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 1ztm_1_A DATA FIRST_RESID 22 DATA SEQUENCE ITKLQHVGVL VNSPKGMKIS QNFETRYLIL SLIPKIEDSN ScGDQQIKQY DATA SEQUENCE KRLLDRLIIP LYDGLRLQKD VIVXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX SDIEKLKEAI RDTNKAVQSV QSSIGNLIVA DATA SEQUENCE IKSVQDYVNK EIVPSIARLG cEAAGLQLGI ALTQHYSELT NIFGDNIGSL DATA SEQUENCE QEKGIKLQGI ASLYRTNITE IFTTSTVDKY DIYDLLFTES IKVRVIDVDL DATA SEQUENCE NDYSITLQVR LPLLTRLLNT QIYRVDSISY NIQNREWYIP LPSHIMTKGA DATA SEQUENCE FLGGADVKEc IEAFSSYIcP SDPGFVLNHE MEScLSGNIS QcPRTVVKSD DATA SEQUENCE IVPRYAFVNG GVVANcITTT cTcNGIGNRI NQPPDQGVKI ITHKEcNTIG DATA SEQUENCE INGMLFNTNK EGTLAFYTPN DITLNNSVAL DPIDISIELN KAKSDLEESK DATA SEQUENCE EWIRRSNQKL DSI 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 22 I HA 0.000 nan 4.170 nan 0.000 0.288 22 I C 0.000 176.025 176.117 -0.154 0.000 1.063 22 I CA 0.000 61.195 61.300 -0.174 0.000 1.566 22 I CB 0.000 37.814 38.000 -0.310 0.000 1.214 23 T N 1.554 116.018 114.554 -0.149 0.000 2.548 23 T HA 0.439 4.790 4.350 0.002 0.000 0.214 23 T C -0.671 173.952 174.700 -0.128 0.000 0.873 23 T CA -0.703 61.326 62.100 -0.118 0.000 1.180 23 T CB 0.778 69.593 68.868 -0.089 0.000 1.960 23 T HN 0.692 nan 8.240 nan 0.000 0.505 24 K N 2.041 122.372 120.400 -0.115 0.000 2.646 24 K HA 0.525 4.847 4.320 0.002 0.000 0.210 24 K C -0.647 175.851 176.600 -0.171 0.000 1.020 24 K CA -0.546 55.657 56.287 -0.140 0.000 1.040 24 K CB -0.208 32.219 32.500 -0.122 0.000 1.253 24 K HN 0.514 nan 8.250 nan 0.000 0.532 25 L N 0.564 121.681 121.223 -0.176 0.000 3.047 25 L HA 0.335 4.677 4.340 0.002 0.000 0.242 25 L C 0.874 177.611 176.870 -0.221 0.000 1.315 25 L CA -0.722 54.013 54.840 -0.175 0.000 1.042 25 L CB 0.234 42.203 42.059 -0.150 0.000 1.420 25 L HN 0.497 nan 8.230 nan 0.000 0.517 26 Q N -0.584 119.037 119.800 -0.299 0.000 2.137 26 Q HA -0.077 4.264 4.340 0.002 0.000 0.198 26 Q C 1.322 177.197 176.000 -0.208 0.000 0.960 26 Q CA 0.971 56.620 55.803 -0.256 0.000 0.847 26 Q CB 0.011 28.582 28.738 -0.279 0.000 0.915 26 Q HN 0.702 nan 8.270 nan 0.000 0.448 27 H N -0.431 118.595 119.070 -0.074 0.000 2.554 27 H HA -0.064 4.494 4.556 0.002 0.000 0.290 27 H C 1.131 176.383 175.328 -0.127 0.000 1.058 27 H CA 0.864 56.890 56.048 -0.036 0.000 1.224 27 H CB 0.121 29.875 29.762 -0.014 0.000 1.359 27 H HN 0.054 nan 8.280 nan 0.000 0.589 28 V N -1.190 118.546 119.914 -0.297 0.000 3.070 28 V HA 0.284 4.405 4.120 0.002 0.000 0.345 28 V C 1.609 177.105 176.094 -0.997 0.000 1.403 28 V CA 0.425 62.147 62.300 -0.964 0.000 1.155 28 V CB 0.465 31.948 31.823 -0.567 0.000 1.140 28 V HN 0.539 nan 8.190 nan 0.000 0.505 29 G N 1.472 110.003 108.800 -0.448 0.000 2.184 29 G HA2 -0.235 3.726 3.960 0.002 0.000 0.264 29 G HA3 -0.235 3.726 3.960 0.002 0.000 0.264 29 G C 0.379 175.208 174.900 -0.119 0.000 0.975 29 G CA 0.409 45.406 45.100 -0.171 0.000 0.642 29 G HN 1.231 nan 8.290 nan 0.000 0.536 30 V N -0.995 118.813 119.914 -0.177 0.000 2.439 30 V HA 0.835 4.957 4.120 0.002 0.000 0.282 30 V C 0.247 176.276 176.094 -0.108 0.000 1.039 30 V CA -1.210 61.014 62.300 -0.125 0.000 0.913 30 V CB 1.606 33.340 31.823 -0.147 0.000 0.983 30 V HN 0.421 nan 8.190 nan 0.000 0.460 31 L N 6.545 127.726 121.223 -0.070 0.000 2.342 31 L HA 0.638 4.979 4.340 0.002 0.000 0.276 31 L C -0.157 176.687 176.870 -0.043 0.000 0.997 31 L CA -0.876 53.930 54.840 -0.057 0.000 0.838 31 L CB 1.727 43.770 42.059 -0.027 0.000 1.224 31 L HN 0.756 nan 8.230 nan 0.000 0.416 32 V N 0.664 120.542 119.914 -0.061 0.000 2.383 32 V HA 0.562 4.683 4.120 0.002 0.000 0.275 32 V C -0.252 175.869 176.094 0.044 0.000 1.036 32 V CA -0.196 62.083 62.300 -0.036 0.000 0.889 32 V CB 1.008 32.728 31.823 -0.172 0.000 0.985 32 V HN 0.773 nan 8.190 nan 0.000 0.459 33 N N 3.058 121.828 118.700 0.117 0.000 2.636 33 N HA 0.220 4.961 4.740 0.002 0.000 0.268 33 N C 0.377 176.001 175.510 0.191 0.000 1.372 33 N CA -0.212 52.917 53.050 0.133 0.000 0.852 33 N CB -0.303 38.242 38.487 0.097 0.000 1.335 33 N HN 0.702 nan 8.380 nan 0.000 0.386 34 S N 1.833 117.611 115.700 0.130 0.000 3.238 34 S HA 0.024 4.496 4.470 0.002 0.000 0.362 34 S C -1.613 173.015 174.600 0.047 0.000 0.778 34 S CA -0.032 58.218 58.200 0.084 0.000 2.155 34 S CB -1.766 61.485 63.200 0.085 0.000 1.157 34 S HN 0.523 nan 8.310 nan 0.000 0.668 35 P HA 0.330 nan 4.420 nan 0.000 0.271 35 P C -0.053 177.100 177.300 -0.245 0.000 1.220 35 P CA -0.025 62.880 63.100 -0.325 0.000 0.768 35 P CB 0.373 31.904 31.700 -0.282 0.000 0.848 36 K N 1.803 122.045 120.400 -0.263 0.000 2.551 36 K HA 0.606 4.927 4.320 0.002 0.000 0.269 36 K C 0.489 177.041 176.600 -0.080 0.000 0.949 36 K CA -0.510 55.704 56.287 -0.121 0.000 0.849 36 K CB 2.532 35.030 32.500 -0.002 0.000 1.411 36 K HN 0.608 nan 8.250 nan 0.000 0.432 37 G N 0.922 109.686 108.800 -0.058 0.000 2.563 37 G HA2 0.546 4.508 3.960 0.002 0.000 0.283 37 G HA3 0.546 4.508 3.960 0.002 0.000 0.283 37 G C -0.768 174.156 174.900 0.040 0.000 1.309 37 G CA -0.375 44.707 45.100 -0.030 0.000 1.022 37 G HN 0.476 nan 8.290 nan 0.000 0.501 38 M N -0.815 118.800 119.600 0.024 0.000 2.550 38 M HA 0.551 5.032 4.480 0.002 0.000 0.292 38 M C -1.592 174.727 176.300 0.032 0.000 1.221 38 M CA -0.700 54.630 55.300 0.050 0.000 0.873 38 M CB 2.278 34.890 32.600 0.020 0.000 1.727 38 M HN 0.452 nan 8.290 nan 0.000 0.459 39 K N 4.420 124.848 120.400 0.047 0.000 2.498 39 K HA 0.603 4.924 4.320 0.002 0.000 0.254 39 K C -1.294 175.330 176.600 0.040 0.000 0.933 39 K CA -0.762 55.547 56.287 0.036 0.000 0.806 39 K CB 2.714 35.239 32.500 0.041 0.000 1.301 39 K HN 0.736 nan 8.250 nan 0.000 0.432 40 I N -1.030 119.559 120.570 0.031 0.000 2.354 40 I HA 0.381 4.552 4.170 0.002 0.000 0.292 40 I C -0.141 176.003 176.117 0.046 0.000 0.989 40 I CA -0.505 60.816 61.300 0.035 0.000 1.188 40 I CB 1.901 39.915 38.000 0.023 0.000 1.342 40 I HN 0.367 nan 8.210 nan 0.000 0.457 41 S N 5.124 120.859 115.700 0.059 0.000 2.399 41 S HA 0.319 4.790 4.470 0.002 0.000 0.301 41 S C 0.276 174.935 174.600 0.099 0.000 1.093 41 S CA -0.258 57.992 58.200 0.083 0.000 1.077 41 S CB 0.577 63.827 63.200 0.083 0.000 0.980 41 S HN 0.796 nan 8.310 nan 0.000 0.494 42 Q N 2.950 122.814 119.800 0.107 0.000 2.506 42 Q HA 0.266 4.607 4.340 0.002 0.000 0.239 42 Q C -0.373 175.698 176.000 0.118 0.000 0.782 42 Q CA 0.233 56.103 55.803 0.112 0.000 0.972 42 Q CB 0.006 28.776 28.738 0.053 0.000 1.304 42 Q HN 0.586 nan 8.270 nan 0.000 0.534 43 N N 1.379 120.116 118.700 0.062 0.000 2.524 43 N HA 0.442 5.183 4.740 0.002 0.000 0.283 43 N C -0.323 175.263 175.510 0.127 0.000 1.142 43 N CA 0.137 53.168 53.050 -0.032 0.000 0.984 43 N CB 0.803 39.267 38.487 -0.037 0.000 1.155 43 N HN -0.020 nan 8.380 nan 0.000 0.467 44 F N -1.963 118.033 119.950 0.077 0.000 2.713 44 F HA 0.510 5.038 4.527 0.002 0.000 0.311 44 F C -0.594 175.279 175.800 0.122 0.000 1.141 44 F CA -1.247 56.822 58.000 0.114 0.000 0.939 44 F CB 1.244 40.294 39.000 0.083 0.000 1.325 44 F HN 0.291 nan 8.300 nan 0.000 0.453 45 E N 0.478 120.978 120.200 0.500 0.000 2.183 45 E HA 0.599 4.950 4.350 0.002 0.000 0.271 45 E C -1.489 175.288 176.600 0.296 0.000 0.919 45 E CA -0.810 55.794 56.400 0.340 0.000 0.781 45 E CB 1.948 31.839 29.700 0.319 0.000 1.140 45 E HN 0.753 nan 8.360 nan 0.000 0.402 46 T N 4.691 119.396 114.554 0.253 0.000 2.772 46 T HA 0.456 4.808 4.350 0.002 0.000 0.288 46 T C -0.383 174.391 174.700 0.124 0.000 0.994 46 T CA -0.638 61.555 62.100 0.154 0.000 0.951 46 T CB 0.734 69.724 68.868 0.203 0.000 0.933 46 T HN 0.359 nan 8.240 nan 0.000 0.447 47 R N 1.811 122.333 120.500 0.037 0.000 2.832 47 R HA 0.601 4.942 4.340 0.002 0.000 0.271 47 R C -1.316 175.020 176.300 0.060 0.000 0.996 47 R CA -0.928 55.236 56.100 0.107 0.000 0.977 47 R CB 1.705 32.033 30.300 0.046 0.000 1.168 47 R HN 0.490 nan 8.270 nan 0.000 0.482 48 Y N 0.846 121.149 120.300 0.004 0.000 2.409 48 Y HA 0.447 4.998 4.550 0.002 0.000 0.339 48 Y C -0.473 175.419 175.900 -0.013 0.000 1.033 48 Y CA -0.985 57.112 58.100 -0.004 0.000 1.094 48 Y CB 1.662 40.121 38.460 -0.002 0.000 1.210 48 Y HN 0.260 nan 8.280 nan 0.000 0.456 49 L N 4.760 126.043 121.223 0.099 0.000 2.381 49 L HA 0.598 4.939 4.340 0.002 0.000 0.274 49 L C -1.490 175.372 176.870 -0.013 0.000 0.988 49 L CA -0.824 54.032 54.840 0.027 0.000 0.824 49 L CB 1.036 43.091 42.059 -0.007 0.000 1.263 49 L HN 0.431 nan 8.230 nan 0.000 0.410 50 I N 6.031 126.587 120.570 -0.023 0.000 2.321 50 I HA 0.267 4.438 4.170 0.002 0.000 0.291 50 I C -0.650 175.407 176.117 -0.100 0.000 0.998 50 I CA -0.633 60.642 61.300 -0.042 0.000 1.227 50 I CB 1.484 39.478 38.000 -0.010 0.000 1.368 50 I HN 0.439 nan 8.210 nan 0.000 0.466 51 L N 6.390 127.526 121.223 -0.145 0.000 2.264 51 L HA 0.277 4.619 4.340 0.002 0.000 0.289 51 L C 0.383 177.222 176.870 -0.053 0.000 1.044 51 L CA 0.038 54.766 54.840 -0.186 0.000 0.807 51 L CB 1.338 43.206 42.059 -0.319 0.000 1.192 51 L HN 0.627 nan 8.230 nan 0.000 0.425 52 S N 3.584 119.292 115.700 0.014 0.000 2.474 52 S HA 0.500 4.971 4.470 0.002 0.000 0.321 52 S C 0.917 175.630 174.600 0.187 0.000 1.080 52 S CA -0.807 57.443 58.200 0.083 0.000 1.106 52 S CB 0.743 63.981 63.200 0.063 0.000 0.984 52 S HN 0.510 nan 8.310 nan 0.000 0.464 53 L N 2.512 123.863 121.223 0.215 0.000 2.313 53 L HA 0.357 4.698 4.340 0.002 0.000 0.214 53 L C 0.755 177.899 176.870 0.457 0.000 1.119 53 L CA 0.500 55.529 54.840 0.316 0.000 0.809 53 L CB -0.187 42.002 42.059 0.217 0.000 0.933 53 L HN 0.615 nan 8.230 nan 0.000 0.449 54 I N 2.112 122.854 120.570 0.287 0.000 2.478 54 I HA 0.396 4.567 4.170 0.002 0.000 0.287 54 I C -2.359 173.787 176.117 0.047 0.000 1.042 54 I CA -2.205 59.231 61.300 0.227 0.000 1.067 54 I CB 2.224 40.337 38.000 0.188 0.000 1.233 54 I HN -0.111 nan 8.210 nan 0.000 0.431 55 P HA 0.165 nan 4.420 nan 0.000 0.269 55 P C -0.422 176.845 177.300 -0.056 0.000 1.215 55 P CA -0.209 62.828 63.100 -0.105 0.000 0.780 55 P CB 0.349 31.936 31.700 -0.188 0.000 0.898 56 K N 3.003 123.378 120.400 -0.042 0.000 2.402 56 K HA 0.222 4.544 4.320 0.002 0.000 0.285 56 K C 0.194 176.771 176.600 -0.039 0.000 1.054 56 K CA 0.035 56.306 56.287 -0.026 0.000 1.001 56 K CB -0.871 31.617 32.500 -0.019 0.000 0.946 56 K HN 0.486 nan 8.250 nan 0.000 0.473 57 I N 2.276 122.825 120.570 -0.035 0.000 2.378 57 I HA 0.278 4.449 4.170 0.002 0.000 0.291 57 I C 0.093 176.192 176.117 -0.029 0.000 0.992 57 I CA -0.627 60.648 61.300 -0.042 0.000 1.154 57 I CB 1.981 39.949 38.000 -0.053 0.000 1.315 57 I HN 0.819 nan 8.210 nan 0.000 0.448 58 E N 6.925 127.108 120.200 -0.029 0.000 2.220 58 E HA 0.220 4.572 4.350 0.002 0.000 0.256 58 E C -1.643 174.943 176.600 -0.023 0.000 0.881 58 E CA -0.632 55.755 56.400 -0.022 0.000 0.766 58 E CB 1.050 30.739 29.700 -0.018 0.000 1.187 58 E HN 0.608 nan 8.360 nan 0.000 0.419 59 D N 3.706 124.094 120.400 -0.021 0.000 2.389 59 D HA 0.119 4.761 4.640 0.002 0.000 0.256 59 D C 0.400 176.690 176.300 -0.016 0.000 1.239 59 D CA -0.535 53.453 54.000 -0.021 0.000 0.925 59 D CB 1.327 42.113 40.800 -0.024 0.000 1.145 59 D HN 0.325 nan 8.370 nan 0.000 0.542 60 S N 3.076 118.768 115.700 -0.015 0.000 2.427 60 S HA -0.318 4.153 4.470 0.002 0.000 0.261 60 S C 1.326 175.919 174.600 -0.012 0.000 1.091 60 S CA 1.552 59.744 58.200 -0.012 0.000 1.251 60 S CB -0.578 62.615 63.200 -0.012 0.000 1.160 60 S HN 0.673 nan 8.310 nan 0.000 0.436 61 N N 1.926 120.618 118.700 -0.013 0.000 2.515 61 N HA 0.033 4.774 4.740 0.002 0.000 0.191 61 N C 0.308 175.810 175.510 -0.013 0.000 1.182 61 N CA 0.857 53.899 53.050 -0.012 0.000 0.879 61 N CB -0.241 38.238 38.487 -0.013 0.000 0.984 61 N HN 0.687 nan 8.380 nan 0.000 0.453 62 S N -1.457 114.235 115.700 -0.013 0.000 3.631 62 S HA -0.229 4.242 4.470 0.002 0.000 0.366 62 S C 1.205 175.796 174.600 -0.015 0.000 0.993 62 S CA 0.518 58.710 58.200 -0.013 0.000 1.167 62 S CB -2.611 60.582 63.200 -0.010 0.000 0.909 62 S HN 0.472 nan 8.310 nan 0.000 0.478 63 c N 0.520 119.110 118.600 -0.017 0.000 2.476 63 c HA 0.264 4.835 4.570 0.002 0.000 0.278 63 c C 2.840 176.918 174.090 -0.020 0.000 1.274 63 c CA 0.670 56.988 56.329 -0.018 0.000 1.713 63 c CB -1.554 40.944 42.510 -0.019 0.000 2.039 63 c HN 1.013 nan 8.230 nan 0.000 0.484 64 G N 0.130 108.915 108.800 -0.024 0.000 3.234 64 G HA2 -0.061 3.900 3.960 0.002 0.000 0.221 64 G HA3 -0.061 3.900 3.960 0.002 0.000 0.221 64 G C 1.125 176.011 174.900 -0.023 0.000 1.229 64 G CA 0.404 45.487 45.100 -0.028 0.000 0.909 64 G HN 0.610 nan 8.290 nan 0.000 0.510 65 D N 1.434 121.823 120.400 -0.017 0.000 2.075 65 D HA -0.188 4.453 4.640 0.002 0.000 0.196 65 D C 2.444 178.739 176.300 -0.009 0.000 0.985 65 D CA 1.538 55.531 54.000 -0.012 0.000 0.834 65 D CB -0.046 40.749 40.800 -0.010 0.000 0.987 65 D HN 0.430 nan 8.370 nan 0.000 0.452 66 Q N 0.372 120.167 119.800 -0.009 0.000 2.173 66 Q HA -0.229 4.112 4.340 0.002 0.000 0.208 66 Q C 2.094 178.092 176.000 -0.003 0.000 0.989 66 Q CA 1.852 57.651 55.803 -0.006 0.000 0.872 66 Q CB -0.482 28.252 28.738 -0.007 0.000 0.909 66 Q HN 0.271 nan 8.270 nan 0.000 0.420 67 Q N -0.192 119.604 119.800 -0.006 0.000 2.083 67 Q HA -0.030 4.312 4.340 0.002 0.000 0.198 67 Q C 2.241 178.251 176.000 0.017 0.000 0.969 67 Q CA 1.114 56.916 55.803 -0.001 0.000 0.838 67 Q CB -0.083 28.644 28.738 -0.018 0.000 0.900 67 Q HN 0.487 nan 8.270 nan 0.000 0.436 68 I N 1.367 121.940 120.570 0.005 0.000 2.194 68 I HA -0.302 3.869 4.170 0.002 0.000 0.246 68 I C 2.372 178.508 176.117 0.032 0.000 1.093 68 I CA 1.400 62.713 61.300 0.022 0.000 1.355 68 I CB -1.016 36.981 38.000 -0.004 0.000 1.046 68 I HN 0.266 nan 8.210 nan 0.000 0.413 69 K N 0.751 121.158 120.400 0.011 0.000 2.063 69 K HA -0.261 4.060 4.320 0.002 0.000 0.208 69 K C 2.189 178.790 176.600 0.001 0.000 1.048 69 K CA 1.782 58.071 56.287 0.002 0.000 0.928 69 K CB -0.090 32.411 32.500 0.002 0.000 0.713 69 K HN 0.372 nan 8.250 nan 0.000 0.442 70 Q N -0.609 119.200 119.800 0.014 0.000 2.046 70 Q HA -0.213 4.128 4.340 0.002 0.000 0.200 70 Q C 1.981 177.987 176.000 0.010 0.000 0.975 70 Q CA 1.444 57.251 55.803 0.006 0.000 0.836 70 Q CB -0.241 28.504 28.738 0.011 0.000 0.896 70 Q HN 0.429 nan 8.270 nan 0.000 0.428 71 Y N 1.215 121.462 120.300 -0.088 0.000 2.315 71 Y HA -0.177 4.374 4.550 0.002 0.000 0.288 71 Y C 1.653 177.478 175.900 -0.126 0.000 1.154 71 Y CA 1.553 59.590 58.100 -0.104 0.000 1.229 71 Y CB 0.164 38.573 38.460 -0.086 0.000 0.980 71 Y HN 0.028 nan 8.280 nan 0.000 0.540 72 K N -0.687 119.606 120.400 -0.178 0.000 2.116 72 K HA -0.078 4.243 4.320 0.002 0.000 0.203 72 K C 2.576 179.089 176.600 -0.145 0.000 1.052 72 K CA 1.094 57.191 56.287 -0.318 0.000 0.952 72 K CB -0.139 32.208 32.500 -0.254 0.000 0.729 72 K HN 0.227 nan 8.250 nan 0.000 0.446 73 R N 1.220 121.671 120.500 -0.082 0.000 2.120 73 R HA -0.070 4.271 4.340 0.002 0.000 0.234 73 R C 2.048 178.306 176.300 -0.071 0.000 1.123 73 R CA 1.511 57.587 56.100 -0.039 0.000 0.975 73 R CB -1.297 28.986 30.300 -0.029 0.000 0.866 73 R HN 0.176 nan 8.270 nan 0.000 0.446 74 L N 0.279 121.409 121.223 -0.156 0.000 2.056 74 L HA 0.054 4.395 4.340 0.002 0.000 0.207 74 L C 2.372 179.157 176.870 -0.141 0.000 1.078 74 L CA 1.578 56.288 54.840 -0.217 0.000 0.749 74 L CB -0.279 41.546 42.059 -0.389 0.000 0.901 74 L HN 0.382 nan 8.230 nan 0.000 0.433 75 L N -0.552 120.555 121.223 -0.193 0.000 2.017 75 L HA -0.214 4.127 4.340 0.002 0.000 0.208 75 L C 2.342 179.279 176.870 0.112 0.000 1.073 75 L CA 1.446 56.279 54.840 -0.011 0.000 0.745 75 L CB -1.002 40.995 42.059 -0.104 0.000 0.894 75 L HN 0.328 nan 8.230 nan 0.000 0.432 76 D N 0.306 120.779 120.400 0.122 0.000 2.116 76 D HA -0.210 4.432 4.640 0.002 0.000 0.193 76 D C 2.187 178.518 176.300 0.052 0.000 0.998 76 D CA 1.294 55.349 54.000 0.091 0.000 0.836 76 D CB -0.275 40.567 40.800 0.070 0.000 0.951 76 D HN 0.307 nan 8.370 nan 0.000 0.449 77 R N -0.092 120.433 120.500 0.042 0.000 2.303 77 R HA -0.108 4.233 4.340 0.002 0.000 0.225 77 R C 2.015 178.357 176.300 0.070 0.000 1.114 77 R CA 0.310 56.436 56.100 0.043 0.000 1.007 77 R CB -0.082 30.234 30.300 0.028 0.000 0.861 77 R HN 0.179 nan 8.270 nan 0.000 0.471 78 L N -0.172 121.108 121.223 0.096 0.000 2.265 78 L HA 0.033 4.374 4.340 0.002 0.000 0.195 78 L C 1.842 178.749 176.870 0.062 0.000 1.083 78 L CA 1.199 56.098 54.840 0.098 0.000 0.798 78 L CB -0.184 41.960 42.059 0.142 0.000 0.989 78 L HN -0.087 nan 8.230 nan 0.000 0.472 79 I N 0.508 121.114 120.570 0.059 0.000 2.142 79 I HA -0.239 3.932 4.170 0.002 0.000 0.240 79 I C 2.559 178.700 176.117 0.039 0.000 1.078 79 I CA 1.146 62.467 61.300 0.034 0.000 1.343 79 I CB -1.148 36.852 38.000 -0.001 0.000 1.046 79 I HN 0.192 nan 8.210 nan 0.000 0.405 80 I N 1.181 121.763 120.570 0.019 0.000 2.145 80 I HA -0.234 3.937 4.170 0.002 0.000 0.244 80 I C -0.065 176.121 176.117 0.115 0.000 1.075 80 I CA 2.059 63.383 61.300 0.040 0.000 1.332 80 I CB -2.948 35.061 38.000 0.014 0.000 1.033 80 I HN 0.170 nan 8.210 nan 0.000 0.410 81 P HA -0.114 nan 4.420 nan 0.000 0.217 81 P C 2.100 179.442 177.300 0.070 0.000 1.151 81 P CA 0.807 63.948 63.100 0.068 0.000 0.828 81 P CB -0.047 31.680 31.700 0.046 0.000 0.788 82 L N -1.760 119.507 121.223 0.073 0.000 2.201 82 L HA -0.130 4.211 4.340 0.002 0.000 0.212 82 L C 2.185 179.107 176.870 0.087 0.000 1.105 82 L CA 1.631 56.506 54.840 0.059 0.000 0.775 82 L CB -1.382 40.707 42.059 0.050 0.000 0.913 82 L HN -0.065 nan 8.230 nan 0.000 0.440 83 Y N 0.316 120.604 120.300 -0.020 0.000 2.114 83 Y HA -0.167 4.384 4.550 0.002 0.000 0.284 83 Y C 2.292 178.181 175.900 -0.018 0.000 1.119 83 Y CA 1.856 59.942 58.100 -0.024 0.000 1.108 83 Y CB -0.443 37.996 38.460 -0.034 0.000 0.995 83 Y HN 0.244 nan 8.280 nan 0.000 0.491 84 D N 0.004 120.455 120.400 0.085 0.000 2.170 84 D HA -0.234 4.408 4.640 0.002 0.000 0.193 84 D C 2.260 178.500 176.300 -0.099 0.000 1.004 84 D CA 1.726 55.703 54.000 -0.038 0.000 0.860 84 D CB -0.925 39.907 40.800 0.052 0.000 0.931 84 D HN 0.595 nan 8.370 nan 0.000 0.448 85 G N 0.664 109.434 108.800 -0.051 0.000 2.404 85 G HA2 -0.183 3.779 3.960 0.002 0.000 0.215 85 G HA3 -0.183 3.779 3.960 0.002 0.000 0.215 85 G C 1.859 176.707 174.900 -0.086 0.000 1.174 85 G CA 0.217 45.285 45.100 -0.052 0.000 0.780 85 G HN 0.256 nan 8.290 nan 0.000 0.537 86 L N 0.548 121.705 121.223 -0.109 0.000 2.131 86 L HA -0.063 4.278 4.340 0.002 0.000 0.210 86 L C 3.620 180.383 176.870 -0.179 0.000 1.092 86 L CA 1.412 56.179 54.840 -0.122 0.000 0.759 86 L CB -0.376 41.621 42.059 -0.104 0.000 0.903 86 L HN 0.355 nan 8.230 nan 0.000 0.435 87 R N 0.174 120.497 120.500 -0.294 0.000 2.090 87 R HA -0.095 4.246 4.340 0.002 0.000 0.228 87 R C 1.965 178.169 176.300 -0.160 0.000 1.110 87 R CA 1.544 57.469 56.100 -0.292 0.000 0.973 87 R CB -1.352 28.682 30.300 -0.443 0.000 0.869 87 R HN 0.400 nan 8.270 nan 0.000 0.440 88 L N 0.040 121.187 121.223 -0.127 0.000 2.027 88 L HA -0.172 4.169 4.340 0.002 0.000 0.206 88 L C 2.943 179.775 176.870 -0.064 0.000 1.074 88 L CA 2.261 57.054 54.840 -0.078 0.000 0.745 88 L CB -0.239 41.785 42.059 -0.058 0.000 0.898 88 L HN 0.591 nan 8.230 nan 0.000 0.433 89 Q N 0.072 119.833 119.800 -0.065 0.000 2.030 89 Q HA -0.312 4.030 4.340 0.002 0.000 0.204 89 Q C 2.387 178.359 176.000 -0.047 0.000 0.986 89 Q CA 2.974 58.747 55.803 -0.049 0.000 0.843 89 Q CB -0.180 28.530 28.738 -0.046 0.000 0.904 89 Q HN 0.514 nan 8.270 nan 0.000 0.420 90 K N 1.056 121.420 120.400 -0.059 0.000 2.063 90 K HA -0.228 4.094 4.320 0.002 0.000 0.208 90 K C 1.653 178.226 176.600 -0.044 0.000 1.048 90 K CA 1.770 58.027 56.287 -0.050 0.000 0.928 90 K CB -1.306 31.157 32.500 -0.062 0.000 0.713 90 K HN 0.578 nan 8.250 nan 0.000 0.442 91 D N 0.267 120.636 120.400 -0.053 0.000 2.133 91 D HA -0.127 4.514 4.640 0.002 0.000 0.195 91 D C 1.818 178.099 176.300 -0.030 0.000 0.997 91 D CA 1.831 55.806 54.000 -0.043 0.000 0.840 91 D CB 0.099 40.870 40.800 -0.048 0.000 0.947 91 D HN 0.252 nan 8.370 nan 0.000 0.452 92 V N 0.987 120.883 119.914 -0.030 0.000 2.300 92 V HA -0.125 3.996 4.120 0.002 0.000 0.241 92 V C 2.731 178.814 176.094 -0.018 0.000 1.034 92 V CA 0.663 62.950 62.300 -0.022 0.000 1.021 92 V CB -0.310 31.500 31.823 -0.022 0.000 0.662 92 V HN 0.181 nan 8.190 nan 0.000 0.458 93 I N -0.100 120.459 120.570 -0.019 0.000 2.185 93 I HA -0.210 3.962 4.170 0.002 0.000 0.246 93 I C 0.975 177.086 176.117 -0.011 0.000 1.088 93 I CA 1.368 62.660 61.300 -0.014 0.000 1.347 93 I CB -0.156 37.836 38.000 -0.014 0.000 1.041 93 I HN 0.169 nan 8.210 nan 0.000 0.415 143 D N 1.904 122.303 120.400 -0.002 0.000 2.001 143 D HA 0.153 4.795 4.640 0.002 0.000 0.348 143 D C 1.385 177.684 176.300 -0.002 0.000 1.074 143 D CA 0.018 54.017 54.000 -0.002 0.000 0.928 143 D CB 0.360 41.158 40.800 -0.002 0.000 1.823 143 D HN 0.467 nan 8.370 nan 0.000 0.540 144 I N 2.110 122.679 120.570 -0.002 0.000 2.286 144 I HA -0.119 4.052 4.170 0.002 0.000 0.245 144 I C 1.905 178.020 176.117 -0.002 0.000 1.104 144 I CA 1.160 62.459 61.300 -0.001 0.000 1.397 144 I CB -0.630 37.370 38.000 -0.001 0.000 1.072 144 I HN 0.124 nan 8.210 nan 0.000 0.417 145 E N 1.167 121.365 120.200 -0.002 0.000 2.209 145 E HA -0.242 4.109 4.350 0.002 0.000 0.196 145 E C 2.338 178.935 176.600 -0.004 0.000 0.993 145 E CA 1.788 58.187 56.400 -0.003 0.000 0.819 145 E CB -0.250 29.448 29.700 -0.003 0.000 0.745 145 E HN 0.557 nan 8.360 nan 0.000 0.477 146 K N 0.911 121.308 120.400 -0.004 0.000 2.062 146 K HA -0.043 4.279 4.320 0.002 0.000 0.205 146 K C 1.922 178.518 176.600 -0.006 0.000 1.051 146 K CA 1.091 57.375 56.287 -0.005 0.000 0.941 146 K CB -0.880 31.616 32.500 -0.005 0.000 0.719 146 K HN -0.013 nan 8.250 nan 0.000 0.440 147 L N 1.037 122.257 121.223 -0.005 0.000 2.141 147 L HA 0.002 4.344 4.340 0.002 0.000 0.209 147 L C 2.558 179.425 176.870 -0.005 0.000 1.094 147 L CA 2.095 56.932 54.840 -0.005 0.000 0.763 147 L CB -0.308 41.749 42.059 -0.003 0.000 0.908 147 L HN 0.549 nan 8.230 nan 0.000 0.437 148 K N -0.153 120.245 120.400 -0.004 0.000 1.973 148 K HA -0.212 4.109 4.320 0.002 0.000 0.212 148 K C 2.003 178.600 176.600 -0.005 0.000 1.047 148 K CA 2.016 58.300 56.287 -0.004 0.000 0.937 148 K CB -0.213 32.286 32.500 -0.003 0.000 0.721 148 K HN 0.323 nan 8.250 nan 0.000 0.440 149 E N 0.355 120.552 120.200 -0.005 0.000 2.333 149 E HA -0.086 4.266 4.350 0.002 0.000 0.198 149 E C 1.702 178.297 176.600 -0.009 0.000 1.007 149 E CA 1.299 57.695 56.400 -0.007 0.000 0.845 149 E CB -0.694 29.002 29.700 -0.007 0.000 0.766 149 E HN 0.613 nan 8.360 nan 0.000 0.507 150 A N 0.234 123.049 122.820 -0.009 0.000 2.014 150 A HA 0.093 4.415 4.320 0.002 0.000 0.218 150 A C 2.252 179.828 177.584 -0.012 0.000 1.163 150 A CA 1.284 53.313 52.037 -0.012 0.000 0.652 150 A CB -0.103 18.889 19.000 -0.013 0.000 0.808 150 A HN 0.467 nan 8.150 nan 0.000 0.449 151 I N -0.551 120.013 120.570 -0.009 0.000 2.235 151 I HA -0.109 4.062 4.170 0.002 0.000 0.241 151 I C 2.428 178.541 176.117 -0.008 0.000 1.085 151 I CA 0.875 62.170 61.300 -0.008 0.000 1.378 151 I CB -1.233 36.764 38.000 -0.004 0.000 1.076 151 I HN 0.283 nan 8.210 nan 0.000 0.415 152 R N 1.324 121.820 120.500 -0.007 0.000 2.113 152 R HA -0.236 4.105 4.340 0.002 0.000 0.244 152 R C 2.064 178.359 176.300 -0.008 0.000 1.142 152 R CA 2.109 58.205 56.100 -0.006 0.000 0.953 152 R CB -1.638 28.659 30.300 -0.006 0.000 0.860 152 R HN 0.601 nan 8.270 nan 0.000 0.438 153 D N 0.048 120.442 120.400 -0.010 0.000 2.095 153 D HA -0.207 4.435 4.640 0.002 0.000 0.192 153 D C 1.778 178.069 176.300 -0.014 0.000 0.990 153 D CA 2.270 56.262 54.000 -0.013 0.000 0.836 153 D CB -1.182 39.609 40.800 -0.015 0.000 0.979 153 D HN 0.328 nan 8.370 nan 0.000 0.447 154 T N -0.430 114.114 114.554 -0.017 0.000 2.721 154 T HA -0.246 4.106 4.350 0.002 0.000 0.268 154 T C 1.985 176.677 174.700 -0.013 0.000 1.038 154 T CA 2.173 64.262 62.100 -0.018 0.000 1.145 154 T CB -0.669 68.187 68.868 -0.020 0.000 0.858 154 T HN 0.342 nan 8.240 nan 0.000 0.459 155 N N 0.824 119.518 118.700 -0.009 0.000 2.039 155 N HA -0.038 4.704 4.740 0.002 0.000 0.193 155 N C 2.383 177.889 175.510 -0.006 0.000 1.044 155 N CA 2.283 55.330 53.050 -0.006 0.000 0.847 155 N CB -0.819 37.665 38.487 -0.004 0.000 1.030 155 N HN 0.640 nan 8.380 nan 0.000 0.422 156 K N 0.825 121.221 120.400 -0.007 0.000 2.211 156 K HA 0.057 4.379 4.320 0.002 0.000 0.204 156 K C 2.119 178.714 176.600 -0.008 0.000 1.047 156 K CA 1.627 57.910 56.287 -0.007 0.000 0.935 156 K CB -1.165 31.330 32.500 -0.007 0.000 0.728 156 K HN 0.367 nan 8.250 nan 0.000 0.452 157 A N 0.417 123.231 122.820 -0.010 0.000 1.930 157 A HA 0.068 4.389 4.320 0.002 0.000 0.217 157 A C 2.560 180.138 177.584 -0.009 0.000 1.175 157 A CA 1.611 53.641 52.037 -0.012 0.000 0.627 157 A CB -0.272 18.718 19.000 -0.018 0.000 0.815 157 A HN 0.315 nan 8.150 nan 0.000 0.443 158 V N 0.044 119.954 119.914 -0.007 0.000 2.453 158 V HA -0.274 3.847 4.120 0.002 0.000 0.247 158 V C 2.508 178.601 176.094 -0.002 0.000 1.048 158 V CA 2.047 64.345 62.300 -0.004 0.000 1.049 158 V CB -0.898 30.924 31.823 -0.001 0.000 0.672 158 V HN 0.638 nan 8.190 nan 0.000 0.457 159 Q N 0.452 120.251 119.800 -0.003 0.000 2.226 159 Q HA -0.164 4.177 4.340 0.002 0.000 0.204 159 Q C 2.399 178.397 176.000 -0.003 0.000 0.975 159 Q CA 1.822 57.624 55.803 -0.002 0.000 0.866 159 Q CB -0.222 28.515 28.738 -0.003 0.000 0.915 159 Q HN 0.824 nan 8.270 nan 0.000 0.440 160 S N -0.594 115.103 115.700 -0.004 0.000 2.404 160 S HA -0.022 4.449 4.470 0.002 0.000 0.223 160 S C 1.967 176.565 174.600 -0.003 0.000 1.040 160 S CA 0.355 58.553 58.200 -0.004 0.000 0.957 160 S CB -0.446 62.751 63.200 -0.006 0.000 0.826 160 S HN 0.159 nan 8.310 nan 0.000 0.491 161 V N 2.062 121.974 119.914 -0.003 0.000 2.828 161 V HA -0.183 3.938 4.120 0.002 0.000 0.260 161 V C 2.491 178.586 176.094 0.000 0.000 1.101 161 V CA 1.852 64.151 62.300 -0.002 0.000 1.123 161 V CB -0.742 31.080 31.823 -0.001 0.000 0.704 161 V HN 0.570 nan 8.190 nan 0.000 0.493 162 Q N -0.091 119.709 119.800 0.000 0.000 1.961 162 Q HA -0.132 4.210 4.340 0.002 0.000 0.197 162 Q C 2.446 178.446 176.000 0.001 0.000 0.977 162 Q CA 1.850 57.654 55.803 0.001 0.000 0.830 162 Q CB -0.485 28.254 28.738 0.001 0.000 0.896 162 Q HN 0.779 nan 8.270 nan 0.000 0.437 163 S N 0.872 116.572 115.700 -0.000 0.000 2.423 163 S HA -0.242 4.230 4.470 0.002 0.000 0.238 163 S C 2.065 176.664 174.600 -0.001 0.000 1.028 163 S CA 1.502 59.701 58.200 -0.001 0.000 1.000 163 S CB -0.509 62.690 63.200 -0.002 0.000 0.797 163 S HN 0.314 nan 8.310 nan 0.000 0.487 164 S N 1.951 117.650 115.700 -0.001 0.000 2.344 164 S HA -0.082 4.389 4.470 0.002 0.000 0.217 164 S C 1.898 176.498 174.600 -0.000 0.000 1.033 164 S CA 1.379 59.578 58.200 -0.001 0.000 1.017 164 S CB -0.588 62.611 63.200 -0.001 0.000 0.941 164 S HN 0.480 nan 8.310 nan 0.000 0.430 165 I N 2.046 122.617 120.570 0.001 0.000 2.208 165 I HA -0.118 4.054 4.170 0.002 0.000 0.245 165 I C 2.781 178.899 176.117 0.002 0.000 1.097 165 I CA 1.614 62.915 61.300 0.002 0.000 1.363 165 I CB -2.232 35.770 38.000 0.004 0.000 1.051 165 I HN 0.513 nan 8.210 nan 0.000 0.413 166 G N 0.878 109.679 108.800 0.001 0.000 2.527 166 G HA2 -0.243 3.718 3.960 0.002 0.000 0.219 166 G HA3 -0.243 3.718 3.960 0.002 0.000 0.219 166 G C 1.514 176.415 174.900 0.001 0.000 1.117 166 G CA 0.592 45.693 45.100 0.001 0.000 0.759 166 G HN 0.389 nan 8.290 nan 0.000 0.556 167 N N -0.265 118.435 118.700 -0.000 0.000 2.482 167 N HA 0.129 4.870 4.740 0.002 0.000 0.179 167 N C 2.251 177.760 175.510 -0.002 0.000 1.039 167 N CA -0.029 53.020 53.050 -0.001 0.000 0.884 167 N CB 0.014 38.499 38.487 -0.003 0.000 1.113 167 N HN 0.220 nan 8.380 nan 0.000 0.440 168 L N 1.933 123.156 121.223 -0.001 0.000 2.131 168 L HA -0.116 4.225 4.340 0.002 0.000 0.210 168 L C 2.369 179.240 176.870 0.001 0.000 1.092 168 L CA 0.947 55.786 54.840 -0.001 0.000 0.759 168 L CB -0.646 41.413 42.059 0.000 0.000 0.903 168 L HN 0.201 nan 8.230 nan 0.000 0.435 169 I N -3.005 117.567 120.570 0.002 0.000 2.163 169 I HA -0.172 3.999 4.170 0.002 0.000 0.240 169 I C 2.445 178.565 176.117 0.004 0.000 1.081 169 I CA 1.151 62.453 61.300 0.004 0.000 1.353 169 I CB -0.837 37.166 38.000 0.004 0.000 1.054 169 I HN -0.128 nan 8.210 nan 0.000 0.407 170 V N 2.124 122.039 119.914 0.003 0.000 2.332 170 V HA -0.297 3.824 4.120 0.002 0.000 0.248 170 V C 3.184 179.280 176.094 0.003 0.000 1.055 170 V CA 2.171 64.473 62.300 0.004 0.000 1.038 170 V CB -1.434 30.391 31.823 0.002 0.000 0.651 170 V HN 0.626 nan 8.190 nan 0.000 0.450 171 A N 0.359 123.178 122.820 -0.001 0.000 1.851 171 A HA -0.203 4.119 4.320 0.002 0.000 0.216 171 A C 2.169 179.752 177.584 -0.002 0.000 1.195 171 A CA 2.087 54.121 52.037 -0.006 0.000 0.622 171 A CB -0.601 18.393 19.000 -0.010 0.000 0.831 171 A HN 0.389 nan 8.150 nan 0.000 0.444 172 I N 0.007 120.578 120.570 0.002 0.000 2.264 172 I HA -0.222 3.949 4.170 0.002 0.000 0.248 172 I C 2.380 178.505 176.117 0.014 0.000 1.111 172 I CA 1.818 63.122 61.300 0.007 0.000 1.382 172 I CB -1.094 36.910 38.000 0.007 0.000 1.060 172 I HN 0.440 nan 8.210 nan 0.000 0.418 173 K N 0.300 120.708 120.400 0.014 0.000 2.025 173 K HA -0.163 4.158 4.320 0.002 0.000 0.207 173 K C 2.392 179.009 176.600 0.029 0.000 1.049 173 K CA 1.552 57.851 56.287 0.019 0.000 0.933 173 K CB -0.016 32.493 32.500 0.015 0.000 0.714 173 K HN 0.091 nan 8.250 nan 0.000 0.438 174 S N 0.297 116.012 115.700 0.024 0.000 2.374 174 S HA -0.136 4.336 4.470 0.002 0.000 0.227 174 S C 1.919 176.554 174.600 0.059 0.000 1.037 174 S CA 1.449 59.670 58.200 0.035 0.000 1.024 174 S CB -0.210 62.997 63.200 0.012 0.000 0.861 174 S HN 0.192 nan 8.310 nan 0.000 0.456 175 V N 1.774 121.710 119.914 0.038 0.000 2.287 175 V HA -0.227 3.894 4.120 0.002 0.000 0.248 175 V C 2.616 178.773 176.094 0.106 0.000 1.053 175 V CA 2.348 64.682 62.300 0.057 0.000 1.027 175 V CB -0.860 30.979 31.823 0.026 0.000 0.646 175 V HN 0.580 nan 8.190 nan 0.000 0.447 176 Q N 0.006 119.847 119.800 0.068 0.000 1.985 176 Q HA -0.293 4.049 4.340 0.002 0.000 0.207 176 Q C 2.050 178.091 176.000 0.069 0.000 0.996 176 Q CA 2.417 58.255 55.803 0.059 0.000 0.851 176 Q CB -0.301 28.459 28.738 0.036 0.000 0.921 176 Q HN 0.677 nan 8.270 nan 0.000 0.418 177 D N -0.520 119.921 120.400 0.068 0.000 2.190 177 D HA -0.196 4.445 4.640 0.002 0.000 0.200 177 D C 1.651 178.001 176.300 0.085 0.000 0.992 177 D CA 1.047 55.084 54.000 0.060 0.000 0.854 177 D CB -0.482 40.350 40.800 0.054 0.000 0.936 177 D HN 0.375 nan 8.370 nan 0.000 0.462 178 Y N 2.059 122.359 120.300 -0.001 0.000 2.070 178 Y HA -0.238 4.312 4.550 0.001 0.000 0.279 178 Y C 2.422 178.321 175.900 -0.001 0.000 1.134 178 Y CA 1.120 59.220 58.100 -0.001 0.000 1.113 178 Y CB -0.610 37.850 38.460 -0.001 0.000 0.981 178 Y HN -0.225 nan 8.280 nan 0.000 0.487 179 V N 1.499 121.478 119.914 0.107 0.000 2.363 179 V HA -0.417 3.704 4.120 0.002 0.000 0.254 179 V C 1.993 178.046 176.094 -0.068 0.000 1.074 179 V CA 2.354 64.655 62.300 0.003 0.000 1.069 179 V CB -0.722 31.139 31.823 0.063 0.000 0.659 179 V HN 0.534 nan 8.190 nan 0.000 0.455 180 N N -0.378 118.297 118.700 -0.043 0.000 2.336 180 N HA -0.074 4.667 4.740 0.002 0.000 0.177 180 N C 1.864 177.330 175.510 -0.074 0.000 1.018 180 N CA 1.030 54.052 53.050 -0.046 0.000 0.878 180 N CB -0.127 38.350 38.487 -0.017 0.000 0.997 180 N HN 0.522 nan 8.380 nan 0.000 0.433 181 K N 0.540 120.884 120.400 -0.094 0.000 2.314 181 K HA 0.016 4.337 4.320 0.002 0.000 0.198 181 K C 0.830 177.332 176.600 -0.164 0.000 1.045 181 K CA 0.839 57.067 56.287 -0.099 0.000 0.988 181 K CB 0.487 32.950 32.500 -0.061 0.000 0.783 181 K HN 0.014 nan 8.250 nan 0.000 0.484 182 E N 0.109 120.130 120.200 -0.299 0.000 2.870 182 E HA 0.064 4.415 4.350 0.002 0.000 0.185 182 E C 2.046 178.474 176.600 -0.287 0.000 1.084 182 E CA 0.164 56.351 56.400 -0.354 0.000 1.246 182 E CB -0.394 28.915 29.700 -0.652 0.000 1.382 182 E HN 0.100 nan 8.360 nan 0.000 0.492 183 I N 1.756 122.112 120.570 -0.356 0.000 2.091 183 I HA -0.272 3.899 4.170 0.002 0.000 0.239 183 I C 2.602 178.658 176.117 -0.102 0.000 1.061 183 I CA 1.221 62.414 61.300 -0.178 0.000 1.317 183 I CB -0.526 37.407 38.000 -0.112 0.000 1.031 183 I HN -0.083 nan 8.210 nan 0.000 0.401 184 V N 1.248 121.108 119.914 -0.090 0.000 2.231 184 V HA -0.218 3.903 4.120 0.002 0.000 0.248 184 V C -0.139 175.922 176.094 -0.055 0.000 1.054 184 V CA 2.517 64.783 62.300 -0.057 0.000 1.015 184 V CB -1.728 30.067 31.823 -0.046 0.000 0.638 184 V HN 0.280 nan 8.190 nan 0.000 0.444 185 P HA -0.143 nan 4.420 nan 0.000 0.216 185 P C 2.023 179.293 177.300 -0.050 0.000 1.153 185 P CA 2.048 65.114 63.100 -0.055 0.000 0.858 185 P CB -0.103 31.558 31.700 -0.065 0.000 0.789 186 S N -0.546 115.118 115.700 -0.060 0.000 2.354 186 S HA -0.164 4.307 4.470 0.002 0.000 0.219 186 S C 1.909 176.488 174.600 -0.034 0.000 1.035 186 S CA 1.226 59.398 58.200 -0.047 0.000 1.037 186 S CB -1.242 61.927 63.200 -0.052 0.000 0.956 186 S HN 0.052 nan 8.310 nan 0.000 0.428 187 I N 2.128 122.678 120.570 -0.034 0.000 2.229 187 I HA -0.302 3.869 4.170 0.002 0.000 0.250 187 I C 2.624 178.728 176.117 -0.022 0.000 1.096 187 I CA 1.567 62.853 61.300 -0.024 0.000 1.358 187 I CB -1.618 36.369 38.000 -0.022 0.000 1.047 187 I HN 0.266 nan 8.210 nan 0.000 0.422 188 A N 0.981 123.785 122.820 -0.026 0.000 1.835 188 A HA -0.238 4.083 4.320 0.002 0.000 0.215 188 A C 2.555 180.126 177.584 -0.021 0.000 1.199 188 A CA 1.811 53.834 52.037 -0.023 0.000 0.615 188 A CB -0.845 18.140 19.000 -0.025 0.000 0.838 188 A HN 0.322 nan 8.150 nan 0.000 0.444 189 R N -0.267 120.219 120.500 -0.023 0.000 2.133 189 R HA -0.198 4.143 4.340 0.002 0.000 0.245 189 R C 2.135 178.424 176.300 -0.018 0.000 1.137 189 R CA 2.074 58.162 56.100 -0.020 0.000 0.947 189 R CB -0.691 29.596 30.300 -0.022 0.000 0.865 189 R HN 0.548 nan 8.270 nan 0.000 0.437 190 L N -0.331 120.882 121.223 -0.018 0.000 2.021 190 L HA -0.219 4.122 4.340 0.002 0.000 0.215 190 L C 2.609 179.471 176.870 -0.014 0.000 1.074 190 L CA 1.855 56.686 54.840 -0.015 0.000 0.760 190 L CB -1.011 41.040 42.059 -0.014 0.000 0.889 190 L HN 0.546 nan 8.230 nan 0.000 0.433 191 G N -1.408 107.383 108.800 -0.015 0.000 2.422 191 G HA2 -0.299 3.662 3.960 0.002 0.000 0.218 191 G HA3 -0.299 3.662 3.960 0.002 0.000 0.218 191 G C 1.785 176.675 174.900 -0.016 0.000 1.146 191 G CA 0.796 45.887 45.100 -0.015 0.000 0.769 191 G HN 0.469 nan 8.290 nan 0.000 0.547 192 c N 0.577 119.168 118.600 -0.016 0.000 2.436 192 c HA 0.085 4.656 4.570 0.002 0.000 0.277 192 c C 3.372 177.452 174.090 -0.017 0.000 1.241 192 c CA 2.425 58.744 56.329 -0.017 0.000 1.721 192 c CB -0.907 41.593 42.510 -0.016 0.000 2.043 192 c HN 0.640 nan 8.230 nan 0.000 0.472 193 E N -0.059 120.132 120.200 -0.016 0.000 2.097 193 E HA -0.163 4.189 4.350 0.002 0.000 0.196 193 E C 2.049 178.640 176.600 -0.016 0.000 1.000 193 E CA 1.966 58.357 56.400 -0.015 0.000 0.804 193 E CB -1.126 28.566 29.700 -0.013 0.000 0.740 193 E HN 0.929 nan 8.360 nan 0.000 0.454 194 A N 0.082 122.893 122.820 -0.015 0.000 2.119 194 A HA 0.443 4.764 4.320 0.002 0.000 0.217 194 A C 2.624 180.197 177.584 -0.018 0.000 1.153 194 A CA 1.729 53.756 52.037 -0.015 0.000 0.692 194 A CB -0.297 18.695 19.000 -0.013 0.000 0.799 194 A HN 0.886 nan 8.150 nan 0.000 0.458 195 A N -0.513 122.295 122.820 -0.019 0.000 1.935 195 A HA 0.304 4.625 4.320 0.002 0.000 0.214 195 A C 2.312 179.880 177.584 -0.026 0.000 1.178 195 A CA 1.394 53.418 52.037 -0.022 0.000 0.640 195 A CB -1.137 17.851 19.000 -0.021 0.000 0.825 195 A HN 0.587 nan 8.150 nan 0.000 0.447 196 G N 0.315 109.100 108.800 -0.025 0.000 2.459 196 G HA2 -0.205 3.756 3.960 0.002 0.000 0.217 196 G HA3 -0.205 3.756 3.960 0.002 0.000 0.217 196 G C 1.560 176.442 174.900 -0.030 0.000 1.183 196 G CA 1.105 46.188 45.100 -0.027 0.000 0.776 196 G HN 0.391 nan 8.290 nan 0.000 0.552 197 L N 0.533 121.741 121.223 -0.024 0.000 1.990 197 L HA -0.253 4.089 4.340 0.002 0.000 0.213 197 L C 3.062 179.915 176.870 -0.029 0.000 1.072 197 L CA 2.093 56.919 54.840 -0.023 0.000 0.755 197 L CB -0.711 41.337 42.059 -0.017 0.000 0.889 197 L HN 0.446 nan 8.230 nan 0.000 0.432 198 Q N 0.425 120.209 119.800 -0.028 0.000 2.217 198 Q HA -0.277 4.064 4.340 0.002 0.000 0.209 198 Q C 2.076 178.050 176.000 -0.043 0.000 0.988 198 Q CA 2.134 57.919 55.803 -0.030 0.000 0.878 198 Q CB -0.360 28.361 28.738 -0.027 0.000 0.909 198 Q HN 0.467 nan 8.270 nan 0.000 0.424 199 L N -0.044 121.148 121.223 -0.053 0.000 2.131 199 L HA 0.198 4.539 4.340 0.002 0.000 0.206 199 L C 2.141 178.951 176.870 -0.100 0.000 1.087 199 L CA 2.144 56.937 54.840 -0.078 0.000 0.767 199 L CB -0.950 41.063 42.059 -0.077 0.000 0.917 199 L HN 0.280 nan 8.230 nan 0.000 0.441 200 G N 0.425 109.181 108.800 -0.073 0.000 2.440 200 G HA2 -0.216 3.745 3.960 0.002 0.000 0.218 200 G HA3 -0.216 3.745 3.960 0.002 0.000 0.218 200 G C 1.519 176.382 174.900 -0.062 0.000 1.154 200 G CA 1.044 46.102 45.100 -0.069 0.000 0.767 200 G HN 0.372 nan 8.290 nan 0.000 0.552 201 I N 1.939 122.483 120.570 -0.042 0.000 2.163 201 I HA -0.184 3.987 4.170 0.002 0.000 0.243 201 I C 3.274 179.373 176.117 -0.030 0.000 1.085 201 I CA 1.305 62.590 61.300 -0.024 0.000 1.347 201 I CB -1.416 36.574 38.000 -0.017 0.000 1.044 201 I HN 0.271 nan 8.210 nan 0.000 0.408 202 A N 1.171 123.956 122.820 -0.058 0.000 1.851 202 A HA -0.207 4.114 4.320 0.002 0.000 0.216 202 A C 2.230 179.758 177.584 -0.094 0.000 1.195 202 A CA 1.593 53.589 52.037 -0.069 0.000 0.622 202 A CB -0.960 17.982 19.000 -0.096 0.000 0.831 202 A HN 0.301 nan 8.150 nan 0.000 0.444 203 L N -0.095 120.992 121.223 -0.228 0.000 2.042 203 L HA -0.152 4.189 4.340 0.002 0.000 0.210 203 L C 2.752 179.548 176.870 -0.124 0.000 1.076 203 L CA 2.420 56.977 54.840 -0.473 0.000 0.749 203 L CB -1.542 39.880 42.059 -1.061 0.000 0.893 203 L HN 0.401 nan 8.230 nan 0.000 0.432 204 T N -1.047 113.497 114.554 -0.017 0.000 2.708 204 T HA -0.234 4.117 4.350 0.002 0.000 0.266 204 T C 1.845 176.643 174.700 0.164 0.000 1.037 204 T CA 1.378 63.550 62.100 0.120 0.000 1.146 204 T CB -0.178 68.725 68.868 0.058 0.000 0.865 204 T HN 0.439 nan 8.240 nan 0.000 0.435 205 Q N -0.452 119.412 119.800 0.107 0.000 2.226 205 Q HA -0.159 4.182 4.340 0.002 0.000 0.204 205 Q C 2.150 178.250 176.000 0.165 0.000 0.975 205 Q CA 1.338 57.209 55.803 0.114 0.000 0.866 205 Q CB -0.197 28.587 28.738 0.076 0.000 0.915 205 Q HN 0.612 nan 8.270 nan 0.000 0.440 206 H N 0.004 119.124 119.070 0.083 0.000 2.276 206 H HA -0.175 4.382 4.556 0.002 0.000 0.301 206 H C 1.746 177.193 175.328 0.199 0.000 1.073 206 H CA 1.779 57.892 56.048 0.108 0.000 1.311 206 H CB -0.543 29.261 29.762 0.069 0.000 1.379 206 H HN 0.277 nan 8.280 nan 0.000 0.494 207 Y N 0.318 120.700 120.300 0.136 0.000 2.139 207 Y HA -0.298 4.253 4.550 0.002 0.000 0.282 207 Y C 2.954 178.865 175.900 0.017 0.000 1.179 207 Y CA 2.093 60.249 58.100 0.093 0.000 1.161 207 Y CB -0.655 37.955 38.460 0.250 0.000 0.970 207 Y HN 0.309 nan 8.280 nan 0.000 0.511 208 S N -0.250 115.597 115.700 0.245 0.000 2.354 208 S HA -0.323 4.148 4.470 0.002 0.000 0.219 208 S C 2.105 176.710 174.600 0.009 0.000 1.035 208 S CA 1.749 60.031 58.200 0.137 0.000 1.037 208 S CB -0.702 62.580 63.200 0.135 0.000 0.956 208 S HN 0.733 nan 8.310 nan 0.000 0.428 209 E N 0.180 120.386 120.200 0.010 0.000 2.097 209 E HA -0.218 4.133 4.350 0.002 0.000 0.196 209 E C 2.143 178.709 176.600 -0.058 0.000 1.000 209 E CA 1.563 57.955 56.400 -0.013 0.000 0.804 209 E CB -0.457 29.261 29.700 0.030 0.000 0.740 209 E HN 0.489 nan 8.360 nan 0.000 0.454 210 L N 1.297 122.424 121.223 -0.160 0.000 1.971 210 L HA -0.233 4.109 4.340 0.002 0.000 0.215 210 L C 2.696 179.518 176.870 -0.080 0.000 1.072 210 L CA 3.181 57.928 54.840 -0.154 0.000 0.758 210 L CB -1.294 40.539 42.059 -0.376 0.000 0.889 210 L HN 0.456 nan 8.230 nan 0.000 0.433 211 T N -2.339 112.080 114.554 -0.225 0.000 2.720 211 T HA -0.245 4.106 4.350 0.002 0.000 0.268 211 T C 1.818 176.458 174.700 -0.100 0.000 1.037 211 T CA 1.578 63.562 62.100 -0.194 0.000 1.144 211 T CB -1.070 67.626 68.868 -0.287 0.000 0.864 211 T HN 0.540 nan 8.240 nan 0.000 0.444 212 N N 1.427 120.076 118.700 -0.085 0.000 2.149 212 N HA -0.044 4.697 4.740 0.002 0.000 0.188 212 N C 1.716 177.148 175.510 -0.130 0.000 1.019 212 N CA 1.615 54.617 53.050 -0.080 0.000 0.857 212 N CB -0.504 37.949 38.487 -0.057 0.000 0.997 212 N HN 0.622 nan 8.380 nan 0.000 0.426 213 I N -1.470 118.997 120.570 -0.170 0.000 2.188 213 I HA -0.094 4.077 4.170 0.002 0.000 0.237 213 I C 0.623 176.408 176.117 -0.553 0.000 1.073 213 I CA 0.857 61.914 61.300 -0.406 0.000 1.359 213 I CB -0.219 37.440 38.000 -0.569 0.000 1.083 213 I HN 0.011 nan 8.210 nan 0.000 0.412 214 F N 0.855 120.755 119.950 -0.084 0.000 2.645 214 F HA 0.297 4.826 4.527 0.002 0.000 0.300 214 F C 2.024 177.772 175.800 -0.085 0.000 1.115 214 F CA -0.101 57.853 58.000 -0.078 0.000 1.355 214 F CB -0.637 38.319 39.000 -0.074 0.000 1.026 214 F HN -0.069 nan 8.300 nan 0.000 0.536 215 G N 0.123 108.924 108.800 0.001 0.000 2.418 215 G HA2 -0.222 3.740 3.960 0.002 0.000 0.217 215 G HA3 -0.222 3.740 3.960 0.002 0.000 0.217 215 G C 1.477 176.367 174.900 -0.016 0.000 1.158 215 G CA 0.934 46.020 45.100 -0.025 0.000 0.771 215 G HN 0.229 nan 8.290 nan 0.000 0.545 216 D N 0.258 120.641 120.400 -0.029 0.000 2.317 216 D HA -0.029 4.612 4.640 0.002 0.000 0.211 216 D C 2.080 178.374 176.300 -0.010 0.000 0.966 216 D CA 0.274 54.258 54.000 -0.026 0.000 0.876 216 D CB -0.014 40.760 40.800 -0.044 0.000 0.927 216 D HN 0.271 nan 8.370 nan 0.000 0.519 217 N N 0.618 119.327 118.700 0.014 0.000 2.251 217 N HA 0.010 4.751 4.740 0.002 0.000 0.181 217 N C 1.949 177.477 175.510 0.029 0.000 1.019 217 N CA 0.374 53.444 53.050 0.034 0.000 0.862 217 N CB 0.332 38.879 38.487 0.100 0.000 0.992 217 N HN 0.234 nan 8.380 nan 0.000 0.429 218 I N 0.557 121.149 120.570 0.037 0.000 3.111 218 I HA -0.035 4.137 4.170 0.002 0.000 0.272 218 I C 2.090 178.213 176.117 0.009 0.000 1.268 218 I CA 0.411 61.722 61.300 0.019 0.000 1.467 218 I CB -0.164 37.843 38.000 0.011 0.000 1.087 218 I HN 0.088 nan 8.210 nan 0.000 0.467 219 G N -0.551 108.251 108.800 0.004 0.000 2.744 219 G HA2 0.015 3.977 3.960 0.002 0.000 0.211 219 G HA3 0.015 3.977 3.960 0.002 0.000 0.211 219 G C 0.566 175.465 174.900 -0.002 0.000 1.146 219 G CA 0.162 45.262 45.100 0.001 0.000 0.787 219 G HN 0.288 nan 8.290 nan 0.000 0.534 220 S N -0.436 115.261 115.700 -0.005 0.000 2.548 220 S HA 0.466 4.937 4.470 0.002 0.000 0.286 220 S C 0.426 175.018 174.600 -0.012 0.000 1.098 220 S CA -0.845 57.349 58.200 -0.010 0.000 0.930 220 S CB 1.223 64.414 63.200 -0.015 0.000 1.070 220 S HN 0.324 nan 8.310 nan 0.000 0.480 221 L N 2.232 123.446 121.223 -0.016 0.000 2.728 221 L HA 0.445 4.786 4.340 0.002 0.000 0.235 221 L C 0.331 177.186 176.870 -0.025 0.000 1.197 221 L CA -0.519 54.309 54.840 -0.020 0.000 0.992 221 L CB -0.902 41.143 42.059 -0.023 0.000 1.263 221 L HN 0.703 nan 8.230 nan 0.000 0.484 222 Q N 0.049 119.834 119.800 -0.026 0.000 2.240 222 Q HA 0.442 4.783 4.340 0.002 0.000 0.260 222 Q C -0.760 175.217 176.000 -0.037 0.000 1.018 222 Q CA -0.828 54.956 55.803 -0.031 0.000 0.898 222 Q CB 1.461 30.182 28.738 -0.028 0.000 1.301 222 Q HN 0.282 nan 8.270 nan 0.000 0.469 223 E N 0.852 121.025 120.200 -0.045 0.000 2.408 223 E HA 0.171 4.523 4.350 0.002 0.000 0.259 223 E C -0.652 175.919 176.600 -0.050 0.000 1.110 223 E CA 0.060 56.427 56.400 -0.056 0.000 0.929 223 E CB 0.673 30.332 29.700 -0.069 0.000 0.971 223 E HN 0.335 nan 8.360 nan 0.000 0.438 224 K N -0.079 120.289 120.400 -0.053 0.000 2.548 224 K HA 0.377 4.698 4.320 0.002 0.000 0.282 224 K C -0.119 176.446 176.600 -0.058 0.000 1.006 224 K CA -0.686 55.571 56.287 -0.051 0.000 0.892 224 K CB 1.610 34.086 32.500 -0.041 0.000 1.499 224 K HN 0.656 nan 8.250 nan 0.000 0.433 225 G N 0.269 109.031 108.800 -0.063 0.000 2.553 225 G HA2 0.549 4.510 3.960 0.002 0.000 0.278 225 G HA3 0.549 4.510 3.960 0.002 0.000 0.278 225 G C -0.668 174.189 174.900 -0.072 0.000 1.349 225 G CA -0.425 44.633 45.100 -0.069 0.000 1.037 225 G HN 0.490 nan 8.290 nan 0.000 0.508 226 I N -0.905 119.618 120.570 -0.079 0.000 2.607 226 I HA 0.381 4.552 4.170 0.002 0.000 0.290 226 I C -0.192 175.854 176.117 -0.117 0.000 1.129 226 I CA -0.911 60.328 61.300 -0.101 0.000 1.042 226 I CB 1.800 39.759 38.000 -0.069 0.000 1.242 226 I HN 0.435 nan 8.210 nan 0.000 0.421 227 K N 5.677 125.973 120.400 -0.174 0.000 2.286 227 K HA 0.158 4.479 4.320 0.002 0.000 0.256 227 K C 0.881 177.411 176.600 -0.115 0.000 0.999 227 K CA -0.295 55.901 56.287 -0.151 0.000 0.908 227 K CB 0.791 33.174 32.500 -0.194 0.000 0.981 227 K HN 0.610 nan 8.250 nan 0.000 0.500 228 L N 1.258 122.441 121.223 -0.066 0.000 2.012 228 L HA -0.261 4.080 4.340 0.002 0.000 0.210 228 L C 2.480 179.336 176.870 -0.024 0.000 1.073 228 L CA 1.278 56.111 54.840 -0.012 0.000 0.748 228 L CB -0.482 41.585 42.059 0.014 0.000 0.891 228 L HN 0.629 nan 8.230 nan 0.000 0.431 229 Q N -0.059 119.697 119.800 -0.073 0.000 2.437 229 Q HA -0.089 4.252 4.340 0.002 0.000 0.210 229 Q C 1.908 177.829 176.000 -0.132 0.000 0.972 229 Q CA 1.422 57.174 55.803 -0.085 0.000 0.903 229 Q CB -0.538 28.145 28.738 -0.092 0.000 0.967 229 Q HN 0.539 nan 8.270 nan 0.000 0.486 230 G N 1.027 109.702 108.800 -0.208 0.000 2.545 230 G HA2 0.039 4.000 3.960 0.002 0.000 0.212 230 G HA3 0.039 4.000 3.960 0.002 0.000 0.212 230 G C 1.477 176.373 174.900 -0.007 0.000 1.144 230 G CA -0.158 44.788 45.100 -0.258 0.000 0.813 230 G HN 0.243 nan 8.290 nan 0.000 0.531 231 I N 1.477 122.044 120.570 -0.004 0.000 2.439 231 I HA -0.053 4.118 4.170 0.002 0.000 0.251 231 I C 3.080 179.233 176.117 0.059 0.000 1.139 231 I CA 0.712 62.055 61.300 0.072 0.000 1.438 231 I CB 0.004 38.074 38.000 0.117 0.000 1.085 231 I HN 0.200 nan 8.210 nan 0.000 0.427 232 A N 0.440 123.237 122.820 -0.038 0.000 2.186 232 A HA -0.183 4.139 4.320 0.002 0.000 0.219 232 A C 2.150 179.512 177.584 -0.369 0.000 1.159 232 A CA 1.786 53.606 52.037 -0.362 0.000 0.680 232 A CB -0.625 18.251 19.000 -0.207 0.000 0.787 232 A HN 0.520 nan 8.150 nan 0.000 0.467 233 S N -1.498 114.131 115.700 -0.118 0.000 2.614 233 S HA 0.419 4.890 4.470 0.002 0.000 0.230 233 S C 0.956 175.536 174.600 -0.033 0.000 0.952 233 S CA -0.043 58.126 58.200 -0.052 0.000 0.949 233 S CB -0.244 63.003 63.200 0.080 0.000 0.786 233 S HN 0.430 nan 8.310 nan 0.000 0.478 234 L N -0.241 120.954 121.223 -0.048 0.000 2.717 234 L HA 0.404 4.745 4.340 0.002 0.000 0.239 234 L C 0.065 176.992 176.870 0.095 0.000 1.086 234 L CA -0.291 54.572 54.840 0.037 0.000 0.897 234 L CB 0.218 42.320 42.059 0.071 0.000 1.214 234 L HN 0.564 nan 8.230 nan 0.000 0.508 235 Y N -3.121 117.194 120.300 0.025 0.000 2.485 235 Y HA 0.691 5.243 4.550 0.002 0.000 0.345 235 Y C 0.976 176.895 175.900 0.032 0.000 0.998 235 Y CA -1.003 57.116 58.100 0.031 0.000 1.059 235 Y CB 0.839 39.319 38.460 0.035 0.000 1.234 235 Y HN -0.136 nan 8.280 nan 0.000 0.461 236 R N 0.815 121.426 120.500 0.184 0.000 2.060 236 R HA 0.079 4.421 4.340 0.002 0.000 0.225 236 R C 1.293 177.696 176.300 0.171 0.000 1.155 236 R CA 2.451 58.607 56.100 0.092 0.000 0.930 236 R CB -1.757 28.599 30.300 0.094 0.000 0.829 236 R HN 1.057 nan 8.270 nan 0.000 0.433 237 T N -4.808 109.928 114.554 0.303 0.000 3.186 237 T HA 0.231 4.583 4.350 0.002 0.000 0.292 237 T C -0.170 174.670 174.700 0.233 0.000 0.915 237 T CA -0.103 62.174 62.100 0.294 0.000 0.902 237 T CB 0.096 69.048 68.868 0.140 0.000 1.192 237 T HN 0.356 nan 8.240 nan 0.000 0.563 238 N N 1.514 120.317 118.700 0.171 0.000 2.540 238 N HA 0.338 5.079 4.740 0.002 0.000 0.275 238 N C 1.063 176.392 175.510 -0.301 0.000 1.053 238 N CA -0.407 52.608 53.050 -0.058 0.000 0.876 238 N CB 1.333 39.823 38.487 0.006 0.000 1.284 238 N HN 0.251 nan 8.380 nan 0.000 0.518 239 I N 0.836 120.971 120.570 -0.726 0.000 2.290 239 I HA -0.311 3.860 4.170 0.002 0.000 0.253 239 I C 1.867 177.833 176.117 -0.252 0.000 1.112 239 I CA 1.104 61.878 61.300 -0.876 0.000 1.377 239 I CB -0.702 36.960 38.000 -0.564 0.000 1.060 239 I HN 0.375 nan 8.210 nan 0.000 0.428 240 T N 0.634 115.126 114.554 -0.102 0.000 2.699 240 T HA -0.217 4.135 4.350 0.002 0.000 0.268 240 T C 1.536 176.317 174.700 0.136 0.000 1.036 240 T CA 1.665 63.797 62.100 0.053 0.000 1.147 240 T CB -0.416 68.471 68.868 0.031 0.000 0.862 240 T HN 0.508 nan 8.240 nan 0.000 0.446 241 E N 0.301 120.556 120.200 0.091 0.000 2.526 241 E HA -0.015 4.337 4.350 0.002 0.000 0.205 241 E C 1.606 178.307 176.600 0.167 0.000 1.104 241 E CA 0.112 56.597 56.400 0.141 0.000 0.899 241 E CB -0.380 29.407 29.700 0.145 0.000 0.838 241 E HN 0.570 nan 8.360 nan 0.000 0.564 242 I N -0.129 120.534 120.570 0.156 0.000 2.439 242 I HA -0.165 4.006 4.170 0.002 0.000 0.251 242 I C 0.416 176.494 176.117 -0.065 0.000 1.139 242 I CA 0.577 61.903 61.300 0.043 0.000 1.438 242 I CB 0.124 38.082 38.000 -0.070 0.000 1.085 242 I HN 0.005 nan 8.210 nan 0.000 0.427 243 F N 1.225 121.219 119.950 0.073 0.000 2.368 243 F HA 0.124 4.652 4.527 0.002 0.000 0.362 243 F C 1.407 177.245 175.800 0.065 0.000 1.137 243 F CA -0.557 57.485 58.000 0.070 0.000 1.161 243 F CB 0.535 39.572 39.000 0.060 0.000 1.265 243 F HN -0.114 nan 8.300 nan 0.000 0.530 244 T N -2.508 112.161 114.554 0.192 0.000 3.278 244 T HA 0.109 4.460 4.350 0.002 0.000 0.251 244 T C 0.976 175.754 174.700 0.130 0.000 1.039 244 T CA 0.157 62.341 62.100 0.140 0.000 0.935 244 T CB -0.060 68.869 68.868 0.100 0.000 1.034 244 T HN 0.570 nan 8.240 nan 0.000 0.575 245 T N -0.011 114.640 114.554 0.162 0.000 3.105 245 T HA 0.347 4.698 4.350 0.002 0.000 0.257 245 T C 0.629 175.388 174.700 0.098 0.000 0.949 245 T CA 0.010 62.182 62.100 0.121 0.000 0.959 245 T CB 0.667 69.612 68.868 0.129 0.000 1.205 245 T HN 0.433 nan 8.240 nan 0.000 0.496 246 S N 0.193 115.963 115.700 0.116 0.000 2.806 246 S HA 0.681 5.152 4.470 0.002 0.000 0.315 246 S C -1.003 173.613 174.600 0.027 0.000 1.127 246 S CA -0.414 57.811 58.200 0.042 0.000 0.918 246 S CB 1.702 64.897 63.200 -0.008 0.000 1.240 246 S HN 0.150 nan 8.310 nan 0.000 0.552 247 T N 1.374 115.911 114.554 -0.028 0.000 2.829 247 T HA 0.704 5.055 4.350 0.002 0.000 0.280 247 T C -1.242 173.398 174.700 -0.100 0.000 0.999 247 T CA -0.429 61.654 62.100 -0.028 0.000 0.983 247 T CB 1.323 70.184 68.868 -0.011 0.000 0.968 247 T HN 0.461 nan 8.240 nan 0.000 0.446 248 V N 2.153 122.011 119.914 -0.093 0.000 2.925 248 V HA 0.377 4.498 4.120 0.002 0.000 0.311 248 V C -0.148 175.930 176.094 -0.027 0.000 1.104 248 V CA -1.179 61.037 62.300 -0.141 0.000 0.954 248 V CB 2.284 33.892 31.823 -0.357 0.000 1.022 248 V HN 0.826 nan 8.190 nan 0.000 0.427 249 D N 2.132 122.539 120.400 0.012 0.000 2.419 249 D HA 0.204 4.845 4.640 0.002 0.000 0.236 249 D C 1.136 177.510 176.300 0.124 0.000 1.165 249 D CA 0.728 54.807 54.000 0.132 0.000 0.882 249 D CB 1.434 42.359 40.800 0.209 0.000 1.201 249 D HN 0.738 nan 8.370 nan 0.000 0.443 250 K N 2.337 122.802 120.400 0.109 0.000 2.025 250 K HA -0.176 4.145 4.320 0.002 0.000 0.207 250 K C 2.003 178.573 176.600 -0.050 0.000 1.049 250 K CA 1.431 57.672 56.287 -0.077 0.000 0.933 250 K CB -1.406 30.919 32.500 -0.291 0.000 0.714 250 K HN 0.507 nan 8.250 nan 0.000 0.438 251 Y N 1.763 122.089 120.300 0.044 0.000 2.040 251 Y HA -0.229 4.322 4.550 0.002 0.000 0.275 251 Y C 2.459 178.439 175.900 0.133 0.000 1.171 251 Y CA 1.704 59.861 58.100 0.095 0.000 1.123 251 Y CB -0.942 37.559 38.460 0.068 0.000 0.963 251 Y HN 0.370 nan 8.280 nan 0.000 0.493 252 D N -0.087 120.468 120.400 0.258 0.000 2.133 252 D HA -0.178 4.463 4.640 0.002 0.000 0.195 252 D C 2.075 178.463 176.300 0.148 0.000 0.997 252 D CA 1.799 55.891 54.000 0.153 0.000 0.840 252 D CB -0.475 40.359 40.800 0.057 0.000 0.947 252 D HN 0.526 nan 8.370 nan 0.000 0.452 253 I N -1.447 119.214 120.570 0.152 0.000 2.439 253 I HA -0.150 4.022 4.170 0.002 0.000 0.251 253 I C 2.089 178.304 176.117 0.163 0.000 1.139 253 I CA 0.987 62.393 61.300 0.177 0.000 1.438 253 I CB -0.721 37.388 38.000 0.182 0.000 1.085 253 I HN -0.022 nan 8.210 nan 0.000 0.427 254 Y N 2.406 122.733 120.300 0.045 0.000 2.165 254 Y HA -0.252 4.299 4.550 0.002 0.000 0.286 254 Y C 1.916 177.878 175.900 0.103 0.000 1.155 254 Y CA 2.005 60.122 58.100 0.029 0.000 1.164 254 Y CB -0.755 37.678 38.460 -0.043 0.000 0.978 254 Y HN 0.247 nan 8.280 nan 0.000 0.513 255 D N 0.036 120.442 120.400 0.010 0.000 2.218 255 D HA -0.173 4.468 4.640 0.002 0.000 0.204 255 D C 2.252 178.545 176.300 -0.011 0.000 0.976 255 D CA 1.337 55.321 54.000 -0.026 0.000 0.853 255 D CB -0.289 40.568 40.800 0.095 0.000 0.939 255 D HN 0.407 nan 8.370 nan 0.000 0.481 256 L N -0.242 120.999 121.223 0.031 0.000 2.072 256 L HA -0.065 4.277 4.340 0.002 0.000 0.205 256 L C 2.333 179.200 176.870 -0.005 0.000 1.079 256 L CA 0.650 55.516 54.840 0.043 0.000 0.752 256 L CB -0.382 41.744 42.059 0.113 0.000 0.906 256 L HN 0.098 nan 8.230 nan 0.000 0.436 257 L N -1.050 120.161 121.223 -0.019 0.000 1.988 257 L HA -0.232 4.110 4.340 0.002 0.000 0.207 257 L C 2.563 179.394 176.870 -0.066 0.000 1.071 257 L CA 1.233 56.057 54.840 -0.027 0.000 0.744 257 L CB -0.675 41.395 42.059 0.019 0.000 0.893 257 L HN 0.116 nan 8.230 nan 0.000 0.433 258 F N 0.602 120.348 119.950 -0.339 0.000 2.307 258 F HA -0.217 4.311 4.527 0.002 0.000 0.301 258 F C 2.072 177.757 175.800 -0.192 0.000 1.076 258 F CA 1.612 59.412 58.000 -0.333 0.000 1.383 258 F CB -0.224 38.407 39.000 -0.615 0.000 1.055 258 F HN -0.037 nan 8.300 nan 0.000 0.526 259 T N -0.623 113.827 114.554 -0.172 0.000 3.001 259 T HA 0.042 4.393 4.350 0.002 0.000 0.251 259 T C 0.042 174.658 174.700 -0.140 0.000 1.040 259 T CA 0.120 62.114 62.100 -0.176 0.000 0.985 259 T CB -0.073 68.759 68.868 -0.060 0.000 1.011 259 T HN 0.227 nan 8.240 nan 0.000 0.509 260 E N 1.244 121.376 120.200 -0.114 0.000 2.240 260 E HA -0.160 4.191 4.350 0.002 0.000 0.194 260 E C 0.336 176.897 176.600 -0.066 0.000 1.385 260 E CA 0.231 56.578 56.400 -0.088 0.000 0.686 260 E CB -1.493 28.142 29.700 -0.109 0.000 1.125 260 E HN 0.395 nan 8.360 nan 0.000 0.359 261 S N -0.405 115.271 115.700 -0.040 0.000 2.492 261 S HA 0.121 4.592 4.470 0.002 0.000 0.218 261 S C 1.064 175.645 174.600 -0.030 0.000 1.016 261 S CA -0.159 58.026 58.200 -0.025 0.000 0.916 261 S CB 0.355 63.559 63.200 0.008 0.000 0.791 261 S HN 0.320 nan 8.310 nan 0.000 0.513 262 I N 3.308 123.861 120.570 -0.028 0.000 2.587 262 I HA 0.070 4.241 4.170 0.002 0.000 0.284 262 I C 0.061 176.135 176.117 -0.071 0.000 1.134 262 I CA 0.220 61.492 61.300 -0.048 0.000 1.410 262 I CB 0.272 38.244 38.000 -0.046 0.000 1.392 262 I HN -0.074 nan 8.210 nan 0.000 0.545 263 K N 6.091 126.431 120.400 -0.099 0.000 2.203 263 K HA 0.682 5.003 4.320 0.002 0.000 0.251 263 K C -0.860 175.675 176.600 -0.109 0.000 0.944 263 K CA -0.785 55.440 56.287 -0.103 0.000 0.829 263 K CB 2.798 35.226 32.500 -0.120 0.000 1.125 263 K HN 0.254 nan 8.250 nan 0.000 0.430 264 V N 2.139 122.003 119.914 -0.083 0.000 2.540 264 V HA 0.500 4.621 4.120 0.002 0.000 0.302 264 V C -0.302 175.752 176.094 -0.067 0.000 1.035 264 V CA -0.930 61.328 62.300 -0.070 0.000 0.873 264 V CB 2.079 33.895 31.823 -0.012 0.000 0.992 264 V HN 0.640 nan 8.190 nan 0.000 0.428 265 R N 2.619 123.067 120.500 -0.087 0.000 2.532 265 R HA 0.636 4.977 4.340 0.002 0.000 0.297 265 R C -1.259 175.004 176.300 -0.061 0.000 0.984 265 R CA -0.553 55.505 56.100 -0.071 0.000 0.884 265 R CB 2.168 32.417 30.300 -0.085 0.000 1.182 265 R HN 0.605 nan 8.270 nan 0.000 0.442 266 V N 7.267 127.161 119.914 -0.033 0.000 2.446 266 V HA 0.137 4.259 4.120 0.002 0.000 0.276 266 V C 0.716 176.800 176.094 -0.016 0.000 1.030 266 V CA 0.472 62.760 62.300 -0.021 0.000 1.033 266 V CB 0.530 32.349 31.823 -0.007 0.000 0.993 266 V HN 0.882 nan 8.190 nan 0.000 0.477 267 I N 4.296 124.865 120.570 -0.002 0.000 2.731 267 I HA 0.297 4.468 4.170 0.002 0.000 0.260 267 I C 0.654 176.791 176.117 0.033 0.000 1.138 267 I CA 0.564 61.877 61.300 0.022 0.000 1.461 267 I CB 0.304 38.344 38.000 0.068 0.000 1.128 267 I HN 0.741 nan 8.210 nan 0.000 0.438 268 D N -1.353 119.071 120.400 0.040 0.000 2.599 268 D HA 0.474 5.115 4.640 0.002 0.000 0.252 268 D C -1.473 174.855 176.300 0.048 0.000 1.232 268 D CA -0.242 53.785 54.000 0.044 0.000 0.819 268 D CB 2.564 43.394 40.800 0.051 0.000 1.401 268 D HN -0.299 nan 8.370 nan 0.000 0.429 269 V N 1.629 121.588 119.914 0.076 0.000 2.623 269 V HA 0.375 4.496 4.120 0.002 0.000 0.304 269 V C -1.176 174.946 176.094 0.047 0.000 1.054 269 V CA -0.809 61.532 62.300 0.068 0.000 0.882 269 V CB 1.773 33.666 31.823 0.116 0.000 1.002 269 V HN 0.628 nan 8.190 nan 0.000 0.424 270 D N 3.510 123.895 120.400 -0.025 0.000 2.412 270 D HA 0.426 5.067 4.640 0.002 0.000 0.224 270 D C 1.043 177.219 176.300 -0.207 0.000 1.093 270 D CA -0.376 53.577 54.000 -0.078 0.000 0.850 270 D CB 1.171 41.940 40.800 -0.052 0.000 1.046 270 D HN 0.487 nan 8.370 nan 0.000 0.507 271 L N 3.018 124.060 121.223 -0.300 0.000 2.549 271 L HA -0.035 4.306 4.340 0.002 0.000 0.229 271 L C 1.405 177.919 176.870 -0.593 0.000 1.158 271 L CA 0.423 54.969 54.840 -0.490 0.000 0.842 271 L CB -0.382 41.375 42.059 -0.503 0.000 0.952 271 L HN 0.497 nan 8.230 nan 0.000 0.452 272 N N -0.729 117.756 118.700 -0.358 0.000 2.499 272 N HA -0.059 4.682 4.740 0.002 0.000 0.182 272 N C 1.121 176.577 175.510 -0.090 0.000 1.034 272 N CA 0.651 53.565 53.050 -0.227 0.000 0.882 272 N CB 0.198 38.623 38.487 -0.105 0.000 1.125 272 N HN 0.272 nan 8.380 nan 0.000 0.436 273 D N 0.120 120.487 120.400 -0.056 0.000 2.305 273 D HA 0.007 4.648 4.640 0.002 0.000 0.206 273 D C -0.371 176.059 176.300 0.217 0.000 0.974 273 D CA 0.241 54.291 54.000 0.084 0.000 0.871 273 D CB 0.234 41.059 40.800 0.042 0.000 0.947 273 D HN 0.134 nan 8.370 nan 0.000 0.516 274 Y N 0.198 120.496 120.300 -0.004 0.000 3.016 274 Y HA -0.256 4.295 4.550 0.002 0.000 0.152 274 Y C -0.086 175.820 175.900 0.010 0.000 1.832 274 Y CA 0.057 58.158 58.100 0.000 0.000 0.998 274 Y CB -1.967 36.505 38.460 0.019 0.000 1.507 274 Y HN -0.104 nan 8.280 nan 0.000 0.378 275 S N 0.125 115.856 115.700 0.052 0.000 2.540 275 S HA 0.922 5.393 4.470 0.002 0.000 0.275 275 S C -0.696 173.904 174.600 -0.000 0.000 1.123 275 S CA -0.977 57.243 58.200 0.033 0.000 0.907 275 S CB 2.447 65.662 63.200 0.024 0.000 1.081 275 S HN 0.322 nan 8.310 nan 0.000 0.476 276 I N 2.140 122.699 120.570 -0.019 0.000 2.465 276 I HA 0.406 4.577 4.170 0.002 0.000 0.291 276 I C -0.482 175.614 176.117 -0.037 0.000 1.014 276 I CA -0.609 60.675 61.300 -0.026 0.000 1.093 276 I CB 2.473 40.445 38.000 -0.047 0.000 1.267 276 I HN 0.655 nan 8.210 nan 0.000 0.431 277 T N 6.926 121.478 114.554 -0.002 0.000 2.749 277 T HA 0.592 4.943 4.350 0.002 0.000 0.287 277 T C -0.182 174.529 174.700 0.020 0.000 0.970 277 T CA -0.477 61.638 62.100 0.026 0.000 0.980 277 T CB 0.750 69.665 68.868 0.079 0.000 0.924 277 T HN 0.262 nan 8.240 nan 0.000 0.456 278 L N 2.868 124.086 121.223 -0.008 0.000 2.331 278 L HA 0.563 4.904 4.340 0.002 0.000 0.275 278 L C 0.214 177.015 176.870 -0.115 0.000 1.022 278 L CA -0.949 53.864 54.840 -0.045 0.000 0.812 278 L CB 1.843 43.876 42.059 -0.044 0.000 1.257 278 L HN 0.539 nan 8.230 nan 0.000 0.435 279 Q N 2.588 122.256 119.800 -0.221 0.000 2.368 279 Q HA 0.464 4.805 4.340 0.002 0.000 0.263 279 Q C -1.322 174.503 176.000 -0.293 0.000 1.009 279 Q CA -0.497 55.026 55.803 -0.466 0.000 0.818 279 Q CB 2.175 30.566 28.738 -0.578 0.000 1.239 279 Q HN 0.550 nan 8.270 nan 0.000 0.464 280 V N 4.190 123.957 119.914 -0.246 0.000 2.472 280 V HA 0.669 4.790 4.120 0.002 0.000 0.290 280 V C -1.014 174.969 176.094 -0.186 0.000 1.037 280 V CA -0.642 61.557 62.300 -0.168 0.000 0.908 280 V CB 1.546 33.309 31.823 -0.101 0.000 0.985 280 V HN 0.894 nan 8.190 nan 0.000 0.454 281 R N 6.100 126.478 120.500 -0.203 0.000 2.388 281 R HA 0.645 4.987 4.340 0.002 0.000 0.314 281 R C -1.878 174.324 176.300 -0.163 0.000 0.959 281 R CA -0.723 55.231 56.100 -0.243 0.000 0.851 281 R CB 1.324 31.318 30.300 -0.509 0.000 1.168 281 R HN 0.789 nan 8.270 nan 0.000 0.472 282 L N 5.970 127.156 121.223 -0.061 0.000 2.264 282 L HA 0.488 4.829 4.340 0.002 0.000 0.289 282 L C -2.143 174.893 176.870 0.277 0.000 1.044 282 L CA -2.203 52.631 54.840 -0.010 0.000 0.807 282 L CB 1.582 43.412 42.059 -0.381 0.000 1.192 282 L HN 0.501 nan 8.230 nan 0.000 0.425 283 P HA 0.248 nan 4.420 nan 0.000 0.278 283 P C -0.943 176.565 177.300 0.346 0.000 1.238 283 P CA -0.202 63.082 63.100 0.306 0.000 0.794 283 P CB 0.778 32.587 31.700 0.181 0.000 0.955 284 L N 3.480 124.846 121.223 0.238 0.000 2.295 284 L HA 0.358 4.699 4.340 0.002 0.000 0.281 284 L C -0.086 176.816 176.870 0.053 0.000 1.018 284 L CA -0.508 54.377 54.840 0.076 0.000 0.841 284 L CB 0.456 42.546 42.059 0.051 0.000 1.218 284 L HN 0.161 nan 8.230 nan 0.000 0.424 285 L N 2.769 124.007 121.223 0.025 0.000 2.380 285 L HA 0.334 4.676 4.340 0.002 0.000 0.273 285 L C 0.297 177.172 176.870 0.008 0.000 1.138 285 L CA -0.150 54.709 54.840 0.031 0.000 0.832 285 L CB 0.810 42.893 42.059 0.039 0.000 1.124 285 L HN 0.499 nan 8.230 nan 0.000 0.454 286 T N 2.262 116.825 114.554 0.014 0.000 2.743 286 T HA 0.424 4.775 4.350 0.002 0.000 0.292 286 T C 0.500 175.201 174.700 0.002 0.000 0.972 286 T CA -0.506 61.595 62.100 0.002 0.000 0.967 286 T CB 0.972 69.842 68.868 0.003 0.000 0.926 286 T HN 0.725 nan 8.240 nan 0.000 0.459 287 R N 3.174 123.670 120.500 -0.007 0.000 2.539 287 R HA 0.657 4.998 4.340 0.002 0.000 0.275 287 R C -0.457 175.836 176.300 -0.011 0.000 1.077 287 R CA -0.267 55.828 56.100 -0.008 0.000 1.097 287 R CB -0.097 30.192 30.300 -0.018 0.000 1.018 287 R HN 0.744 nan 8.270 nan 0.000 0.483 288 L N 3.207 124.423 121.223 -0.011 0.000 2.305 288 L HA 0.420 4.761 4.340 0.002 0.000 0.284 288 L C -0.195 176.665 176.870 -0.017 0.000 1.013 288 L CA -0.878 53.953 54.840 -0.014 0.000 0.819 288 L CB 1.731 43.782 42.059 -0.013 0.000 1.227 288 L HN 0.595 nan 8.230 nan 0.000 0.417 289 L N 5.062 126.275 121.223 -0.016 0.000 2.477 289 L HA 0.124 4.466 4.340 0.002 0.000 0.272 289 L C 0.426 177.291 176.870 -0.008 0.000 1.157 289 L CA -0.187 54.644 54.840 -0.014 0.000 0.889 289 L CB -0.194 41.858 42.059 -0.013 0.000 1.158 289 L HN 0.753 nan 8.230 nan 0.000 0.473 290 N N 1.489 120.184 118.700 -0.008 0.000 2.756 290 N HA -0.141 4.601 4.740 0.002 0.000 0.248 290 N C -0.476 175.037 175.510 0.006 0.000 1.062 290 N CA 0.853 53.905 53.050 0.003 0.000 0.696 290 N CB -0.980 37.518 38.487 0.017 0.000 0.946 290 N HN 0.688 nan 8.380 nan 0.000 0.548 291 T N 1.256 115.804 114.554 -0.010 0.000 2.841 291 T HA 0.393 4.744 4.350 0.002 0.000 0.285 291 T C -0.306 174.369 174.700 -0.041 0.000 0.991 291 T CA -0.579 61.513 62.100 -0.014 0.000 0.966 291 T CB 2.451 71.306 68.868 -0.021 0.000 0.962 291 T HN -0.024 nan 8.240 nan 0.000 0.438 292 Q N 2.596 122.366 119.800 -0.051 0.000 2.323 292 Q HA 0.533 4.875 4.340 0.002 0.000 0.271 292 Q C -0.982 174.914 176.000 -0.175 0.000 1.048 292 Q CA -0.536 55.168 55.803 -0.165 0.000 0.792 292 Q CB 3.031 31.624 28.738 -0.241 0.000 1.280 292 Q HN 0.653 nan 8.270 nan 0.000 0.441 293 I N 3.011 123.444 120.570 -0.228 0.000 2.382 293 I HA 0.346 4.517 4.170 0.002 0.000 0.286 293 I C -0.976 175.070 176.117 -0.118 0.000 1.002 293 I CA -0.729 60.488 61.300 -0.137 0.000 1.135 293 I CB 0.770 38.621 38.000 -0.248 0.000 1.288 293 I HN 0.436 nan 8.210 nan 0.000 0.448 294 Y N 4.055 124.382 120.300 0.045 0.000 2.496 294 Y HA 0.774 5.325 4.550 0.002 0.000 0.331 294 Y C 0.732 176.712 175.900 0.134 0.000 1.140 294 Y CA -0.801 57.349 58.100 0.083 0.000 1.166 294 Y CB 0.807 39.284 38.460 0.029 0.000 1.249 294 Y HN 0.559 nan 8.280 nan 0.000 0.479 295 R N 0.712 121.394 120.500 0.303 0.000 2.474 295 R HA 0.851 5.193 4.340 0.002 0.000 0.295 295 R C -1.126 175.206 176.300 0.053 0.000 0.980 295 R CA -0.426 55.761 56.100 0.146 0.000 0.934 295 R CB 0.560 30.951 30.300 0.151 0.000 1.101 295 R HN 0.985 nan 8.270 nan 0.000 0.469 296 V N -0.478 119.405 119.914 -0.052 0.000 2.709 296 V HA 0.721 4.842 4.120 0.002 0.000 0.308 296 V C -1.378 174.688 176.094 -0.047 0.000 1.062 296 V CA -1.115 61.161 62.300 -0.040 0.000 0.901 296 V CB 2.472 34.264 31.823 -0.052 0.000 1.003 296 V HN 0.866 nan 8.190 nan 0.000 0.425 297 D N 3.282 123.671 120.400 -0.020 0.000 2.646 297 D HA 0.636 5.277 4.640 0.002 0.000 0.245 297 D C -0.534 175.774 176.300 0.014 0.000 1.099 297 D CA -0.136 53.867 54.000 0.004 0.000 0.849 297 D CB 2.321 43.132 40.800 0.019 0.000 1.448 297 D HN 0.931 nan 8.370 nan 0.000 0.489 298 S N 1.261 116.998 115.700 0.062 0.000 2.503 298 S HA 0.748 5.219 4.470 0.002 0.000 0.301 298 S C -0.504 174.251 174.600 0.258 0.000 1.087 298 S CA -0.769 57.492 58.200 0.102 0.000 1.042 298 S CB 1.670 64.884 63.200 0.022 0.000 1.043 298 S HN 0.312 nan 8.310 nan 0.000 0.489 299 I N 1.853 122.563 120.570 0.233 0.000 3.002 299 I HA 0.487 4.659 4.170 0.002 0.000 0.310 299 I C 0.724 177.060 176.117 0.364 0.000 1.087 299 I CA -0.691 60.735 61.300 0.210 0.000 1.017 299 I CB 2.161 40.217 38.000 0.094 0.000 1.226 299 I HN 1.001 nan 8.210 nan 0.000 0.443 300 S N 2.987 118.846 115.700 0.264 0.000 2.584 300 S HA 0.484 4.955 4.470 0.002 0.000 0.270 300 S C -0.790 174.069 174.600 0.432 0.000 1.346 300 S CA -0.141 58.279 58.200 0.367 0.000 1.018 300 S CB 0.533 63.809 63.200 0.126 0.000 0.899 300 S HN 0.540 nan 8.310 nan 0.000 0.542 301 Y N -1.305 119.113 120.300 0.197 0.000 2.544 301 Y HA 0.716 5.268 4.550 0.002 0.000 0.342 301 Y C -1.274 174.753 175.900 0.211 0.000 1.062 301 Y CA -1.442 56.762 58.100 0.174 0.000 1.023 301 Y CB 0.995 39.553 38.460 0.164 0.000 1.308 301 Y HN 0.530 nan 8.280 nan 0.000 0.457 302 N N 2.530 121.309 118.700 0.133 0.000 2.400 302 N HA 0.554 5.295 4.740 0.002 0.000 0.288 302 N C -1.537 174.028 175.510 0.091 0.000 1.024 302 N CA -0.500 52.586 53.050 0.060 0.000 0.894 302 N CB 1.521 40.043 38.487 0.058 0.000 1.173 302 N HN 0.552 nan 8.380 nan 0.000 0.487 303 I N 2.422 123.048 120.570 0.094 0.000 2.476 303 I HA 0.366 4.538 4.170 0.002 0.000 0.281 303 I C 1.006 177.180 176.117 0.095 0.000 1.040 303 I CA 0.219 61.572 61.300 0.088 0.000 1.094 303 I CB -0.054 37.973 38.000 0.046 0.000 1.219 303 I HN 0.737 nan 8.210 nan 0.000 0.450 304 Q N 5.792 125.628 119.800 0.061 0.000 1.351 304 Q HA -0.333 4.008 4.340 0.002 0.000 0.305 304 Q C 0.373 176.400 176.000 0.044 0.000 0.944 304 Q CA 1.794 57.626 55.803 0.049 0.000 0.833 304 Q CB -1.362 27.411 28.738 0.058 0.000 3.590 304 Q HN 0.719 nan 8.270 nan 0.000 0.523 305 N N 1.116 119.839 118.700 0.039 0.000 2.338 305 N HA 0.494 5.236 4.740 0.002 0.000 0.251 305 N C -0.189 175.316 175.510 -0.009 0.000 1.199 305 N CA 1.655 54.713 53.050 0.014 0.000 0.879 305 N CB 0.461 38.951 38.487 0.005 0.000 1.159 305 N HN 1.141 nan 8.380 nan 0.000 0.514 306 R N 0.200 120.707 120.500 0.012 0.000 2.670 306 R HA 0.609 4.950 4.340 0.002 0.000 0.289 306 R C -0.710 175.481 176.300 -0.181 0.000 0.965 306 R CA -0.799 55.244 56.100 -0.094 0.000 0.899 306 R CB 0.440 30.741 30.300 0.001 0.000 1.173 306 R HN 0.517 nan 8.270 nan 0.000 0.456 307 E N 1.550 121.517 120.200 -0.390 0.000 2.151 307 E HA 0.510 4.861 4.350 0.002 0.000 0.275 307 E C -1.235 175.001 176.600 -0.608 0.000 0.936 307 E CA -0.490 55.706 56.400 -0.341 0.000 0.777 307 E CB 0.803 30.391 29.700 -0.187 0.000 1.108 307 E HN 0.597 nan 8.360 nan 0.000 0.401 308 W N 3.352 124.458 121.300 -0.323 0.000 2.762 308 W HA 0.514 5.175 4.660 0.002 0.000 0.355 308 W C -1.045 175.571 176.519 0.162 0.000 1.124 308 W CA -0.665 56.546 57.345 -0.223 0.000 1.141 308 W CB 1.026 30.164 29.460 -0.536 0.000 1.432 308 W HN 0.422 nan 8.180 nan 0.000 0.586 309 Y N 1.421 121.985 120.300 0.440 0.000 2.480 309 Y HA 0.579 5.131 4.550 0.002 0.000 0.329 309 Y C -1.565 174.516 175.900 0.302 0.000 1.127 309 Y CA -2.008 56.310 58.100 0.363 0.000 1.037 309 Y CB 1.080 39.643 38.460 0.172 0.000 1.320 309 Y HN 0.358 nan 8.280 nan 0.000 0.446 310 I N 8.631 128.896 120.570 -0.509 0.000 2.420 310 I HA 0.381 4.552 4.170 0.002 0.000 0.282 310 I C -2.571 173.065 176.117 -0.801 0.000 1.019 310 I CA -1.966 59.034 61.300 -0.500 0.000 1.130 310 I CB 1.951 39.814 38.000 -0.227 0.000 1.262 310 I HN 0.373 nan 8.210 nan 0.000 0.454 311 P HA 0.423 nan 4.420 nan 0.000 0.286 311 P C -1.022 176.179 177.300 -0.166 0.000 1.269 311 P CA -0.147 62.725 63.100 -0.380 0.000 0.787 311 P CB 1.774 33.386 31.700 -0.146 0.000 0.920 312 L N 3.913 125.079 121.223 -0.095 0.000 2.341 312 L HA 0.564 4.905 4.340 0.002 0.000 0.254 312 L C -1.921 174.951 176.870 0.003 0.000 1.040 312 L CA -2.343 52.470 54.840 -0.045 0.000 0.837 312 L CB 2.176 44.195 42.059 -0.067 0.000 1.425 312 L HN 0.276 nan 8.230 nan 0.000 0.414 313 P HA 0.169 nan 4.420 nan 0.000 0.274 313 P C 0.036 177.347 177.300 0.019 0.000 1.260 313 P CA -0.349 62.802 63.100 0.084 0.000 0.793 313 P CB 0.768 32.588 31.700 0.201 0.000 1.048 314 S N -1.411 114.292 115.700 0.006 0.000 2.406 314 S HA -0.023 4.448 4.470 0.002 0.000 0.228 314 S C 0.662 175.016 174.600 -0.409 0.000 1.020 314 S CA 0.834 58.919 58.200 -0.193 0.000 0.965 314 S CB -0.409 62.670 63.200 -0.203 0.000 0.798 314 S HN 0.533 nan 8.310 nan 0.000 0.488 315 H N -0.617 118.473 119.070 0.033 0.000 2.679 315 H HA 0.500 5.058 4.556 0.002 0.000 0.360 315 H C -0.853 174.443 175.328 -0.053 0.000 1.105 315 H CA -0.632 55.413 56.048 -0.004 0.000 1.196 315 H CB 1.353 31.079 29.762 -0.059 0.000 1.636 315 H HN 0.094 nan 8.280 nan 0.000 0.531 316 I N 2.584 123.212 120.570 0.096 0.000 2.607 316 I HA 0.346 4.518 4.170 0.002 0.000 0.305 316 I C 0.043 176.198 176.117 0.064 0.000 0.995 316 I CA -0.641 60.667 61.300 0.014 0.000 1.148 316 I CB 2.161 40.161 38.000 0.000 0.000 1.323 316 I HN 0.319 nan 8.210 nan 0.000 0.461 317 M N 3.012 122.601 119.600 -0.019 0.000 2.716 317 M HA 0.523 5.005 4.480 0.002 0.000 0.307 317 M C -1.326 175.007 176.300 0.055 0.000 1.223 317 M CA -0.145 55.157 55.300 0.002 0.000 0.871 317 M CB 2.397 34.942 32.600 -0.093 0.000 1.739 317 M HN 0.476 nan 8.290 nan 0.000 0.475 318 T N 2.367 116.967 114.554 0.077 0.000 3.066 318 T HA 0.501 4.853 4.350 0.002 0.000 0.318 318 T C -1.119 173.625 174.700 0.073 0.000 0.979 318 T CA -0.649 61.510 62.100 0.100 0.000 1.025 318 T CB 1.058 70.031 68.868 0.176 0.000 1.002 318 T HN 0.664 nan 8.240 nan 0.000 0.453 319 K N 1.723 122.175 120.400 0.086 0.000 2.367 319 K HA 0.825 5.146 4.320 0.002 0.000 0.263 319 K C 0.959 177.654 176.600 0.159 0.000 1.000 319 K CA -0.115 56.215 56.287 0.071 0.000 0.891 319 K CB 0.567 33.072 32.500 0.009 0.000 1.117 319 K HN 1.244 nan 8.250 nan 0.000 0.443 320 G N 1.189 110.064 108.800 0.125 0.000 2.596 320 G HA2 0.012 3.974 3.960 0.002 0.000 0.295 320 G HA3 0.012 3.974 3.960 0.002 0.000 0.295 320 G C 1.184 176.187 174.900 0.171 0.000 1.240 320 G CA 0.916 46.114 45.100 0.164 0.000 0.985 320 G HN 2.059 nan 8.290 nan 0.000 0.555 321 A N -0.423 122.506 122.820 0.181 0.000 2.412 321 A HA 0.656 4.978 4.320 0.002 0.000 0.253 321 A C 0.023 177.459 177.584 -0.246 0.000 1.334 321 A CA 0.376 52.380 52.037 -0.054 0.000 0.929 321 A CB -0.468 18.432 19.000 -0.167 0.000 0.983 321 A HN 0.674 nan 8.150 nan 0.000 0.508 322 F N -0.690 119.252 119.950 -0.013 0.000 2.508 322 F HA 0.655 5.183 4.527 0.002 0.000 0.325 322 F C -0.251 175.530 175.800 -0.031 0.000 1.090 322 F CA -1.576 56.411 58.000 -0.022 0.000 0.945 322 F CB 2.022 41.008 39.000 -0.022 0.000 1.156 322 F HN 0.116 nan 8.300 nan 0.000 0.463 323 L N 0.710 121.999 121.223 0.110 0.000 2.388 323 L HA 1.136 5.477 4.340 0.002 0.000 0.264 323 L C -0.586 176.275 176.870 -0.016 0.000 0.998 323 L CA -0.345 54.512 54.840 0.029 0.000 0.817 323 L CB 2.018 44.065 42.059 -0.021 0.000 1.338 323 L HN 0.716 nan 8.230 nan 0.000 0.414 324 G N 0.008 108.755 108.800 -0.089 0.000 2.619 324 G HA2 0.608 4.569 3.960 0.002 0.000 0.305 324 G HA3 0.608 4.569 3.960 0.002 0.000 0.305 324 G C -1.265 173.421 174.900 -0.357 0.000 1.330 324 G CA -0.397 44.584 45.100 -0.198 0.000 0.789 324 G HN 0.941 nan 8.290 nan 0.000 0.487 325 G N -1.018 107.318 108.800 -0.773 0.000 2.389 325 G HA2 0.716 4.677 3.960 0.002 0.000 0.317 325 G HA3 0.716 4.677 3.960 0.002 0.000 0.317 325 G C -0.202 174.024 174.900 -1.124 0.000 1.137 325 G CA 0.478 44.968 45.100 -1.018 0.000 0.870 325 G HN 1.399 nan 8.290 nan 0.000 0.496 326 A N 1.461 124.027 122.820 -0.423 0.000 2.288 326 A HA 0.560 4.881 4.320 0.002 0.000 0.320 326 A C -0.658 176.982 177.584 0.094 0.000 1.217 326 A CA -0.587 51.348 52.037 -0.170 0.000 0.840 326 A CB 1.309 20.205 19.000 -0.174 0.000 1.179 326 A HN 0.564 nan 8.150 nan 0.000 0.504 327 D N 2.826 123.375 120.400 0.248 0.000 2.456 327 D HA 0.264 4.906 4.640 0.002 0.000 0.219 327 D C 0.796 177.118 176.300 0.036 0.000 1.126 327 D CA -0.240 53.898 54.000 0.230 0.000 0.890 327 D CB 0.896 41.833 40.800 0.228 0.000 1.025 327 D HN 0.353 nan 8.370 nan 0.000 0.511 328 V N 0.947 120.823 119.914 -0.063 0.000 3.563 328 V HA 0.196 4.317 4.120 0.002 0.000 0.299 328 V C 2.210 178.287 176.094 -0.029 0.000 1.290 328 V CA 0.574 62.787 62.300 -0.145 0.000 1.201 328 V CB -1.011 30.566 31.823 -0.410 0.000 1.045 328 V HN 0.399 nan 8.190 nan 0.000 0.425 329 K N 1.245 121.654 120.400 0.015 0.000 2.059 329 K HA -0.233 4.089 4.320 0.002 0.000 0.212 329 K C 1.825 178.437 176.600 0.020 0.000 1.050 329 K CA 2.412 58.715 56.287 0.027 0.000 0.927 329 K CB -0.959 31.556 32.500 0.024 0.000 0.714 329 K HN 0.720 nan 8.250 nan 0.000 0.447 330 E N -1.129 119.079 120.200 0.014 0.000 2.478 330 E HA 0.105 4.456 4.350 0.002 0.000 0.194 330 E C 0.425 177.038 176.600 0.022 0.000 1.045 330 E CA -0.203 56.206 56.400 0.015 0.000 0.868 330 E CB -0.193 29.514 29.700 0.012 0.000 0.885 330 E HN 0.627 nan 8.360 nan 0.000 0.505 331 c N 0.465 119.082 118.600 0.029 0.000 2.517 331 c HA 0.469 5.040 4.570 0.002 0.000 0.357 331 c C 0.539 174.678 174.090 0.081 0.000 1.485 331 c CA -0.662 55.703 56.329 0.060 0.000 2.148 331 c CB 0.290 42.847 42.510 0.077 0.000 2.019 331 c HN 0.193 nan 8.230 nan 0.000 0.576 332 I N 0.598 121.232 120.570 0.106 0.000 2.569 332 I HA 0.281 4.452 4.170 0.002 0.000 0.290 332 I C -0.418 175.730 176.117 0.052 0.000 1.088 332 I CA -0.113 61.225 61.300 0.063 0.000 1.047 332 I CB 1.618 39.622 38.000 0.007 0.000 1.237 332 I HN 0.722 nan 8.210 nan 0.000 0.421 333 E N 4.993 125.173 120.200 -0.033 0.000 2.223 333 E HA 0.563 4.914 4.350 0.002 0.000 0.282 333 E C -0.493 176.050 176.600 -0.095 0.000 1.046 333 E CA -0.219 56.000 56.400 -0.301 0.000 0.857 333 E CB 1.217 30.710 29.700 -0.344 0.000 1.055 333 E HN 0.720 nan 8.360 nan 0.000 0.409 334 A N 4.140 126.901 122.820 -0.099 0.000 2.951 334 A HA 0.262 4.583 4.320 0.002 0.000 0.239 334 A C 0.407 178.055 177.584 0.106 0.000 1.623 334 A CA -0.489 51.638 52.037 0.150 0.000 0.868 334 A CB -0.154 18.902 19.000 0.094 0.000 1.712 334 A HN 0.837 nan 8.150 nan 0.000 0.558 335 F N 0.826 120.718 119.950 -0.096 0.000 2.098 335 F HA -0.040 4.488 4.527 0.002 0.000 0.294 335 F C 2.007 177.758 175.800 -0.081 0.000 1.107 335 F CA 2.363 60.270 58.000 -0.156 0.000 1.234 335 F CB -0.227 38.730 39.000 -0.073 0.000 1.002 335 F HN 0.329 nan 8.300 nan 0.000 0.472 336 S N -0.935 114.541 115.700 -0.373 0.000 2.650 336 S HA 0.442 4.913 4.470 0.002 0.000 0.240 336 S C -0.038 174.435 174.600 -0.211 0.000 1.007 336 S CA 0.144 58.069 58.200 -0.457 0.000 0.984 336 S CB -0.608 62.371 63.200 -0.368 0.000 0.910 336 S HN 0.452 nan 8.310 nan 0.000 0.509 337 S N -0.328 115.278 115.700 -0.157 0.000 2.627 337 S HA 0.613 5.084 4.470 0.002 0.000 0.268 337 S C -1.894 172.643 174.600 -0.105 0.000 1.130 337 S CA -0.982 57.176 58.200 -0.070 0.000 0.819 337 S CB 0.221 63.420 63.200 -0.002 0.000 1.100 337 S HN 0.159 nan 8.310 nan 0.000 0.465 338 Y N 1.114 121.396 120.300 -0.029 0.000 2.342 338 Y HA 0.640 5.191 4.550 0.002 0.000 0.334 338 Y C 0.328 176.224 175.900 -0.007 0.000 1.067 338 Y CA -1.009 57.080 58.100 -0.020 0.000 1.128 338 Y CB 1.241 39.668 38.460 -0.055 0.000 1.200 338 Y HN 0.769 nan 8.280 nan 0.000 0.464 339 I N 1.361 122.009 120.570 0.129 0.000 2.312 339 I HA 0.644 4.815 4.170 0.002 0.000 0.290 339 I C -0.959 175.210 176.117 0.086 0.000 1.008 339 I CA -0.609 60.745 61.300 0.090 0.000 1.226 339 I CB 0.252 38.291 38.000 0.065 0.000 1.371 339 I HN 0.440 nan 8.210 nan 0.000 0.468 340 c N 6.445 125.087 118.600 0.070 0.000 2.562 340 c HA 0.579 5.150 4.570 0.002 0.000 0.332 340 c C -1.259 172.855 174.090 0.041 0.000 1.201 340 c CA -0.660 55.698 56.329 0.050 0.000 1.803 340 c CB 2.047 44.576 42.510 0.031 0.000 2.328 340 c HN 0.638 nan 8.230 nan 0.000 0.500 341 P HA 0.016 nan 4.420 nan 0.000 0.225 341 P C 0.015 177.333 177.300 0.030 0.000 1.156 341 P CA 1.071 64.192 63.100 0.035 0.000 0.787 341 P CB 0.192 31.909 31.700 0.029 0.000 0.802 342 S N -2.753 112.960 115.700 0.022 0.000 2.597 342 S HA 0.231 4.702 4.470 0.002 0.000 0.274 342 S C -1.445 173.159 174.600 0.007 0.000 1.132 342 S CA -1.094 57.115 58.200 0.015 0.000 0.835 342 S CB 0.210 63.419 63.200 0.014 0.000 1.092 342 S HN -0.168 nan 8.310 nan 0.000 0.457 343 D N 2.426 122.826 120.400 0.001 0.000 2.581 343 D HA 0.180 4.821 4.640 0.002 0.000 0.238 343 D C -0.643 175.656 176.300 -0.001 0.000 1.145 343 D CA -0.546 53.449 54.000 -0.008 0.000 0.866 343 D CB 0.811 41.603 40.800 -0.014 0.000 1.151 343 D HN 0.365 nan 8.370 nan 0.000 0.500 344 P HA 0.130 nan 4.420 nan 0.000 0.251 344 P C 0.615 177.943 177.300 0.046 0.000 1.223 344 P CA -0.240 62.864 63.100 0.006 0.000 0.796 344 P CB 0.252 31.920 31.700 -0.054 0.000 1.068 345 G N 1.238 110.034 108.800 -0.008 0.000 2.630 345 G HA2 0.310 4.271 3.960 0.002 0.000 0.236 345 G HA3 0.310 4.271 3.960 0.002 0.000 0.236 345 G C -0.536 174.416 174.900 0.087 0.000 1.248 345 G CA -0.031 45.041 45.100 -0.047 0.000 0.844 345 G HN 0.284 nan 8.290 nan 0.000 0.588 346 F N -1.115 118.823 119.950 -0.020 0.000 2.693 346 F HA 0.604 5.133 4.527 0.002 0.000 0.309 346 F C -0.904 174.885 175.800 -0.018 0.000 1.129 346 F CA -1.710 56.278 58.000 -0.020 0.000 0.948 346 F CB 0.838 39.827 39.000 -0.018 0.000 1.315 346 F HN 0.449 nan 8.300 nan 0.000 0.447 347 V N 3.240 123.317 119.914 0.271 0.000 2.607 347 V HA 0.480 4.601 4.120 0.002 0.000 0.289 347 V C 0.255 176.466 176.094 0.196 0.000 1.053 347 V CA -0.630 61.744 62.300 0.122 0.000 0.996 347 V CB 1.248 33.103 31.823 0.053 0.000 0.995 347 V HN 0.729 nan 8.190 nan 0.000 0.476 348 L N 3.203 124.456 121.223 0.050 0.000 2.387 348 L HA 0.526 4.868 4.340 0.002 0.000 0.266 348 L C 0.163 177.006 176.870 -0.045 0.000 1.059 348 L CA -0.950 53.924 54.840 0.057 0.000 0.801 348 L CB 0.876 42.935 42.059 0.001 0.000 1.223 348 L HN 0.798 nan 8.230 nan 0.000 0.456 349 N N -1.177 117.504 118.700 -0.032 0.000 2.520 349 N HA 0.054 4.795 4.740 0.002 0.000 0.273 349 N C 0.776 176.240 175.510 -0.077 0.000 1.155 349 N CA -0.447 52.550 53.050 -0.087 0.000 0.967 349 N CB 0.282 38.770 38.487 0.002 0.000 1.092 349 N HN 0.494 nan 8.380 nan 0.000 0.457 350 H N 0.732 119.813 119.070 0.018 0.000 2.427 350 H HA -0.269 4.288 4.556 0.002 0.000 0.284 350 H C 0.733 176.057 175.328 -0.006 0.000 1.132 350 H CA 2.381 58.432 56.048 0.005 0.000 1.149 350 H CB -0.103 29.662 29.762 0.004 0.000 1.349 350 H HN 0.716 nan 8.280 nan 0.000 0.482 351 E N 0.281 120.545 120.200 0.106 0.000 2.007 351 E HA -0.130 4.221 4.350 0.002 0.000 0.194 351 E C 2.661 179.268 176.600 0.011 0.000 0.999 351 E CA 1.273 57.701 56.400 0.048 0.000 0.811 351 E CB -0.305 29.416 29.700 0.036 0.000 0.762 351 E HN 0.391 nan 8.360 nan 0.000 0.450 352 M N 0.195 119.795 119.600 -0.001 0.000 2.108 352 M HA -0.225 4.256 4.480 0.002 0.000 0.261 352 M C 2.354 178.634 176.300 -0.033 0.000 1.066 352 M CA 1.527 56.813 55.300 -0.024 0.000 1.107 352 M CB -0.306 32.283 32.600 -0.018 0.000 1.356 352 M HN 0.136 nan 8.290 nan 0.000 0.406 353 E N 0.028 120.213 120.200 -0.025 0.000 2.070 353 E HA -0.189 4.163 4.350 0.002 0.000 0.197 353 E C 1.956 178.540 176.600 -0.027 0.000 1.004 353 E CA 1.823 58.205 56.400 -0.031 0.000 0.805 353 E CB 0.123 29.808 29.700 -0.026 0.000 0.744 353 E HN 0.408 nan 8.360 nan 0.000 0.451 354 S N -0.339 115.357 115.700 -0.007 0.000 2.371 354 S HA -0.150 4.322 4.470 0.002 0.000 0.224 354 S C 2.051 176.628 174.600 -0.038 0.000 1.029 354 S CA 0.743 58.933 58.200 -0.017 0.000 0.978 354 S CB -0.343 62.856 63.200 -0.001 0.000 0.833 354 S HN 0.526 nan 8.310 nan 0.000 0.466 355 c N 2.319 120.895 118.600 -0.041 0.000 2.388 355 c HA -0.083 4.488 4.570 0.002 0.000 0.277 355 c C 2.440 176.484 174.090 -0.077 0.000 1.210 355 c CA 0.893 57.187 56.329 -0.060 0.000 1.743 355 c CB -1.564 40.909 42.510 -0.062 0.000 2.047 355 c HN 0.578 nan 8.230 nan 0.000 0.458 356 L N 1.724 122.898 121.223 -0.081 0.000 2.042 356 L HA -0.124 4.217 4.340 0.002 0.000 0.210 356 L C 2.872 179.682 176.870 -0.101 0.000 1.076 356 L CA 2.165 56.944 54.840 -0.101 0.000 0.749 356 L CB -0.732 41.265 42.059 -0.103 0.000 0.893 356 L HN 0.650 nan 8.230 nan 0.000 0.432 357 S N -1.326 114.325 115.700 -0.083 0.000 2.481 357 S HA 0.060 4.531 4.470 0.002 0.000 0.231 357 S C 1.500 176.056 174.600 -0.073 0.000 0.996 357 S CA 0.820 58.972 58.200 -0.080 0.000 0.942 357 S CB 0.492 63.651 63.200 -0.069 0.000 0.768 357 S HN 0.578 nan 8.310 nan 0.000 0.520 358 G N 1.411 110.170 108.800 -0.068 0.000 3.345 358 G HA2 -0.166 3.795 3.960 0.002 0.000 0.199 358 G HA3 -0.166 3.795 3.960 0.002 0.000 0.199 358 G C 0.098 174.968 174.900 -0.050 0.000 1.057 358 G CA -0.171 44.893 45.100 -0.059 0.000 0.865 358 G HN 0.394 nan 8.290 nan 0.000 0.449 359 N N 2.511 121.183 118.700 -0.046 0.000 3.027 359 N HA 0.102 4.843 4.740 0.002 0.000 0.309 359 N C 1.848 177.331 175.510 -0.045 0.000 1.222 359 N CA -0.169 52.857 53.050 -0.041 0.000 1.187 359 N CB -0.346 38.120 38.487 -0.034 0.000 1.458 359 N HN 0.329 nan 8.380 nan 0.000 0.535 360 I N 0.381 120.921 120.570 -0.050 0.000 2.597 360 I HA -0.294 3.877 4.170 0.002 0.000 0.262 360 I C 2.135 178.216 176.117 -0.060 0.000 1.194 360 I CA 0.921 62.187 61.300 -0.058 0.000 1.437 360 I CB -1.378 36.590 38.000 -0.053 0.000 1.096 360 I HN 0.423 nan 8.210 nan 0.000 0.451 361 S N 0.522 116.190 115.700 -0.053 0.000 2.500 361 S HA -0.149 4.322 4.470 0.002 0.000 0.239 361 S C 1.566 176.135 174.600 -0.053 0.000 0.989 361 S CA 0.676 58.841 58.200 -0.058 0.000 0.951 361 S CB -0.110 63.061 63.200 -0.048 0.000 0.759 361 S HN 0.481 nan 8.310 nan 0.000 0.523 362 Q N 0.150 119.924 119.800 -0.043 0.000 2.319 362 Q HA 0.284 4.626 4.340 0.002 0.000 0.209 362 Q C 0.453 176.435 176.000 -0.030 0.000 0.884 362 Q CA -0.072 55.713 55.803 -0.030 0.000 0.938 362 Q CB -0.475 28.253 28.738 -0.017 0.000 1.098 362 Q HN 0.565 nan 8.270 nan 0.000 0.517 363 c N 4.067 122.640 118.600 -0.045 0.000 2.437 363 c HA 0.006 4.577 4.570 0.002 0.000 0.399 363 c C -1.506 172.571 174.090 -0.022 0.000 1.478 363 c CA -0.780 55.522 56.329 -0.045 0.000 1.538 363 c CB -0.572 41.898 42.510 -0.066 0.000 2.506 363 c HN 0.239 nan 8.230 nan 0.000 0.603 364 P HA 0.044 nan 4.420 nan 0.000 0.246 364 P C 0.116 177.435 177.300 0.032 0.000 1.675 364 P CA 0.231 63.336 63.100 0.008 0.000 0.908 364 P CB -0.341 31.355 31.700 -0.006 0.000 1.890 365 R N -0.379 120.166 120.500 0.075 0.000 2.539 365 R HA 0.516 4.857 4.340 0.002 0.000 0.275 365 R C -0.059 176.422 176.300 0.303 0.000 1.077 365 R CA -0.367 55.852 56.100 0.198 0.000 1.097 365 R CB 0.008 30.459 30.300 0.253 0.000 1.018 365 R HN 0.084 nan 8.270 nan 0.000 0.483 366 T N -1.085 113.676 114.554 0.345 0.000 2.876 366 T HA 0.394 4.745 4.350 0.002 0.000 0.289 366 T C 0.180 175.003 174.700 0.205 0.000 1.014 366 T CA -0.852 61.412 62.100 0.273 0.000 0.986 366 T CB 1.659 70.635 68.868 0.179 0.000 1.021 366 T HN 0.657 nan 8.240 nan 0.000 0.458 367 V N 1.904 121.789 119.914 -0.049 0.000 2.637 367 V HA 0.620 4.742 4.120 0.002 0.000 0.296 367 V C 0.624 176.611 176.094 -0.178 0.000 1.046 367 V CA -0.694 61.358 62.300 -0.413 0.000 1.066 367 V CB 0.558 32.074 31.823 -0.511 0.000 0.968 367 V HN 1.054 nan 8.190 nan 0.000 0.483 368 V N 4.893 124.691 119.914 -0.193 0.000 2.432 368 V HA 0.548 4.669 4.120 0.002 0.000 0.275 368 V C 0.529 176.549 176.094 -0.124 0.000 1.043 368 V CA -0.135 62.108 62.300 -0.094 0.000 0.925 368 V CB 1.116 32.898 31.823 -0.069 0.000 0.985 368 V HN 1.145 nan 8.190 nan 0.000 0.466 369 K N 3.709 124.059 120.400 -0.084 0.000 2.517 369 K HA 0.281 4.603 4.320 0.002 0.000 0.210 369 K C 0.339 176.906 176.600 -0.056 0.000 1.166 369 K CA 0.135 56.376 56.287 -0.076 0.000 1.030 369 K CB 0.881 33.340 32.500 -0.068 0.000 0.974 369 K HN 0.710 nan 8.250 nan 0.000 0.585 370 S N 0.332 116.000 115.700 -0.054 0.000 2.532 370 S HA 0.240 4.711 4.470 0.002 0.000 0.301 370 S C -0.033 174.533 174.600 -0.058 0.000 1.083 370 S CA -0.466 57.706 58.200 -0.046 0.000 1.025 370 S CB 1.623 64.802 63.200 -0.035 0.000 1.056 370 S HN 0.092 nan 8.310 nan 0.000 0.494 371 D N 2.791 123.163 120.400 -0.045 0.000 2.378 371 D HA 0.015 4.656 4.640 0.002 0.000 0.222 371 D C 1.582 177.845 176.300 -0.060 0.000 0.980 371 D CA 0.550 54.523 54.000 -0.045 0.000 0.907 371 D CB 0.047 40.833 40.800 -0.024 0.000 0.899 371 D HN 0.471 nan 8.370 nan 0.000 0.527 372 I N 0.535 121.066 120.570 -0.066 0.000 2.353 372 I HA -0.079 4.093 4.170 0.002 0.000 0.248 372 I C 1.109 177.141 176.117 -0.142 0.000 1.119 372 I CA 0.461 61.715 61.300 -0.077 0.000 1.417 372 I CB -1.132 36.837 38.000 -0.051 0.000 1.078 372 I HN -0.089 nan 8.210 nan 0.000 0.421 373 V N 2.319 122.117 119.914 -0.193 0.000 2.557 373 V HA 0.116 4.237 4.120 0.002 0.000 0.301 373 V C -2.073 173.801 176.094 -0.366 0.000 1.026 373 V CA -1.332 60.734 62.300 -0.390 0.000 1.137 373 V CB -0.571 30.974 31.823 -0.465 0.000 0.917 373 V HN 0.124 nan 8.190 nan 0.000 0.484 374 P HA 0.331 nan 4.420 nan 0.000 0.276 374 P C -0.393 176.731 177.300 -0.294 0.000 1.230 374 P CA -0.365 62.516 63.100 -0.364 0.000 0.776 374 P CB 0.887 32.383 31.700 -0.339 0.000 0.888 375 R N 2.276 122.644 120.500 -0.219 0.000 2.509 375 R HA 0.222 4.564 4.340 0.002 0.000 0.300 375 R C -0.249 176.090 176.300 0.065 0.000 0.985 375 R CA -0.120 55.955 56.100 -0.042 0.000 1.092 375 R CB -0.043 30.276 30.300 0.031 0.000 1.237 375 R HN 0.607 nan 8.270 nan 0.000 0.546 376 Y N -2.977 117.276 120.300 -0.078 0.000 2.641 376 Y HA 0.744 5.295 4.550 0.002 0.000 0.333 376 Y C -1.842 173.929 175.900 -0.215 0.000 1.174 376 Y CA -1.908 56.105 58.100 -0.145 0.000 1.057 376 Y CB 0.923 39.279 38.460 -0.174 0.000 1.322 376 Y HN -0.119 nan 8.280 nan 0.000 0.457 377 A N 1.647 124.411 122.820 -0.094 0.000 2.589 377 A HA 0.745 5.067 4.320 0.002 0.000 0.296 377 A C -2.301 175.115 177.584 -0.281 0.000 1.062 377 A CA -0.849 51.081 52.037 -0.178 0.000 0.686 377 A CB 0.800 19.770 19.000 -0.051 0.000 1.282 377 A HN 0.621 nan 8.150 nan 0.000 0.404 378 F N 1.229 121.208 119.950 0.048 0.000 2.411 378 F HA 0.536 5.064 4.527 0.002 0.000 0.350 378 F C 0.614 176.425 175.800 0.018 0.000 1.114 378 F CA -0.475 57.528 58.000 0.005 0.000 1.135 378 F CB 1.726 40.691 39.000 -0.058 0.000 1.120 378 F HN 0.513 nan 8.300 nan 0.000 0.495 379 V N 0.936 120.947 119.914 0.161 0.000 2.789 379 V HA 0.455 4.576 4.120 0.002 0.000 0.311 379 V C -0.439 175.724 176.094 0.115 0.000 1.073 379 V CA -1.661 60.710 62.300 0.117 0.000 0.921 379 V CB 1.778 33.643 31.823 0.071 0.000 1.009 379 V HN 0.844 nan 8.190 nan 0.000 0.426 380 N N 2.013 120.774 118.700 0.100 0.000 2.969 380 N HA -0.176 4.565 4.740 0.002 0.000 0.309 380 N C 0.739 176.311 175.510 0.104 0.000 1.102 380 N CA 1.525 54.629 53.050 0.090 0.000 0.802 380 N CB -1.289 37.242 38.487 0.072 0.000 0.990 380 N HN 2.520 nan 8.380 nan 0.000 0.611 381 G N 0.118 108.990 108.800 0.120 0.000 2.354 381 G HA2 0.343 4.304 3.960 0.002 0.000 0.278 381 G HA3 0.343 4.304 3.960 0.002 0.000 0.278 381 G C 0.527 175.574 174.900 0.244 0.000 0.953 381 G CA 0.711 45.906 45.100 0.159 0.000 1.346 381 G HN 1.979 nan 8.290 nan 0.000 0.467 382 G N -2.069 106.904 108.800 0.289 0.000 2.356 382 G HA2 0.543 4.504 3.960 0.002 0.000 0.300 382 G HA3 0.543 4.504 3.960 0.002 0.000 0.300 382 G C -1.084 173.882 174.900 0.110 0.000 1.331 382 G CA 0.052 45.264 45.100 0.187 0.000 0.905 382 G HN 1.413 nan 8.290 nan 0.000 0.587 383 V N -0.615 119.295 119.914 -0.008 0.000 2.823 383 V HA 0.769 4.891 4.120 0.002 0.000 0.312 383 V C -0.171 175.885 176.094 -0.064 0.000 1.072 383 V CA -0.785 61.461 62.300 -0.089 0.000 0.937 383 V CB 1.921 33.638 31.823 -0.176 0.000 1.013 383 V HN 0.849 nan 8.190 nan 0.000 0.430 384 V N 2.933 122.808 119.914 -0.066 0.000 2.495 384 V HA 0.962 5.083 4.120 0.002 0.000 0.298 384 V C 0.119 176.213 176.094 0.001 0.000 1.031 384 V CA -0.053 62.235 62.300 -0.020 0.000 0.871 384 V CB 1.462 33.280 31.823 -0.007 0.000 0.988 384 V HN 1.149 nan 8.190 nan 0.000 0.432 385 A N 3.727 126.564 122.820 0.027 0.000 2.599 385 A HA 0.652 4.973 4.320 0.002 0.000 0.290 385 A C -1.033 176.595 177.584 0.074 0.000 1.101 385 A CA -0.689 51.389 52.037 0.068 0.000 0.674 385 A CB 1.662 20.701 19.000 0.064 0.000 1.277 385 A HN 0.616 nan 8.150 nan 0.000 0.419 386 N N 0.751 119.505 118.700 0.091 0.000 2.558 386 N HA 0.172 4.913 4.740 0.002 0.000 0.233 386 N C 0.271 175.821 175.510 0.067 0.000 1.038 386 N CA -0.237 52.868 53.050 0.091 0.000 0.934 386 N CB 0.692 39.240 38.487 0.101 0.000 1.175 386 N HN 0.518 nan 8.380 nan 0.000 0.512 387 c N 3.220 121.852 118.600 0.053 0.000 2.576 387 c HA 0.199 4.770 4.570 0.002 0.000 0.267 387 c C 2.396 176.504 174.090 0.030 0.000 1.364 387 c CA -0.271 56.079 56.329 0.035 0.000 1.723 387 c CB -1.242 41.283 42.510 0.024 0.000 1.778 387 c HN 0.734 nan 8.230 nan 0.000 0.572 388 I N 1.423 122.015 120.570 0.037 0.000 2.339 388 I HA -0.102 4.070 4.170 0.002 0.000 0.245 388 I C 2.669 178.798 176.117 0.019 0.000 1.096 388 I CA 1.901 63.217 61.300 0.027 0.000 1.408 388 I CB -0.275 37.744 38.000 0.031 0.000 1.092 388 I HN 0.403 nan 8.210 nan 0.000 0.423 389 T N -3.477 111.091 114.554 0.023 0.000 3.081 389 T HA 0.100 4.452 4.350 0.002 0.000 0.250 389 T C 0.697 175.411 174.700 0.023 0.000 1.100 389 T CA 0.125 62.233 62.100 0.014 0.000 1.038 389 T CB -0.100 68.771 68.868 0.006 0.000 0.962 389 T HN -0.002 nan 8.240 nan 0.000 0.516 390 T N 2.798 117.372 114.554 0.034 0.000 2.861 390 T HA 0.517 4.869 4.350 0.002 0.000 0.287 390 T C -0.338 174.373 174.700 0.019 0.000 1.003 390 T CA -0.653 61.471 62.100 0.041 0.000 0.977 390 T CB 1.728 70.643 68.868 0.078 0.000 0.996 390 T HN 0.396 nan 8.240 nan 0.000 0.448 391 T N 0.380 114.938 114.554 0.006 0.000 2.739 391 T HA 0.349 4.700 4.350 0.002 0.000 0.298 391 T C 0.129 174.816 174.700 -0.022 0.000 0.929 391 T CA -0.690 61.406 62.100 -0.007 0.000 1.014 391 T CB -1.045 67.817 68.868 -0.011 0.000 0.914 391 T HN 0.597 nan 8.240 nan 0.000 0.509 392 c N 5.480 124.070 118.600 -0.018 0.000 2.265 392 c HA 0.664 5.235 4.570 0.002 0.000 0.332 392 c C 1.394 175.468 174.090 -0.027 0.000 1.248 392 c CA -0.846 55.466 56.329 -0.029 0.000 1.727 392 c CB -0.857 41.642 42.510 -0.019 0.000 2.348 392 c HN 1.051 nan 8.230 nan 0.000 0.519 393 T N -0.262 114.270 114.554 -0.036 0.000 2.944 393 T HA 0.375 4.726 4.350 0.002 0.000 0.284 393 T C 0.595 175.278 174.700 -0.028 0.000 1.010 393 T CA -0.550 61.532 62.100 -0.030 0.000 1.025 393 T CB 1.422 70.269 68.868 -0.036 0.000 1.079 393 T HN 0.727 nan 8.240 nan 0.000 0.516 394 c N 0.697 119.285 118.600 -0.019 0.000 2.992 394 c HA 0.408 4.979 4.570 0.002 0.000 0.277 394 c C 1.624 175.709 174.090 -0.009 0.000 1.564 394 c CA -0.041 56.278 56.329 -0.016 0.000 1.722 394 c CB -0.772 41.733 42.510 -0.009 0.000 1.895 394 c HN 0.945 nan 8.230 nan 0.000 0.701 395 N N 0.317 119.015 118.700 -0.003 0.000 2.238 395 N HA 0.334 5.075 4.740 0.002 0.000 0.235 395 N C -0.210 175.299 175.510 -0.001 0.000 1.209 395 N CA 0.683 53.736 53.050 0.004 0.000 0.879 395 N CB 1.171 39.665 38.487 0.011 0.000 1.136 395 N HN 0.731 nan 8.380 nan 0.000 0.517 396 G N 0.069 108.863 108.800 -0.010 0.000 2.411 396 G HA2 0.176 4.137 3.960 0.002 0.000 0.295 396 G HA3 0.176 4.137 3.960 0.002 0.000 0.295 396 G C 0.553 175.440 174.900 -0.020 0.000 1.542 396 G CA -0.795 44.297 45.100 -0.014 0.000 0.814 396 G HN 0.077 nan 8.290 nan 0.000 0.557 397 I N -0.853 119.703 120.570 -0.024 0.000 3.164 397 I HA 0.162 4.333 4.170 0.002 0.000 0.278 397 I C 1.450 177.555 176.117 -0.020 0.000 1.320 397 I CA 1.249 62.533 61.300 -0.027 0.000 1.422 397 I CB -0.120 37.862 38.000 -0.030 0.000 1.066 397 I HN 0.462 nan 8.210 nan 0.000 0.503 398 G N 1.410 110.201 108.800 -0.015 0.000 2.921 398 G HA2 0.067 4.029 3.960 0.002 0.000 0.213 398 G HA3 0.067 4.029 3.960 0.002 0.000 0.213 398 G C 0.355 175.250 174.900 -0.009 0.000 1.143 398 G CA -0.309 44.785 45.100 -0.011 0.000 0.764 398 G HN 0.352 nan 8.290 nan 0.000 0.542 399 N N 1.555 120.250 118.700 -0.010 0.000 2.767 399 N HA 0.251 4.992 4.740 0.002 0.000 0.238 399 N C -0.326 175.178 175.510 -0.009 0.000 1.083 399 N CA -0.373 52.673 53.050 -0.008 0.000 0.964 399 N CB 1.560 40.043 38.487 -0.006 0.000 1.252 399 N HN 0.029 nan 8.380 nan 0.000 0.512 400 R N 1.547 122.043 120.500 -0.008 0.000 2.537 400 R HA 0.250 4.591 4.340 0.002 0.000 0.280 400 R C -0.200 176.098 176.300 -0.005 0.000 1.058 400 R CA 0.047 56.143 56.100 -0.007 0.000 1.057 400 R CB 0.240 30.537 30.300 -0.005 0.000 0.973 400 R HN 0.415 nan 8.270 nan 0.000 0.438 401 I N 3.365 123.932 120.570 -0.005 0.000 2.315 401 I HA 0.240 4.411 4.170 0.002 0.000 0.291 401 I C 0.978 177.097 176.117 0.004 0.000 1.006 401 I CA -0.206 61.093 61.300 -0.002 0.000 1.265 401 I CB 1.136 39.132 38.000 -0.006 0.000 1.387 401 I HN 0.818 nan 8.210 nan 0.000 0.475 402 N N 5.625 124.329 118.700 0.007 0.000 2.434 402 N HA 0.607 5.348 4.740 0.002 0.000 0.266 402 N C -0.406 175.115 175.510 0.018 0.000 1.223 402 N CA -0.613 52.444 53.050 0.012 0.000 0.972 402 N CB 1.021 39.514 38.487 0.011 0.000 1.207 402 N HN 0.717 nan 8.380 nan 0.000 0.525 403 Q N -0.150 119.665 119.800 0.024 0.000 2.296 403 Q HA 0.443 4.784 4.340 0.002 0.000 0.254 403 Q C -2.973 173.048 176.000 0.034 0.000 0.936 403 Q CA -1.414 54.409 55.803 0.033 0.000 0.834 403 Q CB 1.875 30.639 28.738 0.044 0.000 1.340 403 Q HN 0.568 nan 8.270 nan 0.000 0.428 404 P HA 0.138 nan 4.420 nan 0.000 0.269 404 P C -2.100 175.217 177.300 0.028 0.000 1.215 404 P CA -0.936 62.179 63.100 0.026 0.000 0.780 404 P CB 0.629 32.342 31.700 0.021 0.000 0.898 405 P HA -0.193 nan 4.420 nan 0.000 0.217 405 P C 1.179 178.482 177.300 0.006 0.000 1.148 405 P CA 1.303 64.414 63.100 0.018 0.000 0.828 405 P CB -0.016 31.689 31.700 0.009 0.000 0.783 406 D N -0.493 119.902 120.400 -0.009 0.000 2.268 406 D HA -0.187 4.454 4.640 0.002 0.000 0.189 406 D C 0.899 177.148 176.300 -0.084 0.000 1.010 406 D CA 1.509 55.479 54.000 -0.050 0.000 0.862 406 D CB -0.278 40.508 40.800 -0.023 0.000 0.943 406 D HN 0.347 nan 8.370 nan 0.000 0.451 407 Q N -1.983 117.835 119.800 0.031 0.000 2.207 407 Q HA 0.571 4.913 4.340 0.002 0.000 0.237 407 Q C 1.149 177.255 176.000 0.178 0.000 0.998 407 Q CA -0.229 55.672 55.803 0.164 0.000 0.951 407 Q CB 1.325 30.208 28.738 0.241 0.000 1.213 407 Q HN 0.116 nan 8.270 nan 0.000 0.499 408 G N -0.941 108.016 108.800 0.262 0.000 2.850 408 G HA2 0.350 4.311 3.960 0.002 0.000 0.211 408 G HA3 0.350 4.311 3.960 0.002 0.000 0.211 408 G C -0.299 174.734 174.900 0.223 0.000 1.124 408 G CA 0.549 45.818 45.100 0.281 0.000 0.769 408 G HN 0.384 nan 8.290 nan 0.000 0.535 409 V N -4.831 115.183 119.914 0.166 0.000 3.147 409 V HA 0.944 5.065 4.120 0.002 0.000 0.306 409 V C -0.904 175.239 176.094 0.080 0.000 1.209 409 V CA -0.827 61.541 62.300 0.114 0.000 1.023 409 V CB 1.095 32.974 31.823 0.093 0.000 1.059 409 V HN 0.320 nan 8.190 nan 0.000 0.435 410 K N 1.522 121.956 120.400 0.056 0.000 2.270 410 K HA 0.878 5.200 4.320 0.002 0.000 0.255 410 K C -0.758 175.853 176.600 0.019 0.000 0.936 410 K CA -0.615 55.695 56.287 0.038 0.000 0.809 410 K CB 1.720 34.239 32.500 0.030 0.000 1.131 410 K HN 0.903 nan 8.250 nan 0.000 0.427 411 I N 3.919 124.497 120.570 0.013 0.000 2.268 411 I HA 0.254 4.426 4.170 0.002 0.000 0.290 411 I C -0.179 175.934 176.117 -0.006 0.000 1.125 411 I CA -0.502 60.800 61.300 0.002 0.000 1.236 411 I CB 0.111 38.114 38.000 0.005 0.000 1.469 411 I HN 0.555 nan 8.210 nan 0.000 0.512 412 I N 5.063 125.619 120.570 -0.022 0.000 2.517 412 I HA 0.074 4.246 4.170 0.002 0.000 0.285 412 I C 0.528 176.608 176.117 -0.061 0.000 1.106 412 I CA 0.433 61.707 61.300 -0.044 0.000 1.402 412 I CB 0.275 38.236 38.000 -0.065 0.000 1.399 412 I HN 0.423 nan 8.210 nan 0.000 0.535 413 T N 5.152 119.679 114.554 -0.046 0.000 2.829 413 T HA 0.208 4.559 4.350 0.002 0.000 0.282 413 T C 1.133 175.810 174.700 -0.039 0.000 0.990 413 T CA -0.359 61.730 62.100 -0.019 0.000 1.028 413 T CB 1.052 69.933 68.868 0.023 0.000 0.951 413 T HN 0.472 nan 8.240 nan 0.000 0.460 414 H N 1.719 120.819 119.070 0.050 0.000 2.518 414 H HA -0.034 4.523 4.556 0.002 0.000 0.289 414 H C 2.078 177.430 175.328 0.040 0.000 1.051 414 H CA 1.126 57.205 56.048 0.052 0.000 1.280 414 H CB 0.423 30.220 29.762 0.059 0.000 1.380 414 H HN 0.556 nan 8.280 nan 0.000 0.566 415 K N 0.900 121.379 120.400 0.132 0.000 2.031 415 K HA -0.144 4.177 4.320 0.002 0.000 0.205 415 K C 2.469 179.104 176.600 0.059 0.000 1.049 415 K CA 1.382 57.720 56.287 0.086 0.000 0.939 415 K CB 0.240 32.778 32.500 0.065 0.000 0.717 415 K HN 0.347 nan 8.250 nan 0.000 0.438 416 E N 0.484 120.707 120.200 0.039 0.000 2.006 416 E HA -0.094 4.258 4.350 0.002 0.000 0.192 416 E C 0.670 177.280 176.600 0.017 0.000 0.993 416 E CA 1.419 57.831 56.400 0.020 0.000 0.808 416 E CB -0.669 29.034 29.700 0.005 0.000 0.764 416 E HN 0.439 nan 8.360 nan 0.000 0.449 417 c N 0.564 119.163 118.600 -0.002 0.000 2.301 417 c HA 0.478 5.050 4.570 0.002 0.000 0.323 417 c C 1.501 175.613 174.090 0.036 0.000 1.265 417 c CA -0.499 55.829 56.329 -0.001 0.000 1.503 417 c CB 0.225 42.714 42.510 -0.035 0.000 2.195 417 c HN 0.744 nan 8.230 nan 0.000 0.477 418 N N 2.076 120.831 118.700 0.092 0.000 2.120 418 N HA -0.112 4.629 4.740 0.002 0.000 0.188 418 N C 0.560 176.220 175.510 0.249 0.000 1.024 418 N CA 1.450 54.609 53.050 0.181 0.000 0.852 418 N CB 0.202 38.755 38.487 0.111 0.000 1.003 418 N HN 0.683 nan 8.380 nan 0.000 0.424 419 T N 1.989 116.621 114.554 0.131 0.000 3.253 419 T HA 0.298 4.650 4.350 0.002 0.000 0.391 419 T C -0.138 174.595 174.700 0.055 0.000 1.527 419 T CA -0.585 61.591 62.100 0.127 0.000 1.268 419 T CB -0.131 68.780 68.868 0.072 0.000 1.126 419 T HN 0.284 nan 8.240 nan 0.000 0.620 420 I N 0.179 120.764 120.570 0.025 0.000 2.471 420 I HA 0.737 4.908 4.170 0.002 0.000 0.286 420 I C 0.346 176.470 176.117 0.011 0.000 1.079 420 I CA -0.394 60.892 61.300 -0.024 0.000 1.398 420 I CB 0.587 38.518 38.000 -0.115 0.000 1.403 420 I HN 0.461 nan 8.210 nan 0.000 0.530 421 G N 7.249 116.021 108.800 -0.047 0.000 2.415 421 G HA2 0.673 4.634 3.960 0.002 0.000 0.327 421 G HA3 0.673 4.634 3.960 0.002 0.000 0.327 421 G C -0.810 174.018 174.900 -0.119 0.000 1.182 421 G CA -0.788 44.242 45.100 -0.118 0.000 0.924 421 G HN 0.711 nan 8.290 nan 0.000 0.470 422 I N 1.443 121.897 120.570 -0.193 0.000 2.420 422 I HA 0.191 4.363 4.170 0.002 0.000 0.282 422 I C 0.181 176.205 176.117 -0.155 0.000 1.019 422 I CA -0.558 60.632 61.300 -0.185 0.000 1.130 422 I CB 1.303 39.106 38.000 -0.330 0.000 1.262 422 I HN 0.796 nan 8.210 nan 0.000 0.454 423 N N 4.689 123.338 118.700 -0.085 0.000 2.725 423 N HA -0.245 4.496 4.740 0.002 0.000 0.249 423 N C 0.952 176.422 175.510 -0.065 0.000 1.103 423 N CA 0.577 53.598 53.050 -0.047 0.000 0.707 423 N CB -0.526 37.960 38.487 -0.003 0.000 1.043 423 N HN 1.132 nan 8.380 nan 0.000 0.553 424 G N -0.797 107.944 108.800 -0.099 0.000 2.313 424 G HA2 -0.321 3.640 3.960 0.002 0.000 0.215 424 G HA3 -0.321 3.640 3.960 0.002 0.000 0.215 424 G C 0.168 174.966 174.900 -0.171 0.000 1.023 424 G CA 0.147 45.184 45.100 -0.104 0.000 0.626 424 G HN 0.258 nan 8.290 nan 0.000 0.503 425 M N 2.337 121.792 119.600 -0.241 0.000 2.307 425 M HA 0.398 4.879 4.480 0.002 0.000 0.346 425 M C 0.330 176.212 176.300 -0.697 0.000 1.552 425 M CA 0.547 55.583 55.300 -0.439 0.000 1.116 425 M CB 0.445 32.770 32.600 -0.458 0.000 1.889 425 M HN 0.134 nan 8.290 nan 0.000 0.460 426 L N 4.665 125.551 121.223 -0.562 0.000 2.276 426 L HA 0.453 4.794 4.340 0.002 0.000 0.286 426 L C -0.904 175.675 176.870 -0.485 0.000 1.061 426 L CA -0.088 54.497 54.840 -0.426 0.000 0.807 426 L CB 0.333 42.286 42.059 -0.176 0.000 1.177 426 L HN 0.616 nan 8.230 nan 0.000 0.429 427 F N 2.854 122.857 119.950 0.088 0.000 2.382 427 F HA 0.372 4.901 4.527 0.002 0.000 0.361 427 F C 0.519 176.470 175.800 0.251 0.000 1.109 427 F CA -0.917 57.183 58.000 0.167 0.000 1.031 427 F CB 1.097 40.239 39.000 0.235 0.000 1.234 427 F HN 0.553 nan 8.300 nan 0.000 0.445 428 N N 1.121 120.027 118.700 0.344 0.000 2.604 428 N HA 0.428 5.169 4.740 0.002 0.000 0.297 428 N C -0.496 175.037 175.510 0.037 0.000 1.266 428 N CA -0.619 52.573 53.050 0.235 0.000 0.961 428 N CB 0.846 39.400 38.487 0.112 0.000 1.166 428 N HN 0.255 nan 8.380 nan 0.000 0.601 429 T N 0.790 115.294 114.554 -0.084 0.000 2.907 429 T HA 0.212 4.563 4.350 0.002 0.000 0.284 429 T C 0.253 174.896 174.700 -0.094 0.000 1.004 429 T CA -0.698 61.264 62.100 -0.229 0.000 1.063 429 T CB 0.305 69.069 68.868 -0.174 0.000 0.992 429 T HN 0.260 nan 8.240 nan 0.000 0.483 430 N N 2.391 121.034 118.700 -0.094 0.000 2.217 430 N HA 0.058 4.799 4.740 0.002 0.000 0.268 430 N C 0.128 175.620 175.510 -0.030 0.000 1.290 430 N CA 0.564 53.584 53.050 -0.049 0.000 0.831 430 N CB 0.226 38.685 38.487 -0.045 0.000 1.057 430 N HN 0.681 nan 8.380 nan 0.000 0.481 431 K N 2.385 122.775 120.400 -0.016 0.000 2.263 431 K HA 0.269 4.591 4.320 0.002 0.000 0.272 431 K C 0.015 176.609 176.600 -0.010 0.000 1.033 431 K CA -0.776 55.506 56.287 -0.008 0.000 0.884 431 K CB 0.514 33.014 32.500 -0.000 0.000 1.107 431 K HN 0.482 nan 8.250 nan 0.000 0.460 432 E N 0.745 120.939 120.200 -0.010 0.000 2.384 432 E HA 0.397 4.748 4.350 0.002 0.000 0.266 432 E C 0.882 177.476 176.600 -0.010 0.000 1.012 432 E CA 0.623 57.016 56.400 -0.012 0.000 0.901 432 E CB 1.265 30.958 29.700 -0.011 0.000 0.967 432 E HN 0.753 nan 8.360 nan 0.000 0.435 433 G N 0.679 109.470 108.800 -0.015 0.000 2.705 433 G HA2 0.450 4.411 3.960 0.002 0.000 0.299 433 G HA3 0.450 4.411 3.960 0.002 0.000 0.299 433 G C -0.577 174.314 174.900 -0.014 0.000 1.315 433 G CA -0.647 44.446 45.100 -0.012 0.000 1.045 433 G HN 0.536 nan 8.290 nan 0.000 0.517 434 T N -2.292 112.258 114.554 -0.007 0.000 2.814 434 T HA 0.503 4.855 4.350 0.002 0.000 0.297 434 T C 0.757 175.439 174.700 -0.030 0.000 0.956 434 T CA -0.115 61.984 62.100 -0.001 0.000 1.123 434 T CB 0.056 68.937 68.868 0.022 0.000 0.902 434 T HN 1.492 nan 8.240 nan 0.000 0.528 435 L N 2.285 123.474 121.223 -0.057 0.000 2.573 435 L HA 0.577 4.918 4.340 0.002 0.000 0.290 435 L C 0.926 177.635 176.870 -0.269 0.000 1.247 435 L CA -0.081 54.644 54.840 -0.191 0.000 0.876 435 L CB -1.811 40.108 42.059 -0.233 0.000 1.123 435 L HN 1.433 nan 8.230 nan 0.000 0.505 436 A N 2.367 124.942 122.820 -0.407 0.000 2.354 436 A HA 1.005 5.326 4.320 0.002 0.000 0.321 436 A C -0.831 176.405 177.584 -0.580 0.000 1.125 436 A CA -0.531 51.332 52.037 -0.289 0.000 0.799 436 A CB 1.175 20.114 19.000 -0.102 0.000 1.293 436 A HN 1.135 nan 8.150 nan 0.000 0.452 437 F N -0.206 119.776 119.950 0.053 0.000 2.561 437 F HA 0.399 4.927 4.527 0.002 0.000 0.313 437 F C -0.862 175.001 175.800 0.106 0.000 1.126 437 F CA -0.357 57.681 58.000 0.063 0.000 0.918 437 F CB 1.884 40.900 39.000 0.026 0.000 1.199 437 F HN 0.568 nan 8.300 nan 0.000 0.444 438 Y N 2.746 123.141 120.300 0.160 0.000 2.504 438 Y HA 0.627 5.178 4.550 0.002 0.000 0.339 438 Y C -0.699 175.264 175.900 0.105 0.000 0.974 438 Y CA -0.574 57.584 58.100 0.098 0.000 1.232 438 Y CB 0.665 39.157 38.460 0.052 0.000 1.108 438 Y HN 0.583 nan 8.280 nan 0.000 0.509 439 T N 8.052 122.425 114.554 -0.302 0.000 2.886 439 T HA 0.445 4.796 4.350 0.002 0.000 0.292 439 T C -2.508 171.994 174.700 -0.330 0.000 1.012 439 T CA -1.104 60.832 62.100 -0.274 0.000 0.982 439 T CB 1.583 70.392 68.868 -0.099 0.000 1.018 439 T HN 0.505 nan 8.240 nan 0.000 0.451 440 P HA 0.384 nan 4.420 nan 0.000 0.278 440 P C -0.733 176.499 177.300 -0.114 0.000 1.258 440 P CA -0.776 62.209 63.100 -0.192 0.000 0.811 440 P CB 0.782 32.394 31.700 -0.147 0.000 1.063 441 N N 1.363 120.014 118.700 -0.081 0.000 2.518 441 N HA 0.047 4.788 4.740 0.002 0.000 0.266 441 N C -0.234 175.247 175.510 -0.048 0.000 1.196 441 N CA 0.088 53.103 53.050 -0.058 0.000 0.947 441 N CB 0.396 38.859 38.487 -0.041 0.000 1.098 441 N HN 0.379 nan 8.380 nan 0.000 0.450 442 D N 0.966 121.340 120.400 -0.044 0.000 2.401 442 D HA 0.136 4.777 4.640 0.002 0.000 0.254 442 D C 0.501 176.785 176.300 -0.027 0.000 1.192 442 D CA 0.187 54.166 54.000 -0.036 0.000 0.885 442 D CB 0.498 41.277 40.800 -0.036 0.000 1.147 442 D HN 0.342 nan 8.370 nan 0.000 0.478 443 I N 1.002 121.558 120.570 -0.023 0.000 2.359 443 I HA 0.402 4.573 4.170 0.002 0.000 0.294 443 I C 0.667 176.776 176.117 -0.015 0.000 0.987 443 I CA -0.540 60.749 61.300 -0.017 0.000 1.225 443 I CB 1.574 39.565 38.000 -0.014 0.000 1.366 443 I HN 0.225 nan 8.210 nan 0.000 0.466 444 T N 6.084 120.631 114.554 -0.013 0.000 2.809 444 T HA 0.680 5.031 4.350 0.002 0.000 0.284 444 T C 0.060 174.755 174.700 -0.009 0.000 0.992 444 T CA -0.024 62.069 62.100 -0.011 0.000 0.957 444 T CB 0.928 69.790 68.868 -0.011 0.000 0.942 444 T HN 1.500 nan 8.240 nan 0.000 0.439 445 L N 4.044 125.262 121.223 -0.008 0.000 2.334 445 L HA 0.510 4.851 4.340 0.002 0.000 0.286 445 L C 0.636 177.503 176.870 -0.006 0.000 1.108 445 L CA -0.815 54.021 54.840 -0.007 0.000 0.875 445 L CB -0.829 41.226 42.059 -0.006 0.000 1.246 445 L HN 0.688 nan 8.230 nan 0.000 0.439 446 N N 3.584 122.280 118.700 -0.006 0.000 2.406 446 N HA 0.133 4.874 4.740 0.002 0.000 0.274 446 N C 0.937 176.444 175.510 -0.004 0.000 1.249 446 N CA 0.876 53.922 53.050 -0.005 0.000 0.951 446 N CB 0.200 38.684 38.487 -0.005 0.000 1.241 446 N HN 0.997 nan 8.380 nan 0.000 0.485 447 N N 1.085 119.782 118.700 -0.004 0.000 2.120 447 N HA -0.097 4.644 4.740 0.002 0.000 0.216 447 N C 1.011 176.519 175.510 -0.003 0.000 1.303 447 N CA 0.709 53.757 53.050 -0.004 0.000 0.874 447 N CB -0.144 38.341 38.487 -0.004 0.000 1.066 447 N HN 0.578 nan 8.380 nan 0.000 0.442 448 S N -1.638 114.060 115.700 -0.003 0.000 2.816 448 S HA 0.244 4.715 4.470 0.002 0.000 0.250 448 S C 0.416 175.015 174.600 -0.002 0.000 1.422 448 S CA 0.231 58.429 58.200 -0.003 0.000 0.976 448 S CB -0.057 63.141 63.200 -0.003 0.000 0.939 448 S HN 1.040 nan 8.310 nan 0.000 0.567 449 V N 1.291 121.204 119.914 -0.001 0.000 2.334 449 V HA 0.629 4.750 4.120 0.002 0.000 0.281 449 V C 0.579 176.673 176.094 0.001 0.000 1.016 449 V CA -0.488 61.812 62.300 -0.000 0.000 0.832 449 V CB 0.219 32.043 31.823 0.001 0.000 0.999 449 V HN 1.058 nan 8.190 nan 0.000 0.439 450 A N 6.449 129.269 122.820 0.000 0.000 2.371 450 A HA 0.778 5.099 4.320 0.002 0.000 0.257 450 A C -0.467 177.119 177.584 0.002 0.000 1.089 450 A CA -0.211 51.827 52.037 0.001 0.000 0.794 450 A CB 0.338 19.339 19.000 0.000 0.000 1.029 450 A HN 0.803 nan 8.150 nan 0.000 0.488 451 L N 1.159 122.383 121.223 0.003 0.000 2.362 451 L HA 0.482 4.823 4.340 0.002 0.000 0.275 451 L C 0.499 177.372 176.870 0.004 0.000 0.998 451 L CA -0.605 54.238 54.840 0.004 0.000 0.820 451 L CB 1.669 43.732 42.059 0.007 0.000 1.270 451 L HN 0.894 nan 8.230 nan 0.000 0.415 452 D N 4.155 124.557 120.400 0.004 0.000 2.425 452 D HA 0.317 4.958 4.640 0.002 0.000 0.247 452 D C -1.993 174.310 176.300 0.004 0.000 1.147 452 D CA -1.005 52.997 54.000 0.003 0.000 0.879 452 D CB 0.036 40.838 40.800 0.003 0.000 1.179 452 D HN 0.383 nan 8.370 nan 0.000 0.456 453 P HA 0.206 nan 4.420 nan 0.000 0.267 453 P C 0.176 177.479 177.300 0.005 0.000 1.209 453 P CA -0.393 62.710 63.100 0.005 0.000 0.763 453 P CB 0.773 32.475 31.700 0.004 0.000 0.816 454 I N 2.231 122.805 120.570 0.006 0.000 2.872 454 I HA -0.032 4.139 4.170 0.002 0.000 0.291 454 I C 0.233 176.352 176.117 0.005 0.000 1.216 454 I CA 0.842 62.145 61.300 0.006 0.000 1.424 454 I CB 0.315 38.319 38.000 0.007 0.000 1.351 454 I HN 0.407 nan 8.210 nan 0.000 0.592 455 D N 7.208 127.610 120.400 0.003 0.000 2.863 455 D HA 0.325 4.966 4.640 0.002 0.000 0.245 455 D C -0.063 176.239 176.300 0.003 0.000 1.211 455 D CA -0.324 53.678 54.000 0.003 0.000 0.888 455 D CB 1.518 42.319 40.800 0.002 0.000 1.483 455 D HN 0.521 nan 8.370 nan 0.000 0.533 456 I N 2.054 122.626 120.570 0.003 0.000 4.439 456 I HA -0.084 4.087 4.170 0.002 0.000 0.331 456 I C 2.251 178.370 176.117 0.003 0.000 1.345 456 I CA -0.021 61.280 61.300 0.003 0.000 1.193 456 I CB 0.387 38.389 38.000 0.003 0.000 1.221 456 I HN 0.305 nan 8.210 nan 0.000 0.429 457 S N 2.815 118.516 115.700 0.003 0.000 2.393 457 S HA -0.283 4.188 4.470 0.002 0.000 0.234 457 S C 2.010 176.612 174.600 0.003 0.000 1.064 457 S CA 1.893 60.095 58.200 0.003 0.000 1.088 457 S CB -1.144 62.057 63.200 0.003 0.000 0.939 457 S HN 0.601 nan 8.310 nan 0.000 0.448 458 I N 0.984 121.556 120.570 0.003 0.000 2.194 458 I HA -0.215 3.957 4.170 0.002 0.000 0.246 458 I C 2.494 178.614 176.117 0.004 0.000 1.093 458 I CA 2.074 63.376 61.300 0.003 0.000 1.355 458 I CB -0.827 37.175 38.000 0.003 0.000 1.046 458 I HN 0.191 nan 8.210 nan 0.000 0.413 459 E N 1.757 121.960 120.200 0.004 0.000 2.028 459 E HA -0.042 4.309 4.350 0.002 0.000 0.190 459 E C 2.332 178.935 176.600 0.006 0.000 0.984 459 E CA 1.108 57.511 56.400 0.004 0.000 0.800 459 E CB -0.417 29.285 29.700 0.003 0.000 0.758 459 E HN 0.433 nan 8.360 nan 0.000 0.448 460 L N 1.119 122.345 121.223 0.005 0.000 2.079 460 L HA -0.214 4.127 4.340 0.002 0.000 0.210 460 L C 1.887 178.760 176.870 0.006 0.000 1.081 460 L CA 0.933 55.776 54.840 0.006 0.000 0.752 460 L CB -0.547 41.515 42.059 0.005 0.000 0.896 460 L HN 0.189 nan 8.230 nan 0.000 0.433 461 N N 0.254 118.958 118.700 0.005 0.000 2.309 461 N HA -0.140 4.601 4.740 0.002 0.000 0.182 461 N C 1.762 177.276 175.510 0.007 0.000 1.018 461 N CA 1.120 54.173 53.050 0.005 0.000 0.876 461 N CB -0.006 38.484 38.487 0.004 0.000 0.972 461 N HN 0.409 nan 8.380 nan 0.000 0.434 462 K N 0.605 121.010 120.400 0.009 0.000 2.076 462 K HA 0.131 4.452 4.320 0.002 0.000 0.204 462 K C 2.112 178.721 176.600 0.015 0.000 1.051 462 K CA 0.847 57.141 56.287 0.012 0.000 0.949 462 K CB -0.080 32.427 32.500 0.012 0.000 0.726 462 K HN 0.042 nan 8.250 nan 0.000 0.443 463 A N 2.112 124.940 122.820 0.013 0.000 1.892 463 A HA -0.290 4.031 4.320 0.002 0.000 0.218 463 A C 2.339 179.933 177.584 0.016 0.000 1.188 463 A CA 2.840 54.886 52.037 0.015 0.000 0.631 463 A CB -1.008 17.999 19.000 0.011 0.000 0.822 463 A HN 0.357 nan 8.150 nan 0.000 0.447 464 K N -0.702 119.705 120.400 0.012 0.000 2.283 464 K HA -0.010 4.311 4.320 0.002 0.000 0.202 464 K C 2.279 178.886 176.600 0.012 0.000 1.048 464 K CA 1.998 58.291 56.287 0.011 0.000 0.948 464 K CB -1.005 31.499 32.500 0.007 0.000 0.742 464 K HN 0.594 nan 8.250 nan 0.000 0.458 465 S N 0.518 116.226 115.700 0.013 0.000 2.425 465 S HA -0.098 4.373 4.470 0.002 0.000 0.225 465 S C 1.470 176.085 174.600 0.024 0.000 1.024 465 S CA 0.957 59.166 58.200 0.014 0.000 0.951 465 S CB -0.112 63.096 63.200 0.012 0.000 0.796 465 S HN 0.606 nan 8.310 nan 0.000 0.498 466 D N 1.354 121.773 120.400 0.033 0.000 2.120 466 D HA -0.030 4.611 4.640 0.002 0.000 0.202 466 D C 1.967 178.301 176.300 0.057 0.000 0.972 466 D CA 0.656 54.688 54.000 0.052 0.000 0.837 466 D CB -0.593 40.236 40.800 0.048 0.000 0.989 466 D HN 0.308 nan 8.370 nan 0.000 0.469 467 L N 1.868 123.115 121.223 0.040 0.000 1.991 467 L HA -0.262 4.079 4.340 0.002 0.000 0.221 467 L C 2.122 179.015 176.870 0.038 0.000 1.079 467 L CA 1.919 56.782 54.840 0.037 0.000 0.778 467 L CB -0.498 41.576 42.059 0.024 0.000 0.893 467 L HN -0.093 nan 8.230 nan 0.000 0.437 468 E N -0.186 120.027 120.200 0.021 0.000 2.033 468 E HA -0.295 4.057 4.350 0.002 0.000 0.199 468 E C 2.119 178.718 176.600 -0.001 0.000 1.011 468 E CA 1.845 58.247 56.400 0.004 0.000 0.815 468 E CB -0.473 29.221 29.700 -0.011 0.000 0.755 468 E HN 0.642 nan 8.360 nan 0.000 0.451 469 E N 0.564 120.771 120.200 0.011 0.000 2.086 469 E HA -0.235 4.117 4.350 0.002 0.000 0.205 469 E C 2.122 178.782 176.600 0.101 0.000 1.027 469 E CA 1.613 58.015 56.400 0.004 0.000 0.830 469 E CB -0.230 29.538 29.700 0.113 0.000 0.751 469 E HN 0.121 nan 8.360 nan 0.000 0.456 470 S N 0.463 116.270 115.700 0.179 0.000 2.372 470 S HA -0.287 4.184 4.470 0.002 0.000 0.227 470 S C 1.757 176.455 174.600 0.162 0.000 1.044 470 S CA 1.929 60.262 58.200 0.221 0.000 1.050 470 S CB -0.122 63.153 63.200 0.126 0.000 0.901 470 S HN 0.162 nan 8.310 nan 0.000 0.447 471 K N 0.300 120.743 120.400 0.073 0.000 2.032 471 K HA -0.159 4.163 4.320 0.002 0.000 0.209 471 K C 2.315 178.921 176.600 0.010 0.000 1.048 471 K CA 1.650 57.959 56.287 0.037 0.000 0.927 471 K CB -0.339 32.166 32.500 0.008 0.000 0.712 471 K HN 0.380 nan 8.250 nan 0.000 0.441 472 E N 0.464 120.623 120.200 -0.068 0.000 2.058 472 E HA -0.202 4.149 4.350 0.002 0.000 0.194 472 E C 1.664 178.171 176.600 -0.155 0.000 0.997 472 E CA 1.704 57.997 56.400 -0.178 0.000 0.801 472 E CB -0.349 29.143 29.700 -0.347 0.000 0.746 472 E HN 0.351 nan 8.360 nan 0.000 0.450 473 W N 0.179 121.478 121.300 -0.001 0.000 2.338 473 W HA -0.155 4.505 4.660 0.000 0.000 0.304 473 W C 2.085 178.604 176.519 -0.001 0.000 1.212 473 W CA 0.333 57.678 57.345 -0.001 0.000 1.264 473 W CB -0.190 29.270 29.460 -0.001 0.000 1.142 473 W HN 0.134 nan 8.180 nan 0.000 0.512 474 I N 0.481 121.180 120.570 0.215 0.000 2.315 474 I HA -0.239 3.932 4.170 0.002 0.000 0.248 474 I C 2.457 178.621 176.117 0.079 0.000 1.117 474 I CA 1.509 62.884 61.300 0.125 0.000 1.404 474 I CB -1.466 36.586 38.000 0.087 0.000 1.071 474 I HN 0.146 nan 8.210 nan 0.000 0.419 475 R N 1.408 121.936 120.500 0.047 0.000 2.083 475 R HA -0.178 4.163 4.340 0.002 0.000 0.237 475 R C 2.419 178.735 176.300 0.026 0.000 1.137 475 R CA 1.591 57.700 56.100 0.015 0.000 0.951 475 R CB -0.167 30.119 30.300 -0.023 0.000 0.851 475 R HN 0.235 nan 8.270 nan 0.000 0.434 476 R N -0.039 120.485 120.500 0.039 0.000 2.081 476 R HA -0.090 4.251 4.340 0.002 0.000 0.235 476 R C 2.598 178.950 176.300 0.087 0.000 1.131 476 R CA 1.608 57.745 56.100 0.062 0.000 0.960 476 R CB -0.390 29.967 30.300 0.095 0.000 0.856 476 R HN 0.238 nan 8.270 nan 0.000 0.436 477 S N 0.713 116.481 115.700 0.113 0.000 2.400 477 S HA -0.132 4.339 4.470 0.002 0.000 0.232 477 S C 1.559 176.192 174.600 0.055 0.000 1.025 477 S CA 1.382 59.634 58.200 0.087 0.000 0.993 477 S CB -0.152 63.100 63.200 0.087 0.000 0.808 477 S HN 0.314 nan 8.310 nan 0.000 0.478 478 N N 1.530 120.258 118.700 0.046 0.000 2.207 478 N HA -0.074 4.667 4.740 0.002 0.000 0.182 478 N C 1.937 177.461 175.510 0.024 0.000 1.020 478 N CA 1.486 54.554 53.050 0.030 0.000 0.858 478 N CB -0.607 37.895 38.487 0.025 0.000 0.991 478 N HN 0.814 nan 8.380 nan 0.000 0.427 479 Q N 0.462 120.276 119.800 0.023 0.000 2.297 479 Q HA 0.026 4.368 4.340 0.002 0.000 0.204 479 Q C 1.841 177.854 176.000 0.021 0.000 0.962 479 Q CA 1.650 57.464 55.803 0.017 0.000 0.879 479 Q CB -0.266 28.479 28.738 0.012 0.000 0.947 479 Q HN 0.244 nan 8.270 nan 0.000 0.462 480 K N 1.000 121.418 120.400 0.030 0.000 2.243 480 K HA 0.104 4.425 4.320 0.002 0.000 0.201 480 K C 1.709 178.324 176.600 0.025 0.000 1.051 480 K CA 0.774 57.080 56.287 0.031 0.000 0.970 480 K CB -0.373 32.153 32.500 0.044 0.000 0.755 480 K HN 0.223 nan 8.250 nan 0.000 0.465 481 L N 1.911 123.149 121.223 0.025 0.000 2.622 481 L HA 0.095 4.436 4.340 0.002 0.000 0.233 481 L C 0.371 177.250 176.870 0.015 0.000 1.156 481 L CA 0.760 55.611 54.840 0.020 0.000 0.866 481 L CB 0.018 42.089 42.059 0.020 0.000 0.980 481 L HN 0.459 nan 8.230 nan 0.000 0.448 482 D N 0.200 120.609 120.400 0.015 0.000 2.411 482 D HA 0.160 4.802 4.640 0.002 0.000 0.225 482 D C -0.796 175.510 176.300 0.010 0.000 1.156 482 D CA 0.072 54.079 54.000 0.011 0.000 0.874 482 D CB 0.605 41.410 40.800 0.010 0.000 1.034 482 D HN 0.226 nan 8.370 nan 0.000 0.502 483 S N 4.861 120.566 115.700 0.009 0.000 2.381 483 S HA 0.360 4.831 4.470 0.002 0.000 0.193 483 S C -0.252 174.352 174.600 0.006 0.000 1.287 483 S CA -0.941 57.264 58.200 0.008 0.000 1.199 483 S CB 0.316 63.521 63.200 0.008 0.000 1.214 483 S HN 0.289 nan 8.310 nan 0.000 0.444 484 I N 0.000 120.573 120.570 0.005 0.000 2.984 484 I HA 0.000 4.171 4.170 0.002 0.000 0.288 484 I CA 0.000 61.303 61.300 0.004 0.000 1.566 484 I CB 0.000 38.002 38.000 0.004 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494