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 2inu_1_C DATA FIRST_RESID 52 DATA SEQUENCE PNTYDVTTWR IKAHPEVTAQ SDIGAVINDI IADIKQRQTS PDARPGAAII DATA SEQUENCE IPPGDYDLHT QVVVDVSYLT IAGFGHGFFS RSILDNSNPT GWQNLQPGAS DATA SEQUENCE HIRVLTSPSA PQAFLVKRAG DPRLSGIVFR DFCLDGVGFT PGKNSYHNGK DATA SEQUENCE TGIEVASDND SFHITGXGFV YLEHALIVRG ADALRVNDNX IAECGNCVEL DATA SEQUENCE TGAGQATIVS GNHXGAGPDG VTLLAENHEG LLVTGNNLFP RGRSLIEFTG DATA SEQUENCE CNRCSVTSNR LQGFYPGXLR LLNGCKENLI TANHIRRTNE GYPPFIGRGN DATA SEQUENCE GLDDLYGVVH IAGDNNLISD NLFAYNVPPA NIAPAGAQPT QILIAGGDAN DATA SEQUENCE VVALNHVVSD VASQHVVLDA STTHSKVLDS GTASQITSYS SDTAIRPTP 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 52 P HA 0.000 nan 4.420 nan 0.000 0.216 52 P C 0.000 177.238 177.300 -0.103 0.000 1.155 52 P CA 0.000 63.047 63.100 -0.088 0.000 0.800 52 P CB 0.000 31.669 31.700 -0.052 0.000 0.726 53 N N -0.710 117.896 118.700 -0.155 0.000 2.741 53 N HA -0.107 4.634 4.740 0.001 0.000 0.251 53 N C -0.652 174.800 175.510 -0.097 0.000 1.112 53 N CA 1.357 54.340 53.050 -0.111 0.000 0.750 53 N CB -0.709 37.767 38.487 -0.019 0.000 1.119 53 N HN 0.449 nan 8.380 nan 0.000 0.561 54 T N 0.326 114.749 114.554 -0.218 0.000 2.812 54 T HA 0.541 4.892 4.350 0.001 0.000 0.282 54 T C -0.881 173.702 174.700 -0.195 0.000 0.990 54 T CA -0.337 61.703 62.100 -0.100 0.000 0.960 54 T CB 0.967 69.798 68.868 -0.062 0.000 0.948 54 T HN 0.076 nan 8.240 nan 0.000 0.438 55 Y N 0.871 121.116 120.300 -0.092 0.000 2.562 55 Y HA 0.595 5.146 4.550 0.001 0.000 0.343 55 Y C 0.011 175.880 175.900 -0.051 0.000 1.025 55 Y CA -1.507 56.540 58.100 -0.089 0.000 1.082 55 Y CB 1.380 39.692 38.460 -0.247 0.000 1.264 55 Y HN 0.476 nan 8.280 nan 0.000 0.478 56 D N 0.848 121.353 120.400 0.176 0.000 2.492 56 D HA 0.223 4.863 4.640 0.001 0.000 0.248 56 D C 0.835 177.204 176.300 0.115 0.000 1.101 56 D CA -0.390 53.682 54.000 0.119 0.000 0.840 56 D CB 2.254 43.131 40.800 0.130 0.000 1.209 56 D HN 0.476 nan 8.370 nan 0.000 0.524 57 V N 2.360 122.284 119.914 0.016 0.000 2.453 57 V HA -0.220 3.901 4.120 0.001 0.000 0.252 57 V C 2.040 178.179 176.094 0.075 0.000 1.068 57 V CA 2.458 64.752 62.300 -0.011 0.000 1.070 57 V CB -1.777 29.928 31.823 -0.196 0.000 0.664 57 V HN 0.719 nan 8.190 nan 0.000 0.461 58 T N -0.826 113.781 114.554 0.089 0.000 2.995 58 T HA -0.119 4.232 4.350 0.001 0.000 0.269 58 T C 1.668 176.454 174.700 0.144 0.000 1.091 58 T CA 1.690 63.871 62.100 0.136 0.000 1.128 58 T CB -0.816 68.147 68.868 0.158 0.000 0.891 58 T HN 0.790 nan 8.240 nan 0.000 0.492 59 T N -3.593 111.063 114.554 0.170 0.000 3.044 59 T HA 0.128 4.479 4.350 0.001 0.000 0.250 59 T C 0.465 175.290 174.700 0.208 0.000 1.081 59 T CA -0.726 61.471 62.100 0.161 0.000 1.040 59 T CB -0.317 68.642 68.868 0.152 0.000 0.962 59 T HN 0.568 nan 8.240 nan 0.000 0.506 60 W N 5.378 126.718 121.300 0.066 0.000 2.416 60 W HA 0.404 5.065 4.660 0.001 0.000 0.318 60 W C -0.201 176.352 176.519 0.057 0.000 1.150 60 W CA -1.161 56.231 57.345 0.078 0.000 1.392 60 W CB 0.545 30.075 29.460 0.115 0.000 1.311 60 W HN 0.246 nan 8.180 nan 0.000 0.436 61 R N 5.395 125.631 120.500 -0.439 0.000 2.410 61 R HA 0.515 4.856 4.340 0.001 0.000 0.288 61 R C -0.562 175.453 176.300 -0.475 0.000 1.051 61 R CA -0.629 55.276 56.100 -0.326 0.000 1.021 61 R CB 1.205 31.370 30.300 -0.225 0.000 1.032 61 R HN 0.463 nan 8.270 nan 0.000 0.481 62 I N 3.786 124.265 120.570 -0.152 0.000 2.322 62 I HA 0.016 4.187 4.170 0.001 0.000 0.292 62 I C 1.541 177.629 176.117 -0.050 0.000 1.060 62 I CA -0.211 61.070 61.300 -0.032 0.000 1.309 62 I CB 1.308 39.379 38.000 0.117 0.000 1.415 62 I HN 0.866 nan 8.210 nan 0.000 0.492 63 K N 5.319 125.666 120.400 -0.089 0.000 2.089 63 K HA -0.238 4.082 4.320 0.001 0.000 0.210 63 K C 1.772 178.336 176.600 -0.062 0.000 1.048 63 K CA 2.088 58.323 56.287 -0.085 0.000 0.926 63 K CB 0.092 32.549 32.500 -0.071 0.000 0.714 63 K HN 0.809 nan 8.250 nan 0.000 0.448 64 A N -0.382 122.428 122.820 -0.016 0.000 2.178 64 A HA 0.029 4.350 4.320 0.001 0.000 0.211 64 A C -0.194 177.091 177.584 -0.500 0.000 1.157 64 A CA 0.416 52.350 52.037 -0.172 0.000 0.780 64 A CB -0.036 18.916 19.000 -0.080 0.000 0.828 64 A HN 0.406 nan 8.150 nan 0.000 0.476 65 H N -1.687 117.373 119.070 -0.016 0.000 2.429 65 H HA 0.294 4.850 4.556 0.001 0.000 0.231 65 H C -2.345 172.972 175.328 -0.017 0.000 1.416 65 H CA -1.408 54.633 56.048 -0.011 0.000 1.443 65 H CB 0.625 30.388 29.762 0.001 0.000 1.591 65 H HN 0.090 nan 8.280 nan 0.000 0.507 66 P HA -0.209 nan 4.420 nan 0.000 0.216 66 P C 1.314 178.626 177.300 0.019 0.000 1.150 66 P CA 1.331 64.429 63.100 -0.003 0.000 0.843 66 P CB 0.502 32.182 31.700 -0.033 0.000 0.787 67 E N -1.055 119.164 120.200 0.032 0.000 2.476 67 E HA 0.030 4.380 4.350 0.001 0.000 0.191 67 E C -0.311 176.319 176.600 0.050 0.000 1.064 67 E CA 0.014 56.435 56.400 0.034 0.000 0.866 67 E CB -0.277 29.438 29.700 0.024 0.000 0.952 67 E HN -0.101 nan 8.360 nan 0.000 0.492 68 V N 2.621 122.577 119.914 0.069 0.000 2.313 68 V HA 0.156 4.277 4.120 0.001 0.000 0.252 68 V C 0.476 176.615 176.094 0.076 0.000 1.112 68 V CA 0.118 62.459 62.300 0.069 0.000 0.984 68 V CB 0.027 31.893 31.823 0.072 0.000 1.157 68 V HN 0.289 nan 8.190 nan 0.000 0.493 69 T N 1.784 116.386 114.554 0.079 0.000 2.923 69 T HA 0.631 4.981 4.350 0.001 0.000 0.281 69 T C 1.433 176.202 174.700 0.115 0.000 0.995 69 T CA -0.026 62.132 62.100 0.097 0.000 0.985 69 T CB 1.863 70.789 68.868 0.096 0.000 1.114 69 T HN 0.444 nan 8.240 nan 0.000 0.548 70 A N -0.101 122.798 122.820 0.133 0.000 1.972 70 A HA -0.101 4.220 4.320 0.001 0.000 0.219 70 A C 2.400 180.159 177.584 0.292 0.000 1.169 70 A CA 1.486 53.598 52.037 0.125 0.000 0.635 70 A CB -1.054 17.951 19.000 0.008 0.000 0.810 70 A HN 0.891 nan 8.150 nan 0.000 0.446 71 Q N -0.146 119.825 119.800 0.284 0.000 2.079 71 Q HA -0.139 4.201 4.340 0.001 0.000 0.200 71 Q C 2.521 178.602 176.000 0.136 0.000 0.974 71 Q CA 1.935 57.861 55.803 0.205 0.000 0.840 71 Q CB -0.226 28.573 28.738 0.102 0.000 0.898 71 Q HN 0.864 nan 8.270 nan 0.000 0.430 72 S N -0.500 115.273 115.700 0.121 0.000 2.406 72 S HA -0.048 4.423 4.470 0.001 0.000 0.224 72 S C 0.578 175.276 174.600 0.163 0.000 1.030 72 S CA 0.667 58.937 58.200 0.117 0.000 0.958 72 S CB 0.408 63.654 63.200 0.076 0.000 0.811 72 S HN 0.155 nan 8.310 nan 0.000 0.489 73 D N -0.195 120.281 120.400 0.127 0.000 2.584 73 D HA 0.259 4.900 4.640 0.001 0.000 0.238 73 D C 0.074 176.411 176.300 0.061 0.000 1.302 73 D CA -0.279 53.790 54.000 0.115 0.000 0.884 73 D CB 0.327 41.183 40.800 0.093 0.000 1.456 73 D HN 0.247 nan 8.370 nan 0.000 0.528 74 I N 1.345 121.942 120.570 0.046 0.000 2.567 74 I HA -0.030 4.141 4.170 0.001 0.000 0.257 74 I C 1.765 177.853 176.117 -0.048 0.000 1.184 74 I CA 1.375 62.665 61.300 -0.017 0.000 1.451 74 I CB 0.332 38.287 38.000 -0.075 0.000 1.089 74 I HN 0.394 nan 8.210 nan 0.000 0.441 75 G N 0.287 109.053 108.800 -0.057 0.000 2.404 75 G HA2 -0.256 3.705 3.960 0.001 0.000 0.215 75 G HA3 -0.256 3.705 3.960 0.001 0.000 0.215 75 G C 1.745 176.605 174.900 -0.066 0.000 1.174 75 G CA 0.660 45.693 45.100 -0.111 0.000 0.780 75 G HN 0.528 nan 8.290 nan 0.000 0.537 76 A N 0.174 122.979 122.820 -0.025 0.000 1.902 76 A HA 0.060 4.380 4.320 0.001 0.000 0.217 76 A C 2.615 180.210 177.584 0.018 0.000 1.181 76 A CA 1.887 53.915 52.037 -0.014 0.000 0.623 76 A CB -0.677 18.315 19.000 -0.014 0.000 0.818 76 A HN 0.261 nan 8.150 nan 0.000 0.443 77 V N 0.351 120.287 119.914 0.038 0.000 2.287 77 V HA -0.291 3.829 4.120 0.001 0.000 0.248 77 V C 2.425 178.514 176.094 -0.008 0.000 1.053 77 V CA 2.168 64.522 62.300 0.091 0.000 1.027 77 V CB -0.724 31.151 31.823 0.086 0.000 0.646 77 V HN 0.585 nan 8.190 nan 0.000 0.447 78 I N 0.323 120.849 120.570 -0.072 0.000 2.315 78 I HA -0.190 3.980 4.170 0.001 0.000 0.248 78 I C 2.343 178.381 176.117 -0.131 0.000 1.117 78 I CA 1.239 62.456 61.300 -0.137 0.000 1.404 78 I CB -0.547 37.423 38.000 -0.051 0.000 1.071 78 I HN 0.358 nan 8.210 nan 0.000 0.419 79 N N 0.771 119.429 118.700 -0.069 0.000 2.188 79 N HA -0.213 4.528 4.740 0.001 0.000 0.184 79 N C 1.515 177.002 175.510 -0.038 0.000 1.018 79 N CA 1.539 54.559 53.050 -0.051 0.000 0.858 79 N CB -0.346 38.122 38.487 -0.031 0.000 0.989 79 N HN 0.375 nan 8.380 nan 0.000 0.426 80 D N 0.467 120.875 120.400 0.014 0.000 2.183 80 D HA 0.054 4.694 4.640 0.001 0.000 0.203 80 D C 2.012 178.321 176.300 0.015 0.000 0.969 80 D CA 0.399 54.472 54.000 0.121 0.000 0.842 80 D CB 0.087 41.078 40.800 0.319 0.000 0.957 80 D HN 0.183 nan 8.370 nan 0.000 0.484 81 I N 0.067 120.442 120.570 -0.325 0.000 2.252 81 I HA -0.186 3.984 4.170 0.001 0.000 0.245 81 I C 2.168 177.931 176.117 -0.591 0.000 1.102 81 I CA 0.668 61.432 61.300 -0.893 0.000 1.385 81 I CB -0.103 37.116 38.000 -1.302 0.000 1.064 81 I HN 0.078 nan 8.210 nan 0.000 0.414 82 I N 0.749 121.102 120.570 -0.361 0.000 2.264 82 I HA -0.298 3.872 4.170 0.001 0.000 0.248 82 I C 2.726 178.773 176.117 -0.116 0.000 1.111 82 I CA 1.262 62.430 61.300 -0.219 0.000 1.382 82 I CB -0.464 37.459 38.000 -0.128 0.000 1.060 82 I HN 0.195 nan 8.210 nan 0.000 0.418 83 A N 0.312 123.091 122.820 -0.068 0.000 1.933 83 A HA -0.291 4.030 4.320 0.001 0.000 0.218 83 A C 1.989 179.596 177.584 0.038 0.000 1.175 83 A CA 2.260 54.302 52.037 0.007 0.000 0.628 83 A CB -0.651 18.379 19.000 0.049 0.000 0.814 83 A HN 0.474 nan 8.150 nan 0.000 0.444 84 D N -0.502 119.922 120.400 0.040 0.000 2.183 84 D HA -0.053 4.587 4.640 0.001 0.000 0.203 84 D C 1.705 178.062 176.300 0.095 0.000 0.969 84 D CA 0.935 55.013 54.000 0.130 0.000 0.842 84 D CB -0.157 40.790 40.800 0.245 0.000 0.957 84 D HN 0.492 nan 8.370 nan 0.000 0.484 85 I N 0.199 120.777 120.570 0.013 0.000 2.202 85 I HA -0.202 3.968 4.170 0.001 0.000 0.242 85 I C 2.326 178.466 176.117 0.037 0.000 1.091 85 I CA 0.957 62.281 61.300 0.040 0.000 1.368 85 I CB -0.199 37.782 38.000 -0.032 0.000 1.058 85 I HN -0.018 nan 8.210 nan 0.000 0.410 86 K N 0.198 120.608 120.400 0.017 0.000 2.148 86 K HA -0.235 4.085 4.320 0.001 0.000 0.204 86 K C 2.103 178.727 176.600 0.039 0.000 1.050 86 K CA 1.137 57.438 56.287 0.024 0.000 0.942 86 K CB -0.107 32.402 32.500 0.015 0.000 0.724 86 K HN 0.168 nan 8.250 nan 0.000 0.446 87 Q N 1.339 121.172 119.800 0.054 0.000 2.014 87 Q HA -0.174 4.167 4.340 0.001 0.000 0.207 87 Q C 1.881 177.917 176.000 0.061 0.000 0.993 87 Q CA 1.875 57.718 55.803 0.065 0.000 0.850 87 Q CB 0.065 28.860 28.738 0.095 0.000 0.916 87 Q HN 0.195 nan 8.270 nan 0.000 0.417 88 R N -0.444 120.097 120.500 0.069 0.000 2.062 88 R HA -0.004 4.336 4.340 0.001 0.000 0.229 88 R C 0.533 176.861 176.300 0.047 0.000 1.128 88 R CA 1.070 57.206 56.100 0.060 0.000 0.960 88 R CB -0.026 30.317 30.300 0.071 0.000 0.855 88 R HN 0.362 nan 8.270 nan 0.000 0.432 89 Q N 1.078 120.906 119.800 0.046 0.000 2.571 89 Q HA 0.083 4.423 4.340 0.001 0.000 0.222 89 Q C 0.273 176.295 176.000 0.037 0.000 1.167 89 Q CA -0.094 55.733 55.803 0.041 0.000 0.966 89 Q CB 1.281 30.046 28.738 0.046 0.000 1.274 89 Q HN 0.276 nan 8.270 nan 0.000 0.552 90 T N -3.183 111.391 114.554 0.033 0.000 3.057 90 T HA 0.084 4.434 4.350 0.001 0.000 0.254 90 T C 0.900 175.617 174.700 0.028 0.000 1.094 90 T CA -0.208 61.909 62.100 0.030 0.000 1.088 90 T CB 0.408 69.292 68.868 0.028 0.000 0.934 90 T HN 0.147 nan 8.240 nan 0.000 0.497 91 S N 3.430 119.148 115.700 0.029 0.000 2.465 91 S HA 0.332 4.802 4.470 0.001 0.000 0.279 91 S C -1.848 172.773 174.600 0.035 0.000 1.201 91 S CA -1.082 57.135 58.200 0.028 0.000 1.053 91 S CB 1.489 64.704 63.200 0.025 0.000 0.953 91 S HN 0.132 nan 8.310 nan 0.000 0.488 92 P HA -0.092 nan 4.420 nan 0.000 0.223 92 P C 0.531 177.861 177.300 0.049 0.000 1.144 92 P CA 0.958 64.083 63.100 0.041 0.000 0.783 92 P CB 0.190 31.910 31.700 0.033 0.000 0.771 93 D N -1.743 118.680 120.400 0.038 0.000 2.349 93 D HA 0.167 4.808 4.640 0.001 0.000 0.214 93 D C 0.300 176.619 176.300 0.032 0.000 1.063 93 D CA 0.008 54.029 54.000 0.034 0.000 0.847 93 D CB -0.016 40.798 40.800 0.024 0.000 0.933 93 D HN -0.083 nan 8.370 nan 0.000 0.513 94 A N 0.600 123.442 122.820 0.037 0.000 3.355 94 A HA 0.440 4.760 4.320 0.001 0.000 0.290 94 A C -0.171 177.441 177.584 0.047 0.000 0.973 94 A CA -0.568 51.488 52.037 0.032 0.000 0.933 94 A CB 0.181 19.195 19.000 0.023 0.000 1.138 94 A HN 0.050 nan 8.150 nan 0.000 0.490 95 R N 0.965 121.508 120.500 0.072 0.000 2.681 95 R HA 0.214 4.554 4.340 0.001 0.000 0.277 95 R C -2.273 174.125 176.300 0.164 0.000 1.563 95 R CA -1.261 54.901 56.100 0.102 0.000 1.673 95 R CB 0.984 31.344 30.300 0.100 0.000 1.258 95 R HN 0.247 nan 8.270 nan 0.000 0.650 96 P HA -0.122 nan 4.420 nan 0.000 0.216 96 P C 0.722 178.086 177.300 0.107 0.000 1.150 96 P CA 1.473 64.590 63.100 0.028 0.000 0.837 96 P CB 0.382 32.079 31.700 -0.006 0.000 0.786 97 G N -1.465 107.406 108.800 0.119 0.000 2.451 97 G HA2 0.268 4.229 3.960 0.001 0.000 0.208 97 G HA3 0.268 4.229 3.960 0.001 0.000 0.208 97 G C -0.785 174.148 174.900 0.056 0.000 1.248 97 G CA -0.391 44.772 45.100 0.105 0.000 0.989 97 G HN 0.501 nan 8.290 nan 0.000 0.559 98 A N -1.823 121.017 122.820 0.032 0.000 2.511 98 A HA 1.082 5.402 4.320 0.001 0.000 0.293 98 A C -0.373 177.211 177.584 0.000 0.000 1.098 98 A CA 0.615 52.678 52.037 0.045 0.000 0.643 98 A CB 0.564 19.651 19.000 0.144 0.000 1.302 98 A HN 2.700 nan 8.150 nan 0.000 0.446 99 A N 0.145 122.982 122.820 0.028 0.000 2.356 99 A HA 0.755 5.076 4.320 0.001 0.000 0.310 99 A C -1.005 176.585 177.584 0.011 0.000 1.075 99 A CA -0.294 51.729 52.037 -0.022 0.000 0.746 99 A CB 0.556 19.538 19.000 -0.031 0.000 1.221 99 A HN 0.799 nan 8.150 nan 0.000 0.443 100 I N 4.017 124.536 120.570 -0.085 0.000 2.382 100 I HA 0.288 4.458 4.170 0.001 0.000 0.286 100 I C -0.746 175.297 176.117 -0.123 0.000 1.002 100 I CA -0.576 60.659 61.300 -0.110 0.000 1.135 100 I CB 1.331 39.197 38.000 -0.224 0.000 1.288 100 I HN 0.418 nan 8.210 nan 0.000 0.448 101 I N 7.309 127.841 120.570 -0.065 0.000 2.365 101 I HA 0.346 4.517 4.170 0.001 0.000 0.291 101 I C 0.142 176.230 176.117 -0.048 0.000 1.004 101 I CA -0.473 60.792 61.300 -0.058 0.000 1.311 101 I CB 1.337 39.348 38.000 0.020 0.000 1.401 101 I HN 0.437 nan 8.210 nan 0.000 0.491 102 I N 8.079 128.614 120.570 -0.058 0.000 2.388 102 I HA 0.265 4.436 4.170 0.001 0.000 0.281 102 I C -2.229 174.022 176.117 0.222 0.000 1.046 102 I CA -1.744 59.517 61.300 -0.066 0.000 1.187 102 I CB 1.257 39.107 38.000 -0.249 0.000 1.351 102 I HN 0.202 nan 8.210 nan 0.000 0.472 103 P HA 0.023 nan 4.420 nan 0.000 0.267 103 P C -2.414 175.091 177.300 0.342 0.000 1.201 103 P CA -0.683 62.617 63.100 0.332 0.000 0.775 103 P CB -0.139 31.696 31.700 0.225 0.000 0.854 104 P HA 0.202 nan 4.420 nan 0.000 0.261 104 P C 0.134 177.485 177.300 0.085 0.000 1.183 104 P CA 1.243 64.409 63.100 0.109 0.000 0.761 104 P CB 0.097 31.767 31.700 -0.049 0.000 0.785 105 G N 2.096 110.918 108.800 0.037 0.000 2.313 105 G HA2 0.189 4.150 3.960 0.001 0.000 0.296 105 G HA3 0.189 4.150 3.960 0.001 0.000 0.296 105 G C -2.097 172.509 174.900 -0.489 0.000 1.356 105 G CA -0.662 44.262 45.100 -0.293 0.000 0.833 105 G HN 0.260 nan 8.290 nan 0.000 0.552 106 D N 0.527 120.552 120.400 -0.626 0.000 2.329 106 D HA 0.569 5.209 4.640 0.001 0.000 0.232 106 D C -1.073 174.819 176.300 -0.680 0.000 1.088 106 D CA 0.402 54.134 54.000 -0.447 0.000 0.835 106 D CB 1.166 41.847 40.800 -0.199 0.000 1.078 106 D HN 0.262 nan 8.370 nan 0.000 0.495 107 Y N 0.518 120.750 120.300 -0.114 0.000 2.391 107 Y HA 0.262 4.812 4.550 0.001 0.000 0.341 107 Y C 0.098 175.921 175.900 -0.128 0.000 0.965 107 Y CA -1.135 56.917 58.100 -0.080 0.000 1.067 107 Y CB 1.582 40.020 38.460 -0.036 0.000 1.199 107 Y HN 0.069 nan 8.280 nan 0.000 0.450 108 D N 3.061 123.498 120.400 0.062 0.000 2.249 108 D HA 0.292 4.932 4.640 0.001 0.000 0.246 108 D C -0.987 175.296 176.300 -0.028 0.000 1.114 108 D CA -0.205 53.774 54.000 -0.035 0.000 0.854 108 D CB 1.907 42.703 40.800 -0.005 0.000 1.132 108 D HN 0.506 nan 8.370 nan 0.000 0.461 109 L N 4.012 125.164 121.223 -0.118 0.000 2.295 109 L HA 0.225 4.565 4.340 0.001 0.000 0.281 109 L C 0.806 177.577 176.870 -0.165 0.000 1.018 109 L CA -0.341 54.440 54.840 -0.098 0.000 0.841 109 L CB 0.577 42.576 42.059 -0.100 0.000 1.218 109 L HN 0.475 nan 8.230 nan 0.000 0.424 110 H N 1.698 120.748 119.070 -0.034 0.000 2.476 110 H HA 0.186 4.743 4.556 0.001 0.000 0.292 110 H C -0.030 175.272 175.328 -0.044 0.000 1.019 110 H CA 0.284 56.315 56.048 -0.028 0.000 1.330 110 H CB 0.654 30.404 29.762 -0.019 0.000 1.451 110 H HN 0.440 nan 8.280 nan 0.000 0.535 111 T N 2.438 117.027 114.554 0.058 0.000 2.744 111 T HA 0.092 4.442 4.350 0.001 0.000 0.291 111 T C 0.304 174.956 174.700 -0.079 0.000 0.957 111 T CA -0.400 61.694 62.100 -0.010 0.000 1.002 111 T CB 2.126 70.981 68.868 -0.020 0.000 0.919 111 T HN 0.243 nan 8.240 nan 0.000 0.468 112 Q N 2.972 122.727 119.800 -0.075 0.000 2.315 112 Q HA 0.154 4.494 4.340 0.001 0.000 0.289 112 Q C -0.876 175.044 176.000 -0.132 0.000 1.044 112 Q CA -0.109 55.625 55.803 -0.115 0.000 0.920 112 Q CB 0.464 29.169 28.738 -0.055 0.000 1.214 112 Q HN 0.436 nan 8.270 nan 0.000 0.392 113 V N 5.327 125.106 119.914 -0.226 0.000 2.383 113 V HA 0.213 4.334 4.120 0.001 0.000 0.275 113 V C -0.220 175.882 176.094 0.013 0.000 1.036 113 V CA -0.636 61.580 62.300 -0.141 0.000 0.889 113 V CB 1.418 33.092 31.823 -0.248 0.000 0.985 113 V HN 0.591 nan 8.190 nan 0.000 0.459 114 V N 6.343 126.278 119.914 0.035 0.000 2.364 114 V HA 0.290 4.410 4.120 0.001 0.000 0.272 114 V C 0.066 176.215 176.094 0.091 0.000 1.036 114 V CA -0.410 61.933 62.300 0.072 0.000 0.880 114 V CB 1.661 33.508 31.823 0.040 0.000 0.991 114 V HN 0.624 nan 8.190 nan 0.000 0.460 115 V N 5.785 125.786 119.914 0.146 0.000 2.333 115 V HA 0.357 4.477 4.120 0.001 0.000 0.274 115 V C 0.393 176.537 176.094 0.084 0.000 1.028 115 V CA -0.331 62.040 62.300 0.118 0.000 0.851 115 V CB 1.326 33.259 31.823 0.184 0.000 1.000 115 V HN 1.036 nan 8.190 nan 0.000 0.456 116 D N 3.554 123.975 120.400 0.035 0.000 2.599 116 D HA 0.114 4.755 4.640 0.001 0.000 0.249 116 D C -0.193 176.101 176.300 -0.009 0.000 1.313 116 D CA -0.093 53.922 54.000 0.025 0.000 0.815 116 D CB 1.290 42.105 40.800 0.024 0.000 1.077 116 D HN 0.325 nan 8.370 nan 0.000 0.492 117 V N -0.016 119.875 119.914 -0.039 0.000 2.604 117 V HA 0.501 4.622 4.120 0.001 0.000 0.305 117 V C -0.361 175.650 176.094 -0.139 0.000 1.043 117 V CA -0.390 61.868 62.300 -0.071 0.000 0.888 117 V CB 2.007 33.798 31.823 -0.054 0.000 0.995 117 V HN 0.142 nan 8.190 nan 0.000 0.429 118 S N 4.963 120.524 115.700 -0.232 0.000 2.585 118 S HA 0.467 4.937 4.470 0.001 0.000 0.273 118 S C -0.619 173.725 174.600 -0.426 0.000 1.339 118 S CA 0.175 58.071 58.200 -0.506 0.000 1.028 118 S CB 0.067 62.698 63.200 -0.947 0.000 0.906 118 S HN 1.021 nan 8.310 nan 0.000 0.528 119 Y N -1.884 118.354 120.300 -0.104 0.000 3.689 119 Y HA -0.151 4.400 4.550 0.001 0.000 0.221 119 Y C -0.313 175.495 175.900 -0.153 0.000 1.247 119 Y CA -0.453 57.577 58.100 -0.118 0.000 1.671 119 Y CB -2.376 36.046 38.460 -0.063 0.000 1.521 119 Y HN 0.387 nan 8.280 nan 0.000 0.632 120 L N 1.145 122.280 121.223 -0.147 0.000 2.276 120 L HA 0.664 5.004 4.340 0.001 0.000 0.286 120 L C 0.264 176.956 176.870 -0.297 0.000 1.061 120 L CA -0.014 54.706 54.840 -0.201 0.000 0.807 120 L CB 1.395 43.305 42.059 -0.249 0.000 1.177 120 L HN 0.156 nan 8.230 nan 0.000 0.429 121 T N 6.873 121.288 114.554 -0.232 0.000 2.791 121 T HA 0.572 4.923 4.350 0.001 0.000 0.288 121 T C -0.188 174.359 174.700 -0.255 0.000 0.999 121 T CA -0.085 61.869 62.100 -0.244 0.000 0.952 121 T CB 0.451 69.239 68.868 -0.134 0.000 0.938 121 T HN 0.401 nan 8.240 nan 0.000 0.444 122 I N 3.292 123.671 120.570 -0.318 0.000 2.382 122 I HA 0.670 4.840 4.170 0.001 0.000 0.285 122 I C 0.071 176.135 176.117 -0.088 0.000 1.007 122 I CA -0.696 60.447 61.300 -0.261 0.000 1.142 122 I CB 1.223 39.008 38.000 -0.358 0.000 1.289 122 I HN 0.639 nan 8.210 nan 0.000 0.453 123 A N 4.479 127.233 122.820 -0.110 0.000 2.454 123 A HA 0.958 5.278 4.320 0.001 0.000 0.302 123 A C -0.252 177.285 177.584 -0.080 0.000 1.079 123 A CA -0.442 51.580 52.037 -0.025 0.000 0.731 123 A CB 1.729 20.670 19.000 -0.098 0.000 1.299 123 A HN 0.733 nan 8.150 nan 0.000 0.413 124 G N -1.029 107.785 108.800 0.023 0.000 3.262 124 G HA2 0.578 4.539 3.960 0.001 0.000 0.229 124 G HA3 0.578 4.539 3.960 0.001 0.000 0.229 124 G C -0.740 174.078 174.900 -0.136 0.000 1.280 124 G CA -0.326 44.801 45.100 0.045 0.000 0.951 124 G HN 0.474 nan 8.290 nan 0.000 0.589 125 F N 0.181 120.211 119.950 0.133 0.000 2.706 125 F HA 0.536 5.064 4.527 0.001 0.000 0.313 125 F C 1.050 176.923 175.800 0.123 0.000 1.096 125 F CA 0.063 58.129 58.000 0.109 0.000 1.219 125 F CB 1.423 40.475 39.000 0.088 0.000 1.051 125 F HN 0.709 nan 8.300 nan 0.000 0.568 126 G N -0.867 108.108 108.800 0.292 0.000 2.519 126 G HA2 0.208 4.168 3.960 0.001 0.000 0.292 126 G HA3 0.208 4.168 3.960 0.001 0.000 0.292 126 G C -0.250 174.789 174.900 0.232 0.000 1.507 126 G CA -0.563 44.691 45.100 0.257 0.000 0.806 126 G HN 0.138 nan 8.290 nan 0.000 0.523 127 H N -0.230 118.898 119.070 0.097 0.000 2.544 127 H HA 0.143 4.699 4.556 0.001 0.000 0.269 127 H C 1.838 177.232 175.328 0.109 0.000 0.970 127 H CA 0.804 56.896 56.048 0.072 0.000 1.219 127 H CB -0.288 29.517 29.762 0.073 0.000 1.421 127 H HN 1.724 nan 8.280 nan 0.000 0.555 128 G N 1.687 110.224 108.800 -0.440 0.000 2.450 128 G HA2 -0.348 3.612 3.960 0.001 0.000 0.302 128 G HA3 -0.348 3.612 3.960 0.001 0.000 0.302 128 G C -0.094 174.681 174.900 -0.209 0.000 0.957 128 G CA 0.602 45.509 45.100 -0.322 0.000 1.005 128 G HN 0.597 nan 8.290 nan 0.000 0.514 129 F N -0.433 119.332 119.950 -0.309 0.000 2.506 129 F HA 0.581 5.109 4.527 0.001 0.000 0.351 129 F C 0.200 176.032 175.800 0.052 0.000 1.136 129 F CA -0.301 57.685 58.000 -0.022 0.000 1.298 129 F CB 0.428 39.496 39.000 0.113 0.000 1.145 129 F HN 0.198 nan 8.300 nan 0.000 0.593 130 F N 4.756 123.963 119.950 -1.238 0.000 2.623 130 F HA 0.247 4.774 4.527 0.001 0.000 0.323 130 F C -1.016 174.132 175.800 -1.087 0.000 1.158 130 F CA -0.773 56.745 58.000 -0.802 0.000 1.030 130 F CB 1.190 39.908 39.000 -0.470 0.000 1.280 130 F HN 0.320 nan 8.300 nan 0.000 0.474 131 S N 5.927 120.974 115.700 -1.088 0.000 2.686 131 S HA 0.210 4.680 4.470 0.001 0.000 0.324 131 S C 1.270 175.452 174.600 -0.697 0.000 1.172 131 S CA -0.150 57.672 58.200 -0.631 0.000 1.127 131 S CB -0.059 62.992 63.200 -0.249 0.000 1.338 131 S HN 0.873 nan 8.310 nan 0.000 0.547 132 R N 2.372 122.529 120.500 -0.572 0.000 2.148 132 R HA -0.039 4.301 4.340 0.001 0.000 0.227 132 R C 2.518 178.642 176.300 -0.295 0.000 1.103 132 R CA 1.114 56.871 56.100 -0.572 0.000 0.983 132 R CB -0.318 29.201 30.300 -1.303 0.000 0.874 132 R HN 0.635 nan 8.270 nan 0.000 0.451 133 S N 0.966 116.660 115.700 -0.009 0.000 2.353 133 S HA -0.113 4.357 4.470 0.001 0.000 0.222 133 S C 1.864 176.635 174.600 0.284 0.000 1.035 133 S CA 1.160 59.577 58.200 0.363 0.000 1.025 133 S CB -0.058 63.412 63.200 0.450 0.000 0.902 133 S HN 0.213 nan 8.310 nan 0.000 0.440 134 I N 1.110 121.770 120.570 0.150 0.000 2.315 134 I HA -0.131 4.039 4.170 0.001 0.000 0.248 134 I C 2.311 178.518 176.117 0.151 0.000 1.117 134 I CA 0.713 62.132 61.300 0.199 0.000 1.404 134 I CB -0.344 37.719 38.000 0.106 0.000 1.071 134 I HN 0.328 nan 8.210 nan 0.000 0.419 135 L N 0.852 122.087 121.223 0.020 0.000 2.017 135 L HA -0.233 4.107 4.340 0.001 0.000 0.208 135 L C 1.929 178.697 176.870 -0.171 0.000 1.073 135 L CA 2.048 56.770 54.840 -0.196 0.000 0.745 135 L CB -0.750 41.280 42.059 -0.048 0.000 0.894 135 L HN 0.156 nan 8.230 nan 0.000 0.432 136 D N -0.305 120.083 120.400 -0.020 0.000 2.263 136 D HA -0.111 4.530 4.640 0.001 0.000 0.208 136 D C 0.983 177.296 176.300 0.021 0.000 0.971 136 D CA 0.866 54.883 54.000 0.028 0.000 0.867 136 D CB -0.064 40.831 40.800 0.158 0.000 0.929 136 D HN 0.509 nan 8.370 nan 0.000 0.492 137 N N -0.318 118.416 118.700 0.058 0.000 2.235 137 N HA 0.090 4.830 4.740 0.001 0.000 0.231 137 N C -0.374 175.153 175.510 0.027 0.000 1.177 137 N CA 0.022 53.090 53.050 0.030 0.000 0.874 137 N CB 1.284 39.805 38.487 0.057 0.000 1.097 137 N HN -0.112 nan 8.380 nan 0.000 0.518 138 S N 0.141 115.823 115.700 -0.030 0.000 2.745 138 S HA 0.306 4.776 4.470 0.001 0.000 0.306 138 S C -0.403 174.083 174.600 -0.189 0.000 1.137 138 S CA -0.711 57.460 58.200 -0.048 0.000 0.900 138 S CB 2.018 65.234 63.200 0.026 0.000 1.176 138 S HN 0.104 nan 8.310 nan 0.000 0.520 139 N N 1.708 120.315 118.700 -0.155 0.000 2.558 139 N HA 0.333 5.073 4.740 0.001 0.000 0.233 139 N C -2.268 173.002 175.510 -0.399 0.000 1.038 139 N CA -1.914 51.024 53.050 -0.187 0.000 0.934 139 N CB 0.994 39.452 38.487 -0.048 0.000 1.175 139 N HN 0.124 nan 8.380 nan 0.000 0.512 140 P HA -0.049 nan 4.420 nan 0.000 0.229 140 P C -0.261 176.872 177.300 -0.279 0.000 1.150 140 P CA 0.919 63.517 63.100 -0.837 0.000 0.765 140 P CB 0.038 31.434 31.700 -0.506 0.000 0.783 141 T N 0.221 114.719 114.554 -0.094 0.000 2.822 141 T HA 0.236 4.586 4.350 0.001 0.000 0.288 141 T C 1.499 176.308 174.700 0.182 0.000 0.991 141 T CA 1.145 63.272 62.100 0.046 0.000 1.176 141 T CB -0.369 68.520 68.868 0.036 0.000 0.951 141 T HN 0.385 nan 8.240 nan 0.000 0.526 142 G N 2.599 111.493 108.800 0.158 0.000 2.162 142 G HA2 -0.232 3.728 3.960 0.001 0.000 0.260 142 G HA3 -0.232 3.728 3.960 0.001 0.000 0.260 142 G C 0.037 175.085 174.900 0.247 0.000 0.976 142 G CA -0.432 44.768 45.100 0.167 0.000 0.655 142 G HN 0.686 nan 8.290 nan 0.000 0.533 143 W N 1.208 122.515 121.300 0.012 0.000 2.251 143 W HA 0.533 5.194 4.660 0.001 0.000 0.327 143 W C 1.553 178.076 176.519 0.007 0.000 1.361 143 W CA 0.146 57.504 57.345 0.021 0.000 1.234 143 W CB 0.426 29.912 29.460 0.042 0.000 1.212 143 W HN 0.284 nan 8.180 nan 0.000 0.557 144 Q N 1.808 121.671 119.800 0.105 0.000 2.432 144 Q HA 0.041 4.381 4.340 0.001 0.000 0.205 144 Q C -0.086 175.929 176.000 0.026 0.000 0.945 144 Q CA 0.726 56.552 55.803 0.038 0.000 0.924 144 Q CB 0.139 28.864 28.738 -0.023 0.000 1.016 144 Q HN 0.374 nan 8.270 nan 0.000 0.503 145 N N -0.114 118.634 118.700 0.081 0.000 2.369 145 N HA 0.255 4.995 4.740 0.001 0.000 0.287 145 N C -0.646 174.917 175.510 0.088 0.000 1.067 145 N CA -0.170 52.868 53.050 -0.020 0.000 0.888 145 N CB 1.890 40.323 38.487 -0.090 0.000 1.616 145 N HN -0.021 nan 8.380 nan 0.000 0.482 146 L N 0.531 121.666 121.223 -0.148 0.000 2.966 146 L HA 0.308 4.649 4.340 0.001 0.000 0.262 146 L C 0.114 176.707 176.870 -0.461 0.000 1.165 146 L CA 0.275 55.076 54.840 -0.065 0.000 0.978 146 L CB 0.418 42.468 42.059 -0.016 0.000 1.337 146 L HN 0.344 nan 8.230 nan 0.000 0.563 147 Q N -0.664 118.565 119.800 -0.952 0.000 2.462 147 Q HA 0.412 4.753 4.340 0.001 0.000 0.285 147 Q C -2.623 172.699 176.000 -1.130 0.000 1.035 147 Q CA -1.852 53.394 55.803 -0.929 0.000 0.799 147 Q CB 2.567 31.079 28.738 -0.377 0.000 1.452 147 Q HN -0.228 nan 8.270 nan 0.000 0.404 148 P HA 0.060 nan 4.420 nan 0.000 0.269 148 P C -0.616 176.157 177.300 -0.878 0.000 1.217 148 P CA 0.295 62.941 63.100 -0.756 0.000 0.783 148 P CB 0.559 31.860 31.700 -0.666 0.000 0.898 149 G N -0.396 108.108 108.800 -0.493 0.000 3.257 149 G HA2 0.650 4.610 3.960 0.001 0.000 0.205 149 G HA3 0.650 4.610 3.960 0.001 0.000 0.205 149 G C -0.379 174.465 174.900 -0.094 0.000 1.234 149 G CA 0.031 44.959 45.100 -0.286 0.000 0.918 149 G HN 0.678 nan 8.290 nan 0.000 0.602 150 A N -1.016 121.790 122.820 -0.023 0.000 5.699 150 A HA -0.106 4.214 4.320 0.001 0.000 0.280 150 A C 0.925 178.619 177.584 0.182 0.000 2.071 150 A CA 1.063 53.148 52.037 0.080 0.000 0.714 150 A CB -1.781 17.268 19.000 0.081 0.000 1.162 150 A HN 1.813 nan 8.150 nan 0.000 0.363 151 S N 0.947 116.816 115.700 0.282 0.000 3.483 151 S HA 0.410 4.881 4.470 0.001 0.000 0.274 151 S C -0.080 174.776 174.600 0.427 0.000 1.289 151 S CA 0.478 58.911 58.200 0.389 0.000 0.938 151 S CB -0.301 63.130 63.200 0.385 0.000 1.453 151 S HN 0.933 nan 8.310 nan 0.000 0.494 152 H N 3.208 122.419 119.070 0.236 0.000 2.864 152 H HA 0.389 4.946 4.556 0.001 0.000 0.281 152 H C -0.494 174.983 175.328 0.248 0.000 1.093 152 H CA -0.743 55.406 56.048 0.169 0.000 1.453 152 H CB -0.173 29.600 29.762 0.019 0.000 1.462 152 H HN 0.445 nan 8.280 nan 0.000 0.480 153 I N 6.491 127.188 120.570 0.212 0.000 2.339 153 I HA 0.295 4.465 4.170 0.001 0.000 0.290 153 I C 0.049 176.133 176.117 -0.056 0.000 0.994 153 I CA -0.706 60.660 61.300 0.109 0.000 1.191 153 I CB 0.926 39.084 38.000 0.265 0.000 1.343 153 I HN 0.483 nan 8.210 nan 0.000 0.458 154 R N 5.384 125.762 120.500 -0.202 0.000 2.202 154 R HA 0.395 4.736 4.340 0.001 0.000 0.334 154 R C -0.829 175.418 176.300 -0.088 0.000 1.036 154 R CA -0.598 55.400 56.100 -0.171 0.000 0.878 154 R CB 1.225 31.380 30.300 -0.241 0.000 1.067 154 R HN 0.349 nan 8.270 nan 0.000 0.457 155 V N 6.250 126.153 119.914 -0.020 0.000 2.387 155 V HA 0.083 4.203 4.120 0.001 0.000 0.260 155 V C 0.530 176.587 176.094 -0.061 0.000 1.054 155 V CA 0.092 62.383 62.300 -0.016 0.000 0.967 155 V CB 0.246 32.108 31.823 0.065 0.000 1.036 155 V HN 0.686 nan 8.190 nan 0.000 0.481 156 L N 5.334 126.467 121.223 -0.150 0.000 2.999 156 L HA 0.258 4.598 4.340 0.001 0.000 0.263 156 L C 0.850 177.658 176.870 -0.104 0.000 1.320 156 L CA -0.316 54.413 54.840 -0.184 0.000 0.913 156 L CB 0.481 42.261 42.059 -0.464 0.000 1.296 156 L HN 0.728 nan 8.230 nan 0.000 0.546 157 T N -2.170 112.365 114.554 -0.032 0.000 2.899 157 T HA 0.331 4.682 4.350 0.001 0.000 0.295 157 T C 0.636 175.359 174.700 0.039 0.000 1.033 157 T CA -0.581 61.524 62.100 0.008 0.000 1.084 157 T CB 1.485 70.359 68.868 0.010 0.000 0.979 157 T HN 0.336 nan 8.240 nan 0.000 0.532 158 S N 1.671 117.399 115.700 0.047 0.000 2.610 158 S HA 0.362 4.833 4.470 0.001 0.000 0.273 158 S C -1.852 172.775 174.600 0.044 0.000 1.274 158 S CA -1.381 56.849 58.200 0.051 0.000 1.023 158 S CB 0.949 64.177 63.200 0.048 0.000 0.962 158 S HN 0.460 nan 8.310 nan 0.000 0.523 159 P HA -0.188 nan 4.420 nan 0.000 0.216 159 P C 1.684 179.006 177.300 0.037 0.000 1.154 159 P CA 1.994 65.122 63.100 0.046 0.000 0.865 159 P CB -0.195 31.532 31.700 0.044 0.000 0.789 160 S N -1.722 113.996 115.700 0.030 0.000 2.547 160 S HA 0.093 4.564 4.470 0.001 0.000 0.235 160 S C 1.075 175.687 174.600 0.020 0.000 0.980 160 S CA 0.645 58.859 58.200 0.023 0.000 0.941 160 S CB -0.607 62.605 63.200 0.019 0.000 0.763 160 S HN 0.130 nan 8.310 nan 0.000 0.532 161 A N 1.050 123.883 122.820 0.022 0.000 3.422 161 A HA 0.638 4.958 4.320 0.001 0.000 0.271 161 A C -2.076 175.520 177.584 0.020 0.000 1.104 161 A CA -1.041 51.005 52.037 0.016 0.000 0.899 161 A CB 0.576 19.580 19.000 0.007 0.000 1.309 161 A HN 0.178 nan 8.150 nan 0.000 0.580 162 P HA -0.204 nan 4.420 nan 0.000 0.214 162 P C 0.196 177.524 177.300 0.047 0.000 1.169 162 P CA 1.405 64.532 63.100 0.046 0.000 0.908 162 P CB 0.055 31.783 31.700 0.047 0.000 0.791 163 Q N -0.829 118.995 119.800 0.040 0.000 2.274 163 Q HA 0.253 4.594 4.340 0.001 0.000 0.280 163 Q C 1.308 177.314 176.000 0.009 0.000 1.047 163 Q CA 0.389 56.223 55.803 0.052 0.000 0.907 163 Q CB 0.037 28.811 28.738 0.061 0.000 1.171 163 Q HN 0.097 nan 8.270 nan 0.000 0.381 164 A N 3.206 126.039 122.820 0.022 0.000 1.898 164 A HA -0.020 4.301 4.320 0.001 0.000 0.216 164 A C -0.022 177.298 177.584 -0.440 0.000 1.181 164 A CA 1.069 53.014 52.037 -0.154 0.000 0.620 164 A CB 0.102 19.112 19.000 0.016 0.000 0.819 164 A HN 0.619 nan 8.150 nan 0.000 0.442 165 F N -1.472 118.529 119.950 0.086 0.000 2.507 165 F HA 0.579 5.106 4.527 0.001 0.000 0.328 165 F C -0.616 175.240 175.800 0.092 0.000 1.136 165 F CA -0.907 57.159 58.000 0.110 0.000 0.930 165 F CB 2.064 41.142 39.000 0.130 0.000 1.166 165 F HN 0.013 nan 8.300 nan 0.000 0.436 166 L N 5.208 126.573 121.223 0.237 0.000 2.372 166 L HA 0.670 5.011 4.340 0.001 0.000 0.273 166 L C -1.298 175.698 176.870 0.210 0.000 0.989 166 L CA -0.621 54.326 54.840 0.178 0.000 0.841 166 L CB 1.414 43.531 42.059 0.097 0.000 1.225 166 L HN 0.342 nan 8.230 nan 0.000 0.414 167 V N 6.029 126.090 119.914 0.246 0.000 2.364 167 V HA 0.629 4.749 4.120 0.001 0.000 0.272 167 V C -0.178 176.026 176.094 0.184 0.000 1.036 167 V CA -0.420 62.038 62.300 0.263 0.000 0.880 167 V CB 0.799 32.867 31.823 0.409 0.000 0.991 167 V HN 0.856 nan 8.190 nan 0.000 0.460 168 K N 4.385 124.867 120.400 0.137 0.000 2.598 168 K HA 0.773 5.094 4.320 0.001 0.000 0.271 168 K C -1.265 175.375 176.600 0.065 0.000 0.947 168 K CA -1.133 55.207 56.287 0.089 0.000 0.854 168 K CB 2.420 34.959 32.500 0.065 0.000 1.401 168 K HN 0.506 nan 8.250 nan 0.000 0.415 169 R N 1.436 121.964 120.500 0.046 0.000 2.561 169 R HA 0.590 4.930 4.340 0.001 0.000 0.266 169 R C -1.554 174.757 176.300 0.018 0.000 1.091 169 R CA -0.441 55.677 56.100 0.030 0.000 0.927 169 R CB 2.326 32.642 30.300 0.027 0.000 1.240 169 R HN 0.909 nan 8.270 nan 0.000 0.449 170 A N 1.828 124.657 122.820 0.014 0.000 2.252 170 A HA 0.860 5.181 4.320 0.001 0.000 0.305 170 A C 0.272 177.859 177.584 0.006 0.000 1.097 170 A CA 0.208 52.250 52.037 0.009 0.000 0.849 170 A CB 0.647 19.652 19.000 0.009 0.000 1.142 170 A HN 1.261 nan 8.150 nan 0.000 0.499 171 G N -0.123 108.680 108.800 0.004 0.000 2.757 171 G HA2 0.022 3.982 3.960 0.001 0.000 0.638 171 G HA3 0.022 3.982 3.960 0.001 0.000 0.638 171 G C -1.040 173.861 174.900 0.001 0.000 1.344 171 G CA -0.140 44.962 45.100 0.003 0.000 0.855 171 G HN 0.864 nan 8.290 nan 0.000 0.537 172 D N 1.223 121.625 120.400 0.002 0.000 2.181 172 D HA 0.792 5.433 4.640 0.001 0.000 0.248 172 D C -2.096 174.206 176.300 0.003 0.000 1.020 172 D CA 0.300 54.301 54.000 0.001 0.000 0.891 172 D CB 1.298 42.099 40.800 0.002 0.000 1.187 172 D HN 0.613 nan 8.370 nan 0.000 0.443 173 P HA -0.060 nan 4.420 nan 0.000 0.298 173 P C -1.265 176.031 177.300 -0.006 0.000 1.967 173 P CA -0.286 62.815 63.100 0.002 0.000 1.762 173 P CB 0.439 32.142 31.700 0.005 0.000 0.242 174 R N 1.338 121.834 120.500 -0.007 0.000 2.641 174 R HA 0.463 4.804 4.340 0.001 0.000 0.269 174 R C 0.404 176.703 176.300 -0.001 0.000 1.074 174 R CA -0.702 55.390 56.100 -0.013 0.000 1.133 174 R CB 0.295 30.576 30.300 -0.030 0.000 1.029 174 R HN 0.322 nan 8.270 nan 0.000 0.488 175 L N 1.705 122.944 121.223 0.028 0.000 2.490 175 L HA 0.056 4.396 4.340 0.001 0.000 0.274 175 L C 0.325 177.329 176.870 0.224 0.000 1.201 175 L CA 0.516 55.416 54.840 0.099 0.000 0.869 175 L CB 0.584 42.790 42.059 0.244 0.000 1.123 175 L HN 0.793 nan 8.230 nan 0.000 0.484 176 S N 0.328 116.084 115.700 0.093 0.000 2.588 176 S HA 0.699 5.170 4.470 0.001 0.000 0.275 176 S C 0.390 174.996 174.600 0.011 0.000 1.130 176 S CA -0.227 58.083 58.200 0.183 0.000 0.855 176 S CB 1.900 65.162 63.200 0.104 0.000 1.116 176 S HN 1.057 nan 8.310 nan 0.000 0.472 177 G N 0.717 109.633 108.800 0.192 0.000 2.187 177 G HA2 -0.236 3.724 3.960 0.001 0.000 0.261 177 G HA3 -0.236 3.724 3.960 0.001 0.000 0.261 177 G C -0.027 174.805 174.900 -0.112 0.000 1.000 177 G CA 0.411 45.602 45.100 0.151 0.000 0.718 177 G HN 0.916 nan 8.290 nan 0.000 0.519 178 I N 0.342 120.562 120.570 -0.584 0.000 2.496 178 I HA 0.336 4.507 4.170 0.001 0.000 0.285 178 I C 0.496 176.299 176.117 -0.525 0.000 1.080 178 I CA -0.354 60.495 61.300 -0.752 0.000 1.404 178 I CB 1.295 38.557 38.000 -1.229 0.000 1.403 178 I HN -0.110 nan 8.210 nan 0.000 0.539 179 V N 7.341 127.018 119.914 -0.395 0.000 2.487 179 V HA 0.379 4.499 4.120 0.001 0.000 0.298 179 V C -0.676 175.215 176.094 -0.337 0.000 1.028 179 V CA -0.559 61.612 62.300 -0.216 0.000 0.860 179 V CB 1.548 33.327 31.823 -0.075 0.000 0.991 179 V HN 0.355 nan 8.190 nan 0.000 0.427 180 F N 5.287 125.177 119.950 -0.101 0.000 2.427 180 F HA 0.769 5.296 4.527 0.001 0.000 0.348 180 F C 0.422 176.157 175.800 -0.107 0.000 1.125 180 F CA -0.479 57.484 58.000 -0.061 0.000 0.989 180 F CB 1.433 40.380 39.000 -0.089 0.000 1.165 180 F HN 0.541 nan 8.300 nan 0.000 0.442 181 R N 1.561 122.145 120.500 0.141 0.000 2.739 181 R HA 0.420 4.760 4.340 0.001 0.000 0.271 181 R C -1.258 175.099 176.300 0.095 0.000 1.010 181 R CA -0.869 55.242 56.100 0.018 0.000 0.897 181 R CB 1.491 31.761 30.300 -0.050 0.000 1.236 181 R HN 0.509 nan 8.270 nan 0.000 0.466 182 D N 0.958 121.363 120.400 0.007 0.000 2.701 182 D HA -0.211 4.430 4.640 0.001 0.000 0.235 182 D C -0.587 175.832 176.300 0.199 0.000 1.155 182 D CA 1.905 55.948 54.000 0.071 0.000 0.649 182 D CB -1.216 39.612 40.800 0.046 0.000 1.050 182 D HN 0.447 nan 8.370 nan 0.000 0.425 183 F N -2.145 117.809 119.950 0.008 0.000 2.692 183 F HA 0.628 5.156 4.527 0.001 0.000 0.320 183 F C -0.910 174.886 175.800 -0.007 0.000 1.123 183 F CA -1.502 56.517 58.000 0.032 0.000 0.961 183 F CB 1.488 40.505 39.000 0.028 0.000 1.383 183 F HN 0.008 nan 8.300 nan 0.000 0.483 184 C N 2.967 122.447 119.300 0.300 0.000 2.379 184 C HA 0.800 5.261 4.460 0.001 0.000 0.323 184 C C -0.844 174.280 174.990 0.224 0.000 1.262 184 C CA -0.705 58.394 59.018 0.135 0.000 1.581 184 C CB 0.059 27.910 27.740 0.185 0.000 2.221 184 C HN 0.797 nan 8.230 nan 0.000 0.497 185 L N 5.521 126.755 121.223 0.019 0.000 2.294 185 L HA 0.436 4.777 4.340 0.001 0.000 0.283 185 L C -0.748 176.240 176.870 0.197 0.000 1.015 185 L CA 0.005 54.927 54.840 0.138 0.000 0.831 185 L CB 1.239 43.335 42.059 0.062 0.000 1.217 185 L HN 0.691 nan 8.230 nan 0.000 0.420 186 D N 2.099 122.631 120.400 0.220 0.000 2.408 186 D HA 0.332 4.972 4.640 0.001 0.000 0.243 186 D C 0.884 177.275 176.300 0.153 0.000 1.075 186 D CA -0.445 53.681 54.000 0.211 0.000 0.832 186 D CB 2.224 43.211 40.800 0.312 0.000 1.162 186 D HN 0.496 nan 8.370 nan 0.000 0.515 187 G N 2.049 110.943 108.800 0.155 0.000 2.920 187 G HA2 0.122 4.082 3.960 0.001 0.000 0.208 187 G HA3 0.122 4.082 3.960 0.001 0.000 0.208 187 G C 1.251 176.182 174.900 0.052 0.000 1.159 187 G CA 0.519 45.680 45.100 0.102 0.000 0.784 187 G HN 0.661 nan 8.290 nan 0.000 0.535 188 V N -1.177 118.775 119.914 0.062 0.000 0.456 188 V HA -0.238 3.883 4.120 0.001 0.000 0.092 188 V C 1.287 177.420 176.094 0.064 0.000 2.503 188 V CA 2.161 64.481 62.300 0.034 0.000 3.694 188 V CB -1.658 30.173 31.823 0.015 0.000 0.970 188 V HN 1.430 nan 8.190 nan 0.000 1.019 189 G N -2.195 106.634 108.800 0.048 0.000 2.523 189 G HA2 0.606 4.566 3.960 0.001 0.000 0.291 189 G HA3 0.606 4.566 3.960 0.001 0.000 0.291 189 G C -1.753 173.009 174.900 -0.229 0.000 1.450 189 G CA -0.532 44.588 45.100 0.033 0.000 0.790 189 G HN 0.197 nan 8.290 nan 0.000 0.496 190 F N 0.520 120.480 119.950 0.017 0.000 2.425 190 F HA 0.775 5.303 4.527 0.001 0.000 0.331 190 F C 0.722 176.534 175.800 0.019 0.000 1.085 190 F CA -0.644 57.319 58.000 -0.063 0.000 1.028 190 F CB 2.554 41.424 39.000 -0.218 0.000 1.177 190 F HN 0.288 nan 8.300 nan 0.000 0.487 191 T N 4.075 118.794 114.554 0.276 0.000 2.921 191 T HA 0.300 4.650 4.350 0.001 0.000 0.297 191 T C -2.020 172.755 174.700 0.126 0.000 1.013 191 T CA -0.942 61.256 62.100 0.163 0.000 0.990 191 T CB 2.241 71.188 68.868 0.132 0.000 1.023 191 T HN 0.215 nan 8.240 nan 0.000 0.447 192 P HA 0.095 nan 4.420 nan 0.000 0.215 192 P C 0.857 178.191 177.300 0.058 0.000 1.157 192 P CA 0.519 63.650 63.100 0.053 0.000 0.859 192 P CB -0.029 31.685 31.700 0.023 0.000 0.786 193 G N 0.509 109.341 108.800 0.054 0.000 2.432 193 G HA2 0.115 4.075 3.960 0.001 0.000 0.257 193 G HA3 0.115 4.075 3.960 0.001 0.000 0.257 193 G C 0.783 175.744 174.900 0.101 0.000 1.238 193 G CA -0.359 44.773 45.100 0.053 0.000 0.838 193 G HN 0.232 nan 8.290 nan 0.000 0.547 194 K N 0.651 121.107 120.400 0.093 0.000 2.442 194 K HA -0.007 4.313 4.320 0.001 0.000 0.198 194 K C 0.389 177.107 176.600 0.196 0.000 1.042 194 K CA 0.835 57.212 56.287 0.149 0.000 0.958 194 K CB 0.184 32.751 32.500 0.110 0.000 0.766 194 K HN 0.307 nan 8.250 nan 0.000 0.474 195 N N 1.194 119.964 118.700 0.116 0.000 2.338 195 N HA 0.012 4.753 4.740 0.001 0.000 0.251 195 N C 0.444 176.015 175.510 0.102 0.000 1.199 195 N CA 0.298 53.425 53.050 0.128 0.000 0.879 195 N CB 1.327 39.807 38.487 -0.011 0.000 1.159 195 N HN 0.355 nan 8.380 nan 0.000 0.514 196 S N -0.525 115.184 115.700 0.014 0.000 2.470 196 S HA -0.064 4.406 4.470 0.001 0.000 0.225 196 S C 0.522 175.096 174.600 -0.043 0.000 1.006 196 S CA 0.177 58.404 58.200 0.045 0.000 0.934 196 S CB -0.362 62.884 63.200 0.077 0.000 0.778 196 S HN 0.327 nan 8.310 nan 0.000 0.517 197 Y N 0.612 120.230 120.300 -1.138 0.000 4.177 197 Y HA -0.218 4.333 4.550 0.001 0.000 0.227 197 Y C 0.039 175.284 175.900 -1.093 0.000 1.154 197 Y CA 0.859 57.842 58.100 -1.862 0.000 1.887 197 Y CB -2.554 35.412 38.460 -0.823 0.000 1.594 197 Y HN 0.566 nan 8.280 nan 0.000 0.668 198 H N 0.236 119.045 119.070 -0.435 0.000 2.679 198 H HA 0.612 5.168 4.556 0.001 0.000 0.360 198 H C 0.586 176.049 175.328 0.224 0.000 1.105 198 H CA -0.431 55.605 56.048 -0.019 0.000 1.196 198 H CB 1.167 30.921 29.762 -0.013 0.000 1.636 198 H HN 0.172 nan 8.280 nan 0.000 0.531 199 N N 0.439 119.319 118.700 0.299 0.000 1.856 199 N HA 0.039 4.779 4.740 0.001 0.000 0.223 199 N C 0.984 176.609 175.510 0.191 0.000 1.438 199 N CA 0.335 53.542 53.050 0.262 0.000 0.693 199 N CB 0.016 38.674 38.487 0.285 0.000 1.051 199 N HN 0.831 nan 8.380 nan 0.000 0.563 200 G N 0.531 109.444 108.800 0.189 0.000 2.180 200 G HA2 -0.368 3.593 3.960 0.001 0.000 0.263 200 G HA3 -0.368 3.593 3.960 0.001 0.000 0.263 200 G C -0.409 174.591 174.900 0.168 0.000 0.989 200 G CA 1.057 46.261 45.100 0.174 0.000 0.692 200 G HN 0.599 nan 8.290 nan 0.000 0.526 201 K N 0.083 120.591 120.400 0.179 0.000 2.118 201 K HA 0.671 4.992 4.320 0.001 0.000 0.254 201 K C -0.264 176.458 176.600 0.202 0.000 0.961 201 K CA -0.381 56.002 56.287 0.160 0.000 0.876 201 K CB 1.563 34.145 32.500 0.137 0.000 1.077 201 K HN 0.078 nan 8.250 nan 0.000 0.440 202 T N 0.299 114.956 114.554 0.172 0.000 2.893 202 T HA 0.266 4.617 4.350 0.001 0.000 0.293 202 T C 0.873 175.688 174.700 0.192 0.000 1.027 202 T CA -0.798 61.416 62.100 0.189 0.000 0.988 202 T CB 1.866 70.808 68.868 0.124 0.000 1.043 202 T HN 0.755 nan 8.240 nan 0.000 0.461 203 G N 1.676 110.622 108.800 0.244 0.000 2.456 203 G HA2 0.268 4.228 3.960 0.001 0.000 0.213 203 G HA3 0.268 4.228 3.960 0.001 0.000 0.213 203 G C 0.179 175.267 174.900 0.314 0.000 1.215 203 G CA 0.390 45.690 45.100 0.333 0.000 0.805 203 G HN 0.653 nan 8.290 nan 0.000 0.537 204 I N 0.202 120.900 120.570 0.213 0.000 2.499 204 I HA 0.378 4.549 4.170 0.001 0.000 0.288 204 I C -1.250 174.893 176.117 0.044 0.000 1.048 204 I CA -0.514 60.822 61.300 0.060 0.000 1.062 204 I CB 2.636 40.506 38.000 -0.217 0.000 1.238 204 I HN 0.227 nan 8.210 nan 0.000 0.426 205 E N 6.165 126.414 120.200 0.082 0.000 2.246 205 E HA 0.526 4.876 4.350 0.001 0.000 0.266 205 E C -1.833 174.835 176.600 0.113 0.000 0.880 205 E CA -0.617 55.825 56.400 0.070 0.000 0.762 205 E CB 2.122 31.850 29.700 0.047 0.000 1.180 205 E HN 0.324 nan 8.360 nan 0.000 0.416 206 V N 4.507 124.483 119.914 0.103 0.000 2.311 206 V HA 0.412 4.533 4.120 0.001 0.000 0.275 206 V C 0.701 176.824 176.094 0.049 0.000 1.022 206 V CA 0.093 62.470 62.300 0.128 0.000 0.830 206 V CB 0.785 32.693 31.823 0.142 0.000 1.012 206 V HN 0.883 nan 8.190 nan 0.000 0.452 207 A N 3.648 126.499 122.820 0.051 0.000 2.195 207 A HA 0.342 4.662 4.320 0.001 0.000 0.210 207 A C 1.106 178.690 177.584 -0.000 0.000 1.165 207 A CA 0.223 52.271 52.037 0.018 0.000 0.806 207 A CB 0.215 19.229 19.000 0.024 0.000 0.847 207 A HN 0.622 nan 8.150 nan 0.000 0.482 208 S N 0.841 116.539 115.700 -0.002 0.000 2.621 208 S HA 0.395 4.865 4.470 0.001 0.000 0.302 208 S C -1.054 173.498 174.600 -0.080 0.000 1.093 208 S CA -0.782 57.404 58.200 -0.024 0.000 1.017 208 S CB 0.963 64.164 63.200 0.002 0.000 1.077 208 S HN 0.378 nan 8.310 nan 0.000 0.517 209 D N 2.689 123.039 120.400 -0.083 0.000 2.493 209 D HA 0.160 4.801 4.640 0.001 0.000 0.240 209 D C -0.027 176.164 176.300 -0.181 0.000 1.142 209 D CA 0.578 54.503 54.000 -0.124 0.000 0.872 209 D CB 0.046 40.793 40.800 -0.089 0.000 1.173 209 D HN 0.642 nan 8.370 nan 0.000 0.467 210 N N -0.080 118.434 118.700 -0.311 0.000 2.321 210 N HA 0.543 5.284 4.740 0.001 0.000 0.290 210 N C -1.647 173.652 175.510 -0.351 0.000 1.212 210 N CA -0.980 51.759 53.050 -0.519 0.000 0.767 210 N CB 2.139 39.769 38.487 -1.428 0.000 1.494 210 N HN 0.089 nan 8.380 nan 0.000 0.479 211 D N -0.819 119.487 120.400 -0.157 0.000 2.780 211 D HA 0.420 5.060 4.640 0.001 0.000 0.242 211 D C -0.795 175.632 176.300 0.211 0.000 1.135 211 D CA -0.262 53.743 54.000 0.009 0.000 0.859 211 D CB 1.537 42.356 40.800 0.032 0.000 1.530 211 D HN 0.637 nan 8.370 nan 0.000 0.493 212 S N 1.891 117.696 115.700 0.176 0.000 3.682 212 S HA -0.200 4.270 4.470 0.001 0.000 0.354 212 S C -0.238 174.589 174.600 0.379 0.000 1.034 212 S CA -0.012 58.320 58.200 0.220 0.000 1.084 212 S CB -1.492 61.809 63.200 0.169 0.000 0.903 212 S HN 0.387 nan 8.310 nan 0.000 0.470 213 F N 1.579 121.583 119.950 0.090 0.000 2.418 213 F HA 0.531 5.058 4.527 0.001 0.000 0.341 213 F C 0.839 176.759 175.800 0.200 0.000 1.120 213 F CA -0.456 57.623 58.000 0.133 0.000 1.232 213 F CB 0.693 39.773 39.000 0.134 0.000 1.175 213 F HN 0.394 nan 8.300 nan 0.000 0.569 214 H N 3.510 122.691 119.070 0.185 0.000 2.744 214 H HA 0.500 5.056 4.556 0.001 0.000 0.339 214 H C -1.392 174.023 175.328 0.145 0.000 1.004 214 H CA -0.927 55.199 56.048 0.131 0.000 1.257 214 H CB 0.673 30.476 29.762 0.068 0.000 1.552 214 H HN 0.289 nan 8.280 nan 0.000 0.522 215 I N 5.311 125.898 120.570 0.027 0.000 2.437 215 I HA 0.267 4.438 4.170 0.001 0.000 0.279 215 I C 0.109 176.134 176.117 -0.153 0.000 1.028 215 I CA -0.195 61.101 61.300 -0.008 0.000 1.142 215 I CB 0.867 38.941 38.000 0.124 0.000 1.266 215 I HN 0.587 nan 8.210 nan 0.000 0.461 216 T N 3.322 117.712 114.554 -0.273 0.000 2.883 216 T HA 0.761 5.111 4.350 0.001 0.000 0.301 216 T C 0.033 174.665 174.700 -0.113 0.000 1.158 216 T CA 0.505 62.486 62.100 -0.199 0.000 1.007 216 T CB 1.899 70.585 68.868 -0.303 0.000 1.186 216 T HN 1.097 nan 8.240 nan 0.000 0.499 220 F N 1.460 121.534 119.950 0.208 0.000 2.482 220 F HA 0.798 5.325 4.527 0.001 0.000 0.331 220 F C 0.184 176.183 175.800 0.331 0.000 1.115 220 F CA -1.070 57.050 58.000 0.200 0.000 0.955 220 F CB 2.685 41.763 39.000 0.129 0.000 1.136 220 F HN 0.403 nan 8.300 nan 0.000 0.452 221 V N 4.061 124.257 119.914 0.470 0.000 2.891 221 V HA 0.406 4.527 4.120 0.001 0.000 0.304 221 V C -1.169 175.165 176.094 0.400 0.000 1.171 221 V CA -0.691 61.885 62.300 0.459 0.000 0.943 221 V CB 1.496 33.488 31.823 0.282 0.000 1.037 221 V HN 0.629 nan 8.190 nan 0.000 0.427 222 Y N 4.148 124.554 120.300 0.177 0.000 3.389 222 Y HA -0.195 4.356 4.550 0.001 0.000 0.213 222 Y C -0.206 175.690 175.900 -0.006 0.000 1.272 222 Y CA 0.972 59.016 58.100 -0.094 0.000 1.444 222 Y CB -1.217 37.004 38.460 -0.398 0.000 1.445 222 Y HN 0.487 nan 8.280 nan 0.000 0.583 223 L N -0.127 121.297 121.223 0.335 0.000 2.329 223 L HA 0.283 4.624 4.340 0.001 0.000 0.279 223 L C 1.616 178.657 176.870 0.285 0.000 1.014 223 L CA -0.580 54.434 54.840 0.289 0.000 0.814 223 L CB 1.702 43.931 42.059 0.284 0.000 1.257 223 L HN 0.148 nan 8.230 nan 0.000 0.424 224 E N 1.382 121.712 120.200 0.216 0.000 2.110 224 E HA -0.106 4.245 4.350 0.001 0.000 0.193 224 E C -0.152 176.265 176.600 -0.304 0.000 0.988 224 E CA 1.068 57.451 56.400 -0.029 0.000 0.804 224 E CB 0.325 30.002 29.700 -0.038 0.000 0.745 224 E HN 0.459 nan 8.360 nan 0.000 0.458 225 H N -1.669 117.444 119.070 0.071 0.000 2.924 225 H HA 0.318 4.875 4.556 0.001 0.000 0.333 225 H C 0.051 175.393 175.328 0.024 0.000 0.979 225 H CA 0.028 56.087 56.048 0.018 0.000 1.326 225 H CB 2.008 31.773 29.762 0.005 0.000 1.600 225 H HN 0.129 nan 8.280 nan 0.000 0.520 226 A N 3.697 126.533 122.820 0.026 0.000 1.831 226 A HA 0.035 4.356 4.320 0.001 0.000 0.213 226 A C 0.487 177.905 177.584 -0.276 0.000 1.223 226 A CA 0.894 52.854 52.037 -0.128 0.000 0.604 226 A CB 0.137 18.891 19.000 -0.409 0.000 0.878 226 A HN 0.412 nan 8.150 nan 0.000 0.450 227 L N -0.473 120.528 121.223 -0.370 0.000 2.385 227 L HA 0.696 5.037 4.340 0.001 0.000 0.273 227 L C -1.297 175.506 176.870 -0.113 0.000 0.990 227 L CA -0.318 54.358 54.840 -0.272 0.000 0.821 227 L CB 1.721 43.524 42.059 -0.427 0.000 1.279 227 L HN 0.333 nan 8.230 nan 0.000 0.412 228 I N 5.396 125.937 120.570 -0.048 0.000 2.498 228 I HA 0.589 4.760 4.170 0.001 0.000 0.290 228 I C -1.181 174.936 176.117 0.000 0.000 1.032 228 I CA -0.844 60.441 61.300 -0.024 0.000 1.073 228 I CB 2.223 40.205 38.000 -0.031 0.000 1.251 228 I HN 0.277 nan 8.210 nan 0.000 0.426 229 V N 5.973 125.889 119.914 0.003 0.000 2.509 229 V HA 0.393 4.514 4.120 0.001 0.000 0.289 229 V C -0.245 175.852 176.094 0.006 0.000 1.026 229 V CA -0.635 61.673 62.300 0.012 0.000 0.872 229 V CB 1.734 33.575 31.823 0.030 0.000 1.017 229 V HN 0.689 nan 8.190 nan 0.000 0.436 230 R N 2.998 123.489 120.500 -0.016 0.000 2.349 230 R HA 0.571 4.912 4.340 0.001 0.000 0.299 230 R C 1.068 177.331 176.300 -0.061 0.000 1.027 230 R CA 0.761 56.847 56.100 -0.022 0.000 0.958 230 R CB 1.224 31.509 30.300 -0.025 0.000 1.047 230 R HN 1.181 nan 8.270 nan 0.000 0.468 231 G N 2.487 111.247 108.800 -0.066 0.000 2.338 231 G HA2 -0.293 3.667 3.960 0.001 0.000 0.296 231 G HA3 -0.293 3.667 3.960 0.001 0.000 0.296 231 G C -0.044 174.765 174.900 -0.150 0.000 1.040 231 G CA 0.319 45.350 45.100 -0.115 0.000 1.004 231 G HN 0.820 nan 8.290 nan 0.000 0.509 232 A N 0.020 122.767 122.820 -0.122 0.000 2.409 232 A HA 0.585 4.906 4.320 0.001 0.000 0.262 232 A C 0.270 177.777 177.584 -0.128 0.000 1.113 232 A CA 0.148 52.117 52.037 -0.113 0.000 0.790 232 A CB 0.702 19.713 19.000 0.018 0.000 1.046 232 A HN 0.426 nan 8.150 nan 0.000 0.496 233 D N 1.555 121.887 120.400 -0.112 0.000 2.686 233 D HA 0.463 5.104 4.640 0.001 0.000 0.249 233 D C 0.277 176.563 176.300 -0.024 0.000 1.260 233 D CA 0.716 54.667 54.000 -0.082 0.000 0.910 233 D CB 1.443 42.190 40.800 -0.089 0.000 1.323 233 D HN 1.357 nan 8.370 nan 0.000 0.561 234 A N 2.749 125.569 122.820 -0.000 0.000 2.872 234 A HA -0.241 4.079 4.320 0.001 0.000 0.273 234 A C 0.142 177.765 177.584 0.066 0.000 1.442 234 A CA 0.691 52.746 52.037 0.029 0.000 0.801 234 A CB -2.117 16.901 19.000 0.029 0.000 1.031 234 A HN 0.526 nan 8.150 nan 0.000 0.582 235 L N -0.191 121.077 121.223 0.075 0.000 2.439 235 L HA 0.667 5.007 4.340 0.001 0.000 0.269 235 L C 0.661 177.611 176.870 0.134 0.000 1.179 235 L CA 0.432 55.348 54.840 0.128 0.000 0.828 235 L CB 0.663 42.790 42.059 0.114 0.000 1.106 235 L HN 0.404 nan 8.230 nan 0.000 0.467 236 R N 3.600 124.217 120.500 0.194 0.000 2.502 236 R HA 0.631 4.972 4.340 0.001 0.000 0.298 236 R C -2.074 174.373 176.300 0.246 0.000 1.018 236 R CA -0.605 55.617 56.100 0.203 0.000 0.899 236 R CB 1.526 31.944 30.300 0.196 0.000 1.181 236 R HN 0.558 nan 8.270 nan 0.000 0.444 237 V N 6.404 126.407 119.914 0.149 0.000 2.349 237 V HA 0.435 4.556 4.120 0.001 0.000 0.284 237 V C -0.845 175.295 176.094 0.075 0.000 1.014 237 V CA -0.839 61.521 62.300 0.099 0.000 0.826 237 V CB 1.287 33.142 31.823 0.053 0.000 1.009 237 V HN 0.882 nan 8.190 nan 0.000 0.431 238 N N 2.721 121.465 118.700 0.075 0.000 2.484 238 N HA 0.276 5.017 4.740 0.001 0.000 0.269 238 N C -0.442 175.085 175.510 0.028 0.000 1.237 238 N CA -0.520 52.563 53.050 0.055 0.000 0.838 238 N CB 2.082 40.627 38.487 0.096 0.000 1.593 238 N HN 0.428 nan 8.380 nan 0.000 0.485 239 D N -0.288 120.116 120.400 0.007 0.000 2.772 239 D HA -0.146 4.494 4.640 0.001 0.000 0.233 239 D C -0.912 175.387 176.300 -0.002 0.000 1.143 239 D CA 0.811 54.808 54.000 -0.005 0.000 0.700 239 D CB -0.981 39.819 40.800 -0.000 0.000 1.076 239 D HN 0.666 nan 8.370 nan 0.000 0.430 243 A N 3.687 126.648 122.820 0.236 0.000 2.609 243 A HA 0.836 5.157 4.320 0.001 0.000 0.291 243 A C -0.087 177.794 177.584 0.496 0.000 1.096 243 A CA -0.415 51.794 52.037 0.286 0.000 0.684 243 A CB 1.603 20.741 19.000 0.229 0.000 1.282 243 A HN 0.746 nan 8.150 nan 0.000 0.412 244 E N -1.138 119.364 120.200 0.504 0.000 2.416 244 E HA -0.193 4.158 4.350 0.001 0.000 0.249 244 E C -0.574 176.423 176.600 0.663 0.000 1.124 244 E CA 0.737 57.519 56.400 0.636 0.000 0.732 244 E CB -1.923 28.202 29.700 0.709 0.000 1.286 244 E HN 0.658 nan 8.360 nan 0.000 0.394 245 C N -1.081 118.534 119.300 0.526 0.000 2.614 245 C HA 0.541 5.002 4.460 0.001 0.000 0.320 245 C C 2.079 177.230 174.990 0.268 0.000 1.200 245 C CA -0.063 59.203 59.018 0.413 0.000 1.700 245 C CB 1.384 29.268 27.740 0.239 0.000 2.275 245 C HN 0.599 nan 8.230 nan 0.000 0.492 246 G N 1.442 110.306 108.800 0.108 0.000 2.402 246 G HA2 -0.018 3.943 3.960 0.001 0.000 0.216 246 G HA3 -0.018 3.943 3.960 0.001 0.000 0.216 246 G C 0.127 174.872 174.900 -0.258 0.000 1.162 246 G CA 0.827 45.811 45.100 -0.193 0.000 0.777 246 G HN 0.806 nan 8.290 nan 0.000 0.539 247 N N -2.351 116.223 118.700 -0.210 0.000 2.235 247 N HA 0.423 5.163 4.740 0.001 0.000 0.293 247 N C -0.140 175.310 175.510 -0.099 0.000 1.083 247 N CA -0.691 52.261 53.050 -0.163 0.000 0.801 247 N CB 2.156 40.552 38.487 -0.151 0.000 1.559 247 N HN -0.018 nan 8.380 nan 0.000 0.472 248 C N -0.004 119.229 119.300 -0.111 0.000 3.082 248 C HA 0.354 4.815 4.460 0.001 0.000 0.281 248 C C 0.473 175.351 174.990 -0.187 0.000 1.450 248 C CA -0.035 58.895 59.018 -0.147 0.000 1.688 248 C CB -0.036 27.614 27.740 -0.150 0.000 2.049 248 C HN 0.461 nan 8.230 nan 0.000 0.641 249 V N 1.943 121.769 119.914 -0.147 0.000 2.444 249 V HA 0.374 4.494 4.120 0.001 0.000 0.294 249 V C -0.930 175.116 176.094 -0.080 0.000 1.022 249 V CA -0.063 62.157 62.300 -0.133 0.000 0.850 249 V CB 1.245 32.992 31.823 -0.127 0.000 0.992 249 V HN 0.476 nan 8.190 nan 0.000 0.426 250 E N 5.369 125.534 120.200 -0.059 0.000 2.207 250 E HA 0.448 4.799 4.350 0.001 0.000 0.250 250 E C -1.080 175.503 176.600 -0.029 0.000 0.890 250 E CA -0.404 55.977 56.400 -0.031 0.000 0.749 250 E CB 1.643 31.345 29.700 0.003 0.000 1.193 250 E HN 0.572 nan 8.360 nan 0.000 0.423 251 L N 3.880 125.073 121.223 -0.050 0.000 2.352 251 L HA 0.248 4.589 4.340 0.001 0.000 0.272 251 L C 0.700 177.597 176.870 0.045 0.000 1.109 251 L CA -0.519 54.311 54.840 -0.017 0.000 0.952 251 L CB -0.258 41.686 42.059 -0.191 0.000 1.314 251 L HN 0.471 nan 8.230 nan 0.000 0.427 252 T N -1.895 112.687 114.554 0.047 0.000 2.862 252 T HA 0.722 5.072 4.350 0.001 0.000 0.276 252 T C 1.146 175.871 174.700 0.042 0.000 0.974 252 T CA 0.251 62.375 62.100 0.041 0.000 0.966 252 T CB 2.089 70.963 68.868 0.010 0.000 1.072 252 T HN 0.683 nan 8.240 nan 0.000 0.538 253 G N 0.998 109.810 108.800 0.020 0.000 5.306 253 G HA2 0.194 4.155 3.960 0.001 0.000 0.318 253 G HA3 0.194 4.155 3.960 0.001 0.000 0.318 253 G C 0.239 175.130 174.900 -0.016 0.000 1.413 253 G CA 0.741 45.838 45.100 -0.005 0.000 0.981 253 G HN 2.193 nan 8.290 nan 0.000 0.788 254 A N -1.764 121.027 122.820 -0.049 0.000 2.490 254 A HA 0.946 5.266 4.320 0.001 0.000 0.292 254 A C 0.003 177.349 177.584 -0.397 0.000 1.047 254 A CA 0.881 52.832 52.037 -0.143 0.000 0.632 254 A CB 0.659 19.583 19.000 -0.126 0.000 1.323 254 A HN 2.539 nan 8.150 nan 0.000 0.448 255 G N -0.922 107.445 108.800 -0.721 0.000 2.576 255 G HA2 0.626 4.586 3.960 0.001 0.000 0.290 255 G HA3 0.626 4.586 3.960 0.001 0.000 0.290 255 G C -1.915 172.629 174.900 -0.593 0.000 1.442 255 G CA -0.372 44.116 45.100 -1.020 0.000 0.792 255 G HN 0.786 nan 8.290 nan 0.000 0.491 256 Q N -0.808 118.785 119.800 -0.346 0.000 2.377 256 Q HA 0.553 4.893 4.340 0.001 0.000 0.279 256 Q C -0.034 175.926 176.000 -0.065 0.000 1.049 256 Q CA -0.463 55.245 55.803 -0.159 0.000 0.825 256 Q CB 2.583 31.250 28.738 -0.119 0.000 1.401 256 Q HN 2.028 nan 8.270 nan 0.000 0.404 257 A N 1.461 124.265 122.820 -0.027 0.000 2.151 257 A HA -0.192 4.128 4.320 0.001 0.000 0.271 257 A C -0.180 177.419 177.584 0.027 0.000 1.348 257 A CA 1.266 53.304 52.037 0.003 0.000 0.763 257 A CB -1.555 17.443 19.000 -0.004 0.000 1.117 257 A HN 0.486 nan 8.150 nan 0.000 0.342 258 T N 0.838 115.429 114.554 0.061 0.000 2.902 258 T HA 0.693 5.044 4.350 0.001 0.000 0.283 258 T C 0.215 174.950 174.700 0.059 0.000 1.009 258 T CA -0.212 61.937 62.100 0.082 0.000 1.051 258 T CB 1.217 70.181 68.868 0.160 0.000 0.999 258 T HN 0.434 nan 8.240 nan 0.000 0.474 259 I N 2.097 122.701 120.570 0.056 0.000 2.466 259 I HA 0.468 4.639 4.170 0.001 0.000 0.289 259 I C -0.953 175.191 176.117 0.045 0.000 1.026 259 I CA -0.978 60.349 61.300 0.045 0.000 1.078 259 I CB 2.117 40.141 38.000 0.041 0.000 1.249 259 I HN 0.238 nan 8.210 nan 0.000 0.429 260 V N 5.317 125.248 119.914 0.029 0.000 2.357 260 V HA 0.486 4.607 4.120 0.001 0.000 0.281 260 V C -0.235 175.861 176.094 0.003 0.000 1.015 260 V CA -0.253 62.057 62.300 0.015 0.000 0.827 260 V CB 1.343 33.165 31.823 -0.001 0.000 1.018 260 V HN 0.895 nan 8.190 nan 0.000 0.432 261 S N 2.237 117.939 115.700 0.003 0.000 2.651 261 S HA 0.798 5.269 4.470 0.001 0.000 0.279 261 S C 0.741 175.323 174.600 -0.030 0.000 1.148 261 S CA -0.055 58.136 58.200 -0.015 0.000 0.837 261 S CB 1.846 65.045 63.200 -0.003 0.000 1.138 261 S HN 2.026 nan 8.310 nan 0.000 0.478 262 G N 1.221 109.987 108.800 -0.057 0.000 2.269 262 G HA2 -0.242 3.719 3.960 0.001 0.000 0.277 262 G HA3 -0.242 3.719 3.960 0.001 0.000 0.277 262 G C -0.156 174.674 174.900 -0.116 0.000 1.008 262 G CA 0.418 45.467 45.100 -0.084 0.000 0.774 262 G HN 0.816 nan 8.290 nan 0.000 0.511 263 N N -0.176 118.453 118.700 -0.119 0.000 2.492 263 N HA 0.472 5.212 4.740 0.001 0.000 0.289 263 N C -0.145 175.258 175.510 -0.177 0.000 1.133 263 N CA -0.395 52.592 53.050 -0.105 0.000 0.961 263 N CB 0.946 39.392 38.487 -0.068 0.000 1.186 263 N HN 0.244 nan 8.380 nan 0.000 0.493 267 A N 1.152 123.898 122.820 -0.123 0.000 3.444 267 A HA 1.046 5.366 4.320 0.001 0.000 0.189 267 A C 0.780 178.158 177.584 -0.344 0.000 1.542 267 A CA -0.131 51.819 52.037 -0.146 0.000 0.867 267 A CB 0.712 19.601 19.000 -0.185 0.000 1.712 267 A HN 1.946 nan 8.150 nan 0.000 0.556 268 G N -2.252 106.208 108.800 -0.566 0.000 2.498 268 G HA2 0.521 4.482 3.960 0.001 0.000 0.312 268 G HA3 0.521 4.482 3.960 0.001 0.000 0.312 268 G C -2.426 172.116 174.900 -0.595 0.000 1.230 268 G CA -1.331 43.072 45.100 -1.161 0.000 0.968 268 G HN 0.236 nan 8.290 nan 0.000 0.481 269 P HA -0.116 nan 4.420 nan 0.000 0.217 269 P C 0.700 177.846 177.300 -0.256 0.000 1.151 269 P CA 1.249 64.192 63.100 -0.262 0.000 0.849 269 P CB 0.335 31.936 31.700 -0.165 0.000 0.787 270 D N -1.537 118.727 120.400 -0.227 0.000 2.388 270 D HA 0.208 4.848 4.640 0.001 0.000 0.221 270 D C 1.085 177.278 176.300 -0.177 0.000 1.133 270 D CA 0.323 54.233 54.000 -0.149 0.000 0.831 270 D CB 0.426 41.215 40.800 -0.017 0.000 0.962 270 D HN 0.147 nan 8.370 nan 0.000 0.502 271 G N 0.165 108.826 108.800 -0.232 0.000 2.816 271 G HA2 0.567 4.527 3.960 0.001 0.000 0.288 271 G HA3 0.567 4.527 3.960 0.001 0.000 0.288 271 G C -0.489 174.314 174.900 -0.162 0.000 1.334 271 G CA -0.600 44.374 45.100 -0.210 0.000 0.978 271 G HN 0.003 nan 8.290 nan 0.000 0.493 272 V N -2.556 117.281 119.914 -0.128 0.000 2.850 272 V HA 0.748 4.868 4.120 0.001 0.000 0.315 272 V C 0.686 176.709 176.094 -0.117 0.000 1.064 272 V CA -0.125 62.115 62.300 -0.101 0.000 0.979 272 V CB 1.238 33.026 31.823 -0.060 0.000 1.039 272 V HN 0.700 nan 8.190 nan 0.000 0.452 273 T N 2.350 116.832 114.554 -0.120 0.000 2.914 273 T HA 0.270 4.621 4.350 0.001 0.000 0.240 273 T C 0.170 174.796 174.700 -0.122 0.000 1.025 273 T CA 1.017 63.029 62.100 -0.147 0.000 1.198 273 T CB -0.121 68.638 68.868 -0.182 0.000 0.892 273 T HN 0.569 nan 8.240 nan 0.000 0.417 274 L N 1.860 123.023 121.223 -0.100 0.000 2.349 274 L HA 0.737 5.077 4.340 0.001 0.000 0.278 274 L C -1.585 175.276 176.870 -0.015 0.000 0.996 274 L CA -0.989 53.812 54.840 -0.064 0.000 0.825 274 L CB 1.430 43.456 42.059 -0.056 0.000 1.243 274 L HN 0.149 nan 8.230 nan 0.000 0.412 275 L N 5.347 126.566 121.223 -0.008 0.000 2.385 275 L HA 0.975 5.315 4.340 0.001 0.000 0.273 275 L C -1.064 175.803 176.870 -0.004 0.000 0.990 275 L CA -0.233 54.624 54.840 0.029 0.000 0.821 275 L CB 1.801 43.865 42.059 0.008 0.000 1.279 275 L HN 0.757 nan 8.230 nan 0.000 0.412 276 A N 4.132 126.973 122.820 0.035 0.000 2.359 276 A HA 0.767 5.088 4.320 0.001 0.000 0.303 276 A C -1.063 176.487 177.584 -0.056 0.000 1.066 276 A CA -0.532 51.398 52.037 -0.177 0.000 0.730 276 A CB 0.923 19.630 19.000 -0.488 0.000 1.211 276 A HN 0.733 nan 8.150 nan 0.000 0.439 277 E N 2.587 122.806 120.200 0.031 0.000 2.155 277 E HA 0.306 4.656 4.350 0.001 0.000 0.264 277 E C -0.801 175.867 176.600 0.113 0.000 0.886 277 E CA -0.966 55.478 56.400 0.073 0.000 0.752 277 E CB 0.890 30.624 29.700 0.057 0.000 1.133 277 E HN 0.652 nan 8.360 nan 0.000 0.414 278 N N 2.985 121.712 118.700 0.045 0.000 2.714 278 N HA -0.204 4.537 4.740 0.001 0.000 0.253 278 N C -0.884 174.615 175.510 -0.019 0.000 1.024 278 N CA 0.913 53.966 53.050 0.006 0.000 0.726 278 N CB -1.215 37.266 38.487 -0.011 0.000 0.908 278 N HN 0.602 nan 8.380 nan 0.000 0.542 279 H N 0.254 119.227 119.070 -0.162 0.000 2.502 279 H HA 0.444 5.000 4.556 0.001 0.000 0.338 279 H C 0.139 175.364 175.328 -0.172 0.000 1.155 279 H CA -0.319 55.619 56.048 -0.183 0.000 1.237 279 H CB 1.969 31.570 29.762 -0.269 0.000 1.534 279 H HN 0.316 nan 8.280 nan 0.000 0.523 280 E N -0.053 120.106 120.200 -0.068 0.000 2.308 280 E HA 0.363 4.714 4.350 0.001 0.000 0.275 280 E C 0.146 176.724 176.600 -0.038 0.000 0.890 280 E CA -0.106 56.259 56.400 -0.058 0.000 0.754 280 E CB 1.254 30.914 29.700 -0.067 0.000 1.207 280 E HN 0.817 nan 8.360 nan 0.000 0.426 281 G N 3.000 111.787 108.800 -0.021 0.000 2.148 281 G HA2 -0.279 3.682 3.960 0.001 0.000 0.254 281 G HA3 -0.279 3.682 3.960 0.001 0.000 0.254 281 G C -0.183 174.724 174.900 0.012 0.000 0.981 281 G CA 0.312 45.410 45.100 -0.004 0.000 0.670 281 G HN 0.543 nan 8.290 nan 0.000 0.528 282 L N 0.535 121.760 121.223 0.004 0.000 2.416 282 L HA 0.671 5.012 4.340 0.001 0.000 0.272 282 L C 0.315 177.203 176.870 0.030 0.000 1.161 282 L CA -0.192 54.652 54.840 0.008 0.000 0.845 282 L CB 0.847 42.839 42.059 -0.112 0.000 1.119 282 L HN 0.193 nan 8.230 nan 0.000 0.464 283 L N 6.077 127.324 121.223 0.041 0.000 2.325 283 L HA 0.546 4.886 4.340 0.001 0.000 0.281 283 L C -1.266 175.637 176.870 0.054 0.000 1.004 283 L CA -0.702 54.168 54.840 0.050 0.000 0.823 283 L CB 1.818 43.898 42.059 0.034 0.000 1.236 283 L HN 0.391 nan 8.230 nan 0.000 0.415 284 V N 3.030 122.987 119.914 0.071 0.000 2.376 284 V HA 0.585 4.706 4.120 0.001 0.000 0.287 284 V C -0.101 176.004 176.094 0.018 0.000 1.015 284 V CA -0.366 61.964 62.300 0.050 0.000 0.834 284 V CB 1.782 33.659 31.823 0.090 0.000 1.001 284 V HN 0.872 nan 8.190 nan 0.000 0.428 285 T N 0.102 114.655 114.554 -0.002 0.000 2.894 285 T HA 0.637 4.987 4.350 0.001 0.000 0.309 285 T C 0.620 175.301 174.700 -0.032 0.000 1.208 285 T CA -0.033 62.059 62.100 -0.014 0.000 1.016 285 T CB 1.741 70.608 68.868 -0.003 0.000 1.192 285 T HN 1.748 nan 8.240 nan 0.000 0.491 286 G N 2.031 110.807 108.800 -0.040 0.000 2.341 286 G HA2 -0.230 3.730 3.960 0.001 0.000 0.292 286 G HA3 -0.230 3.730 3.960 0.001 0.000 0.292 286 G C -0.088 174.757 174.900 -0.091 0.000 1.021 286 G CA 0.033 45.099 45.100 -0.057 0.000 0.905 286 G HN 0.968 nan 8.290 nan 0.000 0.508 287 N N 0.071 118.712 118.700 -0.098 0.000 2.466 287 N HA 0.339 5.079 4.740 0.001 0.000 0.294 287 N C -0.777 174.643 175.510 -0.151 0.000 1.129 287 N CA -0.635 52.331 53.050 -0.139 0.000 0.931 287 N CB 1.111 39.524 38.487 -0.124 0.000 1.193 287 N HN 0.159 nan 8.380 nan 0.000 0.500 288 N N 2.202 120.786 118.700 -0.194 0.000 2.626 288 N HA 0.263 5.003 4.740 0.001 0.000 0.249 288 N C -1.351 174.077 175.510 -0.137 0.000 1.021 288 N CA -0.278 52.707 53.050 -0.108 0.000 0.886 288 N CB 0.402 38.847 38.487 -0.071 0.000 1.149 288 N HN 0.425 nan 8.380 nan 0.000 0.517 289 L N 4.378 125.481 121.223 -0.200 0.000 2.264 289 L HA 0.507 4.848 4.340 0.001 0.000 0.289 289 L C -0.087 176.609 176.870 -0.290 0.000 1.044 289 L CA -0.861 53.748 54.840 -0.386 0.000 0.807 289 L CB 0.176 42.063 42.059 -0.287 0.000 1.192 289 L HN 0.296 nan 8.230 nan 0.000 0.425 290 F N 1.786 121.658 119.950 -0.131 0.000 2.631 290 F HA 0.771 5.299 4.527 0.001 0.000 0.350 290 F C -2.478 173.155 175.800 -0.278 0.000 1.080 290 F CA -3.814 54.069 58.000 -0.193 0.000 1.026 290 F CB -0.697 38.211 39.000 -0.152 0.000 1.347 290 F HN 0.167 nan 8.300 nan 0.000 0.501 291 P HA -0.039 nan 4.420 nan 0.000 0.257 291 P C -0.725 176.429 177.300 -0.244 0.000 1.144 291 P CA 0.728 63.541 63.100 -0.478 0.000 0.761 291 P CB 0.046 31.187 31.700 -0.932 0.000 0.734 292 R N 2.327 122.724 120.500 -0.173 0.000 2.570 292 R HA 0.409 4.750 4.340 0.001 0.000 0.246 292 R C 0.326 176.588 176.300 -0.063 0.000 1.417 292 R CA -0.740 55.280 56.100 -0.134 0.000 1.525 292 R CB -0.101 30.179 30.300 -0.032 0.000 1.403 292 R HN 0.415 nan 8.270 nan 0.000 0.754 293 G N 1.383 110.113 108.800 -0.117 0.000 2.732 293 G HA2 -0.054 3.906 3.960 0.001 0.000 0.244 293 G HA3 -0.054 3.906 3.960 0.001 0.000 0.244 293 G C 0.794 175.713 174.900 0.032 0.000 1.226 293 G CA -0.621 44.416 45.100 -0.105 0.000 0.860 293 G HN 0.613 nan 8.290 nan 0.000 0.583 294 R N -1.216 119.247 120.500 -0.061 0.000 2.153 294 R HA 0.099 4.440 4.340 0.001 0.000 0.218 294 R C 0.755 177.051 176.300 -0.007 0.000 1.072 294 R CA 1.155 57.208 56.100 -0.077 0.000 0.990 294 R CB -0.216 29.991 30.300 -0.154 0.000 0.889 294 R HN 0.464 nan 8.270 nan 0.000 0.452 295 S N -1.210 114.473 115.700 -0.029 0.000 2.638 295 S HA 0.420 4.890 4.470 0.001 0.000 0.274 295 S C 0.274 174.833 174.600 -0.068 0.000 1.157 295 S CA -1.106 57.078 58.200 -0.027 0.000 0.826 295 S CB 1.627 64.807 63.200 -0.032 0.000 1.139 295 S HN 0.070 nan 8.310 nan 0.000 0.474 296 L N -0.357 120.815 121.223 -0.085 0.000 2.547 296 L HA 0.551 4.892 4.340 0.001 0.000 0.218 296 L C -0.301 176.488 176.870 -0.134 0.000 1.048 296 L CA 0.419 55.181 54.840 -0.131 0.000 0.859 296 L CB 0.124 42.096 42.059 -0.146 0.000 1.128 296 L HN 0.557 nan 8.230 nan 0.000 0.483 297 I N 0.231 120.719 120.570 -0.136 0.000 2.512 297 I HA 0.244 4.414 4.170 0.001 0.000 0.287 297 I C -0.959 175.044 176.117 -0.191 0.000 1.069 297 I CA -0.222 60.967 61.300 -0.185 0.000 1.056 297 I CB 2.658 40.489 38.000 -0.281 0.000 1.229 297 I HN -0.010 nan 8.210 nan 0.000 0.429 298 E N 6.472 126.614 120.200 -0.097 0.000 2.283 298 E HA 0.446 4.796 4.350 0.001 0.000 0.258 298 E C -1.774 174.961 176.600 0.225 0.000 0.893 298 E CA -0.537 55.861 56.400 -0.003 0.000 0.798 298 E CB 1.360 31.070 29.700 0.017 0.000 1.242 298 E HN 0.239 nan 8.360 nan 0.000 0.414 299 F N 1.894 121.844 119.950 0.001 0.000 2.436 299 F HA 0.364 4.891 4.527 0.001 0.000 0.340 299 F C 0.627 176.440 175.800 0.022 0.000 1.113 299 F CA -0.976 57.025 58.000 0.001 0.000 1.022 299 F CB 2.000 41.005 39.000 0.008 0.000 1.128 299 F HN 0.219 nan 8.300 nan 0.000 0.466 300 T N 1.068 115.735 114.554 0.189 0.000 2.791 300 T HA 0.508 4.858 4.350 0.001 0.000 0.288 300 T C 0.583 175.333 174.700 0.084 0.000 0.999 300 T CA 0.136 62.310 62.100 0.122 0.000 0.952 300 T CB 0.407 69.326 68.868 0.083 0.000 0.938 300 T HN 1.063 nan 8.240 nan 0.000 0.444 301 G N 3.756 112.606 108.800 0.084 0.000 2.249 301 G HA2 -0.225 3.735 3.960 0.001 0.000 0.273 301 G HA3 -0.225 3.735 3.960 0.001 0.000 0.273 301 G C 0.442 175.358 174.900 0.027 0.000 1.036 301 G CA 0.120 45.252 45.100 0.053 0.000 0.824 301 G HN 0.967 nan 8.290 nan 0.000 0.504 302 C N 0.507 119.819 119.300 0.019 0.000 2.405 302 C HA 0.715 5.176 4.460 0.001 0.000 0.365 302 C C 0.441 175.421 174.990 -0.016 0.000 1.233 302 C CA -1.045 57.933 59.018 -0.066 0.000 2.230 302 C CB 0.977 28.523 27.740 -0.323 0.000 2.443 302 C HN 0.588 nan 8.230 nan 0.000 0.556 303 N N 0.436 119.119 118.700 -0.030 0.000 2.240 303 N HA 0.415 5.155 4.740 0.001 0.000 0.302 303 N C -0.484 175.024 175.510 -0.003 0.000 1.106 303 N CA -0.680 52.370 53.050 0.000 0.000 0.778 303 N CB 1.240 39.727 38.487 -0.001 0.000 1.431 303 N HN 0.542 nan 8.380 nan 0.000 0.479 304 R N -0.993 119.519 120.500 0.020 0.000 3.322 304 R HA -0.160 4.180 4.340 0.001 0.000 0.253 304 R C -0.586 175.728 176.300 0.023 0.000 0.987 304 R CA 0.453 56.566 56.100 0.023 0.000 0.666 304 R CB -2.306 28.000 30.300 0.010 0.000 1.072 304 R HN 0.528 nan 8.270 nan 0.000 0.447 305 C N -1.384 117.943 119.300 0.045 0.000 2.423 305 C HA 0.817 5.277 4.460 0.001 0.000 0.378 305 C C 0.896 175.964 174.990 0.130 0.000 1.244 305 C CA -0.513 58.537 59.018 0.052 0.000 1.978 305 C CB 2.093 29.801 27.740 -0.053 0.000 2.252 305 C HN 0.551 nan 8.230 nan 0.000 0.526 306 S N -0.215 115.571 115.700 0.143 0.000 2.547 306 S HA 0.708 5.178 4.470 0.001 0.000 0.281 306 S C -1.628 173.053 174.600 0.135 0.000 1.118 306 S CA -0.351 57.924 58.200 0.124 0.000 0.947 306 S CB 1.125 64.366 63.200 0.069 0.000 1.053 306 S HN 0.549 nan 8.310 nan 0.000 0.482 307 V N 4.857 124.825 119.914 0.089 0.000 2.357 307 V HA 0.569 4.689 4.120 0.001 0.000 0.281 307 V C -0.419 175.676 176.094 0.002 0.000 1.015 307 V CA -0.295 62.026 62.300 0.034 0.000 0.827 307 V CB 1.122 32.919 31.823 -0.043 0.000 1.018 307 V HN 0.981 nan 8.190 nan 0.000 0.432 308 T N 1.477 116.032 114.554 0.002 0.000 2.903 308 T HA 0.460 4.811 4.350 0.001 0.000 0.299 308 T C 0.216 174.907 174.700 -0.014 0.000 1.093 308 T CA -0.599 61.498 62.100 -0.005 0.000 1.002 308 T CB 1.728 70.601 68.868 0.007 0.000 1.127 308 T HN 0.604 nan 8.240 nan 0.000 0.488 309 S N 2.269 117.960 115.700 -0.016 0.000 3.628 309 S HA -0.140 4.330 4.470 0.001 0.000 0.373 309 S C 0.010 174.592 174.600 -0.030 0.000 0.968 309 S CA 0.331 58.521 58.200 -0.017 0.000 1.215 309 S CB -1.355 61.837 63.200 -0.013 0.000 0.912 309 S HN 0.684 nan 8.310 nan 0.000 0.495 310 N N 0.979 119.656 118.700 -0.038 0.000 2.381 310 N HA 0.445 5.186 4.740 0.001 0.000 0.294 310 N C -0.322 175.163 175.510 -0.041 0.000 1.216 310 N CA -0.812 52.206 53.050 -0.054 0.000 0.803 310 N CB 1.115 39.558 38.487 -0.073 0.000 1.372 310 N HN 0.170 nan 8.380 nan 0.000 0.500 311 R N 1.963 122.432 120.500 -0.051 0.000 2.337 311 R HA 0.396 4.737 4.340 0.001 0.000 0.319 311 R C -1.633 174.638 176.300 -0.048 0.000 0.954 311 R CA -0.516 55.567 56.100 -0.029 0.000 0.840 311 R CB -0.080 30.195 30.300 -0.042 0.000 1.164 311 R HN 0.408 nan 8.270 nan 0.000 0.472 312 L N 3.247 124.445 121.223 -0.041 0.000 2.341 312 L HA 0.488 4.828 4.340 0.001 0.000 0.278 312 L C -0.172 176.665 176.870 -0.054 0.000 1.005 312 L CA -0.220 54.573 54.840 -0.079 0.000 0.818 312 L CB 1.850 43.838 42.059 -0.118 0.000 1.259 312 L HN 0.523 nan 8.230 nan 0.000 0.418 313 Q N 1.696 121.444 119.800 -0.087 0.000 2.275 313 Q HA 0.702 5.042 4.340 0.001 0.000 0.266 313 Q C -0.979 174.883 176.000 -0.229 0.000 1.002 313 Q CA -0.427 55.312 55.803 -0.106 0.000 0.761 313 Q CB 2.044 30.739 28.738 -0.073 0.000 1.255 313 Q HN 0.844 nan 8.270 nan 0.000 0.446 314 G N 1.272 109.937 108.800 -0.225 0.000 2.658 314 G HA2 0.570 4.531 3.960 0.001 0.000 0.292 314 G HA3 0.570 4.531 3.960 0.001 0.000 0.292 314 G C -0.850 173.875 174.900 -0.291 0.000 1.320 314 G CA -0.398 44.500 45.100 -0.336 0.000 0.933 314 G HN 0.543 nan 8.290 nan 0.000 0.476 315 F N -0.558 119.100 119.950 -0.488 0.000 2.682 315 F HA 0.430 4.957 4.527 0.001 0.000 0.308 315 F C -0.348 175.105 175.800 -0.578 0.000 1.093 315 F CA -1.074 56.569 58.000 -0.595 0.000 1.244 315 F CB -0.166 38.356 39.000 -0.796 0.000 1.052 315 F HN 0.245 nan 8.300 nan 0.000 0.573 316 Y N -1.516 118.870 120.300 0.142 0.000 2.638 316 Y HA 0.601 5.152 4.550 0.001 0.000 0.339 316 Y C -2.519 173.429 175.900 0.080 0.000 1.084 316 Y CA -3.996 54.157 58.100 0.087 0.000 1.068 316 Y CB -0.218 38.265 38.460 0.038 0.000 1.294 316 Y HN -0.316 nan 8.280 nan 0.000 0.480 317 P HA 0.240 nan 4.420 nan 0.000 0.267 317 P C 0.242 177.656 177.300 0.190 0.000 1.200 317 P CA 1.352 64.588 63.100 0.227 0.000 0.772 317 P CB 0.378 32.179 31.700 0.169 0.000 0.855 321 R N 4.881 125.369 120.500 -0.021 0.000 2.480 321 R HA 0.665 5.005 4.340 0.001 0.000 0.306 321 R C -1.471 174.848 176.300 0.031 0.000 0.958 321 R CA -0.919 55.219 56.100 0.063 0.000 0.861 321 R CB 2.305 32.670 30.300 0.108 0.000 1.171 321 R HN 0.260 nan 8.270 nan 0.000 0.445 322 L N 4.899 126.181 121.223 0.099 0.000 2.356 322 L HA 0.415 4.755 4.340 0.001 0.000 0.264 322 L C -0.808 176.160 176.870 0.163 0.000 1.029 322 L CA 0.026 54.939 54.840 0.122 0.000 0.897 322 L CB 1.056 43.166 42.059 0.086 0.000 1.256 322 L HN 0.460 nan 8.230 nan 0.000 0.444 323 L N 2.358 123.680 121.223 0.164 0.000 2.331 323 L HA 0.513 4.853 4.340 0.001 0.000 0.268 323 L C 0.545 177.484 176.870 0.115 0.000 1.015 323 L CA -1.072 53.856 54.840 0.147 0.000 0.807 323 L CB 0.777 42.909 42.059 0.123 0.000 1.293 323 L HN 0.564 nan 8.230 nan 0.000 0.451 324 N N 0.715 119.472 118.700 0.096 0.000 2.705 324 N HA -0.180 4.561 4.740 0.001 0.000 0.255 324 N C 0.418 175.966 175.510 0.063 0.000 1.008 324 N CA 0.391 53.483 53.050 0.071 0.000 0.742 324 N CB -1.078 37.446 38.487 0.062 0.000 0.906 324 N HN 1.090 nan 8.380 nan 0.000 0.541 325 G N -0.624 108.213 108.800 0.061 0.000 2.370 325 G HA2 -0.324 3.637 3.960 0.001 0.000 0.295 325 G HA3 -0.324 3.637 3.960 0.001 0.000 0.295 325 G C 0.261 175.195 174.900 0.058 0.000 1.045 325 G CA -0.002 45.128 45.100 0.050 0.000 1.199 325 G HN 0.625 nan 8.290 nan 0.000 0.513 326 C N 0.883 120.230 119.300 0.078 0.000 2.527 326 C HA 0.614 5.075 4.460 0.001 0.000 0.396 326 C C 0.886 175.920 174.990 0.073 0.000 1.289 326 C CA -0.286 58.789 59.018 0.094 0.000 2.047 326 C CB 0.568 28.404 27.740 0.160 0.000 2.568 326 C HN 0.631 nan 8.230 nan 0.000 0.573 327 K N 1.521 121.957 120.400 0.060 0.000 2.318 327 K HA 0.379 4.700 4.320 0.001 0.000 0.249 327 K C -0.009 176.620 176.600 0.048 0.000 0.942 327 K CA -0.464 55.851 56.287 0.046 0.000 0.808 327 K CB 1.208 33.727 32.500 0.032 0.000 1.189 327 K HN 0.697 nan 8.250 nan 0.000 0.428 328 E N 0.770 120.996 120.200 0.043 0.000 2.360 328 E HA -0.241 4.109 4.350 0.001 0.000 0.238 328 E C -0.767 175.865 176.600 0.054 0.000 1.186 328 E CA 0.378 56.803 56.400 0.041 0.000 0.719 328 E CB -1.057 28.661 29.700 0.029 0.000 1.236 328 E HN 0.459 nan 8.360 nan 0.000 0.386 329 N N 0.579 119.323 118.700 0.074 0.000 2.466 329 N HA 0.467 5.207 4.740 0.001 0.000 0.294 329 N C -0.661 174.897 175.510 0.080 0.000 1.129 329 N CA -0.672 52.439 53.050 0.102 0.000 0.931 329 N CB 1.525 40.117 38.487 0.176 0.000 1.193 329 N HN 0.021 nan 8.380 nan 0.000 0.500 330 L N 2.112 123.384 121.223 0.081 0.000 2.298 330 L HA 0.552 4.893 4.340 0.001 0.000 0.284 330 L C -1.082 175.818 176.870 0.051 0.000 1.013 330 L CA -0.276 54.598 54.840 0.057 0.000 0.824 330 L CB 0.484 42.571 42.059 0.046 0.000 1.221 330 L HN 0.443 nan 8.230 nan 0.000 0.418 331 I N 5.098 125.687 120.570 0.032 0.000 2.437 331 I HA 0.469 4.640 4.170 0.001 0.000 0.279 331 I C -0.144 175.980 176.117 0.012 0.000 1.028 331 I CA -0.122 61.183 61.300 0.008 0.000 1.142 331 I CB 1.568 39.565 38.000 -0.006 0.000 1.266 331 I HN 0.629 nan 8.210 nan 0.000 0.461 332 T N 3.813 118.369 114.554 0.004 0.000 2.853 332 T HA 0.614 4.964 4.350 0.001 0.000 0.311 332 T C -0.047 174.650 174.700 -0.004 0.000 1.307 332 T CA 0.333 62.438 62.100 0.008 0.000 1.019 332 T CB 1.595 70.474 68.868 0.018 0.000 1.264 332 T HN 0.845 nan 8.240 nan 0.000 0.497 333 A N 2.462 125.282 122.820 -0.000 0.000 2.822 333 A HA -0.130 4.191 4.320 0.001 0.000 0.287 333 A C 0.039 177.613 177.584 -0.017 0.000 1.479 333 A CA 0.896 52.932 52.037 -0.002 0.000 0.779 333 A CB -2.384 16.618 19.000 0.004 0.000 1.022 333 A HN 0.707 nan 8.150 nan 0.000 0.532 334 N N -0.701 117.969 118.700 -0.050 0.000 2.384 334 N HA 0.499 5.240 4.740 0.001 0.000 0.301 334 N C -0.586 174.859 175.510 -0.110 0.000 1.133 334 N CA -0.406 52.599 53.050 -0.075 0.000 0.853 334 N CB 1.177 39.592 38.487 -0.120 0.000 1.241 334 N HN 0.557 nan 8.380 nan 0.000 0.502 335 H N 0.770 119.754 119.070 -0.145 0.000 2.556 335 H HA 0.484 5.040 4.556 0.001 0.000 0.310 335 H C -0.693 174.506 175.328 -0.216 0.000 1.057 335 H CA -0.409 55.546 56.048 -0.156 0.000 1.264 335 H CB 0.298 30.005 29.762 -0.091 0.000 1.404 335 H HN 0.396 nan 8.280 nan 0.000 0.462 336 I N 5.844 126.117 120.570 -0.495 0.000 2.354 336 I HA 0.307 4.478 4.170 0.001 0.000 0.286 336 I C -0.325 175.633 176.117 -0.265 0.000 1.007 336 I CA -0.541 60.511 61.300 -0.414 0.000 1.167 336 I CB 1.264 38.784 38.000 -0.800 0.000 1.320 336 I HN 0.504 nan 8.210 nan 0.000 0.458 337 R N 5.671 126.143 120.500 -0.046 0.000 2.439 337 R HA 0.626 4.966 4.340 0.001 0.000 0.310 337 R C -0.844 175.464 176.300 0.013 0.000 0.955 337 R CA -0.749 55.368 56.100 0.030 0.000 0.853 337 R CB 1.259 31.633 30.300 0.124 0.000 1.171 337 R HN 0.549 nan 8.270 nan 0.000 0.449 338 R N 2.597 123.114 120.500 0.028 0.000 2.445 338 R HA 0.541 4.881 4.340 0.001 0.000 0.308 338 R C -1.308 174.899 176.300 -0.155 0.000 0.961 338 R CA -0.131 55.954 56.100 -0.024 0.000 0.862 338 R CB 1.914 32.261 30.300 0.078 0.000 1.144 338 R HN 0.735 nan 8.270 nan 0.000 0.447 339 T N 1.817 116.329 114.554 -0.069 0.000 2.645 339 T HA 0.445 4.796 4.350 0.001 0.000 0.300 339 T C -1.474 173.209 174.700 -0.029 0.000 1.210 339 T CA -0.878 61.172 62.100 -0.083 0.000 1.034 339 T CB 0.610 69.494 68.868 0.026 0.000 1.537 339 T HN 0.755 nan 8.240 nan 0.000 0.492 340 N N 1.542 120.167 118.700 -0.124 0.000 2.487 340 N HA 0.331 5.072 4.740 0.001 0.000 0.292 340 N C -0.547 174.551 175.510 -0.687 0.000 1.108 340 N CA -0.525 52.374 53.050 -0.250 0.000 0.956 340 N CB 1.290 39.675 38.487 -0.171 0.000 1.176 340 N HN 0.675 nan 8.380 nan 0.000 0.484 341 E N 0.129 119.762 120.200 -0.945 0.000 2.529 341 E HA 0.157 4.508 4.350 0.001 0.000 0.259 341 E C 0.764 176.949 176.600 -0.692 0.000 0.966 341 E CA 0.345 55.881 56.400 -1.439 0.000 0.937 341 E CB 0.085 29.463 29.700 -0.536 0.000 0.923 341 E HN 0.753 nan 8.360 nan 0.000 0.468 342 G N 3.754 112.217 108.800 -0.561 0.000 2.944 342 G HA2 -0.083 3.878 3.960 0.001 0.000 0.220 342 G HA3 -0.083 3.878 3.960 0.001 0.000 0.220 342 G C -0.649 174.314 174.900 0.105 0.000 1.100 342 G CA -0.172 44.849 45.100 -0.132 0.000 0.780 342 G HN 0.535 nan 8.290 nan 0.000 0.539 343 Y N 2.108 122.430 120.300 0.036 0.000 2.454 343 Y HA 0.424 4.974 4.550 0.001 0.000 0.345 343 Y C -1.533 174.452 175.900 0.141 0.000 0.970 343 Y CA -3.311 54.877 58.100 0.146 0.000 1.204 343 Y CB 1.954 40.587 38.460 0.289 0.000 1.122 343 Y HN -0.058 nan 8.280 nan 0.000 0.514 344 P HA -0.261 nan 4.420 nan 0.000 0.222 344 P C -1.307 175.831 177.300 -0.270 0.000 1.159 344 P CA 2.632 65.632 63.100 -0.167 0.000 0.920 344 P CB -0.594 30.997 31.700 -0.182 0.000 0.793 345 P HA -0.163 nan 4.420 nan 0.000 0.217 345 P C 0.809 177.658 177.300 -0.751 0.000 1.148 345 P CA 1.452 64.143 63.100 -0.682 0.000 0.834 345 P CB -0.477 30.655 31.700 -0.947 0.000 0.783 346 F N -2.731 117.223 119.950 0.007 0.000 2.678 346 F HA 0.246 4.774 4.527 0.001 0.000 0.305 346 F C 1.175 177.016 175.800 0.069 0.000 1.090 346 F CA -0.661 57.402 58.000 0.104 0.000 1.272 346 F CB -0.478 38.663 39.000 0.234 0.000 1.060 346 F HN -0.225 nan 8.300 nan 0.000 0.576 347 I N 0.588 121.214 120.570 0.094 0.000 2.752 347 I HA 0.193 4.364 4.170 0.001 0.000 0.287 347 I C 1.500 177.648 176.117 0.052 0.000 1.188 347 I CA 1.032 62.363 61.300 0.053 0.000 1.427 347 I CB 0.209 38.205 38.000 -0.007 0.000 1.365 347 I HN 0.461 nan 8.210 nan 0.000 0.585 348 G N 4.307 113.144 108.800 0.062 0.000 2.175 348 G HA2 -0.277 3.683 3.960 0.001 0.000 0.244 348 G HA3 -0.277 3.683 3.960 0.001 0.000 0.244 348 G C 0.300 175.247 174.900 0.079 0.000 0.982 348 G CA -0.112 45.021 45.100 0.054 0.000 0.641 348 G HN 0.593 nan 8.290 nan 0.000 0.527 349 R N 0.522 121.107 120.500 0.142 0.000 2.486 349 R HA 0.668 5.009 4.340 0.001 0.000 0.286 349 R C 0.806 177.176 176.300 0.116 0.000 0.999 349 R CA 0.744 56.923 56.100 0.132 0.000 0.993 349 R CB 1.111 31.543 30.300 0.221 0.000 1.084 349 R HN 0.547 nan 8.270 nan 0.000 0.487 350 G N 0.617 109.367 108.800 -0.083 0.000 2.975 350 G HA2 0.147 4.108 3.960 0.001 0.000 0.291 350 G HA3 0.147 4.108 3.960 0.001 0.000 0.291 350 G C -0.868 173.681 174.900 -0.585 0.000 1.334 350 G CA -0.553 44.356 45.100 -0.318 0.000 0.843 350 G HN 0.697 nan 8.290 nan 0.000 0.548 351 N N -1.416 116.923 118.700 -0.602 0.000 2.200 351 N HA 0.264 5.004 4.740 0.001 0.000 0.224 351 N C 1.301 176.644 175.510 -0.279 0.000 1.179 351 N CA 0.757 53.524 53.050 -0.473 0.000 0.877 351 N CB 0.764 38.947 38.487 -0.506 0.000 1.072 351 N HN 1.731 nan 8.380 nan 0.000 0.519 352 G N 0.293 108.968 108.800 -0.208 0.000 2.162 352 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 352 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 352 G C -0.401 174.415 174.900 -0.141 0.000 0.976 352 G CA 0.614 45.627 45.100 -0.144 0.000 0.655 352 G HN 0.356 nan 8.290 nan 0.000 0.533 353 L N 0.841 121.963 121.223 -0.167 0.000 2.334 353 L HA 0.641 4.981 4.340 0.001 0.000 0.272 353 L C 0.349 177.201 176.870 -0.029 0.000 1.020 353 L CA -0.889 53.852 54.840 -0.167 0.000 0.812 353 L CB 1.379 43.208 42.059 -0.383 0.000 1.264 353 L HN 0.356 nan 8.230 nan 0.000 0.439 354 D N -1.630 118.794 120.400 0.039 0.000 2.440 354 D HA 0.107 4.747 4.640 0.001 0.000 0.258 354 D C 0.031 176.423 176.300 0.153 0.000 1.092 354 D CA -0.630 53.424 54.000 0.091 0.000 1.016 354 D CB 0.806 41.655 40.800 0.082 0.000 1.141 354 D HN 0.368 nan 8.370 nan 0.000 0.552 355 D N -0.451 120.041 120.400 0.154 0.000 2.378 355 D HA -0.010 4.631 4.640 0.001 0.000 0.227 355 D C 1.162 177.550 176.300 0.148 0.000 1.012 355 D CA 0.455 54.562 54.000 0.177 0.000 0.905 355 D CB 0.245 41.151 40.800 0.176 0.000 0.895 355 D HN 0.351 nan 8.370 nan 0.000 0.532 356 L N -0.508 120.807 121.223 0.154 0.000 2.607 356 L HA 0.015 4.355 4.340 0.001 0.000 0.228 356 L C 1.864 178.842 176.870 0.180 0.000 1.123 356 L CA -0.105 54.813 54.840 0.130 0.000 0.890 356 L CB -0.012 42.111 42.059 0.107 0.000 1.103 356 L HN -0.022 nan 8.230 nan 0.000 0.468 357 Y N 1.493 121.858 120.300 0.108 0.000 2.314 357 Y HA 0.161 4.712 4.550 0.001 0.000 0.293 357 Y C 1.343 177.362 175.900 0.198 0.000 1.129 357 Y CA 0.774 58.971 58.100 0.162 0.000 1.201 357 Y CB 0.153 38.674 38.460 0.101 0.000 0.999 357 Y HN 0.116 nan 8.280 nan 0.000 0.541 358 G N -0.947 108.004 108.800 0.252 0.000 2.788 358 G HA2 -0.184 3.777 3.960 0.001 0.000 0.686 358 G HA3 -0.184 3.777 3.960 0.001 0.000 0.686 358 G C 0.251 175.302 174.900 0.251 0.000 1.147 358 G CA -0.467 44.729 45.100 0.160 0.000 0.755 358 G HN 0.208 nan 8.290 nan 0.000 0.634 359 V N 0.658 120.712 119.914 0.234 0.000 2.407 359 V HA -0.018 4.102 4.120 0.001 0.000 0.248 359 V C 1.603 177.850 176.094 0.254 0.000 1.055 359 V CA 1.972 64.442 62.300 0.283 0.000 1.049 359 V CB -0.299 31.744 31.823 0.367 0.000 0.662 359 V HN 0.882 nan 8.190 nan 0.000 0.455 360 V N 0.773 120.829 119.914 0.238 0.000 2.407 360 V HA 0.395 4.515 4.120 0.001 0.000 0.291 360 V C -0.614 175.542 176.094 0.103 0.000 1.018 360 V CA -0.660 61.748 62.300 0.179 0.000 0.842 360 V CB 1.476 33.438 31.823 0.231 0.000 0.996 360 V HN 0.442 nan 8.190 nan 0.000 0.426 361 H N 6.432 125.480 119.070 -0.037 0.000 2.551 361 H HA 0.521 5.078 4.556 0.001 0.000 0.321 361 H C -1.436 173.827 175.328 -0.109 0.000 1.028 361 H CA -0.676 55.268 56.048 -0.173 0.000 1.215 361 H CB 1.422 30.927 29.762 -0.428 0.000 1.414 361 H HN 0.405 nan 8.280 nan 0.000 0.480 362 I N 4.103 124.502 120.570 -0.284 0.000 2.406 362 I HA 0.363 4.533 4.170 0.001 0.000 0.290 362 I C -0.001 175.998 176.117 -0.196 0.000 0.999 362 I CA -0.761 60.455 61.300 -0.140 0.000 1.124 362 I CB 1.120 39.069 38.000 -0.085 0.000 1.289 362 I HN 0.633 nan 8.210 nan 0.000 0.441 363 A N 4.644 127.435 122.820 -0.047 0.000 2.545 363 A HA 0.882 5.202 4.320 0.001 0.000 0.300 363 A C 0.071 177.668 177.584 0.022 0.000 1.252 363 A CA -0.108 51.917 52.037 -0.020 0.000 0.753 363 A CB 1.004 20.042 19.000 0.063 0.000 1.144 363 A HN 1.052 nan 8.150 nan 0.000 0.457 364 G N 0.983 109.787 108.800 0.006 0.000 2.317 364 G HA2 0.481 4.441 3.960 0.001 0.000 0.293 364 G HA3 0.481 4.441 3.960 0.001 0.000 0.293 364 G C -2.194 172.714 174.900 0.015 0.000 1.287 364 G CA -0.692 44.422 45.100 0.024 0.000 0.850 364 G HN 0.452 nan 8.290 nan 0.000 0.515 365 D N 0.152 120.566 120.400 0.024 0.000 2.350 365 D HA 0.405 5.046 4.640 0.001 0.000 0.238 365 D C 0.246 176.562 176.300 0.027 0.000 0.989 365 D CA -0.687 53.326 54.000 0.022 0.000 0.921 365 D CB 1.379 42.194 40.800 0.025 0.000 1.297 365 D HN 0.454 nan 8.370 nan 0.000 0.490 366 N N 0.902 119.618 118.700 0.026 0.000 2.696 366 N HA -0.165 4.576 4.740 0.001 0.000 0.249 366 N C -0.673 174.855 175.510 0.029 0.000 1.090 366 N CA 0.645 53.711 53.050 0.027 0.000 0.716 366 N CB -0.810 37.693 38.487 0.026 0.000 1.020 366 N HN 0.438 nan 8.380 nan 0.000 0.548 367 N N 0.730 119.447 118.700 0.029 0.000 2.524 367 N HA 0.322 5.063 4.740 0.001 0.000 0.283 367 N C -0.011 175.516 175.510 0.028 0.000 1.142 367 N CA -0.343 52.728 53.050 0.035 0.000 0.984 367 N CB 1.655 40.165 38.487 0.038 0.000 1.155 367 N HN 0.145 nan 8.380 nan 0.000 0.467 368 L N 2.794 124.036 121.223 0.032 0.000 2.318 368 L HA 0.481 4.822 4.340 0.001 0.000 0.277 368 L C -1.291 175.598 176.870 0.032 0.000 1.008 368 L CA -0.456 54.401 54.840 0.028 0.000 0.846 368 L CB 0.509 42.585 42.059 0.027 0.000 1.220 368 L HN 0.352 nan 8.230 nan 0.000 0.423 369 I N 5.127 125.717 120.570 0.033 0.000 2.337 369 I HA 0.564 4.734 4.170 0.001 0.000 0.285 369 I C 0.036 176.187 176.117 0.057 0.000 1.041 369 I CA 0.343 61.673 61.300 0.049 0.000 1.199 369 I CB 0.970 39.005 38.000 0.058 0.000 1.370 369 I HN 0.708 nan 8.210 nan 0.000 0.470 370 S N 2.210 117.944 115.700 0.057 0.000 2.638 370 S HA 0.583 5.053 4.470 0.001 0.000 0.274 370 S C -0.234 174.401 174.600 0.058 0.000 1.157 370 S CA -0.903 57.332 58.200 0.057 0.000 0.826 370 S CB 1.470 64.692 63.200 0.038 0.000 1.139 370 S HN 0.583 nan 8.310 nan 0.000 0.474 371 D N 0.448 120.883 120.400 0.058 0.000 2.701 371 D HA -0.161 4.480 4.640 0.001 0.000 0.235 371 D C -0.792 175.537 176.300 0.048 0.000 1.155 371 D CA 0.968 54.998 54.000 0.050 0.000 0.649 371 D CB -1.597 39.222 40.800 0.032 0.000 1.050 371 D HN 0.544 nan 8.370 nan 0.000 0.425 372 N N 0.228 118.977 118.700 0.082 0.000 2.370 372 N HA 0.511 5.251 4.740 0.001 0.000 0.303 372 N C -0.574 174.968 175.510 0.054 0.000 1.103 372 N CA -0.613 52.451 53.050 0.023 0.000 0.848 372 N CB 1.659 40.160 38.487 0.024 0.000 1.235 372 N HN 0.209 nan 8.380 nan 0.000 0.496 373 L N 2.061 123.204 121.223 -0.134 0.000 2.298 373 L HA 0.495 4.835 4.340 0.001 0.000 0.284 373 L C -1.310 175.333 176.870 -0.379 0.000 1.013 373 L CA -0.671 54.087 54.840 -0.137 0.000 0.824 373 L CB 0.366 42.327 42.059 -0.165 0.000 1.221 373 L HN 0.354 nan 8.230 nan 0.000 0.418 374 F N 4.147 123.932 119.950 -0.276 0.000 2.385 374 F HA 0.532 5.059 4.527 0.001 0.000 0.360 374 F C 0.575 176.244 175.800 -0.217 0.000 1.122 374 F CA -0.489 57.369 58.000 -0.237 0.000 1.090 374 F CB 1.682 40.570 39.000 -0.187 0.000 1.150 374 F HN 0.464 nan 8.300 nan 0.000 0.472 375 A N 4.620 127.427 122.820 -0.022 0.000 2.293 375 A HA 0.506 4.827 4.320 0.001 0.000 0.312 375 A C -1.823 175.843 177.584 0.137 0.000 1.309 375 A CA -0.522 51.542 52.037 0.044 0.000 0.839 375 A CB -0.049 18.999 19.000 0.081 0.000 1.155 375 A HN 0.655 nan 8.150 nan 0.000 0.501 376 Y N 2.763 123.075 120.300 0.019 0.000 2.328 376 Y HA 0.467 5.017 4.550 0.001 0.000 0.333 376 Y C -0.258 175.663 175.900 0.035 0.000 0.958 376 Y CA -0.671 57.453 58.100 0.040 0.000 1.167 376 Y CB 1.223 39.709 38.460 0.043 0.000 1.151 376 Y HN 0.685 nan 8.280 nan 0.000 0.470 377 N N 6.055 124.640 118.700 -0.192 0.000 2.617 377 N HA 0.535 5.275 4.740 0.001 0.000 0.263 377 N C -2.232 173.127 175.510 -0.253 0.000 1.074 377 N CA -0.291 52.694 53.050 -0.109 0.000 0.841 377 N CB 0.955 39.421 38.487 -0.035 0.000 1.221 377 N HN 0.382 nan 8.380 nan 0.000 0.529 378 V N 3.872 123.654 119.914 -0.220 0.000 2.668 378 V HA 0.409 4.529 4.120 0.001 0.000 0.304 378 V C -2.318 173.782 176.094 0.010 0.000 1.071 378 V CA -1.633 60.565 62.300 -0.170 0.000 0.894 378 V CB 2.018 33.648 31.823 -0.321 0.000 1.008 378 V HN 0.567 nan 8.190 nan 0.000 0.425 379 P HA 0.084 nan 4.420 nan 0.000 0.261 379 P C -2.010 175.323 177.300 0.055 0.000 1.183 379 P CA -0.559 62.557 63.100 0.026 0.000 0.761 379 P CB 0.323 32.027 31.700 0.006 0.000 0.785 380 P HA -0.266 nan 4.420 nan 0.000 0.218 380 P C 1.091 178.426 177.300 0.057 0.000 1.152 380 P CA 2.017 65.158 63.100 0.068 0.000 0.857 380 P CB -0.248 31.484 31.700 0.053 0.000 0.787 381 A N -1.314 121.532 122.820 0.042 0.000 2.216 381 A HA -0.108 4.213 4.320 0.001 0.000 0.214 381 A C 1.750 179.357 177.584 0.037 0.000 1.160 381 A CA 1.235 53.292 52.037 0.034 0.000 0.725 381 A CB -0.836 18.178 19.000 0.023 0.000 0.784 381 A HN 0.168 nan 8.150 nan 0.000 0.472 382 N N -0.559 118.167 118.700 0.045 0.000 2.205 382 N HA 0.212 4.953 4.740 0.001 0.000 0.201 382 N C -0.142 175.413 175.510 0.075 0.000 1.128 382 N CA 0.070 53.148 53.050 0.048 0.000 0.867 382 N CB 0.452 38.956 38.487 0.030 0.000 0.996 382 N HN 0.429 nan 8.380 nan 0.000 0.503 383 I N 1.422 122.045 120.570 0.088 0.000 2.416 383 I HA 0.202 4.373 4.170 0.001 0.000 0.288 383 I C 0.260 176.431 176.117 0.089 0.000 1.051 383 I CA -0.478 60.891 61.300 0.115 0.000 1.375 383 I CB 0.985 39.064 38.000 0.133 0.000 1.407 383 I HN -0.082 nan 8.210 nan 0.000 0.516 384 A N 8.830 131.707 122.820 0.096 0.000 2.271 384 A HA 0.718 5.039 4.320 0.001 0.000 0.317 384 A C -2.617 175.013 177.584 0.077 0.000 1.245 384 A CA -1.586 50.496 52.037 0.076 0.000 0.857 384 A CB 0.653 19.695 19.000 0.071 0.000 1.175 384 A HN 0.357 nan 8.150 nan 0.000 0.512 385 P HA 0.389 nan 4.420 nan 0.000 0.281 385 P C -0.090 177.236 177.300 0.045 0.000 1.249 385 P CA -0.145 62.983 63.100 0.047 0.000 0.810 385 P CB 1.201 32.925 31.700 0.041 0.000 1.008 386 A N 2.173 125.016 122.820 0.037 0.000 2.567 386 A HA 0.373 4.694 4.320 0.001 0.000 0.240 386 A C 1.510 179.113 177.584 0.032 0.000 1.053 386 A CA 1.127 53.185 52.037 0.034 0.000 0.755 386 A CB -1.587 17.430 19.000 0.027 0.000 0.978 386 A HN 0.864 nan 8.150 nan 0.000 0.507 387 G N 0.778 109.597 108.800 0.033 0.000 2.225 387 G HA2 0.119 4.080 3.960 0.001 0.000 0.254 387 G HA3 0.119 4.080 3.960 0.001 0.000 0.254 387 G C 0.622 175.540 174.900 0.030 0.000 0.988 387 G CA 0.617 45.734 45.100 0.028 0.000 0.625 387 G HN 2.250 nan 8.290 nan 0.000 0.527 388 A N 0.063 122.905 122.820 0.036 0.000 2.340 388 A HA 0.699 5.020 4.320 0.001 0.000 0.268 388 A C 0.426 178.027 177.584 0.028 0.000 1.100 388 A CA 0.048 52.105 52.037 0.034 0.000 0.803 388 A CB 0.436 19.462 19.000 0.043 0.000 1.043 388 A HN 0.441 nan 8.150 nan 0.000 0.488 389 Q N 1.384 121.191 119.800 0.011 0.000 2.294 389 Q HA 0.269 4.609 4.340 0.001 0.000 0.257 389 Q C -2.311 173.666 176.000 -0.039 0.000 0.955 389 Q CA -1.597 54.196 55.803 -0.016 0.000 0.936 389 Q CB 0.772 29.494 28.738 -0.026 0.000 1.188 389 Q HN 0.440 nan 8.270 nan 0.000 0.420 390 P HA -0.022 nan 4.420 nan 0.000 0.266 390 P C -0.940 176.248 177.300 -0.187 0.000 1.195 390 P CA 0.304 63.300 63.100 -0.173 0.000 0.768 390 P CB 0.664 32.061 31.700 -0.504 0.000 0.838 391 T N 3.871 118.361 114.554 -0.107 0.000 2.758 391 T HA 0.129 4.480 4.350 0.001 0.000 0.285 391 T C 1.044 175.679 174.700 -0.108 0.000 0.981 391 T CA -0.399 61.646 62.100 -0.092 0.000 0.965 391 T CB 0.945 69.797 68.868 -0.027 0.000 0.927 391 T HN 0.295 nan 8.240 nan 0.000 0.448 392 Q N 2.273 121.957 119.800 -0.193 0.000 2.008 392 Q HA 0.213 4.554 4.340 0.001 0.000 0.196 392 Q C 0.520 176.395 176.000 -0.207 0.000 0.973 392 Q CA 1.181 56.828 55.803 -0.261 0.000 0.826 392 Q CB 0.176 28.542 28.738 -0.620 0.000 0.894 392 Q HN 0.645 nan 8.270 nan 0.000 0.439 393 I N 1.570 121.984 120.570 -0.260 0.000 2.382 393 I HA 0.214 4.385 4.170 0.001 0.000 0.286 393 I C -1.008 175.034 176.117 -0.124 0.000 1.002 393 I CA -0.881 60.323 61.300 -0.160 0.000 1.135 393 I CB 1.793 39.672 38.000 -0.201 0.000 1.288 393 I HN -0.009 nan 8.210 nan 0.000 0.448 394 L N 8.435 129.587 121.223 -0.118 0.000 2.305 394 L HA 0.528 4.869 4.340 0.001 0.000 0.284 394 L C -0.697 176.026 176.870 -0.245 0.000 1.013 394 L CA -0.223 54.517 54.840 -0.167 0.000 0.819 394 L CB 1.066 43.016 42.059 -0.181 0.000 1.227 394 L HN 0.354 nan 8.230 nan 0.000 0.417 395 I N 6.377 126.835 120.570 -0.187 0.000 2.268 395 I HA 0.235 4.405 4.170 0.001 0.000 0.290 395 I C 1.457 177.458 176.117 -0.193 0.000 1.125 395 I CA -0.043 61.151 61.300 -0.178 0.000 1.236 395 I CB 0.104 38.040 38.000 -0.107 0.000 1.469 395 I HN 0.849 nan 8.210 nan 0.000 0.512 396 A N 4.715 127.338 122.820 -0.328 0.000 1.940 396 A HA 0.211 4.531 4.320 0.001 0.000 0.219 396 A C 1.195 178.704 177.584 -0.126 0.000 1.176 396 A CA 1.487 53.357 52.037 -0.278 0.000 0.631 396 A CB -0.187 18.532 19.000 -0.468 0.000 0.814 396 A HN 0.733 nan 8.150 nan 0.000 0.446 397 G N -4.492 104.243 108.800 -0.108 0.000 2.466 397 G HA2 0.625 4.586 3.960 0.001 0.000 0.291 397 G HA3 0.625 4.586 3.960 0.001 0.000 0.291 397 G C -0.305 174.566 174.900 -0.049 0.000 1.460 397 G CA 0.092 45.158 45.100 -0.058 0.000 0.791 397 G HN 1.880 nan 8.290 nan 0.000 0.505 398 G N -0.677 108.103 108.800 -0.034 0.000 2.406 398 G HA2 0.465 4.426 3.960 0.001 0.000 0.680 398 G HA3 0.465 4.426 3.960 0.001 0.000 0.680 398 G C -1.507 173.379 174.900 -0.023 0.000 1.338 398 G CA 0.088 45.175 45.100 -0.021 0.000 0.941 398 G HN 1.112 nan 8.290 nan 0.000 0.633 399 D N -0.390 120.010 120.400 -0.001 0.000 2.248 399 D HA 0.754 5.395 4.640 0.001 0.000 0.246 399 D C 0.820 177.144 176.300 0.041 0.000 1.027 399 D CA 1.048 55.060 54.000 0.020 0.000 0.853 399 D CB 1.444 42.274 40.800 0.050 0.000 1.243 399 D HN 2.141 nan 8.370 nan 0.000 0.462 400 A N 2.567 125.428 122.820 0.069 0.000 2.899 400 A HA -0.235 4.086 4.320 0.001 0.000 0.257 400 A C 0.088 177.692 177.584 0.035 0.000 1.335 400 A CA 0.419 52.495 52.037 0.065 0.000 0.924 400 A CB -2.448 16.587 19.000 0.059 0.000 1.105 400 A HN 0.648 nan 8.150 nan 0.000 0.765 401 N N -0.489 118.222 118.700 0.018 0.000 2.479 401 N HA 0.385 5.126 4.740 0.001 0.000 0.257 401 N C -0.254 175.260 175.510 0.007 0.000 1.232 401 N CA 0.629 53.684 53.050 0.008 0.000 0.920 401 N CB 1.199 39.681 38.487 -0.009 0.000 1.105 401 N HN 0.310 nan 8.380 nan 0.000 0.444 402 V N 2.074 121.993 119.914 0.008 0.000 2.487 402 V HA 0.307 4.427 4.120 0.001 0.000 0.298 402 V C -0.135 175.962 176.094 0.006 0.000 1.028 402 V CA -0.757 61.547 62.300 0.007 0.000 0.860 402 V CB 1.971 33.801 31.823 0.012 0.000 0.991 402 V HN 0.292 nan 8.190 nan 0.000 0.427 403 V N 4.279 124.193 119.914 -0.001 0.000 2.349 403 V HA 0.859 4.979 4.120 0.001 0.000 0.284 403 V C 0.175 176.272 176.094 0.005 0.000 1.014 403 V CA -0.291 62.009 62.300 -0.000 0.000 0.826 403 V CB 1.346 33.156 31.823 -0.022 0.000 1.009 403 V HN 1.001 nan 8.190 nan 0.000 0.431 404 A N 3.902 126.733 122.820 0.018 0.000 2.435 404 A HA 0.842 5.162 4.320 0.001 0.000 0.304 404 A C -0.375 177.231 177.584 0.035 0.000 1.064 404 A CA -0.993 51.056 52.037 0.021 0.000 0.727 404 A CB 1.383 20.393 19.000 0.017 0.000 1.284 404 A HN 1.465 nan 8.150 nan 0.000 0.415 405 L N 1.325 122.569 121.223 0.035 0.000 3.887 405 L HA -0.174 4.167 4.340 0.001 0.000 0.546 405 L C -1.156 175.761 176.870 0.079 0.000 1.196 405 L CA 0.597 55.466 54.840 0.048 0.000 0.777 405 L CB -1.508 40.572 42.059 0.035 0.000 1.346 405 L HN 0.704 nan 8.230 nan 0.000 0.810 406 N N 2.151 120.906 118.700 0.091 0.000 2.524 406 N HA 0.221 4.962 4.740 0.001 0.000 0.261 406 N C -0.662 174.933 175.510 0.142 0.000 0.998 406 N CA -0.497 52.636 53.050 0.138 0.000 0.915 406 N CB 0.997 39.531 38.487 0.079 0.000 1.187 406 N HN 0.543 nan 8.380 nan 0.000 0.507 407 H N 2.274 121.383 119.070 0.066 0.000 2.690 407 H HA 0.285 4.841 4.556 0.001 0.000 0.314 407 H C -0.796 174.527 175.328 -0.009 0.000 1.069 407 H CA -0.364 55.696 56.048 0.020 0.000 1.436 407 H CB 0.964 30.743 29.762 0.028 0.000 1.462 407 H HN 0.089 nan 8.280 nan 0.000 0.511 408 V N 6.420 126.094 119.914 -0.401 0.000 2.513 408 V HA 0.228 4.349 4.120 0.001 0.000 0.299 408 V C -0.330 175.441 176.094 -0.537 0.000 1.035 408 V CA -0.719 61.251 62.300 -0.550 0.000 0.889 408 V CB 1.717 32.881 31.823 -1.098 0.000 0.988 408 V HN 0.524 nan 8.190 nan 0.000 0.440 409 V N 3.659 123.370 119.914 -0.339 0.000 2.482 409 V HA 0.687 4.808 4.120 0.001 0.000 0.295 409 V C -0.253 175.821 176.094 -0.034 0.000 1.026 409 V CA -0.166 62.021 62.300 -0.189 0.000 0.856 409 V CB 1.709 33.437 31.823 -0.159 0.000 1.001 409 V HN 0.903 nan 8.190 nan 0.000 0.424 410 S N 2.237 117.945 115.700 0.013 0.000 2.546 410 S HA 0.394 4.864 4.470 0.001 0.000 0.274 410 S C 0.450 175.114 174.600 0.106 0.000 1.121 410 S CA -0.336 57.929 58.200 0.108 0.000 0.887 410 S CB 2.013 65.248 63.200 0.059 0.000 1.094 410 S HN 0.882 nan 8.310 nan 0.000 0.474 411 D N 1.938 122.429 120.400 0.151 0.000 2.347 411 D HA 0.001 4.641 4.640 0.001 0.000 0.215 411 D C 0.989 177.348 176.300 0.099 0.000 0.976 411 D CA 0.865 54.930 54.000 0.108 0.000 0.884 411 D CB -0.379 40.482 40.800 0.102 0.000 0.915 411 D HN 0.465 nan 8.370 nan 0.000 0.526 412 V N -3.753 116.227 119.914 0.110 0.000 3.158 412 V HA 0.816 4.937 4.120 0.001 0.000 0.311 412 V C -0.227 175.890 176.094 0.039 0.000 1.181 412 V CA -1.298 61.047 62.300 0.075 0.000 1.054 412 V CB 1.171 33.050 31.823 0.094 0.000 1.085 412 V HN 0.098 nan 8.190 nan 0.000 0.446 413 A N 1.214 124.048 122.820 0.023 0.000 2.488 413 A HA 0.655 4.975 4.320 0.001 0.000 0.249 413 A C 0.338 177.910 177.584 -0.021 0.000 1.083 413 A CA 0.784 52.824 52.037 0.004 0.000 0.768 413 A CB -0.130 18.868 19.000 -0.002 0.000 1.017 413 A HN 1.816 nan 8.150 nan 0.000 0.496 414 S N 1.480 117.168 115.700 -0.020 0.000 2.556 414 S HA 0.480 4.950 4.470 0.001 0.000 0.271 414 S C -1.356 173.239 174.600 -0.008 0.000 1.135 414 S CA -0.704 57.462 58.200 -0.056 0.000 0.858 414 S CB 1.360 64.475 63.200 -0.142 0.000 1.114 414 S HN 0.651 nan 8.310 nan 0.000 0.468 415 Q N 2.756 122.525 119.800 -0.051 0.000 2.349 415 Q HA 0.302 4.642 4.340 0.001 0.000 0.254 415 Q C 0.891 176.880 176.000 -0.018 0.000 0.980 415 Q CA -0.022 55.743 55.803 -0.064 0.000 0.924 415 Q CB 0.472 29.157 28.738 -0.088 0.000 1.209 415 Q HN 0.869 nan 8.270 nan 0.000 0.445 416 H N 0.218 119.169 119.070 -0.198 0.000 2.353 416 H HA -0.009 4.548 4.556 0.001 0.000 0.300 416 H C 0.193 175.356 175.328 -0.274 0.000 1.090 416 H CA 0.678 56.570 56.048 -0.259 0.000 1.327 416 H CB 0.759 30.392 29.762 -0.215 0.000 1.383 416 H HN 0.175 nan 8.280 nan 0.000 0.508 417 V N 1.330 121.200 119.914 -0.074 0.000 2.733 417 V HA 0.264 4.384 4.120 0.001 0.000 0.306 417 V C -0.658 175.359 176.094 -0.129 0.000 1.084 417 V CA -0.766 61.463 62.300 -0.119 0.000 0.905 417 V CB 2.686 34.447 31.823 -0.104 0.000 1.010 417 V HN -0.104 nan 8.190 nan 0.000 0.424 418 V N 5.473 125.312 119.914 -0.124 0.000 2.531 418 V HA 0.522 4.643 4.120 0.001 0.000 0.301 418 V C -0.869 175.161 176.094 -0.106 0.000 1.034 418 V CA -0.552 61.669 62.300 -0.131 0.000 0.865 418 V CB 2.011 33.788 31.823 -0.076 0.000 0.995 418 V HN 0.575 nan 8.190 nan 0.000 0.424 419 L N 5.301 126.453 121.223 -0.118 0.000 2.316 419 L HA 0.459 4.799 4.340 0.001 0.000 0.280 419 L C 0.143 177.037 176.870 0.041 0.000 1.006 419 L CA -0.339 54.463 54.840 -0.063 0.000 0.836 419 L CB 1.362 43.374 42.059 -0.078 0.000 1.221 419 L HN 0.815 nan 8.230 nan 0.000 0.418 420 D N 2.575 123.028 120.400 0.088 0.000 2.360 420 D HA 0.067 4.707 4.640 0.001 0.000 0.242 420 D C 1.005 177.385 176.300 0.132 0.000 1.184 420 D CA -0.118 54.002 54.000 0.200 0.000 0.930 420 D CB 1.499 42.338 40.800 0.066 0.000 1.161 420 D HN 0.476 nan 8.370 nan 0.000 0.447 421 A N 1.373 124.255 122.820 0.104 0.000 2.234 421 A HA -0.102 4.219 4.320 0.001 0.000 0.216 421 A C 2.110 179.691 177.584 -0.004 0.000 1.167 421 A CA 1.198 53.262 52.037 0.045 0.000 0.698 421 A CB -0.495 18.489 19.000 -0.026 0.000 0.779 421 A HN 0.513 nan 8.150 nan 0.000 0.475 422 S N -0.526 115.166 115.700 -0.014 0.000 2.458 422 S HA -0.003 4.468 4.470 0.001 0.000 0.223 422 S C 1.313 175.886 174.600 -0.044 0.000 1.019 422 S CA 0.712 58.894 58.200 -0.030 0.000 0.937 422 S CB -0.328 62.856 63.200 -0.027 0.000 0.788 422 S HN 0.843 nan 8.310 nan 0.000 0.511 423 T N 2.234 116.762 114.554 -0.043 0.000 2.900 423 T HA 0.383 4.733 4.350 0.001 0.000 0.307 423 T C -0.006 174.625 174.700 -0.115 0.000 1.065 423 T CA -0.302 61.758 62.100 -0.066 0.000 1.105 423 T CB 0.879 69.714 68.868 -0.055 0.000 0.979 423 T HN 0.260 nan 8.240 nan 0.000 0.544 424 T N -1.152 113.305 114.554 -0.162 0.000 2.916 424 T HA 0.412 4.763 4.350 0.001 0.000 0.305 424 T C -0.376 174.151 174.700 -0.290 0.000 1.119 424 T CA -0.983 60.896 62.100 -0.368 0.000 1.008 424 T CB 0.930 69.478 68.868 -0.534 0.000 1.129 424 T HN 0.886 nan 8.240 nan 0.000 0.480 425 H N -0.734 118.332 119.070 -0.008 0.000 2.690 425 H HA -0.137 4.419 4.556 0.001 0.000 0.309 425 H C 0.302 175.623 175.328 -0.012 0.000 1.138 425 H CA 0.746 56.789 56.048 -0.009 0.000 1.142 425 H CB -2.383 27.375 29.762 -0.007 0.000 1.410 425 H HN 0.722 nan 8.280 nan 0.000 0.409 426 S N 0.169 115.891 115.700 0.038 0.000 2.593 426 S HA 0.420 4.890 4.470 0.001 0.000 0.269 426 S C 0.877 175.487 174.600 0.016 0.000 1.334 426 S CA -0.400 57.809 58.200 0.014 0.000 1.015 426 S CB 1.620 64.808 63.200 -0.022 0.000 0.912 426 S HN 0.245 nan 8.310 nan 0.000 0.541 427 K N 1.276 121.679 120.400 0.006 0.000 2.507 427 K HA 0.553 4.874 4.320 0.001 0.000 0.252 427 K C -1.751 174.843 176.600 -0.010 0.000 0.943 427 K CA -0.317 55.971 56.287 0.002 0.000 0.808 427 K CB 1.603 34.108 32.500 0.008 0.000 1.142 427 K HN 0.335 nan 8.250 nan 0.000 0.426 428 V N 5.602 125.506 119.914 -0.017 0.000 2.376 428 V HA 0.509 4.629 4.120 0.001 0.000 0.287 428 V C -0.860 175.223 176.094 -0.017 0.000 1.015 428 V CA -0.828 61.459 62.300 -0.023 0.000 0.834 428 V CB 0.914 32.712 31.823 -0.041 0.000 1.001 428 V HN 0.549 nan 8.190 nan 0.000 0.428 429 L N 3.521 124.738 121.223 -0.008 0.000 2.362 429 L HA 0.646 4.987 4.340 0.001 0.000 0.275 429 L C -0.143 176.730 176.870 0.004 0.000 0.998 429 L CA -0.904 53.933 54.840 -0.004 0.000 0.820 429 L CB 1.834 43.894 42.059 0.000 0.000 1.270 429 L HN 0.550 nan 8.230 nan 0.000 0.415 430 D N 1.460 121.863 120.400 0.005 0.000 2.692 430 D HA -0.172 4.469 4.640 0.001 0.000 0.233 430 D C 0.349 176.670 176.300 0.036 0.000 1.172 430 D CA 1.045 55.054 54.000 0.016 0.000 0.636 430 D CB -0.804 40.005 40.800 0.014 0.000 1.028 430 D HN 0.617 nan 8.370 nan 0.000 0.419 431 S N -0.599 115.122 115.700 0.034 0.000 2.855 431 S HA 0.533 5.004 4.470 0.001 0.000 0.249 431 S C 0.647 175.323 174.600 0.127 0.000 1.033 431 S CA 0.033 58.269 58.200 0.059 0.000 1.038 431 S CB 1.694 64.899 63.200 0.009 0.000 0.960 431 S HN 0.839 nan 8.310 nan 0.000 0.548 432 G N 1.356 110.208 108.800 0.086 0.000 2.326 432 G HA2 0.198 4.159 3.960 0.001 0.000 0.413 432 G HA3 0.198 4.159 3.960 0.001 0.000 0.413 432 G C -0.425 174.419 174.900 -0.094 0.000 1.444 432 G CA -0.470 44.625 45.100 -0.009 0.000 1.002 432 G HN 0.266 nan 8.290 nan 0.000 0.649 433 T N -0.853 113.612 114.554 -0.149 0.000 2.766 433 T HA 0.587 4.938 4.350 0.001 0.000 0.295 433 T C 1.992 176.613 174.700 -0.131 0.000 1.024 433 T CA 0.856 62.890 62.100 -0.110 0.000 1.018 433 T CB 1.346 70.155 68.868 -0.098 0.000 1.002 433 T HN 2.100 nan 8.240 nan 0.000 0.532 434 A N 1.000 123.762 122.820 -0.096 0.000 1.978 434 A HA -0.051 4.270 4.320 0.001 0.000 0.220 434 A C 2.405 179.919 177.584 -0.117 0.000 1.170 434 A CA 1.814 53.793 52.037 -0.096 0.000 0.636 434 A CB -1.268 17.690 19.000 -0.070 0.000 0.810 434 A HN 1.139 nan 8.150 nan 0.000 0.448 435 S N -1.465 114.162 115.700 -0.121 0.000 2.605 435 S HA 0.125 4.595 4.470 0.001 0.000 0.217 435 S C 1.101 175.597 174.600 -0.173 0.000 0.958 435 S CA 0.364 58.489 58.200 -0.124 0.000 0.919 435 S CB 0.038 63.183 63.200 -0.092 0.000 0.780 435 S HN 0.676 nan 8.310 nan 0.000 0.507 436 Q N 0.355 120.005 119.800 -0.251 0.000 2.247 436 Q HA 0.454 4.795 4.340 0.001 0.000 0.211 436 Q C -0.492 175.320 176.000 -0.312 0.000 0.861 436 Q CA 0.124 55.687 55.803 -0.399 0.000 0.949 436 Q CB 0.663 28.900 28.738 -0.835 0.000 1.115 436 Q HN 0.579 nan 8.270 nan 0.000 0.507 437 I N 0.750 121.188 120.570 -0.219 0.000 2.436 437 I HA 0.290 4.460 4.170 0.001 0.000 0.289 437 I C -0.583 175.420 176.117 -0.191 0.000 1.010 437 I CA -0.520 60.673 61.300 -0.178 0.000 1.098 437 I CB 2.325 40.237 38.000 -0.146 0.000 1.266 437 I HN -0.200 nan 8.210 nan 0.000 0.434 438 T N 3.813 118.229 114.554 -0.230 0.000 2.772 438 T HA 0.272 4.623 4.350 0.001 0.000 0.288 438 T C -0.295 174.151 174.700 -0.424 0.000 0.994 438 T CA -0.448 61.440 62.100 -0.353 0.000 0.951 438 T CB 1.275 69.881 68.868 -0.436 0.000 0.933 438 T HN 0.510 nan 8.240 nan 0.000 0.447 439 S N 2.527 117.991 115.700 -0.394 0.000 2.530 439 S HA 0.414 4.885 4.470 0.001 0.000 0.322 439 S C -0.389 174.032 174.600 -0.298 0.000 1.085 439 S CA -0.631 57.394 58.200 -0.291 0.000 1.096 439 S CB 0.262 63.371 63.200 -0.151 0.000 0.988 439 S HN 0.640 nan 8.310 nan 0.000 0.466 440 Y N 2.597 122.869 120.300 -0.047 0.000 2.468 440 Y HA 0.375 4.925 4.550 0.001 0.000 0.268 440 Y C 1.413 177.287 175.900 -0.044 0.000 1.177 440 Y CA -0.216 57.859 58.100 -0.042 0.000 1.265 440 Y CB 0.138 38.573 38.460 -0.042 0.000 1.103 440 Y HN 0.537 nan 8.280 nan 0.000 0.522 441 S N -0.697 115.038 115.700 0.059 0.000 2.767 441 S HA 0.472 4.943 4.470 0.001 0.000 0.300 441 S C 1.031 175.631 174.600 -0.000 0.000 1.123 441 S CA 0.039 58.248 58.200 0.015 0.000 0.992 441 S CB 0.992 64.176 63.200 -0.027 0.000 1.138 441 S HN 0.165 nan 8.310 nan 0.000 0.550 442 S N -0.417 115.277 115.700 -0.009 0.000 2.733 442 S HA 0.201 4.671 4.470 0.001 0.000 0.247 442 S C -0.107 174.497 174.600 0.007 0.000 1.043 442 S CA 0.136 58.335 58.200 -0.001 0.000 1.066 442 S CB -0.241 62.963 63.200 0.006 0.000 1.045 442 S HN 0.718 nan 8.310 nan 0.000 0.586 443 D N 1.105 121.508 120.400 0.004 0.000 2.395 443 D HA 0.171 4.811 4.640 0.001 0.000 0.213 443 D C 0.008 176.341 176.300 0.054 0.000 1.110 443 D CA -0.079 53.956 54.000 0.058 0.000 0.835 443 D CB -0.244 40.638 40.800 0.135 0.000 0.965 443 D HN 0.135 nan 8.370 nan 0.000 0.505 444 T N 1.023 115.581 114.554 0.007 0.000 2.916 444 T HA 0.469 4.819 4.350 0.001 0.000 0.303 444 T C 0.195 174.896 174.700 0.001 0.000 1.025 444 T CA -0.311 61.788 62.100 -0.002 0.000 1.142 444 T CB 1.062 69.911 68.868 -0.033 0.000 0.947 444 T HN 0.282 nan 8.240 nan 0.000 0.544 445 A N 4.398 127.221 122.820 0.005 0.000 2.271 445 A HA 0.711 5.031 4.320 0.001 0.000 0.317 445 A C -0.253 177.323 177.584 -0.013 0.000 1.245 445 A CA -0.699 51.337 52.037 -0.001 0.000 0.857 445 A CB 0.195 19.199 19.000 0.007 0.000 1.175 445 A HN 0.850 nan 8.150 nan 0.000 0.512 446 I N 1.772 122.329 120.570 -0.021 0.000 2.509 446 I HA 0.532 4.702 4.170 0.001 0.000 0.293 446 I C 0.159 176.261 176.117 -0.025 0.000 1.020 446 I CA -0.603 60.680 61.300 -0.030 0.000 1.088 446 I CB 2.201 40.174 38.000 -0.045 0.000 1.267 446 I HN 0.747 nan 8.210 nan 0.000 0.430 447 R N 6.800 127.286 120.500 -0.023 0.000 2.435 447 R HA 0.478 4.818 4.340 0.001 0.000 0.308 447 R C -2.758 173.529 176.300 -0.021 0.000 0.975 447 R CA -1.548 54.541 56.100 -0.019 0.000 0.867 447 R CB 1.747 32.040 30.300 -0.012 0.000 1.171 447 R HN 0.220 nan 8.270 nan 0.000 0.470 448 P HA -0.023 nan 4.420 nan 0.000 0.266 448 P C -0.753 176.537 177.300 -0.015 0.000 1.193 448 P CA 0.254 63.337 63.100 -0.028 0.000 0.770 448 P CB 0.672 32.354 31.700 -0.030 0.000 0.836 449 T N 4.867 119.415 114.554 -0.010 0.000 2.779 449 T HA 0.218 4.568 4.350 0.001 0.000 0.296 449 T C -1.784 172.914 174.700 -0.004 0.000 0.938 449 T CA -0.783 61.320 62.100 0.004 0.000 1.119 449 T CB -0.269 68.616 68.868 0.027 0.000 0.891 449 T HN 0.330 nan 8.240 nan 0.000 0.526 450 P HA 0.000 nan 4.420 nan 0.000 0.216 450 P CA 0.000 63.096 63.100 -0.007 0.000 0.800 450 P CB 0.000 31.696 31.700 -0.006 0.000 0.726