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 2yxv_1_A DATA FIRST_RESID 30 DATA SEQUENCE ERPTLPIPDL LTTDARNRIQ LTIGAGQSTF GGKTATTWGY NGNLLGPAVK DATA SEQUENCE LQRGKAVTVD IYNQLTEETT LHWHGLEVPG EVDGGPQGII PPGGKRSVTL DATA SEQUENCE NVDQPAATCW FHPHQHGKTG RQVAMGLAGL VVIEDDEILK LMLPKQWGID DATA SEQUENCE DVPVIVQDKK FSADGQIDYQ LDVMTAAVGW FGDTLLTNGA IYPQHAAPRG DATA SEQUENCE WLRLRLLNGC NARSLNFATS DNRPLYVIAS DGGLLPEPVK VSELPVLMGE DATA SEQUENCE RFEVLVEVND NKPFDLVTLP VSQMGMAIAP FDKPHPVMRI QPIAISASGA DATA SEQUENCE LPDTLSSLPA LPSLEGLTVR KLQLSMDGXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXGANK INGQAFDMNK PMFAAAKGQY DATA SEQUENCE ERWVISGVGD MMLHPFHIHG TQFRILSENG KPPAAHRAGW KDTVKVEGNV DATA SEQUENCE SEVLVKFNHD APKEHAYMAH CHLLEHEDTG MMLGFTVGHH HH 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 30 E HA 0.000 nan 4.350 nan 0.000 0.291 30 E C 0.000 176.560 176.600 -0.066 0.000 1.382 30 E CA 0.000 56.369 56.400 -0.051 0.000 0.976 30 E CB 0.000 29.669 29.700 -0.051 0.000 0.812 31 R N 1.805 122.239 120.500 -0.110 0.000 2.623 31 R HA 0.253 4.028 4.340 -0.942 0.000 0.271 31 R C -1.987 174.246 176.300 -0.113 0.000 1.043 31 R CA -1.555 54.453 56.100 -0.154 0.000 1.083 31 R CB -0.739 29.362 30.300 -0.332 0.000 0.974 31 R HN 0.273 nan 8.270 nan 0.000 0.436 32 P HA 0.024 nan 4.420 nan 0.000 0.272 32 P C -0.352 176.912 177.300 -0.059 0.000 1.223 32 P CA -0.231 62.838 63.100 -0.051 0.000 0.784 32 P CB 0.289 31.976 31.700 -0.021 0.000 0.923 33 T N -0.195 114.335 114.554 -0.041 0.000 2.918 33 T HA 0.179 3.963 4.350 -0.942 0.000 0.302 33 T C 0.513 175.213 174.700 0.001 0.000 1.045 33 T CA -0.868 61.214 62.100 -0.030 0.000 1.114 33 T CB 0.152 69.005 68.868 -0.025 0.000 0.965 33 T HN 0.294 nan 8.240 nan 0.000 0.540 34 L N 4.261 125.500 121.223 0.026 0.000 2.615 34 L HA 0.283 4.057 4.340 -0.942 0.000 0.271 34 L C -2.277 174.612 176.870 0.031 0.000 1.183 34 L CA -1.334 53.526 54.840 0.032 0.000 0.933 34 L CB -0.477 41.603 42.059 0.036 0.000 1.199 34 L HN 0.503 nan 8.230 nan 0.000 0.487 35 P HA 0.118 nan 4.420 nan 0.000 0.268 35 P C -0.959 176.354 177.300 0.022 0.000 1.205 35 P CA 0.104 63.227 63.100 0.038 0.000 0.771 35 P CB 0.406 32.139 31.700 0.056 0.000 0.858 36 I N 4.473 125.067 120.570 0.039 0.000 2.354 36 I HA 0.275 3.880 4.170 -0.942 0.000 0.286 36 I C -2.117 174.095 176.117 0.158 0.000 1.007 36 I CA -3.065 58.251 61.300 0.027 0.000 1.167 36 I CB 0.668 38.661 38.000 -0.012 0.000 1.320 36 I HN 0.145 nan 8.210 nan 0.000 0.458 37 P HA 0.039 nan 4.420 nan 0.000 0.264 37 P C -0.547 177.003 177.300 0.417 0.000 1.183 37 P CA -0.008 63.270 63.100 0.297 0.000 0.763 37 P CB 0.439 32.334 31.700 0.325 0.000 0.807 38 D N 1.712 122.278 120.400 0.276 0.000 2.458 38 D HA 0.021 4.095 4.640 -0.942 0.000 0.243 38 D C -0.001 176.368 176.300 0.115 0.000 1.146 38 D CA 0.137 54.264 54.000 0.213 0.000 0.877 38 D CB 0.186 41.070 40.800 0.140 0.000 1.176 38 D HN 0.145 nan 8.370 nan 0.000 0.461 39 L N 4.398 125.576 121.223 -0.075 0.000 2.363 39 L HA 0.205 3.979 4.340 -0.942 0.000 0.286 39 L C -1.055 175.699 176.870 -0.193 0.000 1.106 39 L CA -0.420 54.171 54.840 -0.413 0.000 0.859 39 L CB 0.254 41.770 42.059 -0.905 0.000 1.223 39 L HN 0.233 nan 8.230 nan 0.000 0.446 40 L N 5.897 127.053 121.223 -0.111 0.000 2.257 40 L HA 0.594 4.369 4.340 -0.942 0.000 0.290 40 L C 0.279 177.112 176.870 -0.062 0.000 1.044 40 L CA 0.213 55.029 54.840 -0.040 0.000 0.810 40 L CB 1.038 43.115 42.059 0.031 0.000 1.193 40 L HN 0.792 nan 8.230 nan 0.000 0.425 41 T N 0.324 114.843 114.554 -0.058 0.000 2.938 41 T HA 0.638 4.423 4.350 -0.942 0.000 0.285 41 T C 0.279 174.953 174.700 -0.044 0.000 1.028 41 T CA -0.204 61.858 62.100 -0.063 0.000 1.005 41 T CB 0.961 69.789 68.868 -0.067 0.000 1.157 41 T HN 0.726 nan 8.240 nan 0.000 0.550 42 T N 0.316 114.840 114.554 -0.050 0.000 2.903 42 T HA 0.323 4.107 4.350 -0.942 0.000 0.314 42 T C 0.125 174.809 174.700 -0.027 0.000 1.078 42 T CA -0.552 61.523 62.100 -0.041 0.000 1.114 42 T CB -0.038 68.800 68.868 -0.050 0.000 0.987 42 T HN 0.864 nan 8.240 nan 0.000 0.548 43 D N 0.930 121.320 120.400 -0.018 0.000 2.478 43 D HA 0.423 4.498 4.640 -0.942 0.000 0.274 43 D C 1.473 177.764 176.300 -0.014 0.000 1.234 43 D CA -0.425 53.568 54.000 -0.011 0.000 1.069 43 D CB -0.033 40.766 40.800 -0.002 0.000 1.113 43 D HN 0.582 nan 8.370 nan 0.000 0.571 44 A N -0.906 121.908 122.820 -0.010 0.000 2.121 44 A HA -0.092 3.663 4.320 -0.942 0.000 0.218 44 A C 1.902 179.479 177.584 -0.012 0.000 1.154 44 A CA 0.817 52.847 52.037 -0.011 0.000 0.679 44 A CB -0.553 18.443 19.000 -0.007 0.000 0.795 44 A HN 0.473 nan 8.150 nan 0.000 0.458 45 R N -1.262 119.231 120.500 -0.011 0.000 2.466 45 R HA 0.094 3.869 4.340 -0.942 0.000 0.279 45 R C 0.077 176.366 176.300 -0.019 0.000 0.976 45 R CA 0.199 56.292 56.100 -0.012 0.000 1.081 45 R CB -0.082 30.215 30.300 -0.005 0.000 1.215 45 R HN 0.489 nan 8.270 nan 0.000 0.546 46 N N 1.230 119.915 118.700 -0.025 0.000 2.776 46 N HA -0.180 3.995 4.740 -0.942 0.000 0.249 46 N C -1.240 174.245 175.510 -0.042 0.000 1.111 46 N CA 0.772 53.800 53.050 -0.037 0.000 0.711 46 N CB -0.369 38.093 38.487 -0.041 0.000 1.065 46 N HN 0.224 nan 8.380 nan 0.000 0.556 47 R N -0.115 120.368 120.500 -0.028 0.000 2.803 47 R HA 0.678 4.453 4.340 -0.942 0.000 0.276 47 R C -0.238 176.053 176.300 -0.014 0.000 0.978 47 R CA -0.826 55.260 56.100 -0.023 0.000 0.939 47 R CB 1.524 31.824 30.300 -0.000 0.000 1.179 47 R HN 0.142 nan 8.270 nan 0.000 0.472 48 I N 1.726 122.289 120.570 -0.011 0.000 2.498 48 I HA 0.236 3.840 4.170 -0.942 0.000 0.290 48 I C -0.347 175.803 176.117 0.054 0.000 1.032 48 I CA -0.659 60.645 61.300 0.008 0.000 1.073 48 I CB 2.345 40.331 38.000 -0.025 0.000 1.251 48 I HN 0.273 nan 8.210 nan 0.000 0.426 49 Q N 6.497 126.354 119.800 0.094 0.000 2.290 49 Q HA 0.613 4.387 4.340 -0.942 0.000 0.259 49 Q C -1.255 174.847 176.000 0.170 0.000 0.941 49 Q CA -0.651 55.261 55.803 0.182 0.000 0.912 49 Q CB 2.730 31.579 28.738 0.185 0.000 1.244 49 Q HN 0.509 nan 8.270 nan 0.000 0.441 50 L N 2.149 123.496 121.223 0.207 0.000 2.349 50 L HA 0.461 4.236 4.340 -0.942 0.000 0.278 50 L C -0.418 176.633 176.870 0.302 0.000 0.996 50 L CA -0.482 54.483 54.840 0.207 0.000 0.825 50 L CB 2.080 44.187 42.059 0.081 0.000 1.243 50 L HN 0.498 nan 8.230 nan 0.000 0.412 51 T N 4.383 119.103 114.554 0.278 0.000 2.770 51 T HA 0.560 4.345 4.350 -0.942 0.000 0.283 51 T C -0.018 174.814 174.700 0.220 0.000 0.988 51 T CA -0.292 61.950 62.100 0.237 0.000 0.957 51 T CB 0.958 69.894 68.868 0.115 0.000 0.930 51 T HN 0.264 nan 8.240 nan 0.000 0.443 52 I N 2.889 123.561 120.570 0.171 0.000 2.315 52 I HA 0.657 4.261 4.170 -0.942 0.000 0.291 52 I C 0.826 176.893 176.117 -0.083 0.000 1.006 52 I CA -0.429 60.893 61.300 0.037 0.000 1.265 52 I CB 1.104 39.117 38.000 0.022 0.000 1.387 52 I HN 0.688 nan 8.210 nan 0.000 0.475 53 G N 3.962 112.684 108.800 -0.130 0.000 2.690 53 G HA2 0.723 4.118 3.960 -0.942 0.000 0.293 53 G HA3 0.723 4.118 3.960 -0.942 0.000 0.293 53 G C -1.641 173.159 174.900 -0.167 0.000 1.399 53 G CA -0.691 44.318 45.100 -0.151 0.000 0.890 53 G HN 0.742 nan 8.290 nan 0.000 0.485 54 A N -0.504 122.209 122.820 -0.178 0.000 2.301 54 A HA 0.969 4.723 4.320 -0.942 0.000 0.312 54 A C 0.626 178.257 177.584 0.078 0.000 1.182 54 A CA 0.325 52.364 52.037 0.004 0.000 0.826 54 A CB 1.288 20.279 19.000 -0.016 0.000 1.134 54 A HN 1.882 nan 8.150 nan 0.000 0.501 55 G N 0.246 109.135 108.800 0.149 0.000 2.947 55 G HA2 0.571 3.965 3.960 -0.942 0.000 0.293 55 G HA3 0.571 3.965 3.960 -0.942 0.000 0.293 55 G C -1.528 173.441 174.900 0.115 0.000 1.243 55 G CA -0.363 44.798 45.100 0.102 0.000 0.802 55 G HN 0.613 nan 8.290 nan 0.000 0.560 56 Q N -0.149 119.695 119.800 0.074 0.000 2.365 56 Q HA 0.720 4.495 4.340 -0.942 0.000 0.269 56 Q C -0.957 175.046 176.000 0.006 0.000 1.061 56 Q CA -0.473 55.363 55.803 0.055 0.000 0.816 56 Q CB 2.073 30.829 28.738 0.030 0.000 1.325 56 Q HN 0.428 nan 8.270 nan 0.000 0.446 57 S N 0.197 115.874 115.700 -0.039 0.000 2.634 57 S HA 0.709 4.614 4.470 -0.942 0.000 0.296 57 S C -0.728 173.624 174.600 -0.415 0.000 1.104 57 S CA -0.575 57.475 58.200 -0.251 0.000 0.920 57 S CB 1.912 64.909 63.200 -0.337 0.000 1.111 57 S HN 0.463 nan 8.310 nan 0.000 0.493 58 T N 2.212 116.413 114.554 -0.589 0.000 2.792 58 T HA 0.658 4.442 4.350 -0.942 0.000 0.280 58 T C -1.420 172.859 174.700 -0.701 0.000 0.990 58 T CA -0.238 61.579 62.100 -0.472 0.000 0.960 58 T CB 0.158 68.890 68.868 -0.227 0.000 0.939 58 T HN 0.359 nan 8.240 nan 0.000 0.439 59 F N 0.797 120.669 119.950 -0.130 0.000 2.518 59 F HA 0.558 4.519 4.527 -0.943 0.000 0.323 59 F C 1.114 176.794 175.800 -0.201 0.000 1.129 59 F CA -0.980 56.904 58.000 -0.194 0.000 0.920 59 F CB 1.623 40.358 39.000 -0.442 0.000 1.160 59 F HN 0.807 nan 8.300 nan 0.000 0.440 60 G N 1.724 110.547 108.800 0.039 0.000 2.395 60 G HA2 0.087 3.481 3.960 -0.942 0.000 0.300 60 G HA3 0.087 3.481 3.960 -0.942 0.000 0.300 60 G C 1.143 176.030 174.900 -0.022 0.000 0.998 60 G CA 0.767 45.868 45.100 0.002 0.000 1.046 60 G HN 1.947 nan 8.290 nan 0.000 0.513 61 G N -1.477 107.304 108.800 -0.032 0.000 2.168 61 G HA2 -0.307 3.087 3.960 -0.942 0.000 0.263 61 G HA3 -0.307 3.087 3.960 -0.942 0.000 0.263 61 G C 0.315 175.192 174.900 -0.037 0.000 0.977 61 G CA 1.225 46.304 45.100 -0.035 0.000 0.659 61 G HN 1.042 nan 8.290 nan 0.000 0.533 62 K N 1.213 121.586 120.400 -0.044 0.000 2.323 62 K HA 0.516 4.271 4.320 -0.942 0.000 0.259 62 K C 0.566 177.151 176.600 -0.026 0.000 0.947 62 K CA -0.063 56.206 56.287 -0.030 0.000 0.819 62 K CB 1.582 34.062 32.500 -0.033 0.000 1.109 62 K HN 0.287 nan 8.250 nan 0.000 0.429 63 T N -0.627 113.923 114.554 -0.008 0.000 2.899 63 T HA 0.622 4.407 4.350 -0.942 0.000 0.295 63 T C -0.028 174.719 174.700 0.079 0.000 1.033 63 T CA -0.772 61.329 62.100 0.002 0.000 1.084 63 T CB 1.369 70.239 68.868 0.003 0.000 0.979 63 T HN 0.574 nan 8.240 nan 0.000 0.532 64 A N 1.833 124.730 122.820 0.128 0.000 2.520 64 A HA 0.640 4.394 4.320 -0.942 0.000 0.298 64 A C 0.126 177.831 177.584 0.202 0.000 1.051 64 A CA -1.011 51.167 52.037 0.234 0.000 0.690 64 A CB 1.224 20.509 19.000 0.475 0.000 1.281 64 A HN 0.864 nan 8.150 nan 0.000 0.402 65 T N 2.764 117.423 114.554 0.175 0.000 2.853 65 T HA 0.480 4.265 4.350 -0.942 0.000 0.298 65 T C 0.545 175.352 174.700 0.177 0.000 0.978 65 T CA 1.077 63.277 62.100 0.167 0.000 1.152 65 T CB -0.090 68.870 68.868 0.154 0.000 0.914 65 T HN 1.098 nan 8.240 nan 0.000 0.539 66 T N 0.262 114.943 114.554 0.212 0.000 2.896 66 T HA 0.672 4.456 4.350 -0.942 0.000 0.297 66 T C -1.525 173.390 174.700 0.358 0.000 1.108 66 T CA -1.088 61.128 62.100 0.194 0.000 1.004 66 T CB 1.297 70.318 68.868 0.255 0.000 1.159 66 T HN 0.471 nan 8.240 nan 0.000 0.499 67 W N 0.217 121.520 121.300 0.005 0.000 2.627 67 W HA 0.820 4.912 4.660 -0.947 0.000 0.339 67 W C 0.402 176.868 176.519 -0.089 0.000 1.058 67 W CA -0.974 56.335 57.345 -0.060 0.000 1.223 67 W CB 1.810 31.200 29.460 -0.117 0.000 1.389 67 W HN 1.254 nan 8.180 nan 0.000 0.541 68 G N 0.529 109.384 108.800 0.093 0.000 2.684 68 G HA2 0.601 3.996 3.960 -0.942 0.000 0.290 68 G HA3 0.601 3.996 3.960 -0.942 0.000 0.290 68 G C -2.581 172.249 174.900 -0.117 0.000 1.425 68 G CA -0.812 44.279 45.100 -0.016 0.000 0.822 68 G HN 0.154 nan 8.290 nan 0.000 0.482 69 Y N 0.734 121.130 120.300 0.160 0.000 2.328 69 Y HA 0.329 4.309 4.550 -0.949 0.000 0.337 69 Y C 0.747 176.742 175.900 0.160 0.000 1.008 69 Y CA -0.931 57.276 58.100 0.179 0.000 1.129 69 Y CB 1.426 40.054 38.460 0.280 0.000 1.185 69 Y HN 0.495 nan 8.280 nan 0.000 0.476 70 N N 1.704 120.569 118.700 0.275 0.000 2.705 70 N HA -0.152 4.022 4.740 -0.942 0.000 0.255 70 N C -0.098 175.501 175.510 0.148 0.000 1.008 70 N CA 1.370 54.531 53.050 0.185 0.000 0.742 70 N CB -0.925 37.677 38.487 0.192 0.000 0.906 70 N HN 1.125 nan 8.380 nan 0.000 0.541 71 G N -1.119 107.753 108.800 0.121 0.000 2.359 71 G HA2 0.049 3.444 3.960 -0.942 0.000 0.293 71 G HA3 0.049 3.444 3.960 -0.942 0.000 0.293 71 G C 0.109 175.064 174.900 0.092 0.000 1.300 71 G CA -0.410 44.750 45.100 0.101 0.000 0.888 71 G HN 0.065 nan 8.290 nan 0.000 0.541 72 N N -1.008 117.745 118.700 0.088 0.000 2.422 72 N HA 0.176 4.351 4.740 -0.942 0.000 0.181 72 N C 0.145 175.733 175.510 0.131 0.000 1.080 72 N CA 0.792 53.901 53.050 0.098 0.000 0.893 72 N CB 0.707 39.239 38.487 0.075 0.000 0.973 72 N HN 0.510 nan 8.380 nan 0.000 0.456 73 L N -0.059 121.241 121.223 0.128 0.000 2.591 73 L HA 0.277 4.051 4.340 -0.942 0.000 0.257 73 L C -0.210 176.748 176.870 0.148 0.000 0.935 73 L CA -0.402 54.529 54.840 0.151 0.000 0.873 73 L CB 1.065 43.230 42.059 0.178 0.000 1.397 73 L HN -0.027 nan 8.230 nan 0.000 0.414 74 L N 1.797 123.107 121.223 0.145 0.000 6.706 74 L HA -0.056 3.719 4.340 -0.942 0.000 0.053 74 L C 0.610 177.610 176.870 0.218 0.000 1.950 74 L CA 1.523 56.459 54.840 0.159 0.000 1.620 74 L CB -1.633 40.515 42.059 0.148 0.000 2.781 74 L HN 1.077 nan 8.230 nan 0.000 1.068 75 G N -2.050 106.883 108.800 0.221 0.000 2.441 75 G HA2 0.579 3.974 3.960 -0.942 0.000 0.294 75 G HA3 0.579 3.974 3.960 -0.942 0.000 0.294 75 G C -3.174 171.870 174.900 0.239 0.000 1.393 75 G CA -0.069 45.208 45.100 0.295 0.000 0.796 75 G HN 0.454 nan 8.290 nan 0.000 0.494 76 P HA 0.521 nan 4.420 nan 0.000 0.277 76 P C -0.490 176.979 177.300 0.282 0.000 1.271 76 P CA -0.171 63.087 63.100 0.264 0.000 0.795 76 P CB 1.410 33.257 31.700 0.245 0.000 1.101 77 A N 1.003 123.958 122.820 0.225 0.000 2.294 77 A HA 0.384 4.139 4.320 -0.942 0.000 0.316 77 A C -0.005 177.624 177.584 0.076 0.000 1.359 77 A CA -0.626 51.514 52.037 0.171 0.000 0.956 77 A CB -0.447 18.590 19.000 0.061 0.000 1.155 77 A HN 0.298 nan 8.150 nan 0.000 0.544 78 V N 3.638 123.673 119.914 0.201 0.000 2.479 78 V HA 0.081 3.636 4.120 -0.942 0.000 0.281 78 V C 0.685 176.774 176.094 -0.009 0.000 1.031 78 V CA 0.237 62.592 62.300 0.091 0.000 1.038 78 V CB 0.655 32.555 31.823 0.127 0.000 0.981 78 V HN 0.828 nan 8.190 nan 0.000 0.478 79 K N 6.204 126.551 120.400 -0.088 0.000 2.240 79 K HA 0.638 4.393 4.320 -0.942 0.000 0.271 79 K C -1.130 175.405 176.600 -0.108 0.000 1.018 79 K CA -0.498 55.716 56.287 -0.122 0.000 0.874 79 K CB 0.694 33.087 32.500 -0.178 0.000 1.098 79 K HN 0.611 nan 8.250 nan 0.000 0.458 80 L N 3.374 124.536 121.223 -0.102 0.000 2.341 80 L HA 0.430 4.205 4.340 -0.942 0.000 0.267 80 L C -0.662 176.153 176.870 -0.092 0.000 1.009 80 L CA -1.186 53.585 54.840 -0.115 0.000 0.819 80 L CB 2.264 44.232 42.059 -0.152 0.000 1.323 80 L HN 0.601 nan 8.230 nan 0.000 0.425 81 Q N 1.248 120.995 119.800 -0.089 0.000 2.316 81 Q HA 0.417 4.192 4.340 -0.942 0.000 0.264 81 Q C -0.676 175.279 176.000 -0.074 0.000 0.987 81 Q CA -0.721 55.040 55.803 -0.070 0.000 0.852 81 Q CB 2.436 31.138 28.738 -0.060 0.000 1.287 81 Q HN 0.322 nan 8.270 nan 0.000 0.448 82 R N 0.979 121.440 120.500 -0.064 0.000 2.537 82 R HA 0.104 3.879 4.340 -0.942 0.000 0.281 82 R C 0.651 176.917 176.300 -0.057 0.000 0.988 82 R CA 1.634 57.696 56.100 -0.064 0.000 1.077 82 R CB -0.184 30.083 30.300 -0.054 0.000 0.932 82 R HN 0.960 nan 8.270 nan 0.000 0.409 83 G N 3.036 111.800 108.800 -0.060 0.000 2.179 83 G HA2 -0.301 3.094 3.960 -0.942 0.000 0.260 83 G HA3 -0.301 3.094 3.960 -0.942 0.000 0.260 83 G C -0.184 174.684 174.900 -0.054 0.000 0.977 83 G CA 0.651 45.722 45.100 -0.049 0.000 0.641 83 G HN 0.577 nan 8.290 nan 0.000 0.533 84 K N 1.127 121.487 120.400 -0.067 0.000 2.389 84 K HA 0.765 4.519 4.320 -0.942 0.000 0.261 84 K C 0.438 176.984 176.600 -0.090 0.000 1.014 84 K CA 0.122 56.367 56.287 -0.069 0.000 0.920 84 K CB 0.732 33.193 32.500 -0.065 0.000 1.149 84 K HN 0.806 nan 8.250 nan 0.000 0.444 85 A N 3.298 126.066 122.820 -0.086 0.000 2.425 85 A HA 0.507 4.261 4.320 -0.942 0.000 0.249 85 A C -0.188 177.330 177.584 -0.110 0.000 1.084 85 A CA -0.072 51.901 52.037 -0.106 0.000 0.781 85 A CB 0.112 19.059 19.000 -0.089 0.000 1.019 85 A HN 0.801 nan 8.150 nan 0.000 0.490 86 V N -0.394 119.435 119.914 -0.143 0.000 3.040 86 V HA 0.870 4.425 4.120 -0.942 0.000 0.312 86 V C -0.216 175.790 176.094 -0.148 0.000 1.115 86 V CA -0.573 61.645 62.300 -0.136 0.000 0.998 86 V CB 1.682 33.414 31.823 -0.152 0.000 1.042 86 V HN 0.778 nan 8.190 nan 0.000 0.433 87 T N 2.117 116.602 114.554 -0.115 0.000 2.824 87 T HA 0.690 4.475 4.350 -0.942 0.000 0.280 87 T C -0.492 174.148 174.700 -0.100 0.000 0.995 87 T CA -0.359 61.676 62.100 -0.108 0.000 1.009 87 T CB 1.474 70.297 68.868 -0.074 0.000 0.955 87 T HN 0.782 nan 8.240 nan 0.000 0.452 88 V N 3.674 123.525 119.914 -0.104 0.000 2.384 88 V HA 0.352 3.907 4.120 -0.942 0.000 0.287 88 V C -0.439 175.628 176.094 -0.045 0.000 1.020 88 V CA -1.000 61.266 62.300 -0.057 0.000 0.850 88 V CB 1.609 33.416 31.823 -0.027 0.000 0.987 88 V HN 0.817 nan 8.190 nan 0.000 0.436 89 D N 5.286 125.665 120.400 -0.035 0.000 2.274 89 D HA 0.505 4.579 4.640 -0.942 0.000 0.239 89 D C -0.358 175.831 176.300 -0.185 0.000 1.104 89 D CA 0.061 53.975 54.000 -0.142 0.000 0.840 89 D CB 2.178 42.940 40.800 -0.062 0.000 1.100 89 D HN 0.366 nan 8.370 nan 0.000 0.477 90 I N 2.658 123.045 120.570 -0.305 0.000 2.362 90 I HA 0.205 3.810 4.170 -0.942 0.000 0.289 90 I C -0.788 175.145 176.117 -0.307 0.000 0.994 90 I CA -0.835 60.365 61.300 -0.166 0.000 1.158 90 I CB 0.819 38.770 38.000 -0.081 0.000 1.315 90 I HN 0.158 nan 8.210 nan 0.000 0.451 91 Y N 4.412 124.733 120.300 0.037 0.000 2.345 91 Y HA 0.298 4.282 4.550 -0.943 0.000 0.331 91 Y C 0.260 176.170 175.900 0.016 0.000 0.959 91 Y CA -0.881 57.232 58.100 0.021 0.000 1.204 91 Y CB 0.894 39.365 38.460 0.018 0.000 1.135 91 Y HN 0.471 nan 8.280 nan 0.000 0.477 92 N N 3.324 122.083 118.700 0.098 0.000 2.439 92 N HA 0.087 4.262 4.740 -0.942 0.000 0.243 92 N C -0.172 175.338 175.510 0.001 0.000 1.088 92 N CA 0.041 53.109 53.050 0.029 0.000 0.940 92 N CB 0.624 39.105 38.487 -0.010 0.000 1.180 92 N HN 0.691 nan 8.380 nan 0.000 0.505 93 Q N 2.698 122.480 119.800 -0.030 0.000 2.188 93 Q HA 0.249 4.023 4.340 -0.942 0.000 0.212 93 Q C -0.074 175.836 176.000 -0.150 0.000 0.846 93 Q CA -0.198 55.569 55.803 -0.059 0.000 0.989 93 Q CB 0.525 29.244 28.738 -0.032 0.000 1.114 93 Q HN 0.532 nan 8.270 nan 0.000 0.488 94 L N 0.458 121.539 121.223 -0.236 0.000 2.453 94 L HA 0.116 3.890 4.340 -0.942 0.000 0.261 94 L C 1.658 178.395 176.870 -0.222 0.000 1.179 94 L CA -0.019 54.599 54.840 -0.368 0.000 0.813 94 L CB 0.604 42.296 42.059 -0.611 0.000 1.110 94 L HN 0.165 nan 8.230 nan 0.000 0.466 95 T N -2.984 111.450 114.554 -0.199 0.000 3.113 95 T HA 0.021 3.805 4.350 -0.942 0.000 0.256 95 T C 0.331 174.980 174.700 -0.084 0.000 1.131 95 T CA 0.047 62.085 62.100 -0.103 0.000 1.074 95 T CB -0.354 68.479 68.868 -0.058 0.000 0.944 95 T HN 0.722 nan 8.240 nan 0.000 0.516 96 E N 1.160 121.283 120.200 -0.128 0.000 2.320 96 E HA 0.421 4.206 4.350 -0.942 0.000 0.264 96 E C -0.578 175.973 176.600 -0.081 0.000 0.923 96 E CA -1.264 55.093 56.400 -0.071 0.000 0.796 96 E CB 1.290 30.981 29.700 -0.015 0.000 1.262 96 E HN 0.516 nan 8.360 nan 0.000 0.428 97 E N 0.978 121.160 120.200 -0.029 0.000 2.392 97 E HA 0.336 4.120 4.350 -0.942 0.000 0.259 97 E C -0.520 176.080 176.600 0.001 0.000 1.108 97 E CA -0.490 55.901 56.400 -0.015 0.000 0.916 97 E CB 1.453 31.158 29.700 0.008 0.000 0.989 97 E HN 0.485 nan 8.360 nan 0.000 0.432 98 T N -0.281 114.281 114.554 0.014 0.000 2.711 98 T HA 0.439 4.223 4.350 -0.942 0.000 0.302 98 T C -1.357 173.377 174.700 0.058 0.000 1.373 98 T CA -0.034 62.095 62.100 0.048 0.000 1.000 98 T CB 1.586 70.481 68.868 0.044 0.000 1.483 98 T HN 0.811 nan 8.240 nan 0.000 0.499 99 T N -0.068 114.536 114.554 0.084 0.000 2.901 99 T HA 0.764 4.549 4.350 -0.942 0.000 0.293 99 T C -1.415 173.322 174.700 0.062 0.000 1.084 99 T CA -0.818 61.325 62.100 0.071 0.000 1.008 99 T CB 1.504 70.426 68.868 0.090 0.000 1.170 99 T HN 0.608 nan 8.240 nan 0.000 0.509 100 L N 2.258 123.469 121.223 -0.020 0.000 2.377 100 L HA 0.553 4.328 4.340 -0.942 0.000 0.270 100 L C -1.226 175.441 176.870 -0.339 0.000 0.991 100 L CA -0.755 53.972 54.840 -0.189 0.000 0.851 100 L CB 1.001 42.876 42.059 -0.306 0.000 1.218 100 L HN 1.006 nan 8.230 nan 0.000 0.420 101 H N 3.453 122.257 119.070 -0.443 0.000 2.458 101 H HA 0.398 4.380 4.556 -0.957 0.000 0.330 101 H C -1.632 173.328 175.328 -0.614 0.000 1.111 101 H CA -0.414 55.380 56.048 -0.424 0.000 1.245 101 H CB 0.977 30.602 29.762 -0.227 0.000 1.456 101 H HN 0.464 nan 8.280 nan 0.000 0.488 102 W N 5.332 126.155 121.300 -0.796 0.000 2.292 102 W HA 0.186 4.275 4.660 -0.952 0.000 0.352 102 W C -0.050 175.939 176.519 -0.883 0.000 0.962 102 W CA -0.813 56.162 57.345 -0.616 0.000 1.496 102 W CB -0.272 28.977 29.460 -0.352 0.000 1.381 102 W HN 0.681 nan 8.180 nan 0.000 0.363 103 H N 2.007 120.575 119.070 -0.837 0.000 3.026 103 H HA 0.341 4.645 4.556 -0.421 0.000 0.289 103 H C 1.422 176.693 175.328 -0.095 0.000 1.022 103 H CA 1.296 57.047 56.048 -0.496 0.000 1.477 103 H CB 0.331 29.699 29.762 -0.656 0.000 1.510 103 H HN 0.808 nan 8.280 nan 0.000 0.535 104 G N 4.245 113.152 108.800 0.179 0.000 2.195 104 G HA2 -0.232 3.163 3.960 -0.942 0.000 0.224 104 G HA3 -0.232 3.163 3.960 -0.942 0.000 0.224 104 G C 0.029 174.961 174.900 0.054 0.000 0.990 104 G CA -0.028 45.194 45.100 0.203 0.000 0.639 104 G HN 0.595 nan 8.290 nan 0.000 0.514 105 L N 1.271 122.497 121.223 0.006 0.000 2.331 105 L HA 0.388 4.163 4.340 -0.942 0.000 0.278 105 L C 0.354 177.180 176.870 -0.073 0.000 1.106 105 L CA -0.255 54.553 54.840 -0.052 0.000 0.824 105 L CB 0.988 42.996 42.059 -0.084 0.000 1.142 105 L HN 0.212 nan 8.230 nan 0.000 0.443 106 E N 3.561 123.704 120.200 -0.096 0.000 1.861 106 E HA 0.274 4.059 4.350 -0.942 0.000 0.263 106 E C -0.667 175.742 176.600 -0.317 0.000 1.137 106 E CA -0.253 56.104 56.400 -0.072 0.000 0.944 106 E CB 0.729 30.448 29.700 0.032 0.000 1.092 106 E HN 0.401 nan 8.360 nan 0.000 0.420 107 V N 0.113 119.864 119.914 -0.271 0.000 3.040 107 V HA 0.624 4.178 4.120 -0.942 0.000 0.312 107 V C -2.751 173.300 176.094 -0.072 0.000 1.115 107 V CA -3.322 58.752 62.300 -0.376 0.000 0.998 107 V CB 1.715 33.406 31.823 -0.220 0.000 1.042 107 V HN 0.216 nan 8.190 nan 0.000 0.433 108 P HA 0.193 nan 4.420 nan 0.000 0.268 108 P C 1.169 178.495 177.300 0.043 0.000 1.208 108 P CA 0.734 63.891 63.100 0.096 0.000 0.777 108 P CB 0.702 32.419 31.700 0.029 0.000 0.875 109 G N 1.571 110.243 108.800 -0.214 0.000 2.475 109 G HA2 -0.313 3.081 3.960 -0.942 0.000 0.220 109 G HA3 -0.313 3.081 3.960 -0.942 0.000 0.220 109 G C 1.367 176.193 174.900 -0.124 0.000 1.125 109 G CA 0.676 45.568 45.100 -0.348 0.000 0.755 109 G HN 0.610 nan 8.290 nan 0.000 0.565 110 E N -0.029 120.073 120.200 -0.164 0.000 2.118 110 E HA -0.123 3.661 4.350 -0.942 0.000 0.195 110 E C 2.275 178.740 176.600 -0.225 0.000 0.992 110 E CA 1.478 57.667 56.400 -0.352 0.000 0.804 110 E CB -0.036 29.476 29.700 -0.313 0.000 0.741 110 E HN 0.457 nan 8.360 nan 0.000 0.458 111 V N -2.263 117.600 119.914 -0.086 0.000 3.319 111 V HA 0.175 3.729 4.120 -0.942 0.000 0.317 111 V C 1.083 177.257 176.094 0.133 0.000 1.411 111 V CA 0.528 62.826 62.300 -0.004 0.000 1.112 111 V CB 0.550 32.342 31.823 -0.052 0.000 1.031 111 V HN 0.020 nan 8.190 nan 0.000 0.448 112 D N 2.360 122.848 120.400 0.147 0.000 2.224 112 D HA 0.100 4.175 4.640 -0.942 0.000 0.205 112 D C 1.840 178.327 176.300 0.311 0.000 0.965 112 D CA 1.699 55.870 54.000 0.285 0.000 0.852 112 D CB -0.200 40.807 40.800 0.344 0.000 0.947 112 D HN 0.790 nan 8.370 nan 0.000 0.494 113 G N -0.616 108.284 108.800 0.166 0.000 2.221 113 G HA2 -0.186 3.209 3.960 -0.942 0.000 0.265 113 G HA3 -0.186 3.209 3.960 -0.942 0.000 0.265 113 G C 0.684 175.627 174.900 0.071 0.000 1.041 113 G CA 0.408 45.571 45.100 0.106 0.000 0.807 113 G HN 0.654 nan 8.290 nan 0.000 0.502 114 G N 0.049 108.837 108.800 -0.020 0.000 2.525 114 G HA2 0.566 3.961 3.960 -0.942 0.000 0.276 114 G HA3 0.566 3.961 3.960 -0.942 0.000 0.276 114 G C -0.132 174.721 174.900 -0.078 0.000 1.388 114 G CA 0.023 44.983 45.100 -0.235 0.000 1.050 114 G HN 0.165 nan 8.290 nan 0.000 0.520 115 P HA -0.086 nan 4.420 nan 0.000 0.225 115 P C 1.109 178.434 177.300 0.042 0.000 1.148 115 P CA 1.163 64.291 63.100 0.046 0.000 0.779 115 P CB 0.207 31.952 31.700 0.076 0.000 0.780 116 Q N -0.594 119.208 119.800 0.003 0.000 2.432 116 Q HA 0.109 3.883 4.340 -0.942 0.000 0.205 116 Q C 1.612 177.635 176.000 0.038 0.000 0.945 116 Q CA 0.494 56.293 55.803 -0.007 0.000 0.924 116 Q CB -0.225 28.472 28.738 -0.068 0.000 1.016 116 Q HN 0.205 nan 8.270 nan 0.000 0.503 117 G N 1.154 109.987 108.800 0.055 0.000 3.541 117 G HA2 0.192 3.587 3.960 -0.942 0.000 0.253 117 G HA3 0.192 3.587 3.960 -0.942 0.000 0.253 117 G C 0.009 174.936 174.900 0.045 0.000 1.017 117 G CA -0.404 44.733 45.100 0.062 0.000 1.832 117 G HN 0.062 nan 8.290 nan 0.000 0.649 118 I N 1.501 122.094 120.570 0.040 0.000 2.668 118 I HA 0.060 3.664 4.170 -0.942 0.000 0.285 118 I C 0.555 176.684 176.117 0.020 0.000 1.168 118 I CA -0.272 61.048 61.300 0.033 0.000 1.424 118 I CB 0.511 38.528 38.000 0.027 0.000 1.377 118 I HN 0.173 nan 8.210 nan 0.000 0.560 119 I N 8.823 129.403 120.570 0.016 0.000 2.328 119 I HA 0.258 3.863 4.170 -0.942 0.000 0.287 119 I C -2.035 174.080 176.117 -0.003 0.000 1.012 119 I CA -1.840 59.461 61.300 0.001 0.000 1.195 119 I CB 1.504 39.503 38.000 -0.002 0.000 1.350 119 I HN 0.314 nan 8.210 nan 0.000 0.464 120 P HA 0.227 nan 4.420 nan 0.000 0.274 120 P C -2.646 174.643 177.300 -0.018 0.000 1.246 120 P CA -1.803 61.292 63.100 -0.008 0.000 0.795 120 P CB -0.364 31.332 31.700 -0.006 0.000 1.006 121 P HA 0.048 nan 4.420 nan 0.000 0.264 121 P C 1.066 178.352 177.300 -0.023 0.000 1.193 121 P CA 1.306 64.382 63.100 -0.039 0.000 0.763 121 P CB -0.327 31.348 31.700 -0.042 0.000 0.810 122 G N 2.033 110.821 108.800 -0.019 0.000 2.184 122 G HA2 -0.190 3.205 3.960 -0.942 0.000 0.264 122 G HA3 -0.190 3.205 3.960 -0.942 0.000 0.264 122 G C 0.633 175.549 174.900 0.027 0.000 0.975 122 G CA -0.054 45.050 45.100 0.007 0.000 0.642 122 G HN 0.888 nan 8.290 nan 0.000 0.536 123 G N -0.532 108.274 108.800 0.010 0.000 2.572 123 G HA2 0.523 3.918 3.960 -0.942 0.000 0.261 123 G HA3 0.523 3.918 3.960 -0.942 0.000 0.261 123 G C -0.185 174.709 174.900 -0.010 0.000 1.197 123 G CA 0.280 45.381 45.100 0.002 0.000 0.870 123 G HN 0.550 nan 8.290 nan 0.000 0.548 124 K N 0.239 120.606 120.400 -0.055 0.000 2.378 124 K HA 0.505 4.259 4.320 -0.942 0.000 0.252 124 K C -0.826 175.675 176.600 -0.165 0.000 0.931 124 K CA -0.864 55.313 56.287 -0.184 0.000 0.794 124 K CB 1.261 33.625 32.500 -0.227 0.000 1.181 124 K HN 0.396 nan 8.250 nan 0.000 0.425 125 R N 1.664 122.042 120.500 -0.203 0.000 2.621 125 R HA 0.347 4.121 4.340 -0.942 0.000 0.284 125 R C -1.234 174.971 176.300 -0.158 0.000 0.998 125 R CA -0.858 55.160 56.100 -0.136 0.000 0.895 125 R CB 2.153 32.405 30.300 -0.080 0.000 1.195 125 R HN 0.608 nan 8.270 nan 0.000 0.450 126 S N 1.403 117.030 115.700 -0.122 0.000 2.449 126 S HA 0.542 4.447 4.470 -0.942 0.000 0.310 126 S C -0.036 174.519 174.600 -0.076 0.000 1.096 126 S CA -0.798 57.339 58.200 -0.106 0.000 1.095 126 S CB 1.662 64.804 63.200 -0.098 0.000 1.007 126 S HN 0.417 nan 8.310 nan 0.000 0.474 127 V N 0.808 120.683 119.914 -0.065 0.000 2.680 127 V HA 0.743 4.297 4.120 -0.942 0.000 0.309 127 V C -0.277 175.745 176.094 -0.121 0.000 1.052 127 V CA -0.704 61.553 62.300 -0.072 0.000 0.908 127 V CB 1.624 33.438 31.823 -0.017 0.000 1.001 127 V HN 0.665 nan 8.190 nan 0.000 0.431 128 T N 6.075 120.549 114.554 -0.132 0.000 2.743 128 T HA 0.595 4.379 4.350 -0.942 0.000 0.293 128 T C -0.176 174.390 174.700 -0.223 0.000 0.945 128 T CA -0.129 61.877 62.100 -0.157 0.000 1.030 128 T CB 0.553 69.352 68.868 -0.116 0.000 0.912 128 T HN 0.617 nan 8.240 nan 0.000 0.483 129 L N 4.174 125.220 121.223 -0.295 0.000 2.262 129 L HA 0.445 4.220 4.340 -0.942 0.000 0.288 129 L C 0.388 177.098 176.870 -0.265 0.000 1.035 129 L CA -0.814 53.803 54.840 -0.372 0.000 0.820 129 L CB 0.669 42.382 42.059 -0.577 0.000 1.204 129 L HN 0.515 nan 8.230 nan 0.000 0.424 130 N N 3.205 121.771 118.700 -0.223 0.000 2.955 130 N HA 0.201 4.376 4.740 -0.942 0.000 0.242 130 N C -0.756 174.659 175.510 -0.158 0.000 1.123 130 N CA -0.376 52.579 53.050 -0.158 0.000 0.949 130 N CB 0.881 39.304 38.487 -0.106 0.000 1.214 130 N HN 0.245 nan 8.380 nan 0.000 0.504 131 V N 2.262 122.076 119.914 -0.167 0.000 2.485 131 V HA 0.065 3.619 4.120 -0.942 0.000 0.287 131 V C 0.377 176.414 176.094 -0.095 0.000 1.022 131 V CA 0.219 62.428 62.300 -0.152 0.000 1.067 131 V CB 0.756 32.487 31.823 -0.154 0.000 0.967 131 V HN 0.574 nan 8.190 nan 0.000 0.479 132 D N 4.355 124.713 120.400 -0.070 0.000 2.772 132 D HA 0.316 4.391 4.640 -0.942 0.000 0.326 132 D C -0.205 176.061 176.300 -0.056 0.000 1.207 132 D CA -0.304 53.676 54.000 -0.034 0.000 0.777 132 D CB 0.389 41.207 40.800 0.030 0.000 1.169 132 D HN 0.779 nan 8.370 nan 0.000 0.506 133 Q N -0.722 119.021 119.800 -0.096 0.000 2.630 133 Q HA 0.618 4.393 4.340 -0.942 0.000 0.295 133 Q C -3.054 172.863 176.000 -0.138 0.000 0.944 133 Q CA -1.982 53.730 55.803 -0.151 0.000 0.766 133 Q CB 1.660 30.294 28.738 -0.173 0.000 1.471 133 Q HN -0.139 nan 8.270 nan 0.000 0.416 134 P HA 0.160 nan 4.420 nan 0.000 0.273 134 P C -0.780 176.479 177.300 -0.068 0.000 1.250 134 P CA -0.111 62.926 63.100 -0.105 0.000 0.793 134 P CB 0.243 31.876 31.700 -0.111 0.000 1.011 135 A N 0.674 123.478 122.820 -0.026 0.000 2.540 135 A HA 0.443 4.197 4.320 -0.942 0.000 0.239 135 A C 0.317 177.908 177.584 0.011 0.000 1.061 135 A CA 1.082 53.116 52.037 -0.005 0.000 0.758 135 A CB -1.145 17.863 19.000 0.013 0.000 0.991 135 A HN 0.680 nan 8.150 nan 0.000 0.502 136 A N 1.701 124.532 122.820 0.019 0.000 2.586 136 A HA 0.690 4.444 4.320 -0.942 0.000 0.291 136 A C -0.367 177.251 177.584 0.057 0.000 1.062 136 A CA -0.367 51.692 52.037 0.036 0.000 0.666 136 A CB 0.522 19.533 19.000 0.019 0.000 1.281 136 A HN 0.975 nan 8.150 nan 0.000 0.421 137 T N 1.283 115.878 114.554 0.069 0.000 2.781 137 T HA 0.503 4.287 4.350 -0.942 0.000 0.305 137 T C -0.117 174.651 174.700 0.114 0.000 1.001 137 T CA -0.106 62.053 62.100 0.098 0.000 0.950 137 T CB -0.305 68.619 68.868 0.093 0.000 0.955 137 T HN 0.717 nan 8.240 nan 0.000 0.471 138 C N 3.535 122.936 119.300 0.168 0.000 2.548 138 C HA 0.857 4.752 4.460 -0.942 0.000 0.412 138 C C -0.332 174.898 174.990 0.398 0.000 1.588 138 C CA -0.682 58.491 59.018 0.259 0.000 1.861 138 C CB 0.995 28.860 27.740 0.208 0.000 1.983 138 C HN 0.980 nan 8.230 nan 0.000 0.497 139 W N 0.089 121.454 121.300 0.110 0.000 2.988 139 W HA 0.701 4.943 4.660 -0.696 0.000 0.355 139 W C -2.065 174.572 176.519 0.197 0.000 1.233 139 W CA -1.732 55.679 57.345 0.111 0.000 1.176 139 W CB 0.402 29.848 29.460 -0.024 0.000 1.477 139 W HN 0.721 nan 8.180 nan 0.000 0.582 140 F N 0.548 120.479 119.950 -0.033 0.000 2.599 140 F HA 0.819 4.785 4.527 -0.935 0.000 0.311 140 F C -0.944 174.671 175.800 -0.309 0.000 1.076 140 F CA -1.135 56.576 58.000 -0.480 0.000 0.937 140 F CB 1.690 40.225 39.000 -0.775 0.000 1.282 140 F HN 0.694 nan 8.300 nan 0.000 0.460 141 H N -1.117 117.820 119.070 -0.222 0.000 2.950 141 H HA 0.651 4.617 4.556 -0.983 0.000 0.307 141 H C -3.543 171.814 175.328 0.048 0.000 1.403 141 H CA -2.247 53.764 56.048 -0.062 0.000 1.145 141 H CB 0.992 30.597 29.762 -0.262 0.000 1.844 141 H HN 0.437 nan 8.280 nan 0.000 0.515 142 P HA 0.111 nan 4.420 nan 0.000 0.272 142 P C -0.327 177.102 177.300 0.216 0.000 1.223 142 P CA 0.238 63.472 63.100 0.224 0.000 0.784 142 P CB 0.724 32.537 31.700 0.187 0.000 0.923 143 H N 0.328 119.455 119.070 0.094 0.000 2.767 143 H HA 0.146 4.134 4.556 -0.946 0.000 0.235 143 H C -0.079 175.260 175.328 0.020 0.000 1.256 143 H CA -0.367 55.705 56.048 0.040 0.000 0.957 143 H CB 0.334 30.085 29.762 -0.018 0.000 2.117 143 H HN 0.363 nan 8.280 nan 0.000 0.602 144 Q N 1.379 121.259 119.800 0.134 0.000 2.289 144 Q HA -0.026 3.749 4.340 -0.942 0.000 0.273 144 Q C -0.104 175.978 176.000 0.136 0.000 1.029 144 Q CA 0.090 55.966 55.803 0.121 0.000 0.896 144 Q CB -0.002 28.786 28.738 0.082 0.000 1.182 144 Q HN 0.482 nan 8.270 nan 0.000 0.385 145 H N 3.831 122.943 119.070 0.070 0.000 3.107 145 H HA 0.106 4.096 4.556 -0.945 0.000 0.301 145 H C 0.950 176.317 175.328 0.066 0.000 0.981 145 H CA 1.019 57.119 56.048 0.086 0.000 1.443 145 H CB 0.186 30.043 29.762 0.157 0.000 1.479 145 H HN 1.037 nan 8.280 nan 0.000 0.564 146 G N 4.626 113.320 108.800 -0.178 0.000 2.212 146 G HA2 -0.310 3.085 3.960 -0.942 0.000 0.266 146 G HA3 -0.310 3.085 3.960 -0.942 0.000 0.266 146 G C 0.725 175.571 174.900 -0.090 0.000 0.978 146 G CA 0.659 45.635 45.100 -0.207 0.000 0.632 146 G HN 0.672 nan 8.290 nan 0.000 0.537 147 K N -0.335 120.025 120.400 -0.066 0.000 2.536 147 K HA 0.244 3.999 4.320 -0.942 0.000 0.203 147 K C 1.719 178.244 176.600 -0.125 0.000 1.063 147 K CA 0.477 56.712 56.287 -0.085 0.000 1.063 147 K CB 0.533 33.007 32.500 -0.044 0.000 0.843 147 K HN 0.191 nan 8.250 nan 0.000 0.521 148 T N 0.725 115.211 114.554 -0.115 0.000 2.708 148 T HA -0.125 3.659 4.350 -0.942 0.000 0.266 148 T C 1.995 176.564 174.700 -0.218 0.000 1.037 148 T CA 1.882 63.890 62.100 -0.152 0.000 1.146 148 T CB -0.261 68.467 68.868 -0.233 0.000 0.865 148 T HN 0.497 nan 8.240 nan 0.000 0.435 149 G N 1.394 110.067 108.800 -0.213 0.000 2.446 149 G HA2 -0.300 3.095 3.960 -0.942 0.000 0.217 149 G HA3 -0.300 3.095 3.960 -0.942 0.000 0.217 149 G C 1.569 176.002 174.900 -0.779 0.000 1.168 149 G CA 1.111 46.053 45.100 -0.265 0.000 0.771 149 G HN 0.451 nan 8.290 nan 0.000 0.551 150 R N 0.095 119.966 120.500 -1.048 0.000 2.081 150 R HA -0.062 3.713 4.340 -0.942 0.000 0.235 150 R C 2.702 178.457 176.300 -0.910 0.000 1.131 150 R CA 1.759 56.966 56.100 -1.489 0.000 0.960 150 R CB -0.295 29.442 30.300 -0.938 0.000 0.856 150 R HN 0.452 nan 8.270 nan 0.000 0.436 151 Q N -0.354 119.148 119.800 -0.497 0.000 2.123 151 Q HA -0.091 3.684 4.340 -0.942 0.000 0.199 151 Q C 2.185 178.038 176.000 -0.244 0.000 0.966 151 Q CA 1.500 57.143 55.803 -0.267 0.000 0.845 151 Q CB 0.173 28.951 28.738 0.065 0.000 0.907 151 Q HN 0.235 nan 8.270 nan 0.000 0.439 152 V N 1.183 120.960 119.914 -0.230 0.000 2.295 152 V HA -0.269 3.285 4.120 -0.942 0.000 0.246 152 V C 2.350 178.308 176.094 -0.227 0.000 1.049 152 V CA 1.841 64.063 62.300 -0.130 0.000 1.024 152 V CB -1.005 30.779 31.823 -0.065 0.000 0.648 152 V HN 0.367 nan 8.190 nan 0.000 0.447 153 A N -0.421 122.114 122.820 -0.475 0.000 1.940 153 A HA -0.233 3.522 4.320 -0.942 0.000 0.219 153 A C 2.170 179.450 177.584 -0.507 0.000 1.176 153 A CA 2.001 53.671 52.037 -0.613 0.000 0.631 153 A CB -0.489 17.659 19.000 -1.421 0.000 0.814 153 A HN 0.417 nan 8.150 nan 0.000 0.446 154 M N -1.780 117.424 119.600 -0.661 0.000 2.446 154 M HA 0.007 3.922 4.480 -0.942 0.000 0.263 154 M C 1.640 177.721 176.300 -0.365 0.000 1.066 154 M CA 1.405 56.262 55.300 -0.738 0.000 1.087 154 M CB -0.919 30.703 32.600 -1.629 0.000 1.406 154 M HN 0.769 nan 8.290 nan 0.000 0.459 155 G N -0.524 108.172 108.800 -0.173 0.000 2.613 155 G HA2 -0.095 3.300 3.960 -0.942 0.000 0.199 155 G HA3 -0.095 3.300 3.960 -0.942 0.000 0.199 155 G C 0.040 174.968 174.900 0.047 0.000 0.991 155 G CA -0.626 44.480 45.100 0.010 0.000 0.756 155 G HN 0.325 nan 8.290 nan 0.000 0.515 156 L N 1.713 122.948 121.223 0.021 0.000 2.385 156 L HA 0.599 4.374 4.340 -0.942 0.000 0.281 156 L C 0.536 177.531 176.870 0.208 0.000 1.106 156 L CA 0.528 55.352 54.840 -0.027 0.000 0.856 156 L CB 0.911 42.922 42.059 -0.080 0.000 1.186 156 L HN 0.510 nan 8.230 nan 0.000 0.453 157 A N 2.969 125.972 122.820 0.305 0.000 2.582 157 A HA 0.790 4.545 4.320 -0.942 0.000 0.297 157 A C -0.608 176.989 177.584 0.022 0.000 1.059 157 A CA -0.031 52.179 52.037 0.288 0.000 0.705 157 A CB 1.423 20.632 19.000 0.348 0.000 1.279 157 A HN 0.688 nan 8.150 nan 0.000 0.404 158 G N -0.189 108.265 108.800 -0.577 0.000 2.725 158 G HA2 0.680 4.074 3.960 -0.942 0.000 0.288 158 G HA3 0.680 4.074 3.960 -0.942 0.000 0.288 158 G C -1.326 173.286 174.900 -0.479 0.000 1.399 158 G CA -0.712 43.844 45.100 -0.906 0.000 0.859 158 G HN 0.803 nan 8.290 nan 0.000 0.479 159 L N -0.528 120.694 121.223 -0.002 0.000 2.322 159 L HA 0.746 4.521 4.340 -0.942 0.000 0.269 159 L C -0.606 176.526 176.870 0.438 0.000 1.012 159 L CA -1.225 53.773 54.840 0.263 0.000 0.815 159 L CB 2.355 44.565 42.059 0.252 0.000 1.295 159 L HN 0.215 nan 8.230 nan 0.000 0.438 160 V N 2.043 122.179 119.914 0.370 0.000 2.443 160 V HA 0.321 3.875 4.120 -0.942 0.000 0.293 160 V C -0.369 175.819 176.094 0.156 0.000 1.021 160 V CA -0.606 61.862 62.300 0.280 0.000 0.848 160 V CB 2.039 34.041 31.823 0.299 0.000 0.998 160 V HN 0.380 nan 8.190 nan 0.000 0.424 161 V N 6.730 126.685 119.914 0.068 0.000 2.318 161 V HA 0.440 3.995 4.120 -0.942 0.000 0.271 161 V C 0.064 176.151 176.094 -0.012 0.000 1.030 161 V CA -0.221 62.094 62.300 0.025 0.000 0.844 161 V CB 1.185 32.970 31.823 -0.063 0.000 1.015 161 V HN 0.667 nan 8.190 nan 0.000 0.460 162 I N 5.009 125.581 120.570 0.002 0.000 2.342 162 I HA 0.421 4.026 4.170 -0.942 0.000 0.291 162 I C 0.391 176.497 176.117 -0.018 0.000 1.010 162 I CA -0.171 61.113 61.300 -0.026 0.000 1.308 162 I CB 1.010 38.991 38.000 -0.033 0.000 1.400 162 I HN 0.575 nan 8.210 nan 0.000 0.488 163 E N 4.800 124.982 120.200 -0.031 0.000 2.263 163 E HA 0.483 4.268 4.350 -0.942 0.000 0.264 163 E C -1.488 175.098 176.600 -0.025 0.000 0.923 163 E CA -0.820 55.569 56.400 -0.019 0.000 0.802 163 E CB 2.261 31.950 29.700 -0.019 0.000 1.228 163 E HN 0.623 nan 8.360 nan 0.000 0.417 164 D N -0.562 119.829 120.400 -0.014 0.000 2.652 164 D HA 0.156 4.231 4.640 -0.942 0.000 0.285 164 D C -0.043 176.253 176.300 -0.007 0.000 1.173 164 D CA -0.545 53.446 54.000 -0.016 0.000 0.981 164 D CB 0.353 41.143 40.800 -0.018 0.000 1.440 164 D HN 0.097 nan 8.370 nan 0.000 0.485 165 D N -0.339 120.056 120.400 -0.007 0.000 2.144 165 D HA -0.154 3.921 4.640 -0.942 0.000 0.199 165 D C 1.453 177.755 176.300 0.004 0.000 0.984 165 D CA 1.314 55.313 54.000 -0.002 0.000 0.834 165 D CB 0.069 40.867 40.800 -0.003 0.000 0.955 165 D HN 0.684 nan 8.370 nan 0.000 0.465 166 E N 0.327 120.531 120.200 0.007 0.000 2.031 166 E HA -0.152 3.633 4.350 -0.942 0.000 0.193 166 E C 2.282 178.890 176.600 0.015 0.000 0.994 166 E CA 0.579 56.987 56.400 0.013 0.000 0.800 166 E CB -0.189 29.523 29.700 0.020 0.000 0.752 166 E HN 0.233 nan 8.360 nan 0.000 0.447 167 I N 0.654 121.234 120.570 0.017 0.000 2.315 167 I HA -0.237 3.368 4.170 -0.942 0.000 0.248 167 I C 2.025 178.152 176.117 0.017 0.000 1.117 167 I CA 0.824 62.136 61.300 0.020 0.000 1.404 167 I CB 0.106 38.122 38.000 0.026 0.000 1.071 167 I HN 0.222 nan 8.210 nan 0.000 0.419 168 L N 0.250 121.481 121.223 0.014 0.000 2.362 168 L HA -0.154 3.620 4.340 -0.942 0.000 0.219 168 L C 2.191 179.067 176.870 0.011 0.000 1.134 168 L CA 0.902 55.750 54.840 0.014 0.000 0.807 168 L CB -0.475 41.589 42.059 0.009 0.000 0.927 168 L HN 0.151 nan 8.230 nan 0.000 0.447 169 K N 0.062 120.467 120.400 0.009 0.000 2.366 169 K HA -0.021 3.733 4.320 -0.942 0.000 0.198 169 K C 1.859 178.461 176.600 0.003 0.000 1.044 169 K CA 0.680 56.971 56.287 0.006 0.000 0.973 169 K CB 0.097 32.601 32.500 0.006 0.000 0.767 169 K HN 0.304 nan 8.250 nan 0.000 0.475 170 L N 0.371 121.595 121.223 0.002 0.000 2.478 170 L HA 0.039 3.813 4.340 -0.942 0.000 0.223 170 L C 0.164 177.024 176.870 -0.017 0.000 1.140 170 L CA 0.107 54.941 54.840 -0.009 0.000 0.842 170 L CB -0.144 41.909 42.059 -0.009 0.000 0.953 170 L HN 0.284 nan 8.230 nan 0.000 0.452 171 M N -0.871 118.726 119.600 -0.004 0.000 2.732 171 M HA -0.193 3.722 4.480 -0.942 0.000 0.207 171 M C -0.120 176.172 176.300 -0.013 0.000 0.513 171 M CA 0.852 56.150 55.300 -0.003 0.000 0.652 171 M CB -2.711 29.883 32.600 -0.010 0.000 2.410 171 M HN 0.089 nan 8.290 nan 0.000 0.660 172 L N 0.733 121.951 121.223 -0.008 0.000 2.464 172 L HA 0.305 4.080 4.340 -0.942 0.000 0.264 172 L C -1.371 175.520 176.870 0.034 0.000 1.199 172 L CA -1.612 53.224 54.840 -0.008 0.000 0.818 172 L CB 0.066 42.128 42.059 0.005 0.000 1.102 172 L HN -0.047 nan 8.230 nan 0.000 0.473 173 P HA -0.001 nan 4.420 nan 0.000 0.264 173 P C -0.704 176.652 177.300 0.094 0.000 1.193 173 P CA 0.227 63.382 63.100 0.092 0.000 0.763 173 P CB 0.228 32.000 31.700 0.121 0.000 0.810 174 K N 1.189 121.651 120.400 0.104 0.000 2.684 174 K HA 0.159 3.913 4.320 -0.942 0.000 0.189 174 K C -0.344 176.350 176.600 0.156 0.000 1.154 174 K CA -0.374 55.990 56.287 0.129 0.000 1.109 174 K CB 0.237 32.797 32.500 0.100 0.000 0.826 174 K HN 0.269 nan 8.250 nan 0.000 0.501 175 Q N 2.019 121.904 119.800 0.141 0.000 2.441 175 Q HA 0.109 3.883 4.340 -0.942 0.000 0.234 175 Q C -1.080 175.034 176.000 0.190 0.000 1.078 175 Q CA -0.694 55.201 55.803 0.154 0.000 0.907 175 Q CB 0.512 29.317 28.738 0.111 0.000 1.269 175 Q HN 0.284 nan 8.270 nan 0.000 0.502 176 W N 2.878 124.205 121.300 0.046 0.000 2.385 176 W HA 0.018 4.104 4.660 -0.957 0.000 0.336 176 W C 0.790 177.341 176.519 0.054 0.000 1.351 176 W CA 2.031 59.402 57.345 0.043 0.000 1.295 176 W CB 0.371 29.855 29.460 0.040 0.000 1.239 176 W HN 0.974 nan 8.180 nan 0.000 0.565 177 G N 4.244 112.746 108.800 -0.498 0.000 2.179 177 G HA2 -0.340 3.055 3.960 -0.942 0.000 0.260 177 G HA3 -0.340 3.055 3.960 -0.942 0.000 0.260 177 G C 0.438 175.354 174.900 0.026 0.000 0.977 177 G CA 0.567 45.484 45.100 -0.304 0.000 0.641 177 G HN 0.588 nan 8.290 nan 0.000 0.533 178 I N -0.297 120.303 120.570 0.051 0.000 3.809 178 I HA 0.214 3.819 4.170 -0.942 0.000 0.245 178 I C 1.723 177.956 176.117 0.193 0.000 1.119 178 I CA 0.815 62.202 61.300 0.145 0.000 1.597 178 I CB 0.070 38.123 38.000 0.087 0.000 1.605 178 I HN 0.111 nan 8.210 nan 0.000 0.441 179 D N -1.339 119.122 120.400 0.102 0.000 2.469 179 D HA 0.053 4.127 4.640 -0.942 0.000 0.213 179 D C -0.036 176.291 176.300 0.046 0.000 1.135 179 D CA 0.094 54.152 54.000 0.096 0.000 0.834 179 D CB 0.136 41.002 40.800 0.111 0.000 1.009 179 D HN 0.042 nan 8.370 nan 0.000 0.507 180 D N 0.674 121.069 120.400 -0.009 0.000 2.440 180 D HA 0.326 4.401 4.640 -0.942 0.000 0.252 180 D C -1.379 174.731 176.300 -0.317 0.000 1.180 180 D CA -0.707 53.265 54.000 -0.047 0.000 0.894 180 D CB 1.508 42.373 40.800 0.108 0.000 1.111 180 D HN -0.181 nan 8.370 nan 0.000 0.544 181 V N 6.033 125.719 119.914 -0.379 0.000 2.483 181 V HA 0.506 4.061 4.120 -0.942 0.000 0.297 181 V C -2.195 173.605 176.094 -0.491 0.000 1.027 181 V CA -1.596 60.348 62.300 -0.593 0.000 0.855 181 V CB 2.048 33.510 31.823 -0.601 0.000 0.995 181 V HN 0.452 nan 8.190 nan 0.000 0.424 182 P HA 0.307 nan 4.420 nan 0.000 0.280 182 P C -0.875 176.291 177.300 -0.224 0.000 1.244 182 P CA -0.219 62.715 63.100 -0.277 0.000 0.784 182 P CB 1.712 33.333 31.700 -0.133 0.000 0.913 183 V N 5.359 125.172 119.914 -0.169 0.000 2.327 183 V HA 0.289 3.844 4.120 -0.942 0.000 0.272 183 V C 0.369 176.397 176.094 -0.110 0.000 1.019 183 V CA -0.365 61.845 62.300 -0.151 0.000 0.814 183 V CB 0.740 32.440 31.823 -0.205 0.000 1.040 183 V HN 0.417 nan 8.190 nan 0.000 0.440 184 I N 4.783 125.314 120.570 -0.064 0.000 2.291 184 I HA 0.325 3.930 4.170 -0.942 0.000 0.292 184 I C -0.223 175.891 176.117 -0.006 0.000 1.064 184 I CA -0.405 60.859 61.300 -0.061 0.000 1.269 184 I CB 1.331 39.305 38.000 -0.042 0.000 1.418 184 I HN 0.253 nan 8.210 nan 0.000 0.485 185 V N 6.955 126.880 119.914 0.019 0.000 2.394 185 V HA 0.399 3.954 4.120 -0.942 0.000 0.282 185 V C -0.113 175.999 176.094 0.030 0.000 1.031 185 V CA -0.432 61.921 62.300 0.088 0.000 0.881 185 V CB 1.261 33.231 31.823 0.246 0.000 0.982 185 V HN 0.712 nan 8.190 nan 0.000 0.451 186 Q N 2.827 122.647 119.800 0.034 0.000 2.309 186 Q HA 0.382 4.157 4.340 -0.942 0.000 0.273 186 Q C -1.547 174.448 176.000 -0.007 0.000 1.040 186 Q CA -0.885 54.922 55.803 0.006 0.000 0.834 186 Q CB 2.859 31.617 28.738 0.034 0.000 1.345 186 Q HN 0.888 nan 8.270 nan 0.000 0.414 187 D N 1.519 121.871 120.400 -0.079 0.000 2.294 187 D HA 0.438 4.512 4.640 -0.942 0.000 0.250 187 D C -0.606 175.568 176.300 -0.209 0.000 1.058 187 D CA -0.380 53.541 54.000 -0.132 0.000 0.950 187 D CB 1.557 42.204 40.800 -0.255 0.000 1.158 187 D HN 0.252 nan 8.370 nan 0.000 0.453 188 K N 0.113 120.326 120.400 -0.313 0.000 2.477 188 K HA 0.321 4.076 4.320 -0.942 0.000 0.255 188 K C -0.616 175.546 176.600 -0.730 0.000 0.952 188 K CA -1.025 54.908 56.287 -0.589 0.000 0.826 188 K CB 2.672 34.771 32.500 -0.668 0.000 1.331 188 K HN 0.241 nan 8.250 nan 0.000 0.437 189 K N 2.767 122.632 120.400 -0.892 0.000 2.265 189 K HA 0.346 4.101 4.320 -0.942 0.000 0.267 189 K C -1.383 174.982 176.600 -0.393 0.000 0.994 189 K CA -0.323 55.632 56.287 -0.554 0.000 0.860 189 K CB 0.397 32.518 32.500 -0.631 0.000 1.099 189 K HN 0.422 nan 8.250 nan 0.000 0.448 190 F N 1.372 121.293 119.950 -0.048 0.000 2.469 190 F HA 0.242 4.205 4.527 -0.941 0.000 0.332 190 F C 1.048 176.850 175.800 0.004 0.000 1.103 190 F CA -0.588 57.412 58.000 -0.000 0.000 0.979 190 F CB 1.656 40.646 39.000 -0.018 0.000 1.137 190 F HN 0.409 nan 8.300 nan 0.000 0.463 191 S N 1.190 117.012 115.700 0.204 0.000 2.624 191 S HA 0.444 4.348 4.470 -0.942 0.000 0.263 191 S C 1.090 175.764 174.600 0.122 0.000 1.287 191 S CA -0.342 57.932 58.200 0.123 0.000 0.990 191 S CB 1.252 64.508 63.200 0.093 0.000 0.950 191 S HN 0.798 nan 8.310 nan 0.000 0.561 192 A N 0.812 123.677 122.820 0.076 0.000 2.070 192 A HA -0.095 3.660 4.320 -0.942 0.000 0.220 192 A C 1.571 179.189 177.584 0.056 0.000 1.159 192 A CA 1.451 53.523 52.037 0.057 0.000 0.656 192 A CB -1.036 17.987 19.000 0.038 0.000 0.800 192 A HN 0.920 nan 8.150 nan 0.000 0.453 193 D N -1.933 118.507 120.400 0.067 0.000 2.363 193 D HA 0.233 4.308 4.640 -0.942 0.000 0.226 193 D C 1.203 177.551 176.300 0.079 0.000 1.020 193 D CA 0.925 54.964 54.000 0.064 0.000 0.892 193 D CB -0.678 40.159 40.800 0.062 0.000 0.900 193 D HN 0.738 nan 8.370 nan 0.000 0.531 194 G N -0.641 108.219 108.800 0.100 0.000 2.176 194 G HA2 -0.272 3.123 3.960 -0.942 0.000 0.253 194 G HA3 -0.272 3.123 3.960 -0.942 0.000 0.253 194 G C 0.174 175.213 174.900 0.231 0.000 0.979 194 G CA -0.015 45.146 45.100 0.101 0.000 0.641 194 G HN 0.381 nan 8.290 nan 0.000 0.530 195 Q N -0.020 119.925 119.800 0.242 0.000 2.260 195 Q HA 0.563 4.337 4.340 -0.942 0.000 0.238 195 Q C 0.992 177.191 176.000 0.331 0.000 0.948 195 Q CA -0.587 55.376 55.803 0.266 0.000 0.895 195 Q CB 1.105 29.933 28.738 0.151 0.000 1.218 195 Q HN 0.493 nan 8.270 nan 0.000 0.470 196 I N 1.736 122.441 120.570 0.224 0.000 2.598 196 I HA -0.101 3.504 4.170 -0.942 0.000 0.284 196 I C 0.473 176.617 176.117 0.044 0.000 1.140 196 I CA 0.229 61.536 61.300 0.012 0.000 1.420 196 I CB 0.212 38.143 38.000 -0.115 0.000 1.387 196 I HN 0.347 nan 8.210 nan 0.000 0.553 197 D N 7.413 127.874 120.400 0.101 0.000 2.427 197 D HA 0.197 4.272 4.640 -0.942 0.000 0.226 197 D C -1.464 174.985 176.300 0.249 0.000 1.076 197 D CA -0.198 53.879 54.000 0.128 0.000 0.849 197 D CB 0.476 41.333 40.800 0.095 0.000 1.052 197 D HN 0.349 nan 8.370 nan 0.000 0.515 198 Y N 3.284 123.545 120.300 -0.066 0.000 2.329 198 Y HA 0.385 4.368 4.550 -0.944 0.000 0.328 198 Y C -1.326 174.469 175.900 -0.175 0.000 0.992 198 Y CA -0.566 57.376 58.100 -0.263 0.000 1.151 198 Y CB 1.237 39.259 38.460 -0.730 0.000 1.150 198 Y HN 0.184 nan 8.280 nan 0.000 0.450 199 Q N 5.841 125.377 119.800 -0.440 0.000 2.289 199 Q HA 0.253 4.027 4.340 -0.942 0.000 0.270 199 Q C -1.550 174.226 176.000 -0.373 0.000 1.038 199 Q CA -0.933 54.725 55.803 -0.242 0.000 0.812 199 Q CB 2.723 31.400 28.738 -0.103 0.000 1.300 199 Q HN 0.840 nan 8.270 nan 0.000 0.427 200 L N 4.683 125.793 121.223 -0.189 0.000 2.423 200 L HA 0.133 3.908 4.340 -0.942 0.000 0.249 200 L C -0.248 176.592 176.870 -0.049 0.000 1.276 200 L CA 0.049 54.823 54.840 -0.111 0.000 1.199 200 L CB -0.750 41.328 42.059 0.032 0.000 1.407 200 L HN 0.460 nan 8.230 nan 0.000 0.410 201 D N 0.156 120.518 120.400 -0.064 0.000 2.478 201 D HA 0.096 4.171 4.640 -0.942 0.000 0.269 201 D C 1.271 177.572 176.300 0.001 0.000 1.232 201 D CA -0.535 53.450 54.000 -0.025 0.000 1.059 201 D CB 0.508 41.290 40.800 -0.030 0.000 1.104 201 D HN 0.004 nan 8.370 nan 0.000 0.566 202 V N -0.611 119.311 119.914 0.013 0.000 2.343 202 V HA -0.262 3.293 4.120 -0.942 0.000 0.247 202 V C 2.437 178.557 176.094 0.045 0.000 1.051 202 V CA 2.231 64.549 62.300 0.031 0.000 1.036 202 V CB -0.762 31.078 31.823 0.027 0.000 0.654 202 V HN 0.532 nan 8.190 nan 0.000 0.451 203 M N 0.431 120.052 119.600 0.035 0.000 2.067 203 M HA -0.158 3.757 4.480 -0.942 0.000 0.260 203 M C 2.188 178.532 176.300 0.074 0.000 1.069 203 M CA 2.281 57.613 55.300 0.053 0.000 1.117 203 M CB -0.858 31.765 32.600 0.039 0.000 1.334 203 M HN 0.356 nan 8.290 nan 0.000 0.407 204 T N 0.463 115.040 114.554 0.039 0.000 2.788 204 T HA -0.080 3.704 4.350 -0.942 0.000 0.268 204 T C 1.798 176.551 174.700 0.088 0.000 1.044 204 T CA 1.479 63.605 62.100 0.045 0.000 1.139 204 T CB -0.724 68.111 68.868 -0.055 0.000 0.867 204 T HN 0.545 nan 8.240 nan 0.000 0.454 205 A N 1.093 123.965 122.820 0.086 0.000 1.972 205 A HA 0.191 3.946 4.320 -0.942 0.000 0.219 205 A C 2.507 180.233 177.584 0.236 0.000 1.169 205 A CA 1.789 53.911 52.037 0.142 0.000 0.635 205 A CB -0.784 18.279 19.000 0.105 0.000 0.810 205 A HN 0.529 nan 8.150 nan 0.000 0.446 206 A N -0.626 122.312 122.820 0.196 0.000 1.901 206 A HA 0.213 3.967 4.320 -0.942 0.000 0.210 206 A C 2.180 179.950 177.584 0.311 0.000 1.208 206 A CA 1.518 53.699 52.037 0.239 0.000 0.644 206 A CB -0.795 18.289 19.000 0.140 0.000 0.863 206 A HN 1.081 nan 8.150 nan 0.000 0.454 207 V N -3.511 116.515 119.914 0.186 0.000 3.174 207 V HA 0.542 4.097 4.120 -0.942 0.000 0.254 207 V C 1.033 177.169 176.094 0.070 0.000 1.120 207 V CA 0.706 63.079 62.300 0.122 0.000 1.114 207 V CB -0.909 30.979 31.823 0.109 0.000 0.756 207 V HN 1.772 nan 8.190 nan 0.000 0.467 208 G N -0.946 107.919 108.800 0.109 0.000 2.619 208 G HA2 -0.179 3.216 3.960 -0.942 0.000 0.686 208 G HA3 -0.179 3.216 3.960 -0.942 0.000 0.686 208 G C -1.135 173.920 174.900 0.259 0.000 1.256 208 G CA -0.330 44.842 45.100 0.119 0.000 0.826 208 G HN 1.023 nan 8.290 nan 0.000 0.619 209 W N 2.457 123.785 121.300 0.047 0.000 2.358 209 W HA 0.695 4.782 4.660 -0.955 0.000 0.307 209 W C 0.152 176.717 176.519 0.077 0.000 1.203 209 W CA -0.671 56.659 57.345 -0.025 0.000 1.279 209 W CB 0.160 29.617 29.460 -0.005 0.000 1.264 209 W HN 0.730 nan 8.180 nan 0.000 0.474 210 F N 4.233 123.811 119.950 -0.621 0.000 2.643 210 F HA 0.981 4.940 4.527 -0.947 0.000 0.314 210 F C -0.150 175.165 175.800 -0.809 0.000 1.096 210 F CA -1.144 56.458 58.000 -0.665 0.000 0.953 210 F CB 1.086 39.847 39.000 -0.398 0.000 1.345 210 F HN 0.504 nan 8.300 nan 0.000 0.468 211 G N -0.075 108.376 108.800 -0.581 0.000 2.727 211 G HA2 0.410 3.805 3.960 -0.942 0.000 0.289 211 G HA3 0.410 3.805 3.960 -0.942 0.000 0.289 211 G C -1.508 173.368 174.900 -0.041 0.000 1.418 211 G CA -0.345 44.463 45.100 -0.487 0.000 0.818 211 G HN 0.826 nan 8.290 nan 0.000 0.486 212 D N -1.453 118.967 120.400 0.034 0.000 2.349 212 D HA 0.154 4.228 4.640 -0.942 0.000 0.214 212 D C 0.510 176.933 176.300 0.205 0.000 1.063 212 D CA 0.101 54.230 54.000 0.214 0.000 0.847 212 D CB 0.432 41.291 40.800 0.099 0.000 0.933 212 D HN 0.180 nan 8.370 nan 0.000 0.513 213 T N 1.034 115.696 114.554 0.179 0.000 2.792 213 T HA 0.454 4.239 4.350 -0.942 0.000 0.280 213 T C -0.793 174.020 174.700 0.188 0.000 0.990 213 T CA -0.671 61.547 62.100 0.196 0.000 0.960 213 T CB 1.767 70.810 68.868 0.291 0.000 0.939 213 T HN -0.003 nan 8.240 nan 0.000 0.439 214 L N 4.687 126.029 121.223 0.198 0.000 2.295 214 L HA 0.633 4.408 4.340 -0.942 0.000 0.285 214 L C -1.150 175.828 176.870 0.180 0.000 1.035 214 L CA -0.501 54.438 54.840 0.166 0.000 0.806 214 L CB 0.702 42.814 42.059 0.089 0.000 1.214 214 L HN 0.573 nan 8.230 nan 0.000 0.426 215 L N 3.923 125.236 121.223 0.150 0.000 2.334 215 L HA 0.642 4.417 4.340 -0.942 0.000 0.276 215 L C -0.419 176.543 176.870 0.152 0.000 1.014 215 L CA -0.615 54.331 54.840 0.177 0.000 0.815 215 L CB 1.965 44.132 42.059 0.179 0.000 1.268 215 L HN 0.510 nan 8.230 nan 0.000 0.428 216 T N 1.250 115.897 114.554 0.155 0.000 2.892 216 T HA 0.233 4.018 4.350 -0.942 0.000 0.311 216 T C -0.050 174.705 174.700 0.092 0.000 1.033 216 T CA -0.540 61.628 62.100 0.114 0.000 0.991 216 T CB 0.559 69.499 68.868 0.120 0.000 0.981 216 T HN 0.601 nan 8.240 nan 0.000 0.457 217 N N 2.267 121.010 118.700 0.071 0.000 2.716 217 N HA -0.239 3.936 4.740 -0.942 0.000 0.250 217 N C 1.253 176.837 175.510 0.124 0.000 1.033 217 N CA 1.704 54.800 53.050 0.077 0.000 0.727 217 N CB -1.348 37.163 38.487 0.041 0.000 0.950 217 N HN 1.299 nan 8.380 nan 0.000 0.541 218 G N -2.882 106.022 108.800 0.174 0.000 2.199 218 G HA2 -0.100 3.294 3.960 -0.942 0.000 0.254 218 G HA3 -0.100 3.294 3.960 -0.942 0.000 0.254 218 G C 0.168 175.260 174.900 0.320 0.000 0.982 218 G CA 0.695 45.961 45.100 0.275 0.000 0.632 218 G HN 1.204 nan 8.290 nan 0.000 0.529 219 A N -0.100 122.850 122.820 0.216 0.000 2.325 219 A HA 0.820 4.575 4.320 -0.942 0.000 0.333 219 A C 0.112 177.822 177.584 0.211 0.000 1.155 219 A CA -0.647 51.502 52.037 0.188 0.000 0.814 219 A CB 0.865 19.927 19.000 0.105 0.000 1.206 219 A HN 0.673 nan 8.150 nan 0.000 0.482 220 I N 2.234 122.933 120.570 0.215 0.000 2.352 220 I HA 0.117 3.721 4.170 -0.942 0.000 0.290 220 I C -0.075 176.187 176.117 0.242 0.000 1.036 220 I CA -0.133 61.305 61.300 0.231 0.000 1.336 220 I CB 0.246 38.374 38.000 0.213 0.000 1.407 220 I HN 0.712 nan 8.210 nan 0.000 0.497 221 Y N 7.670 128.034 120.300 0.107 0.000 2.980 221 Y HA -0.171 3.812 4.550 -0.945 0.000 0.199 221 Y C -2.284 173.642 175.900 0.044 0.000 1.319 221 Y CA -0.983 57.161 58.100 0.074 0.000 0.877 221 Y CB -1.467 37.023 38.460 0.049 0.000 1.259 221 Y HN 0.393 nan 8.280 nan 0.000 0.437 222 P HA 0.175 nan 4.420 nan 0.000 0.276 222 P C -0.922 176.255 177.300 -0.205 0.000 1.261 222 P CA -0.285 62.754 63.100 -0.102 0.000 0.800 222 P CB 0.982 32.679 31.700 -0.005 0.000 1.066 223 Q N 0.241 119.931 119.800 -0.183 0.000 2.309 223 Q HA 0.485 4.260 4.340 -0.942 0.000 0.264 223 Q C -1.151 174.812 176.000 -0.061 0.000 1.008 223 Q CA -0.736 54.966 55.803 -0.167 0.000 0.853 223 Q CB 1.320 29.938 28.738 -0.200 0.000 1.314 223 Q HN 0.471 nan 8.270 nan 0.000 0.448 224 H N 1.322 120.302 119.070 -0.150 0.000 2.505 224 H HA 0.553 4.547 4.556 -0.937 0.000 0.338 224 H C -1.290 173.965 175.328 -0.121 0.000 1.057 224 H CA -0.289 55.683 56.048 -0.126 0.000 1.202 224 H CB 1.616 31.303 29.762 -0.126 0.000 1.466 224 H HN 0.852 nan 8.280 nan 0.000 0.499 225 A N 4.358 126.761 122.820 -0.695 0.000 2.376 225 A HA 0.604 4.358 4.320 -0.942 0.000 0.298 225 A C -0.246 176.993 177.584 -0.576 0.000 1.271 225 A CA 0.116 51.861 52.037 -0.488 0.000 0.926 225 A CB -0.695 18.109 19.000 -0.325 0.000 1.141 225 A HN 0.812 nan 8.150 nan 0.000 0.539 226 A N 5.218 127.885 122.820 -0.256 0.000 2.331 226 A HA 0.785 4.539 4.320 -0.942 0.000 0.320 226 A C -2.824 174.745 177.584 -0.024 0.000 1.138 226 A CA -1.955 50.044 52.037 -0.063 0.000 0.790 226 A CB 0.719 19.767 19.000 0.081 0.000 1.206 226 A HN 0.555 nan 8.150 nan 0.000 0.470 227 P HA 0.118 nan 4.420 nan 0.000 0.267 227 P C -0.362 176.947 177.300 0.014 0.000 1.200 227 P CA 0.080 63.186 63.100 0.010 0.000 0.772 227 P CB 0.388 32.107 31.700 0.031 0.000 0.855 228 R N 1.853 122.351 120.500 -0.002 0.000 2.570 228 R HA 0.432 4.206 4.340 -0.942 0.000 0.277 228 R C 1.215 177.496 176.300 -0.032 0.000 1.039 228 R CA 1.244 57.331 56.100 -0.022 0.000 1.065 228 R CB -0.359 29.925 30.300 -0.027 0.000 0.964 228 R HN 0.850 nan 8.270 nan 0.000 0.428 229 G N 1.979 110.718 108.800 -0.102 0.000 2.301 229 G HA2 -0.178 3.216 3.960 -0.942 0.000 0.194 229 G HA3 -0.178 3.216 3.960 -0.942 0.000 0.194 229 G C -1.617 173.131 174.900 -0.253 0.000 1.266 229 G CA -0.864 44.141 45.100 -0.157 0.000 1.210 229 G HN 0.544 nan 8.290 nan 0.000 0.524 230 W N 0.185 121.501 121.300 0.026 0.000 2.365 230 W HA 0.683 4.777 4.660 -0.944 0.000 0.316 230 W C 0.122 176.672 176.519 0.051 0.000 1.164 230 W CA -0.434 56.929 57.345 0.031 0.000 1.204 230 W CB 1.557 31.019 29.460 0.004 0.000 1.213 230 W HN 0.483 nan 8.180 nan 0.000 0.539 231 L N 4.601 126.006 121.223 0.302 0.000 2.313 231 L HA 0.510 4.284 4.340 -0.942 0.000 0.283 231 L C -0.302 176.689 176.870 0.202 0.000 1.013 231 L CA -1.266 53.700 54.840 0.210 0.000 0.816 231 L CB 1.117 43.284 42.059 0.180 0.000 1.236 231 L HN 0.459 nan 8.230 nan 0.000 0.419 232 R N 5.703 126.278 120.500 0.126 0.000 2.255 232 R HA 0.609 4.383 4.340 -0.942 0.000 0.326 232 R C -1.632 174.670 176.300 0.003 0.000 0.986 232 R CA -0.535 55.614 56.100 0.083 0.000 0.847 232 R CB 0.603 30.947 30.300 0.074 0.000 1.111 232 R HN 0.777 nan 8.270 nan 0.000 0.452 233 L N 5.698 126.918 121.223 -0.005 0.000 2.305 233 L HA 0.507 4.282 4.340 -0.942 0.000 0.284 233 L C 0.086 176.918 176.870 -0.063 0.000 1.013 233 L CA -0.811 53.979 54.840 -0.082 0.000 0.819 233 L CB 1.809 43.805 42.059 -0.105 0.000 1.227 233 L HN 0.547 nan 8.230 nan 0.000 0.417 234 R N 4.710 125.160 120.500 -0.083 0.000 2.296 234 R HA 0.433 4.208 4.340 -0.942 0.000 0.327 234 R C -0.899 175.350 176.300 -0.084 0.000 1.137 234 R CA -0.405 55.674 56.100 -0.035 0.000 1.020 234 R CB 0.359 30.674 30.300 0.024 0.000 1.110 234 R HN 0.513 nan 8.270 nan 0.000 0.499 235 L N 4.361 125.529 121.223 -0.092 0.000 2.290 235 L HA 0.332 4.107 4.340 -0.942 0.000 0.284 235 L C -0.382 176.431 176.870 -0.095 0.000 1.078 235 L CA -0.734 54.008 54.840 -0.164 0.000 0.815 235 L CB 0.754 42.656 42.059 -0.261 0.000 1.162 235 L HN 0.336 nan 8.230 nan 0.000 0.435 236 L N 4.363 125.504 121.223 -0.137 0.000 2.376 236 L HA 0.434 4.208 4.340 -0.942 0.000 0.275 236 L C -0.364 176.398 176.870 -0.181 0.000 0.987 236 L CA -0.294 54.398 54.840 -0.248 0.000 0.828 236 L CB 1.518 43.326 42.059 -0.418 0.000 1.249 236 L HN 0.431 nan 8.230 nan 0.000 0.409 237 N N 3.350 121.952 118.700 -0.162 0.000 2.448 237 N HA 0.273 4.448 4.740 -0.942 0.000 0.250 237 N C 0.693 176.010 175.510 -0.322 0.000 1.136 237 N CA 0.415 53.394 53.050 -0.119 0.000 0.953 237 N CB 1.158 39.620 38.487 -0.041 0.000 1.251 237 N HN 0.859 nan 8.380 nan 0.000 0.502 238 G N 2.212 110.834 108.800 -0.296 0.000 3.371 238 G HA2 0.059 3.454 3.960 -0.942 0.000 0.248 238 G HA3 0.059 3.454 3.960 -0.942 0.000 0.248 238 G C 0.392 175.246 174.900 -0.077 0.000 1.161 238 G CA -0.216 44.684 45.100 -0.333 0.000 0.796 238 G HN 0.565 nan 8.290 nan 0.000 0.539 239 C N 0.345 119.616 119.300 -0.049 0.000 2.657 239 C HA 0.180 4.075 4.460 -0.942 0.000 0.404 239 C C 1.846 176.895 174.990 0.098 0.000 1.291 239 C CA -0.492 58.537 59.018 0.018 0.000 2.218 239 C CB 0.846 28.555 27.740 -0.051 0.000 2.687 239 C HN 0.468 nan 8.230 nan 0.000 0.634 240 N N 0.878 119.685 118.700 0.177 0.000 2.120 240 N HA -0.048 4.127 4.740 -0.942 0.000 0.188 240 N C 1.296 176.899 175.510 0.155 0.000 1.024 240 N CA 1.867 55.045 53.050 0.215 0.000 0.852 240 N CB -0.048 38.667 38.487 0.379 0.000 1.003 240 N HN 0.840 nan 8.380 nan 0.000 0.424 241 A N -1.258 121.622 122.820 0.101 0.000 2.480 241 A HA 0.207 3.962 4.320 -0.942 0.000 0.191 241 A C 0.657 178.204 177.584 -0.062 0.000 1.503 241 A CA -0.378 51.674 52.037 0.025 0.000 1.110 241 A CB 0.329 19.359 19.000 0.049 0.000 1.401 241 A HN 0.092 nan 8.150 nan 0.000 0.533 242 R N 1.958 122.398 120.500 -0.100 0.000 2.234 242 R HA 0.418 4.192 4.340 -0.942 0.000 0.324 242 R C -0.059 176.133 176.300 -0.179 0.000 1.054 242 R CA 0.545 56.518 56.100 -0.211 0.000 0.912 242 R CB 0.577 30.687 30.300 -0.317 0.000 1.030 242 R HN 0.421 nan 8.270 nan 0.000 0.455 243 S N 4.544 120.138 115.700 -0.177 0.000 2.601 243 S HA 0.421 4.326 4.470 -0.942 0.000 0.271 243 S C 0.048 174.515 174.600 -0.221 0.000 1.305 243 S CA -0.741 57.370 58.200 -0.148 0.000 1.022 243 S CB 1.123 64.264 63.200 -0.099 0.000 0.940 243 S HN 0.525 nan 8.310 nan 0.000 0.525 244 L N 1.258 122.333 121.223 -0.247 0.000 2.283 244 L HA 0.648 4.423 4.340 -0.942 0.000 0.259 244 L C -0.591 176.033 176.870 -0.411 0.000 1.027 244 L CA -0.930 53.659 54.840 -0.419 0.000 0.828 244 L CB 1.912 43.574 42.059 -0.662 0.000 1.380 244 L HN 0.767 nan 8.230 nan 0.000 0.425 245 N N 0.734 119.137 118.700 -0.494 0.000 2.664 245 N HA 0.337 4.511 4.740 -0.942 0.000 0.268 245 N C -1.571 173.779 175.510 -0.267 0.000 1.222 245 N CA -0.345 52.523 53.050 -0.304 0.000 0.805 245 N CB 0.631 39.026 38.487 -0.153 0.000 1.399 245 N HN 0.231 nan 8.380 nan 0.000 0.547 246 F N 1.852 121.784 119.950 -0.030 0.000 2.399 246 F HA 0.741 4.688 4.527 -0.966 0.000 0.342 246 F C 1.152 176.939 175.800 -0.022 0.000 1.106 246 F CA 0.007 58.000 58.000 -0.013 0.000 1.196 246 F CB 1.313 40.306 39.000 -0.012 0.000 1.163 246 F HN 0.505 nan 8.300 nan 0.000 0.547 247 A N 0.786 123.733 122.820 0.212 0.000 2.568 247 A HA 0.786 4.541 4.320 -0.942 0.000 0.291 247 A C -0.713 176.960 177.584 0.149 0.000 1.159 247 A CA -0.552 51.556 52.037 0.119 0.000 0.679 247 A CB 1.110 20.145 19.000 0.057 0.000 1.285 247 A HN 0.671 nan 8.150 nan 0.000 0.428 248 T N -1.761 112.860 114.554 0.112 0.000 2.888 248 T HA 0.515 4.299 4.350 -0.942 0.000 0.284 248 T C 1.114 175.889 174.700 0.124 0.000 1.017 248 T CA 0.273 62.474 62.100 0.168 0.000 1.022 248 T CB 1.348 70.287 68.868 0.117 0.000 1.013 248 T HN 1.582 nan 8.240 nan 0.000 0.465 249 S N 0.885 116.690 115.700 0.175 0.000 2.419 249 S HA -0.153 3.752 4.470 -0.942 0.000 0.233 249 S C 1.107 175.748 174.600 0.068 0.000 1.016 249 S CA 1.206 59.474 58.200 0.114 0.000 0.974 249 S CB -0.666 62.615 63.200 0.134 0.000 0.786 249 S HN 0.923 nan 8.310 nan 0.000 0.492 250 D N 0.618 121.049 120.400 0.051 0.000 2.424 250 D HA 0.134 4.209 4.640 -0.942 0.000 0.220 250 D C 0.009 176.284 176.300 -0.043 0.000 1.150 250 D CA -0.348 53.648 54.000 -0.007 0.000 0.831 250 D CB -1.026 39.759 40.800 -0.025 0.000 0.981 250 D HN 0.314 nan 8.370 nan 0.000 0.500 251 N N 0.813 119.494 118.700 -0.032 0.000 2.741 251 N HA -0.211 3.964 4.740 -0.942 0.000 0.251 251 N C -0.296 175.166 175.510 -0.079 0.000 1.112 251 N CA 0.788 53.811 53.050 -0.044 0.000 0.750 251 N CB -1.534 36.932 38.487 -0.035 0.000 1.119 251 N HN 0.654 nan 8.380 nan 0.000 0.561 252 R N 0.719 121.144 120.500 -0.126 0.000 2.594 252 R HA 0.394 4.168 4.340 -0.942 0.000 0.272 252 R C -2.394 173.830 176.300 -0.126 0.000 1.074 252 R CA -0.903 55.105 56.100 -0.153 0.000 1.105 252 R CB 0.234 30.368 30.300 -0.277 0.000 1.008 252 R HN -0.080 nan 8.270 nan 0.000 0.472 253 P HA 0.115 nan 4.420 nan 0.000 0.274 253 P C -0.710 176.469 177.300 -0.201 0.000 1.246 253 P CA -0.360 62.605 63.100 -0.224 0.000 0.795 253 P CB 0.762 32.225 31.700 -0.395 0.000 1.006 254 L N 1.644 122.724 121.223 -0.238 0.000 2.317 254 L HA 0.382 4.157 4.340 -0.942 0.000 0.281 254 L C -0.309 176.404 176.870 -0.262 0.000 1.024 254 L CA -0.866 53.907 54.840 -0.112 0.000 0.810 254 L CB 0.741 42.761 42.059 -0.065 0.000 1.240 254 L HN 0.328 nan 8.230 nan 0.000 0.427 255 Y N 2.082 122.419 120.300 0.062 0.000 2.417 255 Y HA 0.307 4.290 4.550 -0.944 0.000 0.336 255 Y C 0.138 176.046 175.900 0.012 0.000 0.961 255 Y CA -0.793 57.323 58.100 0.027 0.000 1.215 255 Y CB 1.337 39.811 38.460 0.023 0.000 1.120 255 Y HN 0.183 nan 8.280 nan 0.000 0.499 256 V N 5.999 125.965 119.914 0.086 0.000 2.470 256 V HA 0.006 3.560 4.120 -0.942 0.000 0.276 256 V C 1.123 177.302 176.094 0.142 0.000 1.040 256 V CA 0.174 62.534 62.300 0.101 0.000 1.008 256 V CB 0.216 32.072 31.823 0.055 0.000 0.990 256 V HN 0.873 nan 8.190 nan 0.000 0.477 257 I N 1.919 122.574 120.570 0.142 0.000 4.035 257 I HA 0.750 4.354 4.170 -0.942 0.000 0.321 257 I C 0.710 176.905 176.117 0.130 0.000 1.289 257 I CA 0.250 61.615 61.300 0.109 0.000 1.236 257 I CB 0.444 38.481 38.000 0.062 0.000 1.076 257 I HN 0.541 nan 8.210 nan 0.000 0.418 258 A N 0.744 123.670 122.820 0.176 0.000 2.604 258 A HA 0.766 4.521 4.320 -0.942 0.000 0.295 258 A C -0.371 177.321 177.584 0.181 0.000 1.067 258 A CA 0.030 52.162 52.037 0.160 0.000 0.683 258 A CB 1.139 20.206 19.000 0.111 0.000 1.281 258 A HN 0.317 nan 8.150 nan 0.000 0.407 259 S N -0.152 115.588 115.700 0.067 0.000 2.795 259 S HA 0.553 4.457 4.470 -0.942 0.000 0.308 259 S C 0.210 174.692 174.600 -0.196 0.000 1.098 259 S CA -0.005 58.068 58.200 -0.211 0.000 0.934 259 S CB 0.468 63.604 63.200 -0.107 0.000 1.300 259 S HN 0.542 nan 8.310 nan 0.000 0.566 260 D N 1.372 121.603 120.400 -0.281 0.000 2.157 260 D HA -0.082 3.992 4.640 -0.942 0.000 0.191 260 D C 1.670 177.960 176.300 -0.017 0.000 1.004 260 D CA 2.063 55.983 54.000 -0.132 0.000 0.854 260 D CB -0.905 39.840 40.800 -0.093 0.000 0.936 260 D HN 0.767 nan 8.370 nan 0.000 0.446 261 G N -1.036 107.784 108.800 0.034 0.000 3.189 261 G HA2 0.457 3.852 3.960 -0.942 0.000 0.225 261 G HA3 0.457 3.852 3.960 -0.942 0.000 0.225 261 G C 0.643 175.586 174.900 0.073 0.000 1.159 261 G CA 0.488 45.620 45.100 0.054 0.000 0.763 261 G HN 0.651 nan 8.290 nan 0.000 0.549 262 G N -0.521 108.352 108.800 0.121 0.000 2.325 262 G HA2 0.016 3.411 3.960 -0.942 0.000 0.285 262 G HA3 0.016 3.411 3.960 -0.942 0.000 0.285 262 G C -0.634 174.370 174.900 0.174 0.000 1.303 262 G CA -1.058 44.120 45.100 0.130 0.000 0.970 262 G HN 0.352 nan 8.290 nan 0.000 0.490 263 L N 0.902 122.220 121.223 0.158 0.000 2.514 263 L HA 0.227 4.002 4.340 -0.942 0.000 0.280 263 L C 1.123 178.083 176.870 0.151 0.000 1.223 263 L CA -0.142 54.780 54.840 0.137 0.000 0.864 263 L CB 0.086 42.209 42.059 0.106 0.000 1.118 263 L HN 0.407 nan 8.230 nan 0.000 0.494 264 L N 4.901 126.194 121.223 0.117 0.000 2.472 264 L HA 0.132 3.907 4.340 -0.942 0.000 0.260 264 L C -1.128 175.779 176.870 0.063 0.000 1.209 264 L CA -1.502 53.388 54.840 0.084 0.000 0.817 264 L CB 0.107 42.225 42.059 0.100 0.000 1.106 264 L HN 0.472 nan 8.230 nan 0.000 0.479 265 P HA -0.132 nan 4.420 nan 0.000 0.216 265 P C -0.264 177.053 177.300 0.027 0.000 1.153 265 P CA 1.333 64.450 63.100 0.029 0.000 0.848 265 P CB 0.121 31.827 31.700 0.009 0.000 0.787 266 E N -1.705 118.514 120.200 0.031 0.000 2.429 266 E HA 0.548 4.332 4.350 -0.942 0.000 0.276 266 E C -3.177 173.450 176.600 0.046 0.000 0.953 266 E CA -3.003 53.413 56.400 0.027 0.000 0.787 266 E CB 1.082 30.794 29.700 0.022 0.000 1.307 266 E HN -0.211 nan 8.360 nan 0.000 0.458 267 P HA 0.092 nan 4.420 nan 0.000 0.271 267 P C -0.852 176.514 177.300 0.110 0.000 1.218 267 P CA -0.376 62.772 63.100 0.080 0.000 0.780 267 P CB 0.685 32.420 31.700 0.058 0.000 0.901 268 V N 3.638 123.622 119.914 0.116 0.000 2.349 268 V HA 0.236 3.791 4.120 -0.942 0.000 0.284 268 V C 0.385 176.486 176.094 0.011 0.000 1.014 268 V CA -0.719 61.628 62.300 0.079 0.000 0.826 268 V CB 1.079 32.962 31.823 0.101 0.000 1.009 268 V HN 0.447 nan 8.190 nan 0.000 0.431 269 K N 4.569 124.960 120.400 -0.015 0.000 2.339 269 K HA 0.536 4.290 4.320 -0.942 0.000 0.286 269 K C -0.538 175.926 176.600 -0.227 0.000 1.050 269 K CA -0.169 55.978 56.287 -0.234 0.000 0.956 269 K CB 1.084 33.463 32.500 -0.202 0.000 0.990 269 K HN 0.642 nan 8.250 nan 0.000 0.475 270 V N 0.452 120.186 119.914 -0.299 0.000 2.962 270 V HA 0.360 3.914 4.120 -0.942 0.000 0.313 270 V C 0.222 176.185 176.094 -0.218 0.000 1.099 270 V CA -0.692 61.461 62.300 -0.245 0.000 0.971 270 V CB 1.952 33.581 31.823 -0.323 0.000 1.028 270 V HN 0.740 nan 8.190 nan 0.000 0.430 271 S N 1.440 117.047 115.700 -0.155 0.000 2.470 271 S HA 0.188 4.092 4.470 -0.942 0.000 0.222 271 S C 0.392 174.941 174.600 -0.086 0.000 1.024 271 S CA 0.824 58.957 58.200 -0.113 0.000 0.931 271 S CB -0.225 62.925 63.200 -0.082 0.000 0.791 271 S HN 0.984 nan 8.310 nan 0.000 0.513 272 E N 0.086 120.228 120.200 -0.097 0.000 2.408 272 E HA 0.595 4.380 4.350 -0.942 0.000 0.275 272 E C -1.643 174.882 176.600 -0.124 0.000 0.935 272 E CA -0.966 55.391 56.400 -0.072 0.000 0.775 272 E CB 1.464 31.136 29.700 -0.047 0.000 1.277 272 E HN 0.011 nan 8.360 nan 0.000 0.455 273 L N 1.790 122.963 121.223 -0.084 0.000 2.492 273 L HA 0.444 4.218 4.340 -0.942 0.000 0.258 273 L C -2.910 173.920 176.870 -0.066 0.000 1.028 273 L CA -1.831 52.918 54.840 -0.151 0.000 0.900 273 L CB 1.408 43.372 42.059 -0.158 0.000 1.191 273 L HN 0.362 nan 8.230 nan 0.000 0.459 274 P HA 0.182 nan 4.420 nan 0.000 0.267 274 P C -1.152 176.169 177.300 0.036 0.000 1.205 274 P CA 0.148 63.229 63.100 -0.031 0.000 0.765 274 P CB 0.890 32.595 31.700 0.008 0.000 0.828 275 V N 5.070 125.017 119.914 0.055 0.000 2.482 275 V HA 0.285 3.840 4.120 -0.942 0.000 0.295 275 V C 0.290 176.449 176.094 0.108 0.000 1.026 275 V CA -0.624 61.806 62.300 0.217 0.000 0.856 275 V CB 1.412 33.451 31.823 0.359 0.000 1.001 275 V HN 0.378 nan 8.190 nan 0.000 0.424 276 L N 3.607 124.918 121.223 0.148 0.000 2.456 276 L HA 0.492 4.267 4.340 -0.942 0.000 0.257 276 L C 0.279 177.171 176.870 0.037 0.000 1.162 276 L CA -0.782 54.109 54.840 0.084 0.000 0.808 276 L CB 0.666 42.803 42.059 0.129 0.000 1.136 276 L HN 0.500 nan 8.230 nan 0.000 0.466 277 M N 1.448 121.068 119.600 0.034 0.000 2.284 277 M HA 0.149 4.064 4.480 -0.942 0.000 0.351 277 M C 1.026 177.267 176.300 -0.098 0.000 1.443 277 M CA 1.182 56.491 55.300 0.015 0.000 1.031 277 M CB -0.232 32.446 32.600 0.130 0.000 1.893 277 M HN 0.817 nan 8.290 nan 0.000 0.456 278 G N 1.459 110.106 108.800 -0.255 0.000 2.199 278 G HA2 -0.216 3.179 3.960 -0.942 0.000 0.254 278 G HA3 -0.216 3.179 3.960 -0.942 0.000 0.254 278 G C 0.080 174.743 174.900 -0.396 0.000 0.982 278 G CA -0.083 44.760 45.100 -0.428 0.000 0.632 278 G HN 0.639 nan 8.290 nan 0.000 0.529 279 E N 0.222 120.284 120.200 -0.231 0.000 2.343 279 E HA 0.581 4.366 4.350 -0.942 0.000 0.269 279 E C 0.292 176.753 176.600 -0.232 0.000 1.047 279 E CA -0.309 55.991 56.400 -0.167 0.000 0.874 279 E CB 0.540 30.235 29.700 -0.009 0.000 1.033 279 E HN 0.267 nan 8.360 nan 0.000 0.409 280 R N 1.511 121.834 120.500 -0.296 0.000 2.670 280 R HA 0.527 4.302 4.340 -0.942 0.000 0.289 280 R C -1.256 174.800 176.300 -0.406 0.000 0.965 280 R CA -0.425 55.533 56.100 -0.237 0.000 0.899 280 R CB 0.976 31.174 30.300 -0.170 0.000 1.173 280 R HN 0.339 nan 8.270 nan 0.000 0.456 281 F N 0.099 120.057 119.950 0.013 0.000 2.578 281 F HA 0.405 4.383 4.527 -0.914 0.000 0.311 281 F C -0.036 175.768 175.800 0.006 0.000 1.094 281 F CA -0.764 57.261 58.000 0.042 0.000 0.923 281 F CB 2.356 41.401 39.000 0.076 0.000 1.230 281 F HN 0.310 nan 8.300 nan 0.000 0.450 282 E N 2.427 122.754 120.200 0.211 0.000 2.166 282 E HA 0.606 4.391 4.350 -0.942 0.000 0.275 282 E C -1.121 175.562 176.600 0.138 0.000 0.941 282 E CA -0.923 55.553 56.400 0.127 0.000 0.784 282 E CB 2.438 32.197 29.700 0.099 0.000 1.115 282 E HN 0.423 nan 8.360 nan 0.000 0.399 283 V N 0.421 120.391 119.914 0.094 0.000 2.864 283 V HA 0.596 4.151 4.120 -0.942 0.000 0.314 283 V C -0.931 175.243 176.094 0.134 0.000 1.073 283 V CA -1.126 61.237 62.300 0.107 0.000 0.956 283 V CB 1.480 33.343 31.823 0.067 0.000 1.023 283 V HN 0.412 nan 8.190 nan 0.000 0.435 284 L N 3.126 124.470 121.223 0.203 0.000 2.317 284 L HA 0.821 4.595 4.340 -0.942 0.000 0.281 284 L C -0.177 176.984 176.870 0.485 0.000 1.024 284 L CA -0.131 54.889 54.840 0.300 0.000 0.810 284 L CB 1.661 43.820 42.059 0.167 0.000 1.240 284 L HN 0.768 nan 8.230 nan 0.000 0.427 285 V N 3.204 123.400 119.914 0.470 0.000 2.789 285 V HA 0.475 4.029 4.120 -0.942 0.000 0.311 285 V C -0.482 175.732 176.094 0.200 0.000 1.073 285 V CA -0.560 61.965 62.300 0.374 0.000 0.921 285 V CB 2.240 34.223 31.823 0.267 0.000 1.009 285 V HN 0.808 nan 8.190 nan 0.000 0.426 286 E N 3.525 123.663 120.200 -0.103 0.000 2.354 286 E HA 0.451 4.235 4.350 -0.942 0.000 0.269 286 E C -1.213 175.245 176.600 -0.238 0.000 1.036 286 E CA -0.306 55.793 56.400 -0.502 0.000 0.876 286 E CB 1.912 31.231 29.700 -0.634 0.000 1.009 286 E HN 0.500 nan 8.360 nan 0.000 0.416 287 V N 3.756 123.549 119.914 -0.201 0.000 2.407 287 V HA 0.222 3.777 4.120 -0.942 0.000 0.291 287 V C -0.698 175.347 176.094 -0.082 0.000 1.018 287 V CA -0.874 61.419 62.300 -0.012 0.000 0.842 287 V CB 1.285 33.158 31.823 0.083 0.000 0.996 287 V HN 0.637 nan 8.190 nan 0.000 0.426 288 N N 2.835 121.501 118.700 -0.057 0.000 2.361 288 N HA 0.336 4.511 4.740 -0.942 0.000 0.302 288 N C 0.642 176.143 175.510 -0.015 0.000 1.074 288 N CA -0.803 52.209 53.050 -0.063 0.000 0.850 288 N CB 1.743 40.178 38.487 -0.087 0.000 1.228 288 N HN 0.579 nan 8.380 nan 0.000 0.491 289 D N 1.052 121.439 120.400 -0.021 0.000 2.160 289 D HA -0.279 3.795 4.640 -0.942 0.000 0.189 289 D C 1.387 177.690 176.300 0.005 0.000 1.003 289 D CA 1.680 55.675 54.000 -0.008 0.000 0.846 289 D CB 0.011 40.802 40.800 -0.014 0.000 0.949 289 D HN 0.566 nan 8.370 nan 0.000 0.446 290 N N 0.530 119.232 118.700 0.004 0.000 2.047 290 N HA -0.115 4.060 4.740 -0.942 0.000 0.193 290 N C -0.214 175.315 175.510 0.031 0.000 1.055 290 N CA 0.998 54.055 53.050 0.010 0.000 0.847 290 N CB -0.202 38.287 38.487 0.004 0.000 1.038 290 N HN 0.117 nan 8.380 nan 0.000 0.427 291 K N 2.031 122.460 120.400 0.047 0.000 2.363 291 K HA 0.194 3.948 4.320 -0.942 0.000 0.289 291 K C -2.216 174.481 176.600 0.162 0.000 1.063 291 K CA -1.309 55.026 56.287 0.081 0.000 0.967 291 K CB 0.755 33.294 32.500 0.065 0.000 0.987 291 K HN 0.337 nan 8.250 nan 0.000 0.473 292 P HA 0.112 nan 4.420 nan 0.000 0.274 292 P C -0.941 176.484 177.300 0.208 0.000 1.231 292 P CA -0.322 62.837 63.100 0.100 0.000 0.790 292 P CB 0.417 32.123 31.700 0.009 0.000 0.951 293 F N -1.260 118.704 119.950 0.022 0.000 2.685 293 F HA 0.679 4.639 4.527 -0.944 0.000 0.315 293 F C -1.150 174.690 175.800 0.066 0.000 1.126 293 F CA -1.280 56.741 58.000 0.036 0.000 0.950 293 F CB 0.864 39.877 39.000 0.022 0.000 1.360 293 F HN 0.001 nan 8.300 nan 0.000 0.469 294 D N 1.589 122.079 120.400 0.150 0.000 2.198 294 D HA 0.403 4.477 4.640 -0.942 0.000 0.247 294 D C -0.993 175.423 176.300 0.194 0.000 1.010 294 D CA -0.256 53.801 54.000 0.095 0.000 0.880 294 D CB 2.351 43.242 40.800 0.153 0.000 1.209 294 D HN 0.672 nan 8.370 nan 0.000 0.451 295 L N 2.705 124.004 121.223 0.126 0.000 2.367 295 L HA 0.338 4.112 4.340 -0.942 0.000 0.275 295 L C -0.422 176.575 176.870 0.211 0.000 1.129 295 L CA -0.081 54.872 54.840 0.188 0.000 0.839 295 L CB 0.751 42.881 42.059 0.118 0.000 1.133 295 L HN 0.244 nan 8.230 nan 0.000 0.453 296 V N 1.457 121.509 119.914 0.230 0.000 3.126 296 V HA 0.765 4.319 4.120 -0.942 0.000 0.314 296 V C -0.387 175.841 176.094 0.223 0.000 1.138 296 V CA -0.487 61.931 62.300 0.196 0.000 1.034 296 V CB 1.810 33.701 31.823 0.113 0.000 1.075 296 V HN 0.824 nan 8.190 nan 0.000 0.442 297 T N 2.233 116.871 114.554 0.141 0.000 2.807 297 T HA 0.669 4.454 4.350 -0.942 0.000 0.279 297 T C -0.687 174.026 174.700 0.022 0.000 0.993 297 T CA -0.506 61.586 62.100 -0.014 0.000 0.970 297 T CB 0.652 69.429 68.868 -0.151 0.000 0.950 297 T HN 0.734 nan 8.240 nan 0.000 0.441 298 L N 5.983 127.188 121.223 -0.031 0.000 2.357 298 L HA 0.463 4.238 4.340 -0.942 0.000 0.273 298 L C -1.976 174.884 176.870 -0.016 0.000 1.080 298 L CA -2.463 52.371 54.840 -0.009 0.000 0.803 298 L CB 0.881 42.927 42.059 -0.022 0.000 1.174 298 L HN 0.472 nan 8.230 nan 0.000 0.443 299 P HA -0.022 nan 4.420 nan 0.000 0.264 299 P C -0.660 176.619 177.300 -0.036 0.000 1.183 299 P CA -0.017 63.085 63.100 0.004 0.000 0.763 299 P CB 0.467 32.172 31.700 0.009 0.000 0.807 300 V N 0.139 120.015 119.914 -0.062 0.000 2.850 300 V HA 0.577 4.132 4.120 -0.942 0.000 0.315 300 V C 0.199 176.246 176.094 -0.078 0.000 1.064 300 V CA -0.772 61.479 62.300 -0.082 0.000 0.979 300 V CB 2.026 33.778 31.823 -0.118 0.000 1.039 300 V HN 0.413 nan 8.190 nan 0.000 0.452 301 S N 2.645 118.305 115.700 -0.068 0.000 2.835 301 S HA 0.418 4.323 4.470 -0.942 0.000 0.286 301 S C -0.381 174.172 174.600 -0.078 0.000 1.194 301 S CA -0.292 57.871 58.200 -0.062 0.000 1.031 301 S CB -0.912 62.263 63.200 -0.042 0.000 1.216 301 S HN 0.942 nan 8.310 nan 0.000 0.502 302 Q N 3.870 123.605 119.800 -0.108 0.000 2.327 302 Q HA 0.289 4.064 4.340 -0.942 0.000 0.265 302 Q C -0.921 174.974 176.000 -0.174 0.000 0.993 302 Q CA -0.754 54.969 55.803 -0.133 0.000 0.885 302 Q CB 1.510 30.154 28.738 -0.156 0.000 1.379 302 Q HN 0.707 nan 8.270 nan 0.000 0.408 303 M N 3.459 122.969 119.600 -0.149 0.000 2.336 303 M HA 0.123 4.038 4.480 -0.942 0.000 0.371 303 M C 1.054 177.170 176.300 -0.307 0.000 1.542 303 M CA 2.639 57.843 55.300 -0.159 0.000 0.959 303 M CB -0.227 32.319 32.600 -0.090 0.000 2.033 303 M HN 0.920 nan 8.290 nan 0.000 0.472 304 G N 4.142 112.735 108.800 -0.345 0.000 2.284 304 G HA2 -0.263 3.132 3.960 -0.942 0.000 0.247 304 G HA3 -0.263 3.132 3.960 -0.942 0.000 0.247 304 G C 0.644 175.037 174.900 -0.845 0.000 1.012 304 G CA 0.496 45.183 45.100 -0.689 0.000 0.618 304 G HN 0.626 nan 8.290 nan 0.000 0.521 305 M N 0.600 119.847 119.600 -0.589 0.000 2.514 305 M HA 0.466 4.381 4.480 -0.942 0.000 0.258 305 M C 2.438 178.602 176.300 -0.227 0.000 1.119 305 M CA 1.151 56.155 55.300 -0.493 0.000 1.111 305 M CB -0.534 31.816 32.600 -0.416 0.000 1.390 305 M HN 0.724 nan 8.290 nan 0.000 0.475 306 A N 0.250 122.985 122.820 -0.142 0.000 2.307 306 A HA 0.305 4.060 4.320 -0.942 0.000 0.218 306 A C 0.968 178.567 177.584 0.026 0.000 1.228 306 A CA -0.301 51.719 52.037 -0.028 0.000 0.857 306 A CB -0.380 18.597 19.000 -0.040 0.000 0.897 306 A HN 0.333 nan 8.150 nan 0.000 0.495 307 I N 1.255 121.841 120.570 0.027 0.000 2.634 307 I HA 0.192 3.797 4.170 -0.942 0.000 0.284 307 I C 1.173 177.382 176.117 0.152 0.000 1.124 307 I CA -0.418 60.934 61.300 0.087 0.000 1.417 307 I CB 0.994 39.074 38.000 0.133 0.000 1.396 307 I HN 0.308 nan 8.210 nan 0.000 0.571 308 A N 8.968 131.845 122.820 0.095 0.000 2.587 308 A HA 0.095 3.849 4.320 -0.942 0.000 0.233 308 A C -1.466 176.171 177.584 0.087 0.000 1.049 308 A CA -0.569 51.503 52.037 0.059 0.000 0.754 308 A CB -0.437 18.575 19.000 0.019 0.000 0.977 308 A HN 0.672 nan 8.150 nan 0.000 0.509 309 P HA 0.160 nan 4.420 nan 0.000 0.256 309 P C -0.064 177.072 177.300 -0.274 0.000 1.384 309 P CA 0.378 63.374 63.100 -0.173 0.000 0.879 309 P CB -0.051 31.506 31.700 -0.237 0.000 1.403 310 F N 1.238 121.225 119.950 0.062 0.000 2.692 310 F HA 0.048 4.014 4.527 -0.936 0.000 0.303 310 F C 1.751 177.545 175.800 -0.010 0.000 1.114 310 F CA 0.035 58.047 58.000 0.021 0.000 1.361 310 F CB -0.299 38.664 39.000 -0.062 0.000 1.063 310 F HN -0.048 nan 8.300 nan 0.000 0.550 311 D N 0.018 120.472 120.400 0.090 0.000 2.348 311 D HA -0.088 3.987 4.640 -0.942 0.000 0.216 311 D C 0.311 176.621 176.300 0.016 0.000 0.970 311 D CA 0.686 54.711 54.000 0.041 0.000 0.889 311 D CB 0.028 40.838 40.800 0.018 0.000 0.912 311 D HN 0.246 nan 8.370 nan 0.000 0.524 312 K N -0.053 120.350 120.400 0.006 0.000 2.395 312 K HA 0.495 4.250 4.320 -0.942 0.000 0.245 312 K C -2.871 173.731 176.600 0.004 0.000 1.017 312 K CA -2.359 53.919 56.287 -0.014 0.000 0.852 312 K CB 1.737 34.207 32.500 -0.051 0.000 1.311 312 K HN -0.245 nan 8.250 nan 0.000 0.452 313 P HA -0.104 nan 4.420 nan 0.000 0.262 313 P C -1.133 176.162 177.300 -0.009 0.000 1.182 313 P CA 0.507 63.614 63.100 0.013 0.000 0.761 313 P CB 0.277 31.976 31.700 -0.002 0.000 0.795 314 H N 4.741 123.771 119.070 -0.067 0.000 2.505 314 H HA 0.371 4.364 4.556 -0.938 0.000 0.338 314 H C -2.560 172.708 175.328 -0.100 0.000 1.057 314 H CA -2.545 53.420 56.048 -0.138 0.000 1.202 314 H CB 1.346 31.007 29.762 -0.168 0.000 1.466 314 H HN 0.175 nan 8.280 nan 0.000 0.499 315 P HA -0.037 nan 4.420 nan 0.000 0.268 315 P C 0.455 177.851 177.300 0.161 0.000 1.205 315 P CA 0.040 63.053 63.100 -0.145 0.000 0.771 315 P CB 1.391 32.624 31.700 -0.780 0.000 0.858 316 V N 2.524 122.578 119.914 0.234 0.000 2.806 316 V HA 0.235 3.789 4.120 -0.942 0.000 0.239 316 V C 0.814 177.094 176.094 0.310 0.000 1.113 316 V CA 1.207 63.683 62.300 0.293 0.000 1.137 316 V CB -0.413 31.602 31.823 0.320 0.000 0.865 316 V HN 0.611 nan 8.190 nan 0.000 0.482 317 M N -0.960 118.812 119.600 0.287 0.000 2.562 317 M HA 0.550 4.465 4.480 -0.942 0.000 0.281 317 M C -1.007 175.381 176.300 0.148 0.000 1.195 317 M CA -0.694 54.741 55.300 0.225 0.000 0.888 317 M CB 2.357 35.001 32.600 0.073 0.000 1.731 317 M HN -0.084 nan 8.290 nan 0.000 0.493 318 R N 1.542 122.036 120.500 -0.010 0.000 2.297 318 R HA 0.720 4.494 4.340 -0.942 0.000 0.308 318 R C -1.676 174.493 176.300 -0.218 0.000 1.029 318 R CA -0.460 55.571 56.100 -0.114 0.000 0.929 318 R CB 0.938 31.118 30.300 -0.200 0.000 1.046 318 R HN 0.761 nan 8.270 nan 0.000 0.461 319 I N 3.739 124.054 120.570 -0.424 0.000 2.315 319 I HA 0.140 3.745 4.170 -0.942 0.000 0.291 319 I C -0.302 175.609 176.117 -0.344 0.000 1.006 319 I CA -0.217 60.808 61.300 -0.459 0.000 1.265 319 I CB 1.625 39.120 38.000 -0.841 0.000 1.387 319 I HN 0.480 nan 8.210 nan 0.000 0.475 320 Q N 9.215 128.894 119.800 -0.201 0.000 2.372 320 Q HA 0.493 4.268 4.340 -0.942 0.000 0.259 320 Q C -2.608 173.333 176.000 -0.098 0.000 0.993 320 Q CA -2.155 53.568 55.803 -0.134 0.000 0.854 320 Q CB 1.475 30.133 28.738 -0.133 0.000 1.231 320 Q HN 0.232 nan 8.270 nan 0.000 0.462 321 P HA 0.084 nan 4.420 nan 0.000 0.265 321 P C -0.818 176.458 177.300 -0.040 0.000 1.193 321 P CA 0.340 63.431 63.100 -0.015 0.000 0.765 321 P CB 0.313 32.026 31.700 0.021 0.000 0.823 322 I N -1.126 119.417 120.570 -0.044 0.000 3.042 322 I HA 0.823 4.428 4.170 -0.942 0.000 0.310 322 I C -0.610 175.490 176.117 -0.028 0.000 1.117 322 I CA -1.624 59.649 61.300 -0.045 0.000 1.003 322 I CB 2.599 40.559 38.000 -0.068 0.000 1.228 322 I HN 0.139 nan 8.210 nan 0.000 0.443 323 A N 5.208 128.014 122.820 -0.024 0.000 3.249 323 A HA 0.678 4.433 4.320 -0.942 0.000 0.297 323 A C -0.058 177.520 177.584 -0.011 0.000 1.302 323 A CA -0.482 51.547 52.037 -0.015 0.000 1.074 323 A CB -0.814 18.178 19.000 -0.013 0.000 1.132 323 A HN 0.685 nan 8.150 nan 0.000 0.575 324 I N -2.947 117.617 120.570 -0.009 0.000 3.023 324 I HA 0.641 4.246 4.170 -0.942 0.000 0.312 324 I C 0.042 176.165 176.117 0.010 0.000 1.056 324 I CA -0.919 60.381 61.300 -0.001 0.000 1.033 324 I CB 1.835 39.833 38.000 -0.005 0.000 1.233 324 I HN 0.058 nan 8.210 nan 0.000 0.462 325 S N 2.222 117.932 115.700 0.017 0.000 2.558 325 S HA 0.416 4.321 4.470 -0.942 0.000 0.293 325 S C 0.065 174.687 174.600 0.037 0.000 1.292 325 S CA -0.365 57.851 58.200 0.026 0.000 1.063 325 S CB 0.455 63.672 63.200 0.028 0.000 0.831 325 S HN 0.843 nan 8.310 nan 0.000 0.499 326 A N 1.969 124.817 122.820 0.046 0.000 2.342 326 A HA 0.639 4.394 4.320 -0.942 0.000 0.323 326 A C 0.816 178.445 177.584 0.076 0.000 1.125 326 A CA -0.604 51.473 52.037 0.066 0.000 0.785 326 A CB 1.110 20.153 19.000 0.072 0.000 1.221 326 A HN 0.887 nan 8.150 nan 0.000 0.463 327 S N 1.196 116.947 115.700 0.085 0.000 2.556 327 S HA 0.478 4.382 4.470 -0.942 0.000 0.216 327 S C 0.753 175.400 174.600 0.079 0.000 0.970 327 S CA 0.410 58.656 58.200 0.077 0.000 0.912 327 S CB -0.040 63.205 63.200 0.075 0.000 0.790 327 S HN 1.645 nan 8.310 nan 0.000 0.504 328 G N -0.340 108.522 108.800 0.105 0.000 2.727 328 G HA2 0.770 4.165 3.960 -0.942 0.000 0.289 328 G HA3 0.770 4.165 3.960 -0.942 0.000 0.289 328 G C -1.239 173.732 174.900 0.119 0.000 1.418 328 G CA -0.368 44.785 45.100 0.087 0.000 0.818 328 G HN 0.662 nan 8.290 nan 0.000 0.486 329 A N -1.189 121.613 122.820 -0.030 0.000 2.524 329 A HA 0.798 4.553 4.320 -0.942 0.000 0.289 329 A C -1.779 175.434 177.584 -0.617 0.000 1.248 329 A CA -0.660 51.233 52.037 -0.241 0.000 0.712 329 A CB 1.501 20.440 19.000 -0.103 0.000 1.312 329 A HN 1.480 nan 8.150 nan 0.000 0.441 330 L N 1.738 122.352 121.223 -1.015 0.000 2.264 330 L HA 0.569 4.344 4.340 -0.942 0.000 0.287 330 L C -2.329 174.262 176.870 -0.465 0.000 1.039 330 L CA -1.540 52.754 54.840 -0.910 0.000 0.829 330 L CB 0.569 41.728 42.059 -1.499 0.000 1.211 330 L HN 0.416 nan 8.230 nan 0.000 0.427 331 P HA 0.231 nan 4.420 nan 0.000 0.275 331 P C -0.183 177.031 177.300 -0.143 0.000 1.228 331 P CA -0.286 62.712 63.100 -0.170 0.000 0.786 331 P CB 0.792 32.426 31.700 -0.110 0.000 0.927 332 D N -0.148 120.194 120.400 -0.097 0.000 2.178 332 D HA -0.038 4.037 4.640 -0.942 0.000 0.202 332 D C 0.161 176.437 176.300 -0.039 0.000 0.974 332 D CA 1.503 55.465 54.000 -0.065 0.000 0.841 332 D CB 0.075 40.850 40.800 -0.042 0.000 0.953 332 D HN 0.356 nan 8.370 nan 0.000 0.478 333 T N -0.084 114.450 114.554 -0.033 0.000 2.861 333 T HA 0.463 4.247 4.350 -0.942 0.000 0.287 333 T C 1.143 175.835 174.700 -0.014 0.000 1.003 333 T CA -0.583 61.508 62.100 -0.014 0.000 0.977 333 T CB 2.398 71.263 68.868 -0.006 0.000 0.996 333 T HN -0.190 nan 8.240 nan 0.000 0.448 334 L N 1.282 122.506 121.223 0.002 0.000 2.433 334 L HA 0.349 4.124 4.340 -0.942 0.000 0.200 334 L C 1.146 178.032 176.870 0.027 0.000 1.059 334 L CA 0.038 54.884 54.840 0.010 0.000 0.835 334 L CB 0.217 42.288 42.059 0.021 0.000 1.076 334 L HN 0.785 nan 8.230 nan 0.000 0.481 335 S N -2.615 113.107 115.700 0.038 0.000 2.757 335 S HA 0.431 4.335 4.470 -0.942 0.000 0.285 335 S C -0.822 173.810 174.600 0.053 0.000 1.196 335 S CA -0.675 57.558 58.200 0.055 0.000 0.856 335 S CB 1.799 65.050 63.200 0.085 0.000 1.212 335 S HN -0.097 nan 8.310 nan 0.000 0.516 336 S N -0.410 115.332 115.700 0.070 0.000 2.537 336 S HA 0.810 4.715 4.470 -0.942 0.000 0.301 336 S C -1.579 173.070 174.600 0.082 0.000 1.092 336 S CA -0.579 57.658 58.200 0.062 0.000 1.048 336 S CB 0.824 64.061 63.200 0.063 0.000 1.053 336 S HN 0.650 nan 8.310 nan 0.000 0.501 337 L N 5.219 126.460 121.223 0.030 0.000 2.362 337 L HA 0.638 4.413 4.340 -0.942 0.000 0.275 337 L C -2.088 174.772 176.870 -0.018 0.000 0.998 337 L CA -1.697 53.125 54.840 -0.030 0.000 0.820 337 L CB 1.453 43.430 42.059 -0.137 0.000 1.270 337 L HN 0.519 nan 8.230 nan 0.000 0.415 338 P HA 0.291 nan 4.420 nan 0.000 0.272 338 P C -0.953 176.320 177.300 -0.045 0.000 1.223 338 P CA -0.530 62.589 63.100 0.031 0.000 0.784 338 P CB 0.615 32.389 31.700 0.123 0.000 0.923 339 A N 2.594 125.397 122.820 -0.028 0.000 2.445 339 A HA 0.246 4.001 4.320 -0.942 0.000 0.242 339 A C 0.528 178.061 177.584 -0.084 0.000 1.075 339 A CA -0.498 51.507 52.037 -0.054 0.000 0.777 339 A CB -0.430 18.550 19.000 -0.033 0.000 1.013 339 A HN 0.575 nan 8.150 nan 0.000 0.493 340 L N 3.639 124.796 121.223 -0.109 0.000 2.499 340 L HA 0.203 3.978 4.340 -0.942 0.000 0.273 340 L C -1.366 175.415 176.870 -0.149 0.000 1.195 340 L CA -1.192 53.559 54.840 -0.149 0.000 0.882 340 L CB 0.007 41.989 42.059 -0.129 0.000 1.133 340 L HN 0.624 nan 8.230 nan 0.000 0.483 341 P HA 0.149 nan 4.420 nan 0.000 0.274 341 P C -0.609 176.608 177.300 -0.139 0.000 1.246 341 P CA -0.579 62.404 63.100 -0.196 0.000 0.795 341 P CB 0.758 32.243 31.700 -0.357 0.000 1.006 342 S N 0.423 116.076 115.700 -0.079 0.000 2.560 342 S HA 0.070 3.975 4.470 -0.942 0.000 0.284 342 S C 1.529 176.100 174.600 -0.049 0.000 1.327 342 S CA -0.392 57.779 58.200 -0.050 0.000 1.055 342 S CB -0.070 63.117 63.200 -0.022 0.000 0.868 342 S HN 0.331 nan 8.310 nan 0.000 0.506 343 L N 0.751 121.952 121.223 -0.037 0.000 2.509 343 L HA 0.188 3.962 4.340 -0.942 0.000 0.222 343 L C 0.914 177.785 176.870 0.001 0.000 1.123 343 L CA 0.196 55.022 54.840 -0.023 0.000 0.856 343 L CB -0.262 41.783 42.059 -0.024 0.000 0.985 343 L HN 0.527 nan 8.230 nan 0.000 0.456 344 E N 0.963 121.164 120.200 0.002 0.000 2.480 344 E HA 0.208 3.993 4.350 -0.942 0.000 0.258 344 E C 1.124 177.739 176.600 0.024 0.000 0.984 344 E CA 1.088 57.495 56.400 0.011 0.000 0.930 344 E CB 0.368 30.073 29.700 0.008 0.000 0.936 344 E HN 0.308 nan 8.360 nan 0.000 0.466 345 G N 3.636 112.452 108.800 0.027 0.000 2.199 345 G HA2 -0.275 3.120 3.960 -0.942 0.000 0.254 345 G HA3 -0.275 3.120 3.960 -0.942 0.000 0.254 345 G C 0.165 175.096 174.900 0.052 0.000 0.982 345 G CA 0.161 45.283 45.100 0.037 0.000 0.632 345 G HN 0.471 nan 8.290 nan 0.000 0.529 346 L N 1.997 123.254 121.223 0.057 0.000 2.416 346 L HA 0.307 4.081 4.340 -0.942 0.000 0.272 346 L C 1.059 177.970 176.870 0.068 0.000 1.161 346 L CA -0.131 54.759 54.840 0.083 0.000 0.845 346 L CB 0.566 42.678 42.059 0.089 0.000 1.119 346 L HN 0.107 nan 8.230 nan 0.000 0.464 347 T N 2.710 117.315 114.554 0.085 0.000 2.902 347 T HA 0.184 3.969 4.350 -0.942 0.000 0.301 347 T C 0.126 174.851 174.700 0.043 0.000 1.012 347 T CA -0.323 61.810 62.100 0.054 0.000 1.151 347 T CB 0.733 69.643 68.868 0.069 0.000 0.946 347 T HN 0.251 nan 8.240 nan 0.000 0.542 348 V N 5.584 125.486 119.914 -0.021 0.000 2.435 348 V HA 0.491 4.045 4.120 -0.942 0.000 0.290 348 V C 0.300 176.282 176.094 -0.186 0.000 1.030 348 V CA -0.860 61.407 62.300 -0.055 0.000 0.881 348 V CB 1.521 33.314 31.823 -0.050 0.000 0.983 348 V HN 0.736 nan 8.190 nan 0.000 0.445 349 R N 3.340 123.657 120.500 -0.305 0.000 2.534 349 R HA 0.580 4.354 4.340 -0.942 0.000 0.301 349 R C -0.990 175.043 176.300 -0.445 0.000 0.961 349 R CA -0.870 54.880 56.100 -0.583 0.000 0.871 349 R CB 2.445 32.000 30.300 -1.241 0.000 1.170 349 R HN 0.610 nan 8.270 nan 0.000 0.446 350 K N 3.038 123.217 120.400 -0.369 0.000 2.213 350 K HA 0.389 4.144 4.320 -0.942 0.000 0.270 350 K C -0.952 175.497 176.600 -0.252 0.000 1.002 350 K CA -0.720 55.417 56.287 -0.249 0.000 0.868 350 K CB 1.182 33.580 32.500 -0.171 0.000 1.093 350 K HN 0.104 nan 8.250 nan 0.000 0.454 351 L N 3.116 124.204 121.223 -0.225 0.000 2.342 351 L HA 0.239 4.014 4.340 -0.942 0.000 0.276 351 L C -0.580 176.184 176.870 -0.177 0.000 0.997 351 L CA -0.478 54.248 54.840 -0.191 0.000 0.838 351 L CB 1.448 43.368 42.059 -0.232 0.000 1.224 351 L HN 0.472 nan 8.230 nan 0.000 0.416 352 Q N 3.329 123.060 119.800 -0.114 0.000 2.360 352 Q HA 0.544 4.319 4.340 -0.942 0.000 0.254 352 Q C -1.107 174.841 176.000 -0.086 0.000 0.975 352 Q CA -0.026 55.720 55.803 -0.096 0.000 0.912 352 Q CB 0.832 29.531 28.738 -0.065 0.000 1.212 352 Q HN 0.555 nan 8.270 nan 0.000 0.452 353 L N 2.684 123.834 121.223 -0.121 0.000 2.395 353 L HA 0.603 4.377 4.340 -0.942 0.000 0.269 353 L C 0.156 176.956 176.870 -0.117 0.000 1.133 353 L CA -0.467 54.289 54.840 -0.139 0.000 0.812 353 L CB 0.987 42.881 42.059 -0.275 0.000 1.125 353 L HN 0.834 nan 8.230 nan 0.000 0.452 354 S N 2.409 118.048 115.700 -0.102 0.000 2.570 354 S HA 0.736 4.641 4.470 -0.942 0.000 0.270 354 S C -0.958 173.604 174.600 -0.063 0.000 1.149 354 S CA -1.017 57.145 58.200 -0.063 0.000 0.837 354 S CB 1.951 65.134 63.200 -0.029 0.000 1.124 354 S HN 0.547 nan 8.310 nan 0.000 0.465 355 M N 2.263 121.842 119.600 -0.036 0.000 2.007 355 M HA 0.325 4.240 4.480 -0.942 0.000 0.285 355 M C -1.392 174.906 176.300 -0.004 0.000 0.893 355 M CA -0.303 54.978 55.300 -0.032 0.000 0.925 355 M CB 1.492 34.068 32.600 -0.040 0.000 1.568 355 M HN 0.777 nan 8.290 nan 0.000 0.414 356 D N 2.949 123.351 120.400 0.002 0.000 3.168 356 D HA 0.450 4.525 4.640 -0.942 0.000 0.255 356 D C 0.686 176.995 176.300 0.015 0.000 1.314 356 D CA 0.817 54.823 54.000 0.010 0.000 0.900 356 D CB 0.277 41.083 40.800 0.010 0.000 1.072 356 D HN 0.856 nan 8.370 nan 0.000 0.487 407 A N 1.566 124.408 122.820 0.037 0.000 2.410 407 A HA 0.601 4.356 4.320 -0.942 0.000 0.292 407 A C -0.272 177.331 177.584 0.031 0.000 1.232 407 A CA -0.128 51.933 52.037 0.040 0.000 0.893 407 A CB -0.149 18.871 19.000 0.034 0.000 1.131 407 A HN 0.240 nan 8.150 nan 0.000 0.530 408 N N 2.397 121.122 118.700 0.041 0.000 2.430 408 N HA 0.528 4.702 4.740 -0.942 0.000 0.292 408 N C -0.529 175.014 175.510 0.054 0.000 1.051 408 N CA -0.101 52.960 53.050 0.017 0.000 0.917 408 N CB 1.652 40.142 38.487 0.004 0.000 1.164 408 N HN 0.637 nan 8.380 nan 0.000 0.484 409 K N 0.957 121.379 120.400 0.036 0.000 2.533 409 K HA 0.601 4.356 4.320 -0.942 0.000 0.272 409 K C -0.889 175.747 176.600 0.059 0.000 0.985 409 K CA -0.628 55.696 56.287 0.062 0.000 0.876 409 K CB 2.187 34.711 32.500 0.041 0.000 1.452 409 K HN 0.342 nan 8.250 nan 0.000 0.439 410 I N 1.866 122.490 120.570 0.089 0.000 2.498 410 I HA 0.218 3.823 4.170 -0.942 0.000 0.290 410 I C -0.533 175.615 176.117 0.053 0.000 1.032 410 I CA -0.914 60.432 61.300 0.077 0.000 1.073 410 I CB 1.710 39.802 38.000 0.153 0.000 1.251 410 I HN 0.621 nan 8.210 nan 0.000 0.426 411 N N 4.551 123.260 118.700 0.015 0.000 2.714 411 N HA -0.201 3.974 4.740 -0.942 0.000 0.252 411 N C 0.892 176.408 175.510 0.011 0.000 1.014 411 N CA 1.411 54.463 53.050 0.004 0.000 0.735 411 N CB -1.047 37.446 38.487 0.008 0.000 0.924 411 N HN 1.179 nan 8.380 nan 0.000 0.540 412 G N -0.880 107.927 108.800 0.011 0.000 2.168 412 G HA2 -0.347 3.048 3.960 -0.942 0.000 0.257 412 G HA3 -0.347 3.048 3.960 -0.942 0.000 0.257 412 G C -0.186 174.726 174.900 0.021 0.000 0.997 412 G CA 0.799 45.906 45.100 0.011 0.000 0.708 412 G HN 0.808 nan 8.290 nan 0.000 0.520 413 Q N -0.345 119.477 119.800 0.036 0.000 2.274 413 Q HA 0.711 4.486 4.340 -0.942 0.000 0.268 413 Q C 0.116 176.161 176.000 0.075 0.000 1.015 413 Q CA -0.195 55.634 55.803 0.042 0.000 0.775 413 Q CB 1.480 30.239 28.738 0.034 0.000 1.256 413 Q HN 1.084 nan 8.270 nan 0.000 0.442 414 A N 3.352 126.217 122.820 0.075 0.000 2.462 414 A HA 0.259 4.014 4.320 -0.942 0.000 0.243 414 A C -0.362 177.312 177.584 0.150 0.000 1.076 414 A CA -0.330 51.781 52.037 0.123 0.000 0.773 414 A CB 0.015 19.079 19.000 0.107 0.000 1.010 414 A HN 0.795 nan 8.150 nan 0.000 0.493 415 F N 2.102 122.093 119.950 0.068 0.000 2.579 415 F HA 0.124 4.092 4.527 -0.932 0.000 0.397 415 F C 0.138 175.935 175.800 -0.004 0.000 1.027 415 F CA 0.615 58.636 58.000 0.036 0.000 1.217 415 F CB 0.230 39.262 39.000 0.054 0.000 0.986 415 F HN 0.564 nan 8.300 nan 0.000 0.551 416 D N 6.690 126.645 120.400 -0.742 0.000 2.471 416 D HA 0.120 4.195 4.640 -0.942 0.000 0.245 416 D C 0.684 176.369 176.300 -1.025 0.000 1.116 416 D CA -0.475 53.097 54.000 -0.713 0.000 0.853 416 D CB 1.281 41.888 40.800 -0.323 0.000 1.123 416 D HN 0.773 nan 8.370 nan 0.000 0.540 417 M N 3.396 122.333 119.600 -1.104 0.000 2.296 417 M HA -0.052 3.863 4.480 -0.942 0.000 0.265 417 M C 0.341 176.396 176.300 -0.409 0.000 1.064 417 M CA 1.261 56.072 55.300 -0.815 0.000 1.109 417 M CB 0.241 32.517 32.600 -0.540 0.000 1.396 417 M HN 0.201 nan 8.290 nan 0.000 0.430 418 N N -0.056 118.443 118.700 -0.336 0.000 2.270 418 N HA 0.053 4.228 4.740 -0.942 0.000 0.198 418 N C -0.360 175.034 175.510 -0.194 0.000 1.117 418 N CA 0.273 53.188 53.050 -0.224 0.000 0.845 418 N CB 0.423 38.806 38.487 -0.174 0.000 0.980 418 N HN 0.061 nan 8.380 nan 0.000 0.486 419 K N 1.681 121.949 120.400 -0.220 0.000 2.701 419 K HA 0.370 4.124 4.320 -0.942 0.000 0.212 419 K C -2.943 173.568 176.600 -0.147 0.000 1.035 419 K CA -1.931 54.261 56.287 -0.159 0.000 1.048 419 K CB 1.349 33.767 32.500 -0.136 0.000 1.234 419 K HN -0.117 nan 8.250 nan 0.000 0.540 420 P HA 0.150 nan 4.420 nan 0.000 0.268 420 P C 0.975 178.205 177.300 -0.117 0.000 1.204 420 P CA -0.067 62.953 63.100 -0.133 0.000 0.768 420 P CB 0.695 32.304 31.700 -0.151 0.000 0.842 421 M N 3.429 122.939 119.600 -0.150 0.000 2.229 421 M HA 0.003 3.918 4.480 -0.942 0.000 0.264 421 M C -0.190 176.149 176.300 0.064 0.000 1.063 421 M CA 1.822 57.092 55.300 -0.050 0.000 1.114 421 M CB -0.029 32.578 32.600 0.011 0.000 1.387 421 M HN 0.411 nan 8.290 nan 0.000 0.420 422 F N -2.891 117.072 119.950 0.021 0.000 2.817 422 F HA 0.691 4.652 4.527 -0.945 0.000 0.317 422 F C -1.515 174.320 175.800 0.058 0.000 1.168 422 F CA -1.587 56.415 58.000 0.003 0.000 0.911 422 F CB 0.612 39.572 39.000 -0.066 0.000 1.337 422 F HN -0.308 nan 8.300 nan 0.000 0.464 423 A N 1.364 124.381 122.820 0.328 0.000 2.277 423 A HA 0.852 4.607 4.320 -0.942 0.000 0.318 423 A C -0.290 177.487 177.584 0.321 0.000 1.339 423 A CA -0.221 51.946 52.037 0.217 0.000 0.875 423 A CB -0.086 18.965 19.000 0.086 0.000 1.158 423 A HN 1.499 nan 8.150 nan 0.000 0.514 424 A N 2.008 125.081 122.820 0.423 0.000 2.351 424 A HA 0.704 4.459 4.320 -0.942 0.000 0.257 424 A C 0.794 178.544 177.584 0.276 0.000 1.087 424 A CA 0.234 52.532 52.037 0.436 0.000 0.798 424 A CB 0.259 19.603 19.000 0.573 0.000 1.033 424 A HN 1.995 nan 8.150 nan 0.000 0.488 425 A N 1.138 124.130 122.820 0.286 0.000 2.340 425 A HA 0.505 4.260 4.320 -0.942 0.000 0.268 425 A C 0.409 178.150 177.584 0.261 0.000 1.100 425 A CA -0.334 51.828 52.037 0.207 0.000 0.803 425 A CB 0.152 19.265 19.000 0.188 0.000 1.043 425 A HN 0.831 nan 8.150 nan 0.000 0.488 426 K N 1.069 121.579 120.400 0.182 0.000 2.234 426 K HA 0.447 4.202 4.320 -0.942 0.000 0.282 426 K C 0.891 177.559 176.600 0.114 0.000 1.039 426 K CA 0.673 57.070 56.287 0.184 0.000 0.928 426 K CB 0.414 32.995 32.500 0.134 0.000 1.039 426 K HN 1.594 nan 8.250 nan 0.000 0.470 427 G N 2.775 111.618 108.800 0.073 0.000 2.176 427 G HA2 -0.206 3.188 3.960 -0.942 0.000 0.252 427 G HA3 -0.206 3.188 3.960 -0.942 0.000 0.252 427 G C -0.493 174.360 174.900 -0.077 0.000 1.024 427 G CA -0.026 45.051 45.100 -0.038 0.000 0.755 427 G HN 0.528 nan 8.290 nan 0.000 0.507 428 Q N -0.806 118.977 119.800 -0.028 0.000 2.337 428 Q HA 0.443 4.218 4.340 -0.942 0.000 0.270 428 Q C -0.407 175.581 176.000 -0.020 0.000 1.043 428 Q CA -0.898 54.893 55.803 -0.019 0.000 0.794 428 Q CB 1.383 30.176 28.738 0.093 0.000 1.281 428 Q HN 0.301 nan 8.270 nan 0.000 0.446 429 Y N 1.188 121.523 120.300 0.059 0.000 2.712 429 Y HA 0.011 3.994 4.550 -0.945 0.000 0.333 429 Y C 0.840 176.784 175.900 0.074 0.000 1.225 429 Y CA 0.817 58.939 58.100 0.037 0.000 1.499 429 Y CB 0.558 39.038 38.460 0.033 0.000 1.288 429 Y HN 0.347 nan 8.280 nan 0.000 0.575 430 E N 2.735 123.082 120.200 0.245 0.000 2.343 430 E HA 0.478 4.262 4.350 -0.942 0.000 0.270 430 E C -0.883 175.855 176.600 0.229 0.000 0.895 430 E CA -1.246 55.312 56.400 0.264 0.000 0.767 430 E CB 2.072 32.032 29.700 0.433 0.000 1.248 430 E HN 0.439 nan 8.360 nan 0.000 0.440 431 R N 1.672 122.312 120.500 0.232 0.000 2.229 431 R HA 0.269 4.044 4.340 -0.942 0.000 0.332 431 R C -1.192 175.292 176.300 0.306 0.000 0.989 431 R CA -0.603 55.603 56.100 0.178 0.000 0.842 431 R CB 0.787 31.134 30.300 0.078 0.000 1.119 431 R HN 0.358 nan 8.270 nan 0.000 0.456 432 W N 2.786 124.023 121.300 -0.106 0.000 2.478 432 W HA 0.344 4.441 4.660 -0.939 0.000 0.318 432 W C -0.365 176.063 176.519 -0.152 0.000 1.062 432 W CA -0.633 56.631 57.345 -0.135 0.000 1.210 432 W CB 1.457 30.846 29.460 -0.120 0.000 1.325 432 W HN 0.115 nan 8.180 nan 0.000 0.496 433 V N 6.233 126.150 119.914 0.005 0.000 2.378 433 V HA 0.414 3.968 4.120 -0.942 0.000 0.288 433 V C -0.391 175.631 176.094 -0.119 0.000 1.016 433 V CA -0.843 61.424 62.300 -0.055 0.000 0.840 433 V CB 0.879 32.660 31.823 -0.069 0.000 0.994 433 V HN 0.227 nan 8.190 nan 0.000 0.431 434 I N 3.990 124.476 120.570 -0.140 0.000 2.389 434 I HA 0.492 4.097 4.170 -0.942 0.000 0.288 434 I C 0.142 176.159 176.117 -0.166 0.000 0.999 434 I CA 0.061 61.207 61.300 -0.256 0.000 1.129 434 I CB 2.042 39.755 38.000 -0.479 0.000 1.288 434 I HN 0.548 nan 8.210 nan 0.000 0.444 435 S N 3.477 119.087 115.700 -0.150 0.000 2.454 435 S HA 0.699 4.603 4.470 -0.942 0.000 0.306 435 S C 0.692 175.255 174.600 -0.062 0.000 1.100 435 S CA -0.377 57.776 58.200 -0.079 0.000 1.087 435 S CB 1.281 64.442 63.200 -0.065 0.000 1.019 435 S HN 0.841 nan 8.310 nan 0.000 0.480 436 G N 2.966 111.770 108.800 0.006 0.000 3.453 436 G HA2 0.273 3.667 3.960 -0.942 0.000 0.263 436 G HA3 0.273 3.667 3.960 -0.942 0.000 0.263 436 G C -0.007 174.930 174.900 0.063 0.000 1.060 436 G CA -0.124 45.015 45.100 0.065 0.000 0.793 436 G HN 0.660 nan 8.290 nan 0.000 0.532 437 V N 0.900 120.829 119.914 0.025 0.000 2.599 437 V HA 0.432 3.986 4.120 -0.942 0.000 0.300 437 V C 1.598 177.703 176.094 0.018 0.000 1.034 437 V CA 1.776 64.088 62.300 0.020 0.000 1.115 437 V CB 0.716 32.541 31.823 0.004 0.000 0.934 437 V HN 0.739 nan 8.190 nan 0.000 0.485 438 G N 4.046 112.862 108.800 0.025 0.000 2.238 438 G HA2 -0.151 3.244 3.960 -0.942 0.000 0.217 438 G HA3 -0.151 3.244 3.960 -0.942 0.000 0.217 438 G C -0.232 174.691 174.900 0.038 0.000 0.996 438 G CA 0.206 45.320 45.100 0.023 0.000 0.632 438 G HN 1.067 nan 8.290 nan 0.000 0.503 439 D N -1.621 118.819 120.400 0.066 0.000 2.583 439 D HA 0.686 4.761 4.640 -0.942 0.000 0.248 439 D C 0.749 177.105 176.300 0.093 0.000 1.209 439 D CA -1.030 53.020 54.000 0.084 0.000 0.848 439 D CB 0.499 41.367 40.800 0.112 0.000 1.431 439 D HN -0.125 nan 8.370 nan 0.000 0.436 440 M N 0.282 119.921 119.600 0.065 0.000 2.404 440 M HA 0.222 4.136 4.480 -0.942 0.000 0.271 440 M C -0.278 176.024 176.300 0.004 0.000 1.128 440 M CA -0.072 55.251 55.300 0.037 0.000 0.982 440 M CB -0.295 32.317 32.600 0.020 0.000 1.445 440 M HN 0.493 nan 8.290 nan 0.000 0.495 441 M N 0.696 120.294 119.600 -0.004 0.000 2.198 441 M HA 0.240 4.154 4.480 -0.942 0.000 0.315 441 M C -0.026 176.067 176.300 -0.344 0.000 1.134 441 M CA -0.682 54.542 55.300 -0.126 0.000 1.171 441 M CB 0.234 32.800 32.600 -0.057 0.000 1.413 441 M HN 0.063 nan 8.290 nan 0.000 0.467 442 L N 3.214 124.252 121.223 -0.309 0.000 2.265 442 L HA 0.280 4.055 4.340 -0.942 0.000 0.288 442 L C -0.832 175.870 176.870 -0.280 0.000 1.058 442 L CA 0.253 54.960 54.840 -0.221 0.000 0.809 442 L CB 0.093 42.098 42.059 -0.090 0.000 1.179 442 L HN 0.438 nan 8.230 nan 0.000 0.429 443 H N 5.412 124.611 119.070 0.215 0.000 2.786 443 H HA 0.350 4.338 4.556 -0.946 0.000 0.284 443 H C -2.454 173.057 175.328 0.305 0.000 1.104 443 H CA -2.123 54.102 56.048 0.296 0.000 1.339 443 H CB 0.920 30.877 29.762 0.325 0.000 1.427 443 H HN 0.461 nan 8.280 nan 0.000 0.497 444 P HA 0.037 nan 4.420 nan 0.000 0.274 444 P C -0.310 177.255 177.300 0.441 0.000 1.291 444 P CA -0.084 63.229 63.100 0.354 0.000 0.815 444 P CB -0.238 31.626 31.700 0.272 0.000 0.897 445 F N 4.434 124.575 119.950 0.319 0.000 2.411 445 F HA 0.338 4.308 4.527 -0.929 0.000 0.355 445 F C 0.416 176.445 175.800 0.382 0.000 1.117 445 F CA -0.278 57.909 58.000 0.311 0.000 1.139 445 F CB 0.468 39.617 39.000 0.249 0.000 1.120 445 F HN 0.323 nan 8.300 nan 0.000 0.493 446 H N 5.992 124.857 119.070 -0.342 0.000 2.495 446 H HA 0.610 4.661 4.556 -0.843 0.000 0.348 446 H C -1.285 173.926 175.328 -0.196 0.000 1.113 446 H CA -0.824 55.156 56.048 -0.113 0.000 1.195 446 H CB 1.091 30.825 29.762 -0.047 0.000 1.521 446 H HN 0.590 nan 8.280 nan 0.000 0.509 447 I N 5.319 125.705 120.570 -0.307 0.000 2.389 447 I HA 0.207 3.811 4.170 -0.942 0.000 0.288 447 I C 0.218 176.219 176.117 -0.193 0.000 0.999 447 I CA -0.638 60.615 61.300 -0.077 0.000 1.129 447 I CB 1.302 39.419 38.000 0.195 0.000 1.288 447 I HN 0.609 nan 8.210 nan 0.000 0.444 448 H N 3.915 122.847 119.070 -0.230 0.000 2.757 448 H HA 0.165 4.160 4.556 -0.935 0.000 0.370 448 H C 1.127 176.311 175.328 -0.241 0.000 1.172 448 H CA 0.553 56.482 56.048 -0.198 0.000 1.426 448 H CB 0.929 30.626 29.762 -0.109 0.000 1.438 448 H HN 0.963 nan 8.280 nan 0.000 0.612 449 G N 1.154 109.818 108.800 -0.226 0.000 2.148 449 G HA2 -0.280 3.115 3.960 -0.942 0.000 0.254 449 G HA3 -0.280 3.115 3.960 -0.942 0.000 0.254 449 G C 0.284 175.157 174.900 -0.045 0.000 0.981 449 G CA 0.626 45.450 45.100 -0.460 0.000 0.670 449 G HN 0.832 nan 8.290 nan 0.000 0.528 450 T N -1.013 113.532 114.554 -0.015 0.000 2.840 450 T HA 0.582 4.367 4.350 -0.942 0.000 0.317 450 T C -1.865 172.785 174.700 -0.082 0.000 1.401 450 T CA -0.437 61.625 62.100 -0.063 0.000 1.028 450 T CB 1.781 70.524 68.868 -0.209 0.000 1.317 450 T HN 0.108 nan 8.240 nan 0.000 0.495 451 Q N 2.819 122.549 119.800 -0.116 0.000 2.327 451 Q HA 0.449 4.224 4.340 -0.942 0.000 0.270 451 Q C -0.884 175.187 176.000 0.119 0.000 1.022 451 Q CA -0.460 55.277 55.803 -0.111 0.000 0.773 451 Q CB 1.281 29.920 28.738 -0.165 0.000 1.251 451 Q HN 0.649 nan 8.270 nan 0.000 0.457 452 F N 0.061 120.129 119.950 0.197 0.000 2.525 452 F HA 0.750 4.720 4.527 -0.929 0.000 0.346 452 F C 0.023 175.948 175.800 0.208 0.000 1.072 452 F CA -1.256 56.848 58.000 0.174 0.000 1.033 452 F CB 0.762 39.754 39.000 -0.013 0.000 1.324 452 F HN 0.064 nan 8.300 nan 0.000 0.491 453 R N 1.382 122.145 120.500 0.439 0.000 2.445 453 R HA 0.494 4.268 4.340 -0.942 0.000 0.308 453 R C -0.910 175.529 176.300 0.230 0.000 0.961 453 R CA -0.775 55.427 56.100 0.170 0.000 0.862 453 R CB 1.756 32.023 30.300 -0.056 0.000 1.144 453 R HN 0.766 nan 8.270 nan 0.000 0.447 454 I N 4.444 125.134 120.570 0.199 0.000 2.396 454 I HA 0.015 3.619 4.170 -0.942 0.000 0.289 454 I C 1.563 177.701 176.117 0.036 0.000 1.056 454 I CA -0.013 61.370 61.300 0.137 0.000 1.365 454 I CB 0.726 38.822 38.000 0.161 0.000 1.407 454 I HN 0.429 nan 8.210 nan 0.000 0.509 455 L N 3.922 125.149 121.223 0.007 0.000 2.145 455 L HA 0.111 3.886 4.340 -0.942 0.000 0.201 455 L C 0.989 177.855 176.870 -0.006 0.000 1.075 455 L CA 0.837 55.669 54.840 -0.014 0.000 0.773 455 L CB -0.133 41.911 42.059 -0.026 0.000 0.936 455 L HN 0.544 nan 8.230 nan 0.000 0.451 456 S N -0.371 115.330 115.700 0.002 0.000 2.614 456 S HA 0.274 4.179 4.470 -0.942 0.000 0.288 456 S C -0.976 173.639 174.600 0.025 0.000 1.137 456 S CA -0.614 57.592 58.200 0.009 0.000 0.992 456 S CB 1.549 64.749 63.200 0.001 0.000 1.026 456 S HN 0.198 nan 8.310 nan 0.000 0.486 457 E N 3.452 123.673 120.200 0.036 0.000 2.102 457 E HA 0.320 4.104 4.350 -0.942 0.000 0.263 457 E C -0.191 176.439 176.600 0.050 0.000 0.894 457 E CA -0.266 56.169 56.400 0.058 0.000 0.746 457 E CB 0.300 30.043 29.700 0.072 0.000 1.129 457 E HN 0.758 nan 8.360 nan 0.000 0.416 458 N N 3.859 122.591 118.700 0.053 0.000 2.710 458 N HA -0.257 3.917 4.740 -0.942 0.000 0.249 458 N C 0.382 175.911 175.510 0.031 0.000 1.059 458 N CA 1.728 54.806 53.050 0.048 0.000 0.720 458 N CB -1.066 37.458 38.487 0.061 0.000 0.983 458 N HN 0.895 nan 8.380 nan 0.000 0.544 459 G N -1.940 106.873 108.800 0.022 0.000 2.179 459 G HA2 -0.260 3.135 3.960 -0.942 0.000 0.220 459 G HA3 -0.260 3.135 3.960 -0.942 0.000 0.220 459 G C -0.208 174.699 174.900 0.011 0.000 0.990 459 G CA 0.402 45.510 45.100 0.013 0.000 0.646 459 G HN 0.616 nan 8.290 nan 0.000 0.517 460 K N 0.205 120.614 120.400 0.014 0.000 2.508 460 K HA 0.556 4.311 4.320 -0.942 0.000 0.260 460 K C -3.069 173.536 176.600 0.008 0.000 0.949 460 K CA -2.311 53.982 56.287 0.010 0.000 0.834 460 K CB 2.751 35.258 32.500 0.011 0.000 1.365 460 K HN -0.086 nan 8.250 nan 0.000 0.437 461 P HA 0.016 nan 4.420 nan 0.000 0.267 461 P C -2.380 174.919 177.300 -0.002 0.000 1.200 461 P CA -0.748 62.351 63.100 -0.002 0.000 0.772 461 P CB -0.300 31.395 31.700 -0.008 0.000 0.855 462 P HA 0.078 nan 4.420 nan 0.000 0.272 462 P C -0.435 176.842 177.300 -0.039 0.000 1.223 462 P CA -0.116 62.975 63.100 -0.015 0.000 0.784 462 P CB 0.437 32.132 31.700 -0.009 0.000 0.923 463 A N 2.271 125.047 122.820 -0.074 0.000 2.507 463 A HA 0.293 4.048 4.320 -0.942 0.000 0.235 463 A C 1.833 179.361 177.584 -0.092 0.000 1.070 463 A CA 0.437 52.427 52.037 -0.078 0.000 0.768 463 A CB -0.608 18.321 19.000 -0.118 0.000 1.011 463 A HN 0.632 nan 8.150 nan 0.000 0.502 464 A N 0.939 123.767 122.820 0.013 0.000 1.903 464 A HA -0.239 3.516 4.320 -0.942 0.000 0.219 464 A C 1.784 179.405 177.584 0.061 0.000 1.191 464 A CA 2.118 54.181 52.037 0.042 0.000 0.638 464 A CB -1.126 17.923 19.000 0.081 0.000 0.823 464 A HN 1.168 nan 8.150 nan 0.000 0.451 465 H N -1.375 117.726 119.070 0.052 0.000 2.555 465 H HA 0.151 4.138 4.556 -0.948 0.000 0.269 465 H C 1.258 176.720 175.328 0.223 0.000 0.988 465 H CA 1.066 57.179 56.048 0.109 0.000 1.178 465 H CB -0.230 29.560 29.762 0.047 0.000 1.373 465 H HN 0.552 nan 8.280 nan 0.000 0.588 466 R N 0.233 120.595 120.500 -0.230 0.000 2.472 466 R HA 0.371 4.145 4.340 -0.942 0.000 0.279 466 R C 1.315 177.603 176.300 -0.021 0.000 0.953 466 R CA 0.444 56.506 56.100 -0.064 0.000 1.088 466 R CB 0.766 30.977 30.300 -0.147 0.000 1.197 466 R HN 0.254 nan 8.270 nan 0.000 0.536 467 A N 0.565 123.360 122.820 -0.041 0.000 2.275 467 A HA 0.270 4.025 4.320 -0.942 0.000 0.212 467 A C 1.154 178.658 177.584 -0.134 0.000 1.201 467 A CA 0.379 52.378 52.037 -0.064 0.000 0.843 467 A CB 0.177 19.141 19.000 -0.061 0.000 0.873 467 A HN 0.326 nan 8.150 nan 0.000 0.492 468 G N -1.020 107.699 108.800 -0.134 0.000 3.182 468 G HA2 0.386 3.780 3.960 -0.942 0.000 0.167 468 G HA3 0.386 3.780 3.960 -0.942 0.000 0.167 468 G C -0.681 174.020 174.900 -0.331 0.000 1.537 468 G CA -0.875 44.041 45.100 -0.306 0.000 1.046 468 G HN 0.424 nan 8.290 nan 0.000 0.580 469 W N 1.393 122.685 121.300 -0.013 0.000 2.335 469 W HA 0.571 4.658 4.660 -0.954 0.000 0.306 469 W C 0.104 176.536 176.519 -0.145 0.000 1.216 469 W CA -0.558 56.748 57.345 -0.066 0.000 1.237 469 W CB 1.077 30.504 29.460 -0.055 0.000 1.243 469 W HN -0.092 nan 8.180 nan 0.000 0.493 470 K N 2.158 122.543 120.400 -0.024 0.000 2.426 470 K HA 0.177 3.932 4.320 -0.942 0.000 0.251 470 K C -0.133 175.973 176.600 -0.825 0.000 0.941 470 K CA -0.651 55.468 56.287 -0.281 0.000 0.808 470 K CB 2.018 34.434 32.500 -0.141 0.000 1.265 470 K HN 0.530 nan 8.250 nan 0.000 0.432 471 D N -1.409 118.689 120.400 -0.503 0.000 2.433 471 D HA 0.079 4.154 4.640 -0.942 0.000 0.211 471 D C -0.445 175.941 176.300 0.144 0.000 1.114 471 D CA -0.027 53.717 54.000 -0.428 0.000 0.837 471 D CB 0.607 41.463 40.800 0.093 0.000 0.984 471 D HN 0.243 nan 8.370 nan 0.000 0.505 472 T N -0.139 114.530 114.554 0.191 0.000 2.912 472 T HA 0.563 4.347 4.350 -0.942 0.000 0.299 472 T C -1.461 173.552 174.700 0.522 0.000 1.052 472 T CA -0.804 61.573 62.100 0.461 0.000 0.996 472 T CB 2.552 71.595 68.868 0.292 0.000 1.070 472 T HN -0.057 nan 8.240 nan 0.000 0.465 473 V N 2.734 122.976 119.914 0.547 0.000 2.686 473 V HA 0.581 4.136 4.120 -0.942 0.000 0.306 473 V C -0.537 175.755 176.094 0.331 0.000 1.065 473 V CA -1.012 61.534 62.300 0.411 0.000 0.894 473 V CB 1.835 33.870 31.823 0.352 0.000 1.004 473 V HN 0.858 nan 8.190 nan 0.000 0.424 474 K N 4.562 125.110 120.400 0.247 0.000 2.447 474 K HA 0.439 4.194 4.320 -0.942 0.000 0.281 474 K C -1.177 175.541 176.600 0.196 0.000 1.031 474 K CA -0.030 56.383 56.287 0.209 0.000 1.019 474 K CB 0.774 33.364 32.500 0.150 0.000 0.918 474 K HN 0.580 nan 8.250 nan 0.000 0.476 475 V N 4.942 124.993 119.914 0.229 0.000 2.443 475 V HA 0.272 3.826 4.120 -0.942 0.000 0.293 475 V C -0.752 175.475 176.094 0.222 0.000 1.021 475 V CA -0.569 61.854 62.300 0.205 0.000 0.848 475 V CB 1.371 33.320 31.823 0.210 0.000 0.998 475 V HN 0.920 nan 8.190 nan 0.000 0.424 476 E N 3.623 123.912 120.200 0.148 0.000 2.738 476 E HA 0.454 4.238 4.350 -0.942 0.000 0.347 476 E C 0.707 177.355 176.600 0.081 0.000 1.077 476 E CA 0.453 56.915 56.400 0.103 0.000 0.755 476 E CB 0.862 30.592 29.700 0.051 0.000 1.576 476 E HN 1.005 nan 8.360 nan 0.000 0.379 477 G N 3.107 111.967 108.800 0.100 0.000 2.189 477 G HA2 -0.304 3.090 3.960 -0.942 0.000 0.267 477 G HA3 -0.304 3.090 3.960 -0.942 0.000 0.267 477 G C 0.259 175.188 174.900 0.049 0.000 0.975 477 G CA 0.684 45.824 45.100 0.067 0.000 0.644 477 G HN 0.536 nan 8.290 nan 0.000 0.537 478 N N -1.569 117.162 118.700 0.052 0.000 3.513 478 N HA 0.679 4.853 4.740 -0.942 0.000 0.351 478 N C -0.923 174.604 175.510 0.027 0.000 1.624 478 N CA 0.258 53.328 53.050 0.032 0.000 0.712 478 N CB 1.700 40.204 38.487 0.029 0.000 2.106 478 N HN 0.247 nan 8.380 nan 0.000 0.649 479 V N 0.605 120.527 119.914 0.013 0.000 2.656 479 V HA 0.571 4.126 4.120 -0.942 0.000 0.307 479 V C -0.380 175.715 176.094 0.001 0.000 1.051 479 V CA -0.609 61.689 62.300 -0.004 0.000 0.893 479 V CB 1.494 33.306 31.823 -0.018 0.000 0.999 479 V HN 0.593 nan 8.190 nan 0.000 0.426 480 S N 2.536 118.231 115.700 -0.008 0.000 2.607 480 S HA 0.700 4.604 4.470 -0.942 0.000 0.303 480 S C -0.774 173.813 174.600 -0.022 0.000 1.086 480 S CA -0.710 57.491 58.200 0.001 0.000 0.995 480 S CB 2.084 65.303 63.200 0.032 0.000 1.084 480 S HN 0.850 nan 8.310 nan 0.000 0.507 481 E N 1.219 121.407 120.200 -0.020 0.000 2.263 481 E HA 0.576 4.360 4.350 -0.942 0.000 0.268 481 E C -1.538 175.028 176.600 -0.057 0.000 0.884 481 E CA -0.767 55.615 56.400 -0.030 0.000 0.766 481 E CB 1.419 31.108 29.700 -0.019 0.000 1.196 481 E HN 0.498 nan 8.360 nan 0.000 0.416 482 V N 1.873 121.723 119.914 -0.107 0.000 2.823 482 V HA 0.643 4.198 4.120 -0.942 0.000 0.312 482 V C -1.187 174.819 176.094 -0.147 0.000 1.072 482 V CA -1.111 61.059 62.300 -0.218 0.000 0.937 482 V CB 1.641 33.031 31.823 -0.722 0.000 1.013 482 V HN 0.637 nan 8.190 nan 0.000 0.430 483 L N 5.656 126.832 121.223 -0.077 0.000 2.264 483 L HA 0.762 4.537 4.340 -0.942 0.000 0.287 483 L C -0.149 176.738 176.870 0.029 0.000 1.039 483 L CA -0.079 54.753 54.840 -0.013 0.000 0.829 483 L CB 1.038 43.084 42.059 -0.022 0.000 1.211 483 L HN 0.923 nan 8.230 nan 0.000 0.427 484 V N 2.351 122.203 119.914 -0.104 0.000 2.769 484 V HA 0.750 4.304 4.120 -0.942 0.000 0.312 484 V C -0.624 175.293 176.094 -0.294 0.000 1.058 484 V CA -0.865 61.250 62.300 -0.308 0.000 0.952 484 V CB 1.778 33.075 31.823 -0.876 0.000 1.019 484 V HN 0.825 nan 8.190 nan 0.000 0.445 485 K N 2.489 122.596 120.400 -0.489 0.000 2.553 485 K HA 0.610 4.364 4.320 -0.942 0.000 0.250 485 K C -2.164 174.103 176.600 -0.554 0.000 0.953 485 K CA -0.522 55.502 56.287 -0.439 0.000 0.800 485 K CB 1.837 34.123 32.500 -0.357 0.000 1.243 485 K HN 0.662 nan 8.250 nan 0.000 0.435 486 F N 3.437 123.401 119.950 0.023 0.000 2.361 486 F HA 0.344 4.302 4.527 -0.948 0.000 0.364 486 F C 0.963 176.776 175.800 0.022 0.000 1.117 486 F CA -0.880 57.168 58.000 0.081 0.000 1.071 486 F CB 1.350 40.495 39.000 0.241 0.000 1.188 486 F HN 0.498 nan 8.300 nan 0.000 0.464 487 N N 1.442 120.176 118.700 0.057 0.000 2.398 487 N HA -0.018 4.157 4.740 -0.942 0.000 0.188 487 N C -0.188 175.018 175.510 -0.507 0.000 1.122 487 N CA 0.413 53.303 53.050 -0.266 0.000 0.866 487 N CB -0.020 38.212 38.487 -0.424 0.000 0.970 487 N HN 0.545 nan 8.380 nan 0.000 0.462 488 H N -0.238 118.967 119.070 0.225 0.000 2.851 488 H HA 0.244 4.234 4.556 -0.942 0.000 0.372 488 H C -0.690 174.776 175.328 0.229 0.000 1.158 488 H CA -0.686 55.485 56.048 0.205 0.000 1.159 488 H CB 1.653 31.542 29.762 0.212 0.000 1.757 488 H HN -0.071 nan 8.280 nan 0.000 0.546 489 D N 1.120 121.657 120.400 0.228 0.000 2.372 489 D HA 0.373 4.448 4.640 -0.942 0.000 0.243 489 D C -0.066 176.184 176.300 -0.084 0.000 1.121 489 D CA 0.017 54.078 54.000 0.103 0.000 0.898 489 D CB 1.377 42.249 40.800 0.121 0.000 1.202 489 D HN 0.585 nan 8.370 nan 0.000 0.428 490 A N 3.036 125.693 122.820 -0.272 0.000 2.499 490 A HA 0.481 4.236 4.320 -0.942 0.000 0.280 490 A C -2.621 174.745 177.584 -0.363 0.000 1.135 490 A CA -1.202 50.502 52.037 -0.555 0.000 0.744 490 A CB 1.621 19.813 19.000 -1.348 0.000 1.213 490 A HN 0.246 nan 8.150 nan 0.000 0.434 491 P HA 0.176 nan 4.420 nan 0.000 0.277 491 P C 0.606 177.700 177.300 -0.343 0.000 1.271 491 P CA -0.436 62.442 63.100 -0.371 0.000 0.795 491 P CB 1.025 32.282 31.700 -0.740 0.000 1.101 492 K N 0.500 120.714 120.400 -0.309 0.000 2.209 492 K HA -0.177 3.578 4.320 -0.942 0.000 0.204 492 K C 1.090 177.502 176.600 -0.314 0.000 1.048 492 K CA 1.726 57.853 56.287 -0.267 0.000 0.940 492 K CB -0.197 32.180 32.500 -0.204 0.000 0.729 492 K HN 0.212 nan 8.250 nan 0.000 0.451 493 E N 0.009 119.965 120.200 -0.406 0.000 2.285 493 E HA -0.041 3.743 4.350 -0.942 0.000 0.194 493 E C 0.024 176.134 176.600 -0.816 0.000 0.997 493 E CA 0.791 56.843 56.400 -0.581 0.000 0.845 493 E CB 0.183 29.476 29.700 -0.677 0.000 0.782 493 E HN 0.400 nan 8.360 nan 0.000 0.491 494 H N -0.476 118.444 119.070 -0.252 0.000 2.439 494 H HA 0.550 4.540 4.556 -0.944 0.000 0.228 494 H C -0.707 174.418 175.328 -0.339 0.000 1.423 494 H CA -0.593 55.311 56.048 -0.239 0.000 1.386 494 H CB 0.112 29.752 29.762 -0.204 0.000 1.641 494 H HN 0.067 nan 8.280 nan 0.000 0.508 495 A N 1.176 123.833 122.820 -0.272 0.000 2.304 495 A HA 0.435 4.190 4.320 -0.942 0.000 0.271 495 A C -0.644 176.682 177.584 -0.429 0.000 1.091 495 A CA -0.341 51.457 52.037 -0.397 0.000 0.812 495 A CB 0.549 19.363 19.000 -0.309 0.000 1.056 495 A HN 0.317 nan 8.150 nan 0.000 0.489 496 Y N 0.621 120.546 120.300 -0.624 0.000 2.304 496 Y HA 0.367 4.355 4.550 -0.936 0.000 0.327 496 Y C 0.778 176.231 175.900 -0.744 0.000 1.209 496 Y CA -0.526 57.123 58.100 -0.751 0.000 1.299 496 Y CB 0.653 38.373 38.460 -1.232 0.000 1.249 496 Y HN 0.425 nan 8.280 nan 0.000 0.519 497 M N 2.129 121.434 119.600 -0.492 0.000 2.423 497 M HA 0.635 4.550 4.480 -0.942 0.000 0.335 497 M C -0.484 175.757 176.300 -0.099 0.000 1.177 497 M CA -0.895 54.122 55.300 -0.471 0.000 1.038 497 M CB 1.461 33.490 32.600 -0.951 0.000 1.641 497 M HN 0.688 nan 8.290 nan 0.000 0.455 498 A N 2.662 125.603 122.820 0.202 0.000 2.359 498 A HA 0.811 4.565 4.320 -0.942 0.000 0.303 498 A C -1.103 176.495 177.584 0.022 0.000 1.066 498 A CA -0.495 51.645 52.037 0.170 0.000 0.730 498 A CB 0.722 20.092 19.000 0.617 0.000 1.211 498 A HN 1.068 nan 8.150 nan 0.000 0.439 499 H N -1.353 117.386 119.070 -0.552 0.000 3.003 499 H HA 0.548 4.535 4.556 -0.948 0.000 0.327 499 H C -0.705 174.435 175.328 -0.314 0.000 1.353 499 H CA -0.720 55.162 56.048 -0.277 0.000 1.142 499 H CB 0.432 30.145 29.762 -0.081 0.000 1.864 499 H HN 0.812 nan 8.280 nan 0.000 0.529 500 C N 2.184 121.633 119.300 0.248 0.000 2.648 500 C HA 0.081 3.976 4.460 -0.942 0.000 0.419 500 C C 1.206 176.441 174.990 0.409 0.000 1.352 500 C CA 0.024 59.279 59.018 0.395 0.000 1.816 500 C CB -0.913 27.153 27.740 0.544 0.000 2.598 500 C HN 1.003 nan 8.230 nan 0.000 0.598 501 H N 4.029 123.270 119.070 0.284 0.000 2.517 501 H HA 0.191 4.278 4.556 -0.782 0.000 0.282 501 H C 0.401 175.861 175.328 0.220 0.000 1.023 501 H CA 0.152 56.379 56.048 0.298 0.000 1.169 501 H CB 0.124 30.045 29.762 0.265 0.000 1.454 501 H HN 0.693 nan 8.280 nan 0.000 0.556 502 L N 2.021 123.405 121.223 0.269 0.000 2.433 502 L HA 0.041 3.815 4.340 -0.942 0.000 0.284 502 L C 0.946 177.857 176.870 0.068 0.000 1.120 502 L CA -0.256 54.636 54.840 0.088 0.000 0.879 502 L CB 0.228 42.212 42.059 -0.123 0.000 1.232 502 L HN 0.226 nan 8.230 nan 0.000 0.454 503 L N 2.872 124.136 121.223 0.070 0.000 2.127 503 L HA -0.196 3.579 4.340 -0.942 0.000 0.211 503 L C 1.832 178.741 176.870 0.065 0.000 1.089 503 L CA 0.951 55.804 54.840 0.023 0.000 0.757 503 L CB -0.266 41.786 42.059 -0.012 0.000 0.899 503 L HN 0.668 nan 8.230 nan 0.000 0.434 504 E N -0.841 119.416 120.200 0.095 0.000 2.150 504 E HA -0.147 3.638 4.350 -0.942 0.000 0.193 504 E C 1.988 178.726 176.600 0.229 0.000 0.985 504 E CA 0.929 57.415 56.400 0.144 0.000 0.814 504 E CB -0.218 29.567 29.700 0.141 0.000 0.752 504 E HN 0.557 nan 8.360 nan 0.000 0.466 505 H N -0.209 118.953 119.070 0.153 0.000 2.326 505 H HA -0.057 3.936 4.556 -0.939 0.000 0.301 505 H C 2.100 177.515 175.328 0.144 0.000 1.081 505 H CA 1.045 57.195 56.048 0.170 0.000 1.334 505 H CB 0.182 30.091 29.762 0.246 0.000 1.385 505 H HN 0.191 nan 8.280 nan 0.000 0.504 506 E N 0.923 121.278 120.200 0.259 0.000 2.049 506 E HA -0.229 3.555 4.350 -0.942 0.000 0.198 506 E C 1.368 178.015 176.600 0.078 0.000 1.007 506 E CA 1.652 58.125 56.400 0.122 0.000 0.809 506 E CB 0.055 29.754 29.700 -0.002 0.000 0.749 506 E HN 0.401 nan 8.360 nan 0.000 0.450 507 D N -0.490 119.952 120.400 0.071 0.000 2.264 507 D HA -0.090 3.984 4.640 -0.942 0.000 0.208 507 D C 1.537 177.885 176.300 0.081 0.000 0.966 507 D CA 1.577 55.607 54.000 0.051 0.000 0.864 507 D CB -0.017 40.801 40.800 0.031 0.000 0.933 507 D HN 0.333 nan 8.370 nan 0.000 0.499 508 T N -3.963 110.666 114.554 0.126 0.000 3.176 508 T HA 0.481 4.265 4.350 -0.942 0.000 0.263 508 T C 1.313 176.100 174.700 0.145 0.000 1.021 508 T CA 0.272 62.445 62.100 0.122 0.000 0.905 508 T CB 0.863 69.805 68.868 0.123 0.000 1.057 508 T HN 0.114 nan 8.240 nan 0.000 0.558 509 G N 1.516 110.426 108.800 0.184 0.000 2.227 509 G HA2 -0.167 3.227 3.960 -0.942 0.000 0.168 509 G HA3 -0.167 3.227 3.960 -0.942 0.000 0.168 509 G C 0.152 175.180 174.900 0.213 0.000 1.006 509 G CA -0.138 45.097 45.100 0.224 0.000 0.684 509 G HN 0.515 nan 8.290 nan 0.000 0.489 510 M N 1.400 121.114 119.600 0.190 0.000 3.706 510 M HA 0.728 4.642 4.480 -0.942 0.000 0.204 510 M C 0.045 176.489 176.300 0.241 0.000 1.455 510 M CA 0.241 55.662 55.300 0.203 0.000 1.659 510 M CB -0.334 32.390 32.600 0.207 0.000 1.076 510 M HN 0.399 nan 8.290 nan 0.000 0.577 511 M N 3.211 122.939 119.600 0.212 0.000 2.471 511 M HA 0.543 4.458 4.480 -0.942 0.000 0.284 511 M C -2.237 174.205 176.300 0.237 0.000 1.203 511 M CA -0.903 54.472 55.300 0.124 0.000 0.915 511 M CB 1.974 34.419 32.600 -0.259 0.000 1.734 511 M HN 0.351 nan 8.290 nan 0.000 0.485 512 L N 1.414 122.778 121.223 0.236 0.000 2.393 512 L HA 1.093 4.868 4.340 -0.942 0.000 0.260 512 L C -0.576 176.441 176.870 0.245 0.000 1.002 512 L CA -0.353 54.678 54.840 0.318 0.000 0.818 512 L CB 1.719 43.922 42.059 0.239 0.000 1.369 512 L HN 0.646 nan 8.230 nan 0.000 0.412 513 G N 0.983 109.939 108.800 0.260 0.000 2.367 513 G HA2 0.666 4.061 3.960 -0.942 0.000 0.314 513 G HA3 0.666 4.061 3.960 -0.942 0.000 0.314 513 G C -1.181 173.700 174.900 -0.031 0.000 1.130 513 G CA -0.432 44.721 45.100 0.090 0.000 0.864 513 G HN 0.884 nan 8.290 nan 0.000 0.486 514 F N -0.164 119.627 119.950 -0.265 0.000 2.599 514 F HA 0.794 4.752 4.527 -0.949 0.000 0.311 514 F C 0.039 175.689 175.800 -0.250 0.000 1.076 514 F CA -1.382 56.356 58.000 -0.437 0.000 0.937 514 F CB 1.288 39.850 39.000 -0.729 0.000 1.282 514 F HN 0.624 nan 8.300 nan 0.000 0.460 515 T N -0.238 114.235 114.554 -0.134 0.000 2.934 515 T HA 0.806 4.590 4.350 -0.942 0.000 0.283 515 T C -0.978 173.713 174.700 -0.015 0.000 1.005 515 T CA -0.755 61.236 62.100 -0.183 0.000 1.041 515 T CB 1.702 70.483 68.868 -0.145 0.000 1.042 515 T HN 0.720 nan 8.240 nan 0.000 0.505 516 V N 1.589 121.454 119.914 -0.082 0.000 2.577 516 V HA 0.749 4.304 4.120 -0.942 0.000 0.303 516 V C 0.827 176.927 176.094 0.010 0.000 1.042 516 V CA 0.387 62.718 62.300 0.052 0.000 0.872 516 V CB 0.716 32.642 31.823 0.170 0.000 0.998 516 V HN 1.622 nan 8.190 nan 0.000 0.423 517 G N 4.127 112.918 108.800 -0.015 0.000 2.681 517 G HA2 -0.121 3.274 3.960 -0.942 0.000 0.220 517 G HA3 -0.121 3.274 3.960 -0.942 0.000 0.220 517 G C -0.704 174.057 174.900 -0.231 0.000 1.353 517 G CA -0.389 44.673 45.100 -0.063 0.000 0.872 517 G HN 0.838 nan 8.290 nan 0.000 0.557 518 H N -0.470 118.673 119.070 0.123 0.000 2.737 518 H HA 0.792 4.783 4.556 -0.941 0.000 0.358 518 H C -0.356 175.075 175.328 0.170 0.000 1.187 518 H CA 0.138 56.262 56.048 0.127 0.000 1.221 518 H CB 2.093 31.946 29.762 0.151 0.000 1.799 518 H HN 0.850 nan 8.280 nan 0.000 0.568 519 H N -0.082 119.058 119.070 0.115 0.000 3.123 519 H HA 0.257 4.248 4.556 -0.942 0.000 0.346 519 H C -1.581 173.627 175.328 -0.200 0.000 1.138 519 H CA -0.306 55.762 56.048 0.034 0.000 1.273 519 H CB 1.100 30.872 29.762 0.017 0.000 1.926 519 H HN 0.560 nan 8.280 nan 0.000 0.524 520 H N 4.025 122.966 119.070 -0.215 0.000 3.240 520 H HA 0.196 4.187 4.556 -0.942 0.000 0.326 520 H C -0.817 174.386 175.328 -0.207 0.000 1.015 520 H CA -0.524 55.474 56.048 -0.082 0.000 1.504 520 H CB 0.895 30.608 29.762 -0.082 0.000 1.754 520 H HN 0.674 nan 8.280 nan 0.000 0.505 521 H N 0.000 119.103 119.070 0.055 0.000 2.539 521 H HA 0.000 3.990 4.556 -0.943 0.000 0.296 521 H CA 0.000 56.079 56.048 0.052 0.000 1.023 521 H CB 0.000 29.826 29.762 0.106 0.000 1.292 521 H HN 0.000 nan 8.280 nan 0.000 0.496