320 -0.000 0.000 0.199 348 K C 0.015 176.559 176.600 -0.094 0.000 1.047 348 K CA 0.968 57.193 56.287 -0.103 0.000 0.976 348 K CB 0.322 32.730 32.500 -0.153 0.000 0.765 348 K HN -0.042 nan 8.250 nan 0.000 0.474 349 D N -0.070 120.302 120.400 -0.047 0.000 3.216 349 D HA -0.006 4.634 4.640 -0.000 0.000 0.348 349 D C 0.759 177.147 176.300 0.146 0.000 1.407 349 D CA 0.006 54.037 54.000 0.053 0.000 0.744 349 D CB 0.307 41.185 40.800 0.131 0.000 1.264 349 D HN 0.058 nan 8.370 nan 0.000 0.543 350 T N -1.696 112.906 114.554 0.080 0.000 2.849 350 T HA -0.216 4.133 4.350 -0.000 0.000 0.270 350 T C 1.960 176.719 174.700 0.098 0.000 1.066 350 T CA 0.648 62.802 62.100 0.090 0.000 1.130 350 T CB -0.203 68.692 68.868 0.046 0.000 0.864 350 T HN 0.242 nan 8.240 nan 0.000 0.481 351 I N 1.113 121.731 120.570 0.080 0.000 2.567 351 I HA 0.038 4.208 4.170 -0.000 0.000 0.257 351 I C 2.028 178.189 176.117 0.072 0.000 1.184 351 I CA 1.049 62.385 61.300 0.059 0.000 1.451 351 I CB -0.239 37.784 38.000 0.039 0.000 1.089 351 I HN 0.131 nan 8.210 nan 0.000 0.441 352 R N -0.084 120.497 120.500 0.135 0.000 2.609 352 R HA 0.100 4.440 4.340 -0.000 0.000 0.326 352 R C 1.745 178.180 176.300 0.225 0.000 1.090 352 R CA -0.013 56.161 56.100 0.123 0.000 1.072 352 R CB 0.104 30.439 30.300 0.060 0.000 1.330 352 R HN 0.400 nan 8.270 nan 0.000 0.572 353 K N 0.257 120.784 120.400 0.212 0.000 2.074 353 K HA -0.179 4.141 4.320 -0.000 0.000 0.209 353 K C 1.147 177.849 176.600 0.172 0.000 1.048 353 K CA 1.266 57.681 56.287 0.215 0.000 0.926 353 K CB 0.032 32.610 32.500 0.130 0.000 0.713 353 K HN -0.011 nan 8.250 nan 0.000 0.444 354 E N 0.372 120.639 120.200 0.112 0.000 2.106 354 E HA -0.181 4.169 4.350 -0.000 0.000 0.192 354 E C 1.941 178.596 176.600 0.092 0.000 0.984 354 E CA 1.110 57.561 56.400 0.085 0.000 0.806 354 E CB -0.373 29.355 29.700 0.047 0.000 0.750 354 E HN 0.517 nan 8.360 nan 0.000 0.458 355 Y N -0.334 119.916 120.300 -0.084 0.000 2.163 355 Y HA -0.214 4.336 4.550 -0.000 0.000 0.288 355 Y C 2.037 177.854 175.900 -0.137 0.000 1.136 355 Y CA 1.673 59.660 58.100 -0.190 0.000 1.147 355 Y CB -0.662 37.529 38.460 -0.449 0.000 0.987 355 Y HN 0.011 nan 8.280 nan 0.000 0.509 356 W N 0.445 121.760 121.300 0.024 0.000 2.388 356 W HA -0.145 4.515 4.660 -0.000 0.000 0.294 356 W C 2.366 178.828 176.519 -0.094 0.000 1.212 356 W CA 0.593 57.887 57.345 -0.084 0.000 1.271 356 W CB -0.091 29.386 29.460 0.029 0.000 1.126 356 W HN -0.151 nan 8.180 nan 0.000 0.535 357 R N -0.389 120.211 120.500 0.167 0.000 2.075 357 R HA -0.185 4.155 4.340 -0.000 0.000 0.232 357 R C 1.891 178.216 176.300 0.041 0.000 1.126 357 R CA 1.406 57.564 56.100 0.096 0.000 0.963 357 R CB -1.661 28.693 30.300 0.090 0.000 0.858 357 R HN 0.380 nan 8.270 nan 0.000 0.435 358 Y N 1.568 121.808 120.300 -0.099 0.000 2.145 358 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 358 Y C 2.069 177.870 175.900 -0.164 0.000 1.145 358 Y CA 1.270 59.287 58.100 -0.138 0.000 1.148 358 Y CB -0.303 38.046 38.460 -0.185 0.000 0.981 358 Y HN -0.154 nan 8.280 nan 0.000 0.507 359 I N 0.616 120.937 120.570 -0.415 0.000 2.208 359 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 359 I C 2.670 178.657 176.117 -0.216 0.000 1.097 359 I CA 1.604 62.660 61.300 -0.406 0.000 1.363 359 I CB -2.032 35.828 38.000 -0.234 0.000 1.051 359 I HN 0.450 nan 8.210 nan 0.000 0.413 360 G N 0.881 109.625 108.800 -0.093 0.000 2.421 360 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.216 360 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.216 360 G C 1.869 176.713 174.900 -0.093 0.000 1.171 360 G CA 0.361 45.432 45.100 -0.048 0.000 0.775 360 G HN 0.326 nan 8.290 nan 0.000 0.543 361 R N 0.450 120.871 120.500 -0.131 0.000 2.096 361 R HA -0.017 4.323 4.340 -0.000 0.000 0.235 361 R C 2.983 179.169 176.300 -0.189 0.000 1.127 361 R CA 1.344 57.367 56.100 -0.129 0.000 0.968 361 R CB -0.358 29.886 30.300 -0.094 0.000 0.861 361 R HN 0.325 nan 8.270 nan 0.000 0.440 362 S N 1.511 117.004 115.700 -0.344 0.000 2.356 362 S HA -0.093 4.377 4.470 -0.000 0.000 0.223 362 S C 2.051 176.549 174.600 -0.171 0.000 1.032 362 S CA 1.029 59.029 58.200 -0.334 0.000 1.005 362 S CB -0.260 62.627 63.200 -0.523 0.000 0.867 362 S HN 0.194 nan 8.310 nan 0.000 0.449 363 L N 1.300 122.460 121.223 -0.106 0.000 2.043 363 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 363 L C 2.801 179.694 176.870 0.039 0.000 1.075 363 L CA 1.452 56.317 54.840 0.042 0.000 0.752 363 L CB -0.550 41.536 42.059 0.045 0.000 0.891 363 L HN 0.379 nan 8.230 nan 0.000 0.432 364 Q N -0.686 119.098 119.800 -0.026 0.000 2.119 364 Q HA -0.160 4.180 4.340 -0.000 0.000 0.201 364 Q C 2.401 178.365 176.000 -0.059 0.000 0.972 364 Q CA 1.741 57.527 55.803 -0.028 0.000 0.847 364 Q CB -0.043 28.674 28.738 -0.034 0.000 0.903 364 Q HN 0.616 nan 8.270 nan 0.000 0.433 365 S N 0.063 115.707 115.700 -0.093 0.000 2.453 365 S HA -0.037 4.433 4.470 -0.000 0.000 0.231 365 S C 1.550 176.056 174.600 -0.156 0.000 1.005 365 S CA 0.632 58.770 58.200 -0.103 0.000 0.949 365 S CB 0.092 63.234 63.200 -0.096 0.000 0.774 365 S HN 0.211 nan 8.310 nan 0.000 0.510 366 K N -0.169 120.079 120.400 -0.254 0.000 2.308 366 K HA 0.259 4.579 4.320 -0.000 0.000 0.197 366 K C 0.044 176.218 176.600 -0.711 0.000 1.049 366 K CA 0.478 56.457 56.287 -0.513 0.000 0.991 366 K CB 0.205 32.275 32.500 -0.716 0.000 0.836 366 K HN 0.554 nan 8.250 nan 0.000 0.500 367 H N 0.000 119.050 119.070 -0.033 0.000 2.539 367 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 367 H CA 0.000 56.031 56.048 -0.028 0.000 1.023 367 H CB 0.000 29.746 29.762 -0.027 0.000 1.292 367 H HN 0.000 nan 8.280 nan 0.000 0.496