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 2gc8_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRVW DATA SEQUENCE RHRARSVRAR LLSQGGRAAT CGKYLFNWAV KTKLKLTPIP XXXXXDLSGW DATA SEQUENCE FVAGYSGGDI YH 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.569 174.600 -0.051 0.000 1.055 1 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 1 S CB 0.000 63.174 63.200 -0.044 0.000 0.593 2 M N 3.028 122.593 119.600 -0.058 0.000 2.228 2 M HA 0.260 4.739 4.480 -0.001 0.000 0.351 2 M C 1.898 178.084 176.300 -0.190 0.000 1.233 2 M CA 0.032 55.282 55.300 -0.084 0.000 1.129 2 M CB 0.534 33.105 32.600 -0.048 0.000 1.604 2 M HN 1.051 nan 8.290 nan 0.000 0.457 3 S N 2.692 118.212 115.700 -0.299 0.000 2.382 3 S HA -0.090 4.379 4.470 -0.001 0.000 0.228 3 S C 0.106 174.292 174.600 -0.690 0.000 1.027 3 S CA 0.955 58.855 58.200 -0.500 0.000 0.991 3 S CB -0.192 62.643 63.200 -0.608 0.000 0.823 3 S HN 0.655 nan 8.310 nan 0.000 0.469 4 Y N -0.493 119.619 120.300 -0.313 0.000 2.597 4 Y HA 0.569 5.119 4.550 -0.001 0.000 0.340 4 Y C -0.377 175.174 175.900 -0.583 0.000 1.097 4 Y CA -1.064 56.706 58.100 -0.550 0.000 1.037 4 Y CB 1.987 39.919 38.460 -0.880 0.000 1.305 4 Y HN -0.179 nan 8.280 nan 0.000 0.463 5 T N 1.473 115.720 114.554 -0.510 0.000 2.879 5 T HA 0.390 4.740 4.350 -0.001 0.000 0.290 5 T C -1.446 172.995 174.700 -0.433 0.000 0.993 5 T CA -0.777 61.128 62.100 -0.325 0.000 0.975 5 T CB 0.462 69.262 68.868 -0.112 0.000 0.981 5 T HN 0.442 nan 8.240 nan 0.000 0.439 6 W N 1.350 122.705 121.300 0.090 0.000 2.627 6 W HA 0.427 5.086 4.660 -0.001 0.000 0.339 6 W C 1.563 178.110 176.519 0.048 0.000 1.058 6 W CA -0.922 56.461 57.345 0.064 0.000 1.223 6 W CB 1.064 30.546 29.460 0.035 0.000 1.389 6 W HN 0.752 nan 8.180 nan 0.000 0.541 7 T N -2.366 112.369 114.554 0.301 0.000 3.044 7 T HA 0.321 4.670 4.350 -0.001 0.000 0.255 7 T C 1.417 176.202 174.700 0.143 0.000 1.073 7 T CA 0.989 63.192 62.100 0.172 0.000 1.125 7 T CB 0.005 68.953 68.868 0.132 0.000 0.908 7 T HN 1.114 nan 8.240 nan 0.000 0.480 8 G N 1.195 110.087 108.800 0.153 0.000 2.380 8 G HA2 0.101 4.061 3.960 -0.001 0.000 0.197 8 G HA3 0.101 4.061 3.960 -0.001 0.000 0.197 8 G C 0.350 175.276 174.900 0.044 0.000 1.001 8 G CA -0.153 44.993 45.100 0.077 0.000 0.668 8 G HN 1.049 nan 8.290 nan 0.000 0.483 9 A N 1.388 124.247 122.820 0.065 0.000 2.477 9 A HA 0.633 4.953 4.320 -0.001 0.000 0.246 9 A C 0.867 178.460 177.584 0.016 0.000 1.078 9 A CA 0.153 52.215 52.037 0.041 0.000 0.770 9 A CB 0.093 19.127 19.000 0.056 0.000 1.011 9 A HN 0.855 nan 8.150 nan 0.000 0.494 10 L N 2.221 123.439 121.223 -0.009 0.000 2.464 10 L HA 0.188 4.527 4.340 -0.001 0.000 0.264 10 L C 0.130 176.981 176.870 -0.031 0.000 1.199 10 L CA -0.725 54.091 54.840 -0.040 0.000 0.818 10 L CB 0.244 42.282 42.059 -0.035 0.000 1.102 10 L HN 0.484 nan 8.230 nan 0.000 0.473 11 I N 1.550 122.083 120.570 -0.060 0.000 2.347 11 I HA 0.089 4.258 4.170 -0.001 0.000 0.294 11 I C 0.630 176.738 176.117 -0.016 0.000 1.090 11 I CA 0.122 61.400 61.300 -0.036 0.000 1.314 11 I CB 0.233 38.193 38.000 -0.066 0.000 1.423 11 I HN 0.620 nan 8.210 nan 0.000 0.503 12 T N 6.218 120.773 114.554 0.002 0.000 2.907 12 T HA 0.604 4.954 4.350 -0.001 0.000 0.284 12 T C -2.343 172.370 174.700 0.022 0.000 1.004 12 T CA -1.727 60.378 62.100 0.009 0.000 1.063 12 T CB 1.831 70.704 68.868 0.008 0.000 0.992 12 T HN 0.341 nan 8.240 nan 0.000 0.483 13 P HA 0.263 nan 4.420 nan 0.000 0.276 13 P C 0.629 177.949 177.300 0.034 0.000 1.252 13 P CA -0.745 62.376 63.100 0.035 0.000 0.802 13 P CB 0.811 32.532 31.700 0.035 0.000 1.035 14 C N -1.456 117.868 119.300 0.040 0.000 3.183 14 C HA 0.804 5.264 4.460 -0.001 0.000 0.285 14 C C 0.688 175.695 174.990 0.029 0.000 1.313 14 C CA -0.076 58.962 59.018 0.034 0.000 1.711 14 C CB -0.863 26.904 27.740 0.045 0.000 2.135 14 C HN 0.711 nan 8.230 nan 0.000 0.651 15 A N 0.293 123.133 122.820 0.034 0.000 2.586 15 A HA 0.795 5.115 4.320 -0.001 0.000 0.290 15 A C -0.472 177.138 177.584 0.042 0.000 1.086 15 A CA 0.083 52.140 52.037 0.034 0.000 0.665 15 A CB -0.183 18.837 19.000 0.034 0.000 1.279 15 A HN 1.409 nan 8.150 nan 0.000 0.423 16 A N 0.363 123.210 122.820 0.045 0.000 2.511 16 A HA 0.500 4.820 4.320 -0.001 0.000 0.242 16 A C 0.030 177.657 177.584 0.072 0.000 1.069 16 A CA 0.449 52.518 52.037 0.053 0.000 0.763 16 A CB -0.368 18.663 19.000 0.050 0.000 1.001 16 A HN 0.612 nan 8.150 nan 0.000 0.498 17 E N 1.928 122.176 120.200 0.080 0.000 2.171 17 E HA 0.334 4.683 4.350 -0.001 0.000 0.271 17 E C -0.899 175.785 176.600 0.140 0.000 0.916 17 E CA -0.458 56.005 56.400 0.105 0.000 0.774 17 E CB 1.697 31.450 29.700 0.088 0.000 1.128 17 E HN 0.734 nan 8.360 nan 0.000 0.403 18 E N 1.093 121.420 120.200 0.211 0.000 2.216 18 E HA 0.120 4.469 4.350 -0.001 0.000 0.279 18 E C 0.264 177.089 176.600 0.375 0.000 0.997 18 E CA -0.151 56.412 56.400 0.273 0.000 0.817 18 E CB 1.357 31.255 29.700 0.331 0.000 1.096 18 E HN 0.577 nan 8.360 nan 0.000 0.393 19 S N 2.727 118.616 115.700 0.314 0.000 2.527 19 S HA 0.113 4.582 4.470 -0.001 0.000 0.227 19 S C 0.542 175.399 174.600 0.429 0.000 1.059 19 S CA -0.162 58.246 58.200 0.347 0.000 0.919 19 S CB 0.298 63.632 63.200 0.223 0.000 0.805 19 S HN 0.214 nan 8.310 nan 0.000 0.500 20 K N 1.291 121.859 120.400 0.279 0.000 2.144 20 K HA 0.427 4.747 4.320 -0.001 0.000 0.270 20 K C -0.851 175.748 176.600 -0.002 0.000 1.005 20 K CA -0.785 55.615 56.287 0.187 0.000 0.932 20 K CB 1.103 33.656 32.500 0.088 0.000 1.021 20 K HN 0.197 nan 8.250 nan 0.000 0.462 21 L N 4.672 125.884 121.223 -0.017 0.000 2.584 21 L HA 0.072 4.411 4.340 -0.001 0.000 0.272 21 L C -2.363 174.214 176.870 -0.489 0.000 1.195 21 L CA -0.845 53.786 54.840 -0.348 0.000 0.920 21 L CB -0.086 41.943 42.059 -0.051 0.000 1.173 21 L HN 0.417 nan 8.230 nan 0.000 0.489 22 P HA 0.224 nan 4.420 nan 0.000 0.271 22 P C -1.026 176.033 177.300 -0.401 0.000 1.218 22 P CA -0.013 62.770 63.100 -0.528 0.000 0.780 22 P CB 0.607 31.932 31.700 -0.625 0.000 0.901 23 I N 2.829 123.222 120.570 -0.294 0.000 2.498 23 I HA 0.379 4.549 4.170 -0.001 0.000 0.290 23 I C 0.208 176.219 176.117 -0.177 0.000 1.032 23 I CA -0.676 60.461 61.300 -0.271 0.000 1.073 23 I CB 1.632 39.452 38.000 -0.300 0.000 1.251 23 I HN 0.481 nan 8.210 nan 0.000 0.426 24 N N 4.132 122.746 118.700 -0.143 0.000 3.167 24 N HA 0.455 5.195 4.740 -0.001 0.000 0.323 24 N C 0.365 175.838 175.510 -0.062 0.000 1.478 24 N CA -0.458 52.537 53.050 -0.093 0.000 0.753 24 N CB 0.780 39.214 38.487 -0.089 0.000 1.721 24 N HN 0.395 nan 8.380 nan 0.000 0.618 25 A N -0.558 122.237 122.820 -0.042 0.000 2.172 25 A HA 0.127 4.447 4.320 -0.001 0.000 0.216 25 A C 1.728 179.304 177.584 -0.014 0.000 1.154 25 A CA 0.794 52.817 52.037 -0.024 0.000 0.701 25 A CB -0.893 18.095 19.000 -0.021 0.000 0.789 25 A HN 0.546 nan 8.150 nan 0.000 0.465 26 L N -1.334 119.879 121.223 -0.017 0.000 2.477 26 L HA 0.011 4.350 4.340 -0.001 0.000 0.220 26 L C 2.476 179.378 176.870 0.053 0.000 1.106 26 L CA 0.516 55.363 54.840 0.012 0.000 0.851 26 L CB -0.288 41.762 42.059 -0.016 0.000 0.994 26 L HN 0.225 nan 8.230 nan 0.000 0.462 27 S N 0.848 116.555 115.700 0.012 0.000 2.359 27 S HA -0.190 4.279 4.470 -0.001 0.000 0.223 27 S C 1.705 176.360 174.600 0.091 0.000 1.039 27 S CA 1.730 59.939 58.200 0.016 0.000 1.042 27 S CB -0.353 62.784 63.200 -0.104 0.000 0.915 27 S HN 0.488 nan 8.310 nan 0.000 0.439 28 N N 1.459 120.222 118.700 0.105 0.000 2.364 28 N HA -0.066 4.674 4.740 -0.001 0.000 0.183 28 N C 1.917 177.458 175.510 0.051 0.000 1.022 28 N CA 1.247 54.366 53.050 0.115 0.000 0.883 28 N CB -0.516 38.025 38.487 0.089 0.000 0.965 28 N HN 0.609 nan 8.380 nan 0.000 0.438 29 S N 0.126 115.854 115.700 0.046 0.000 2.423 29 S HA -0.068 4.401 4.470 -0.001 0.000 0.231 29 S C 1.828 176.448 174.600 0.033 0.000 1.014 29 S CA 0.529 58.736 58.200 0.013 0.000 0.965 29 S CB -0.163 63.068 63.200 0.051 0.000 0.785 29 S HN 0.236 nan 8.310 nan 0.000 0.495 30 L N -0.158 121.107 121.223 0.071 0.000 2.349 30 L HA 0.598 4.937 4.340 -0.001 0.000 0.200 30 L C 0.183 177.105 176.870 0.086 0.000 1.064 30 L CA 0.791 55.670 54.840 0.065 0.000 0.821 30 L CB 0.137 42.010 42.059 -0.310 0.000 1.027 30 L HN 0.502 nan 8.230 nan 0.000 0.476 31 L N -0.947 120.317 121.223 0.069 0.000 2.455 31 L HA 0.414 4.753 4.340 -0.001 0.000 0.264 31 L C 0.395 177.314 176.870 0.081 0.000 0.968 31 L CA -0.436 54.441 54.840 0.062 0.000 0.827 31 L CB 1.780 43.894 42.059 0.092 0.000 1.317 31 L HN 0.031 nan 8.230 nan 0.000 0.407 32 R N 0.983 121.422 120.500 -0.102 0.000 2.195 32 R HA 0.182 4.522 4.340 -0.001 0.000 0.197 32 R C 0.127 176.198 176.300 -0.382 0.000 0.990 32 R CA 0.130 56.077 56.100 -0.255 0.000 1.048 32 R CB 0.182 30.379 30.300 -0.173 0.000 0.997 32 R HN 0.633 nan 8.270 nan 0.000 0.502 33 H N 1.438 120.396 119.070 -0.187 0.000 3.220 33 H HA 0.048 4.603 4.556 -0.001 0.000 0.225 33 H C 0.546 175.867 175.328 -0.011 0.000 1.869 33 H CA -0.716 55.260 56.048 -0.120 0.000 1.428 33 H CB 0.137 29.886 29.762 -0.022 0.000 1.792 33 H HN 0.228 nan 8.280 nan 0.000 0.595 34 H N 0.777 119.938 119.070 0.153 0.000 2.390 34 H HA -0.150 4.406 4.556 -0.001 0.000 0.298 34 H C 1.467 176.868 175.328 0.123 0.000 1.106 34 H CA 0.834 56.947 56.048 0.108 0.000 1.297 34 H CB 0.077 29.876 29.762 0.062 0.000 1.375 34 H HN 0.581 nan 8.280 nan 0.000 0.509 35 N N 0.545 119.371 118.700 0.210 0.000 2.520 35 N HA -0.071 4.668 4.740 -0.001 0.000 0.185 35 N C 1.643 177.259 175.510 0.177 0.000 1.068 35 N CA 0.543 53.689 53.050 0.160 0.000 0.911 35 N CB -0.124 38.416 38.487 0.089 0.000 0.961 35 N HN 0.452 nan 8.380 nan 0.000 0.446 36 M N 0.020 119.739 119.600 0.199 0.000 2.541 36 M HA 0.065 4.545 4.480 -0.001 0.000 0.252 36 M C 0.095 176.575 176.300 0.299 0.000 1.125 36 M CA 0.358 55.789 55.300 0.218 0.000 1.091 36 M CB 0.572 33.288 32.600 0.192 0.000 1.420 36 M HN -0.241 nan 8.290 nan 0.000 0.486 37 V N 0.911 121.007 119.914 0.303 0.000 2.472 37 V HA 0.383 4.503 4.120 -0.001 0.000 0.290 37 V C -0.713 175.640 176.094 0.432 0.000 1.037 37 V CA -0.715 61.773 62.300 0.314 0.000 0.908 37 V CB 0.800 32.790 31.823 0.278 0.000 0.985 37 V HN 0.350 nan 8.190 nan 0.000 0.454 38 Y N 2.101 122.573 120.300 0.287 0.000 2.670 38 Y HA 0.909 5.458 4.550 -0.001 0.000 0.334 38 Y C -0.596 175.420 175.900 0.193 0.000 1.185 38 Y CA -1.302 56.981 58.100 0.304 0.000 1.053 38 Y CB 1.482 40.069 38.460 0.211 0.000 1.298 38 Y HN 0.732 nan 8.280 nan 0.000 0.459 39 A N 1.213 124.156 122.820 0.204 0.000 2.365 39 A HA 0.714 5.033 4.320 -0.001 0.000 0.318 39 A C -0.291 177.401 177.584 0.180 0.000 1.091 39 A CA -0.406 51.545 52.037 -0.143 0.000 0.763 39 A CB 0.831 19.520 19.000 -0.519 0.000 1.248 39 A HN 1.116 nan 8.150 nan 0.000 0.442 40 T N -0.142 114.495 114.554 0.139 0.000 2.899 40 T HA 0.619 4.969 4.350 -0.001 0.000 0.295 40 T C 0.330 175.101 174.700 0.117 0.000 1.033 40 T CA 0.357 62.586 62.100 0.215 0.000 1.084 40 T CB 0.903 69.908 68.868 0.228 0.000 0.979 40 T HN 1.521 nan 8.240 nan 0.000 0.532 41 T N -2.139 112.483 114.554 0.112 0.000 2.841 41 T HA 0.468 4.817 4.350 -0.001 0.000 0.296 41 T C 1.353 176.086 174.700 0.055 0.000 1.166 41 T CA -0.249 61.898 62.100 0.078 0.000 1.007 41 T CB 1.260 70.179 68.868 0.086 0.000 1.253 41 T HN 0.760 nan 8.240 nan 0.000 0.511 42 S N 0.165 115.889 115.700 0.040 0.000 2.465 42 S HA -0.180 4.290 4.470 -0.001 0.000 0.241 42 S C 1.866 176.468 174.600 0.003 0.000 1.000 42 S CA 0.917 59.128 58.200 0.018 0.000 0.964 42 S CB -0.737 62.473 63.200 0.016 0.000 0.763 42 S HN 0.761 nan 8.310 nan 0.000 0.512 43 R N 1.507 122.017 120.500 0.018 0.000 2.159 43 R HA -0.081 4.258 4.340 -0.001 0.000 0.237 43 R C 1.731 178.027 176.300 -0.006 0.000 1.131 43 R CA 1.551 57.655 56.100 0.008 0.000 0.982 43 R CB -0.289 30.025 30.300 0.024 0.000 0.868 43 R HN 0.698 nan 8.270 nan 0.000 0.453 44 S N -1.868 113.832 115.700 -0.000 0.000 2.568 44 S HA 0.270 4.740 4.470 -0.001 0.000 0.232 44 S C 1.492 176.069 174.600 -0.038 0.000 0.975 44 S CA 0.054 58.246 58.200 -0.014 0.000 0.949 44 S CB 1.163 64.367 63.200 0.007 0.000 0.829 44 S HN 0.307 nan 8.310 nan 0.000 0.479 45 A N 2.291 125.078 122.820 -0.054 0.000 1.917 45 A HA 0.104 4.424 4.320 -0.001 0.000 0.219 45 A C 2.289 179.772 177.584 -0.168 0.000 1.182 45 A CA 1.779 53.756 52.037 -0.100 0.000 0.633 45 A CB -1.745 17.189 19.000 -0.110 0.000 0.819 45 A HN 0.682 nan 8.150 nan 0.000 0.448 46 G N -0.352 108.351 108.800 -0.162 0.000 2.469 46 G HA2 -0.173 3.786 3.960 -0.001 0.000 0.219 46 G HA3 -0.173 3.786 3.960 -0.001 0.000 0.219 46 G C 1.389 176.197 174.900 -0.154 0.000 1.150 46 G CA 1.332 46.315 45.100 -0.194 0.000 0.763 46 G HN 0.381 nan 8.290 nan 0.000 0.561 47 L N 0.243 121.409 121.223 -0.095 0.000 2.017 47 L HA 0.047 4.387 4.340 -0.001 0.000 0.208 47 L C 2.769 179.609 176.870 -0.050 0.000 1.073 47 L CA 1.642 56.447 54.840 -0.059 0.000 0.745 47 L CB -0.689 41.348 42.059 -0.038 0.000 0.894 47 L HN 0.168 nan 8.230 nan 0.000 0.432 48 R N -0.126 120.339 120.500 -0.059 0.000 2.081 48 R HA -0.156 4.183 4.340 -0.001 0.000 0.235 48 R C 2.224 178.492 176.300 -0.053 0.000 1.131 48 R CA 1.501 57.581 56.100 -0.033 0.000 0.960 48 R CB -0.462 29.821 30.300 -0.028 0.000 0.856 48 R HN 0.448 nan 8.270 nan 0.000 0.436 49 Q N 0.032 119.724 119.800 -0.179 0.000 2.112 49 Q HA -0.200 4.139 4.340 -0.001 0.000 0.206 49 Q C 1.969 177.950 176.000 -0.031 0.000 0.987 49 Q CA 2.133 57.772 55.803 -0.273 0.000 0.858 49 Q CB -0.106 28.183 28.738 -0.748 0.000 0.905 49 Q HN 0.367 nan 8.270 nan 0.000 0.420 50 K N 0.521 120.905 120.400 -0.027 0.000 2.097 50 K HA -0.112 4.208 4.320 -0.001 0.000 0.205 50 K C 1.980 178.667 176.600 0.144 0.000 1.050 50 K CA 0.993 57.321 56.287 0.067 0.000 0.938 50 K CB 0.030 32.546 32.500 0.026 0.000 0.718 50 K HN 0.095 nan 8.250 nan 0.000 0.442 51 K N 0.657 121.131 120.400 0.123 0.000 2.097 51 K HA -0.080 4.239 4.320 -0.001 0.000 0.205 51 K C 1.922 178.715 176.600 0.321 0.000 1.050 51 K CA 1.402 57.793 56.287 0.173 0.000 0.938 51 K CB 0.055 32.625 32.500 0.116 0.000 0.718 51 K HN 0.113 nan 8.250 nan 0.000 0.442 52 V N -1.510 118.580 119.914 0.294 0.000 3.649 52 V HA 0.085 4.205 4.120 -0.001 0.000 0.275 52 V C 0.275 176.559 176.094 0.316 0.000 1.281 52 V CA 0.131 62.650 62.300 0.365 0.000 1.143 52 V CB 0.089 32.074 31.823 0.269 0.000 0.892 52 V HN -0.060 nan 8.190 nan 0.000 0.441 53 T N 4.420 119.195 114.554 0.368 0.000 2.801 53 T HA 0.716 5.066 4.350 -0.001 0.000 0.306 53 T C -0.783 174.100 174.700 0.305 0.000 1.020 53 T CA -0.057 62.234 62.100 0.319 0.000 0.948 53 T CB 0.104 69.261 68.868 0.482 0.000 0.962 53 T HN 0.632 nan 8.240 nan 0.000 0.465 54 F N -0.071 119.981 119.950 0.170 0.000 2.713 54 F HA 0.674 5.201 4.527 -0.001 0.000 0.311 54 F C -1.039 174.798 175.800 0.062 0.000 1.141 54 F CA -1.767 56.294 58.000 0.102 0.000 0.939 54 F CB 0.748 39.800 39.000 0.086 0.000 1.325 54 F HN 0.205 nan 8.300 nan 0.000 0.453 55 D N 0.778 121.363 120.400 0.307 0.000 2.304 55 D HA 0.489 5.128 4.640 -0.001 0.000 0.250 55 D C -0.883 175.564 176.300 0.247 0.000 1.107 55 D CA 0.040 54.143 54.000 0.171 0.000 0.885 55 D CB 0.833 41.703 40.800 0.117 0.000 1.192 55 D HN 0.568 nan 8.370 nan 0.000 0.436 56 R N 2.393 122.967 120.500 0.124 0.000 2.514 56 R HA 0.639 4.978 4.340 -0.001 0.000 0.301 56 R C -0.867 175.466 176.300 0.056 0.000 0.962 56 R CA -0.552 55.623 56.100 0.125 0.000 0.882 56 R CB 1.266 31.607 30.300 0.069 0.000 1.143 56 R HN 0.416 nan 8.270 nan 0.000 0.452 57 L N 2.086 123.337 121.223 0.047 0.000 2.381 57 L HA 0.533 4.873 4.340 -0.001 0.000 0.268 57 L C -0.490 176.380 176.870 -0.001 0.000 0.997 57 L CA -0.752 54.096 54.840 0.014 0.000 0.818 57 L CB 2.269 44.335 42.059 0.012 0.000 1.310 57 L HN 0.424 nan 8.230 nan 0.000 0.416 58 Q N 1.906 121.694 119.800 -0.021 0.000 2.347 58 Q HA 0.578 4.918 4.340 -0.001 0.000 0.271 58 Q C -1.506 174.465 176.000 -0.048 0.000 1.064 58 Q CA -0.650 55.130 55.803 -0.038 0.000 0.800 58 Q CB 3.591 32.285 28.738 -0.074 0.000 1.304 58 Q HN 0.330 nan 8.270 nan 0.000 0.438 59 V N 4.475 124.369 119.914 -0.034 0.000 2.357 59 V HA 0.370 4.489 4.120 -0.001 0.000 0.281 59 V C -0.685 175.404 176.094 -0.009 0.000 1.015 59 V CA -0.493 61.790 62.300 -0.030 0.000 0.827 59 V CB 1.133 32.940 31.823 -0.026 0.000 1.018 59 V HN 0.613 nan 8.190 nan 0.000 0.432 60 L N 5.597 126.766 121.223 -0.090 0.000 2.272 60 L HA 0.614 4.954 4.340 -0.001 0.000 0.289 60 L C -0.017 176.850 176.870 -0.005 0.000 1.032 60 L CA -0.513 54.226 54.840 -0.168 0.000 0.810 60 L CB 1.397 43.208 42.059 -0.413 0.000 1.205 60 L HN 0.662 nan 8.230 nan 0.000 0.422 61 D N 0.377 120.841 120.400 0.106 0.000 2.588 61 D HA 0.135 4.775 4.640 -0.001 0.000 0.268 61 D C 0.358 176.714 176.300 0.093 0.000 1.176 61 D CA -0.658 53.398 54.000 0.093 0.000 1.080 61 D CB 0.733 41.597 40.800 0.106 0.000 1.186 61 D HN 0.310 nan 8.370 nan 0.000 0.619 62 D N -1.217 119.179 120.400 -0.007 0.000 2.123 62 D HA -0.169 4.470 4.640 -0.001 0.000 0.196 62 D C 1.732 178.024 176.300 -0.014 0.000 0.992 62 D CA 1.180 55.149 54.000 -0.052 0.000 0.833 62 D CB -0.072 40.638 40.800 -0.150 0.000 0.954 62 D HN 0.406 nan 8.370 nan 0.000 0.455 63 H N -0.311 118.817 119.070 0.098 0.000 2.352 63 H HA -0.163 4.392 4.556 -0.001 0.000 0.299 63 H C 2.035 177.400 175.328 0.061 0.000 1.097 63 H CA 1.008 57.107 56.048 0.086 0.000 1.311 63 H CB -0.722 29.116 29.762 0.128 0.000 1.377 63 H HN 0.341 nan 8.280 nan 0.000 0.504 64 Y N 1.798 122.123 120.300 0.042 0.000 2.097 64 Y HA -0.230 4.319 4.550 -0.001 0.000 0.282 64 Y C 2.765 178.605 175.900 -0.100 0.000 1.152 64 Y CA 1.667 59.666 58.100 -0.169 0.000 1.136 64 Y CB -0.159 38.095 38.460 -0.343 0.000 0.975 64 Y HN -0.064 nan 8.280 nan 0.000 0.498 65 R N 0.164 120.706 120.500 0.069 0.000 2.081 65 R HA -0.162 4.178 4.340 -0.001 0.000 0.235 65 R C 1.858 178.119 176.300 -0.065 0.000 1.131 65 R CA 1.614 57.700 56.100 -0.022 0.000 0.960 65 R CB -0.314 30.017 30.300 0.052 0.000 0.856 65 R HN 0.430 nan 8.270 nan 0.000 0.436 66 D N -0.076 120.314 120.400 -0.017 0.000 2.097 66 D HA -0.137 4.503 4.640 -0.001 0.000 0.195 66 D C 1.968 178.246 176.300 -0.036 0.000 0.989 66 D CA 1.142 55.138 54.000 -0.007 0.000 0.827 66 D CB -0.336 40.491 40.800 0.045 0.000 0.966 66 D HN 0.003 nan 8.370 nan 0.000 0.456 67 V N 1.225 121.102 119.914 -0.060 0.000 2.287 67 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 67 V C 2.508 178.528 176.094 -0.124 0.000 1.053 67 V CA 1.178 63.423 62.300 -0.090 0.000 1.027 67 V CB -0.497 31.241 31.823 -0.141 0.000 0.646 67 V HN 0.133 nan 8.190 nan 0.000 0.447 68 L N 0.519 121.602 121.223 -0.233 0.000 2.012 68 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 68 L C 2.430 179.226 176.870 -0.124 0.000 1.073 68 L CA 2.316 57.016 54.840 -0.234 0.000 0.748 68 L CB -0.870 40.974 42.059 -0.358 0.000 0.891 68 L HN 0.287 nan 8.230 nan 0.000 0.431 69 K N -0.567 119.777 120.400 -0.093 0.000 2.103 69 K HA -0.222 4.098 4.320 -0.001 0.000 0.207 69 K C 1.923 178.501 176.600 -0.036 0.000 1.048 69 K CA 1.898 58.153 56.287 -0.054 0.000 0.930 69 K CB -0.095 32.383 32.500 -0.036 0.000 0.716 69 K HN 0.536 nan 8.250 nan 0.000 0.444 70 E N 0.077 120.260 120.200 -0.028 0.000 2.072 70 E HA -0.170 4.180 4.350 -0.001 0.000 0.191 70 E C 2.092 178.690 176.600 -0.003 0.000 0.985 70 E CA 1.434 57.831 56.400 -0.005 0.000 0.801 70 E CB -0.054 29.654 29.700 0.014 0.000 0.750 70 E HN 0.355 nan 8.360 nan 0.000 0.452 71 M N 0.645 120.240 119.600 -0.008 0.000 2.117 71 M HA -0.172 4.307 4.480 -0.001 0.000 0.262 71 M C 2.142 178.419 176.300 -0.039 0.000 1.065 71 M CA 1.477 56.770 55.300 -0.012 0.000 1.114 71 M CB -0.180 32.415 32.600 -0.010 0.000 1.361 71 M HN -0.060 nan 8.290 nan 0.000 0.408 72 K N 0.319 120.690 120.400 -0.048 0.000 2.147 72 K HA -0.088 4.231 4.320 -0.001 0.000 0.205 72 K C 2.104 178.686 176.600 -0.030 0.000 1.049 72 K CA 1.324 57.584 56.287 -0.045 0.000 0.936 72 K CB -0.251 32.221 32.500 -0.048 0.000 0.722 72 K HN 0.304 nan 8.250 nan 0.000 0.446 73 A N 1.949 124.754 122.820 -0.024 0.000 1.877 73 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 73 A C 1.890 179.463 177.584 -0.018 0.000 1.186 73 A CA 1.566 53.593 52.037 -0.017 0.000 0.620 73 A CB -0.255 18.738 19.000 -0.011 0.000 0.822 73 A HN 0.190 nan 8.150 nan 0.000 0.443 74 K N -0.434 119.953 120.400 -0.023 0.000 2.062 74 K HA 0.040 4.359 4.320 -0.001 0.000 0.205 74 K C 2.301 178.879 176.600 -0.036 0.000 1.051 74 K CA 0.931 57.200 56.287 -0.030 0.000 0.941 74 K CB -0.306 32.170 32.500 -0.040 0.000 0.719 74 K HN 0.419 nan 8.250 nan 0.000 0.440 75 A N 1.735 124.532 122.820 -0.039 0.000 1.940 75 A HA -0.188 4.132 4.320 -0.001 0.000 0.219 75 A C 2.131 179.705 177.584 -0.018 0.000 1.176 75 A CA 2.139 54.156 52.037 -0.033 0.000 0.631 75 A CB -0.700 18.281 19.000 -0.031 0.000 0.814 75 A HN 0.402 nan 8.150 nan 0.000 0.446 76 S N -0.294 115.397 115.700 -0.015 0.000 2.547 76 S HA -0.104 4.366 4.470 -0.001 0.000 0.235 76 S C 1.546 176.141 174.600 -0.008 0.000 0.980 76 S CA 1.644 59.839 58.200 -0.007 0.000 0.941 76 S CB -1.062 62.134 63.200 -0.007 0.000 0.763 76 S HN 0.804 nan 8.310 nan 0.000 0.532 77 T N -1.196 113.350 114.554 -0.013 0.000 3.081 77 T HA 0.323 4.672 4.350 -0.001 0.000 0.250 77 T C 0.416 175.107 174.700 -0.015 0.000 1.100 77 T CA -0.231 61.861 62.100 -0.013 0.000 1.038 77 T CB -0.292 68.566 68.868 -0.017 0.000 0.962 77 T HN 0.167 nan 8.240 nan 0.000 0.516 78 V N 1.987 121.892 119.914 -0.016 0.000 2.546 78 V HA 0.404 4.523 4.120 -0.001 0.000 0.284 78 V C 0.071 176.161 176.094 -0.006 0.000 1.050 78 V CA -0.761 61.529 62.300 -0.018 0.000 0.981 78 V CB 1.244 33.052 31.823 -0.025 0.000 0.990 78 V HN 0.391 nan 8.190 nan 0.000 0.474 79 K N 3.810 124.206 120.400 -0.006 0.000 2.394 79 K HA 0.738 5.058 4.320 -0.001 0.000 0.260 79 K C -0.582 176.019 176.600 0.002 0.000 0.967 79 K CA -0.380 55.908 56.287 0.002 0.000 0.855 79 K CB 1.382 33.883 32.500 0.003 0.000 1.101 79 K HN 0.826 nan 8.250 nan 0.000 0.433 80 A N 4.060 126.885 122.820 0.009 0.000 2.325 80 A HA 0.511 4.831 4.320 -0.001 0.000 0.333 80 A C -1.030 176.567 177.584 0.022 0.000 1.155 80 A CA -0.870 51.173 52.037 0.009 0.000 0.814 80 A CB 0.770 19.773 19.000 0.005 0.000 1.206 80 A HN 0.844 nan 8.150 nan 0.000 0.482 81 K N 1.234 121.649 120.400 0.025 0.000 2.156 81 K HA 0.716 5.035 4.320 -0.001 0.000 0.250 81 K C -1.107 175.517 176.600 0.040 0.000 0.955 81 K CA -0.740 55.565 56.287 0.030 0.000 0.855 81 K CB 1.292 33.807 32.500 0.025 0.000 1.101 81 K HN 0.371 nan 8.250 nan 0.000 0.434 82 L N 2.421 123.664 121.223 0.033 0.000 2.371 82 L HA 0.270 4.610 4.340 -0.001 0.000 0.272 82 L C -0.918 175.940 176.870 -0.020 0.000 1.124 82 L CA -0.574 54.280 54.840 0.022 0.000 0.816 82 L CB 0.884 42.956 42.059 0.021 0.000 1.129 82 L HN 0.637 nan 8.230 nan 0.000 0.448 83 L N 3.340 124.536 121.223 -0.045 0.000 2.334 83 L HA 0.447 4.786 4.340 -0.001 0.000 0.277 83 L C 0.448 177.220 176.870 -0.164 0.000 1.075 83 L CA 0.316 55.113 54.840 -0.072 0.000 0.804 83 L CB 1.463 43.492 42.059 -0.049 0.000 1.174 83 L HN 0.862 nan 8.230 nan 0.000 0.438 84 S N 2.247 117.860 115.700 -0.144 0.000 2.617 84 S HA 0.187 4.657 4.470 -0.001 0.000 0.259 84 S C 1.251 175.719 174.600 -0.220 0.000 1.301 84 S CA -0.487 57.607 58.200 -0.177 0.000 0.984 84 S CB 0.729 63.860 63.200 -0.115 0.000 0.954 84 S HN 0.353 nan 8.310 nan 0.000 0.572 85 V N 1.036 120.803 119.914 -0.245 0.000 2.358 85 V HA -0.125 3.994 4.120 -0.001 0.000 0.246 85 V C 2.796 178.777 176.094 -0.189 0.000 1.047 85 V CA 2.213 64.349 62.300 -0.274 0.000 1.035 85 V CB -1.252 30.359 31.823 -0.353 0.000 0.658 85 V HN 1.017 nan 8.190 nan 0.000 0.452 86 E N 0.161 120.277 120.200 -0.140 0.000 2.077 86 E HA -0.268 4.082 4.350 -0.001 0.000 0.193 86 E C 2.192 178.724 176.600 -0.113 0.000 0.989 86 E CA 1.631 57.967 56.400 -0.108 0.000 0.800 86 E CB -0.022 29.632 29.700 -0.077 0.000 0.746 86 E HN 0.715 nan 8.360 nan 0.000 0.452 87 E N 0.073 120.201 120.200 -0.119 0.000 2.051 87 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 87 E C 2.030 178.526 176.600 -0.175 0.000 0.991 87 E CA 1.050 57.374 56.400 -0.127 0.000 0.799 87 E CB -0.153 29.482 29.700 -0.109 0.000 0.748 87 E HN 0.330 nan 8.360 nan 0.000 0.449 88 A N 0.701 123.411 122.820 -0.184 0.000 1.902 88 A HA -0.217 4.103 4.320 -0.001 0.000 0.217 88 A C 2.434 179.912 177.584 -0.177 0.000 1.181 88 A CA 1.326 53.242 52.037 -0.202 0.000 0.623 88 A CB -0.958 17.939 19.000 -0.172 0.000 0.818 88 A HN 0.390 nan 8.150 nan 0.000 0.443 89 C N -0.369 118.844 119.300 -0.146 0.000 2.413 89 C HA -0.081 4.378 4.460 -0.001 0.000 0.276 89 C C 2.478 177.402 174.990 -0.110 0.000 1.248 89 C CA 1.354 60.303 59.018 -0.115 0.000 1.742 89 C CB -0.799 26.877 27.740 -0.106 0.000 2.017 89 C HN 0.466 nan 8.230 nan 0.000 0.481 90 K N 0.814 121.147 120.400 -0.111 0.000 2.515 90 K HA 0.118 4.438 4.320 -0.001 0.000 0.196 90 K C 1.380 177.926 176.600 -0.090 0.000 1.038 90 K CA 0.690 56.928 56.287 -0.082 0.000 0.967 90 K CB -0.452 32.010 32.500 -0.064 0.000 0.780 90 K HN 0.553 nan 8.250 nan 0.000 0.483 91 L N 0.490 121.605 121.223 -0.181 0.000 2.592 91 L HA 0.047 4.386 4.340 -0.001 0.000 0.227 91 L C 0.203 176.955 176.870 -0.197 0.000 1.127 91 L CA 0.093 54.769 54.840 -0.274 0.000 0.884 91 L CB 0.011 41.773 42.059 -0.495 0.000 1.065 91 L HN -0.121 nan 8.230 nan 0.000 0.457 92 T N 1.787 116.258 114.554 -0.139 0.000 2.794 92 T HA 0.211 4.561 4.350 -0.001 0.000 0.296 92 T C -2.328 172.262 174.700 -0.184 0.000 0.949 92 T CA -1.094 60.929 62.100 -0.129 0.000 1.101 92 T CB 1.096 69.908 68.868 -0.093 0.000 0.905 92 T HN -0.144 nan 8.240 nan 0.000 0.516 93 P HA 0.138 nan 4.420 nan 0.000 0.267 93 P C -1.894 175.194 177.300 -0.353 0.000 1.205 93 P CA -1.283 61.617 63.100 -0.332 0.000 0.765 93 P CB 0.299 31.897 31.700 -0.170 0.000 0.828 94 P HA -0.172 nan 4.420 nan 0.000 0.217 94 P C 0.460 177.764 177.300 0.006 0.000 1.148 94 P CA 1.660 64.580 63.100 -0.301 0.000 0.828 94 P CB -0.174 31.266 31.700 -0.434 0.000 0.783 95 H N -2.197 116.758 119.070 -0.191 0.000 2.507 95 H HA 0.267 4.822 4.556 -0.001 0.000 0.294 95 H C 0.487 175.745 175.328 -0.116 0.000 1.064 95 H CA -0.660 55.314 56.048 -0.125 0.000 1.138 95 H CB 0.268 29.970 29.762 -0.099 0.000 1.515 95 H HN 0.050 nan 8.280 nan 0.000 0.547 96 S N 1.434 117.122 115.700 -0.020 0.000 2.562 96 S HA 0.287 4.757 4.470 -0.001 0.000 0.281 96 S C 0.685 175.251 174.600 -0.056 0.000 1.333 96 S CA -0.698 57.464 58.200 -0.063 0.000 1.052 96 S CB 0.376 63.532 63.200 -0.074 0.000 0.884 96 S HN 0.476 nan 8.310 nan 0.000 0.506 97 A N 4.782 127.547 122.820 -0.093 0.000 2.567 97 A HA 0.208 4.527 4.320 -0.001 0.000 0.240 97 A C 0.635 178.205 177.584 -0.022 0.000 1.053 97 A CA -0.006 51.995 52.037 -0.059 0.000 0.755 97 A CB -0.259 18.692 19.000 -0.081 0.000 0.978 97 A HN 0.891 nan 8.150 nan 0.000 0.507 98 K N 2.240 122.621 120.400 -0.032 0.000 2.276 98 K HA 0.337 4.657 4.320 -0.001 0.000 0.259 98 K C 0.367 176.900 176.600 -0.111 0.000 1.001 98 K CA 0.071 56.316 56.287 -0.070 0.000 0.927 98 K CB 0.427 32.880 32.500 -0.079 0.000 0.969 98 K HN 0.463 nan 8.250 nan 0.000 0.490 99 S N -0.117 115.415 115.700 -0.279 0.000 2.592 99 S HA 0.054 4.523 4.470 -0.001 0.000 0.271 99 S C 0.651 175.058 174.600 -0.321 0.000 1.326 99 S CA -0.623 57.370 58.200 -0.345 0.000 1.024 99 S CB 0.584 63.231 63.200 -0.921 0.000 0.921 99 S HN 0.750 nan 8.310 nan 0.000 0.527 100 K N 1.954 122.147 120.400 -0.345 0.000 2.444 100 K HA 0.144 4.463 4.320 -0.001 0.000 0.193 100 K C -0.028 176.170 176.600 -0.669 0.000 1.024 100 K CA 0.690 56.681 56.287 -0.492 0.000 1.077 100 K CB -0.182 31.979 32.500 -0.566 0.000 0.833 100 K HN 0.529 nan 8.250 nan 0.000 0.517 101 F N 1.487 121.252 119.950 -0.309 0.000 2.730 101 F HA 0.353 4.880 4.527 -0.001 0.000 0.295 101 F C 0.947 176.622 175.800 -0.208 0.000 1.143 101 F CA -0.256 57.565 58.000 -0.299 0.000 1.367 101 F CB 0.860 39.533 39.000 -0.545 0.000 0.970 101 F HN 0.263 nan 8.300 nan 0.000 0.514 102 G N 0.670 109.415 108.800 -0.092 0.000 2.165 102 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.226 102 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.226 102 G C -0.496 174.486 174.900 0.136 0.000 1.035 102 G CA 0.011 45.123 45.100 0.021 0.000 0.744 102 G HN 0.592 nan 8.290 nan 0.000 0.501 103 Y N -2.967 117.334 120.300 0.001 0.000 2.620 103 Y HA 0.694 5.244 4.550 -0.001 0.000 0.331 103 Y C 0.237 176.146 175.900 0.014 0.000 1.173 103 Y CA -1.005 57.101 58.100 0.009 0.000 1.076 103 Y CB 0.381 38.854 38.460 0.021 0.000 1.336 103 Y HN 0.792 nan 8.280 nan 0.000 0.459 104 G N 0.179 109.077 108.800 0.164 0.000 3.016 104 G HA2 0.565 4.524 3.960 -0.001 0.000 0.270 104 G HA3 0.565 4.524 3.960 -0.001 0.000 0.270 104 G C 0.343 175.325 174.900 0.136 0.000 1.352 104 G CA -0.776 44.367 45.100 0.073 0.000 1.060 104 G HN 1.282 nan 8.290 nan 0.000 0.538 105 A N -0.457 122.397 122.820 0.057 0.000 1.940 105 A HA -0.024 4.295 4.320 -0.001 0.000 0.219 105 A C 2.299 179.893 177.584 0.015 0.000 1.176 105 A CA 1.799 53.856 52.037 0.032 0.000 0.631 105 A CB -0.337 18.654 19.000 -0.015 0.000 0.814 105 A HN 0.399 nan 8.150 nan 0.000 0.446 106 K N 0.147 120.557 120.400 0.016 0.000 2.057 106 K HA -0.124 4.196 4.320 -0.001 0.000 0.206 106 K C 1.424 178.030 176.600 0.011 0.000 1.050 106 K CA 1.470 57.758 56.287 0.001 0.000 0.935 106 K CB -0.533 31.970 32.500 0.004 0.000 0.715 106 K HN 0.506 nan 8.250 nan 0.000 0.439 107 D N 0.527 120.956 120.400 0.049 0.000 2.144 107 D HA -0.108 4.531 4.640 -0.001 0.000 0.199 107 D C 2.028 178.330 176.300 0.002 0.000 0.984 107 D CA 0.678 54.703 54.000 0.042 0.000 0.834 107 D CB -0.147 40.719 40.800 0.110 0.000 0.955 107 D HN -0.083 nan 8.370 nan 0.000 0.465 108 V N 1.081 121.016 119.914 0.034 0.000 2.307 108 V HA -0.179 3.941 4.120 -0.001 0.000 0.245 108 V C 2.421 178.489 176.094 -0.043 0.000 1.045 108 V CA 1.424 63.717 62.300 -0.011 0.000 1.024 108 V CB -0.328 31.524 31.823 0.050 0.000 0.651 108 V HN 0.119 nan 8.190 nan 0.000 0.449 109 R N 0.397 120.872 120.500 -0.041 0.000 2.148 109 R HA -0.066 4.273 4.340 -0.001 0.000 0.227 109 R C 1.781 178.052 176.300 -0.049 0.000 1.103 109 R CA 1.145 57.210 56.100 -0.059 0.000 0.983 109 R CB -0.303 29.949 30.300 -0.079 0.000 0.874 109 R HN 0.521 nan 8.270 nan 0.000 0.451 110 N N 0.768 119.445 118.700 -0.039 0.000 2.412 110 N HA 0.057 4.797 4.740 -0.001 0.000 0.184 110 N C 0.236 175.722 175.510 -0.039 0.000 1.101 110 N CA 0.341 53.371 53.050 -0.033 0.000 0.881 110 N CB 0.407 38.880 38.487 -0.023 0.000 0.969 110 N HN 0.130 nan 8.380 nan 0.000 0.459 111 L N 0.584 121.775 121.223 -0.053 0.000 3.730 111 L HA -0.201 4.138 4.340 -0.001 0.000 0.410 111 L C -0.303 176.531 176.870 -0.060 0.000 1.234 111 L CA -0.185 54.617 54.840 -0.064 0.000 0.911 111 L CB -2.601 39.427 42.059 -0.052 0.000 1.942 111 L HN -0.063 nan 8.230 nan 0.000 0.860 112 S N 0.147 115.809 115.700 -0.064 0.000 2.558 112 S HA 0.095 4.565 4.470 -0.001 0.000 0.291 112 S C 1.519 176.077 174.600 -0.070 0.000 1.306 112 S CA 0.251 58.417 58.200 -0.056 0.000 1.056 112 S CB 1.524 64.694 63.200 -0.049 0.000 0.836 112 S HN 0.633 nan 8.310 nan 0.000 0.504 113 S N 3.126 118.800 115.700 -0.042 0.000 2.382 113 S HA -0.189 4.281 4.470 -0.001 0.000 0.228 113 S C 1.680 176.253 174.600 -0.045 0.000 1.027 113 S CA 1.163 59.344 58.200 -0.032 0.000 0.991 113 S CB -0.291 62.901 63.200 -0.014 0.000 0.823 113 S HN 0.720 nan 8.310 nan 0.000 0.469 114 K N 1.660 122.028 120.400 -0.053 0.000 2.026 114 K HA -0.029 4.290 4.320 -0.001 0.000 0.208 114 K C 2.395 178.876 176.600 -0.199 0.000 1.048 114 K CA 1.222 57.477 56.287 -0.053 0.000 0.929 114 K CB -0.666 31.834 32.500 -0.001 0.000 0.713 114 K HN 0.440 nan 8.250 nan 0.000 0.439 115 A N 0.631 123.222 122.820 -0.383 0.000 1.858 115 A HA -0.123 4.196 4.320 -0.001 0.000 0.216 115 A C 2.265 179.575 177.584 -0.456 0.000 1.190 115 A CA 1.789 53.315 52.037 -0.852 0.000 0.617 115 A CB -0.845 17.772 19.000 -0.639 0.000 0.827 115 A HN 0.174 nan 8.150 nan 0.000 0.443 116 V N 1.227 120.998 119.914 -0.238 0.000 2.332 116 V HA -0.303 3.816 4.120 -0.001 0.000 0.248 116 V C 2.352 178.434 176.094 -0.020 0.000 1.055 116 V CA 2.206 64.422 62.300 -0.140 0.000 1.038 116 V CB -1.053 30.740 31.823 -0.050 0.000 0.651 116 V HN 0.554 nan 8.190 nan 0.000 0.450 117 N N -0.636 118.077 118.700 0.022 0.000 2.084 117 N HA -0.194 4.546 4.740 -0.001 0.000 0.190 117 N C 1.909 177.468 175.510 0.081 0.000 1.030 117 N CA 1.713 54.819 53.050 0.093 0.000 0.849 117 N CB -0.574 37.945 38.487 0.053 0.000 1.012 117 N HN 0.662 nan 8.380 nan 0.000 0.423 118 H N 0.913 119.946 119.070 -0.062 0.000 2.387 118 H HA 0.027 4.582 4.556 -0.001 0.000 0.299 118 H C 2.119 177.433 175.328 -0.024 0.000 1.090 118 H CA 0.955 56.986 56.048 -0.028 0.000 1.332 118 H CB 0.045 29.840 29.762 0.055 0.000 1.386 118 H HN 0.138 nan 8.280 nan 0.000 0.516 119 I N 0.205 120.683 120.570 -0.153 0.000 2.226 119 I HA -0.301 3.869 4.170 -0.001 0.000 0.245 119 I C 2.277 178.301 176.117 -0.155 0.000 1.100 119 I CA 1.484 62.670 61.300 -0.190 0.000 1.374 119 I CB -0.424 37.448 38.000 -0.214 0.000 1.057 119 I HN 0.338 nan 8.210 nan 0.000 0.413 120 H N -0.064 118.965 119.070 -0.068 0.000 2.421 120 H HA -0.150 4.406 4.556 -0.001 0.000 0.298 120 H C 2.527 177.864 175.328 0.015 0.000 1.087 120 H CA 1.756 57.799 56.048 -0.008 0.000 1.330 120 H CB 0.056 29.801 29.762 -0.028 0.000 1.388 120 H HN 0.385 nan 8.280 nan 0.000 0.526 121 S N -0.219 115.504 115.700 0.039 0.000 2.371 121 S HA -0.112 4.357 4.470 -0.001 0.000 0.224 121 S C 2.264 176.807 174.600 -0.095 0.000 1.029 121 S CA 1.048 59.230 58.200 -0.031 0.000 0.978 121 S CB -0.657 62.500 63.200 -0.072 0.000 0.833 121 S HN 0.154 nan 8.310 nan 0.000 0.466 122 V N 1.040 120.826 119.914 -0.213 0.000 2.343 122 V HA -0.139 3.980 4.120 -0.001 0.000 0.247 122 V C 2.263 178.334 176.094 -0.038 0.000 1.051 122 V CA 1.872 64.060 62.300 -0.188 0.000 1.036 122 V CB -1.106 30.571 31.823 -0.244 0.000 0.654 122 V HN 0.714 nan 8.190 nan 0.000 0.451 123 W N 1.410 122.632 121.300 -0.129 0.000 2.335 123 W HA -0.237 4.423 4.660 -0.001 0.000 0.311 123 W C 2.518 179.008 176.519 -0.049 0.000 1.213 123 W CA 2.339 59.638 57.345 -0.076 0.000 1.274 123 W CB -0.168 29.255 29.460 -0.062 0.000 1.148 123 W HN 0.244 nan 8.180 nan 0.000 0.498 124 K N 0.556 121.009 120.400 0.089 0.000 2.103 124 K HA -0.269 4.050 4.320 -0.001 0.000 0.207 124 K C 1.740 178.277 176.600 -0.104 0.000 1.048 124 K CA 2.251 58.538 56.287 -0.001 0.000 0.930 124 K CB -0.576 31.957 32.500 0.056 0.000 0.716 124 K HN 0.028 nan 8.250 nan 0.000 0.444 125 D N 0.205 120.545 120.400 -0.101 0.000 2.144 125 D HA -0.134 4.506 4.640 -0.001 0.000 0.200 125 D C 1.943 178.146 176.300 -0.162 0.000 0.978 125 D CA 0.924 54.857 54.000 -0.112 0.000 0.833 125 D CB 0.082 40.823 40.800 -0.098 0.000 0.961 125 D HN 0.209 nan 8.370 nan 0.000 0.470 126 L N -0.094 120.985 121.223 -0.240 0.000 2.083 126 L HA -0.136 4.203 4.340 -0.001 0.000 0.209 126 L C 2.466 179.143 176.870 -0.323 0.000 1.083 126 L CA 0.666 55.323 54.840 -0.304 0.000 0.752 126 L CB -0.372 41.423 42.059 -0.440 0.000 0.899 126 L HN 0.215 nan 8.230 nan 0.000 0.433 127 L N -0.775 120.220 121.223 -0.380 0.000 2.093 127 L HA -0.141 4.199 4.340 -0.001 0.000 0.208 127 L C 2.430 179.203 176.870 -0.162 0.000 1.085 127 L CA 0.992 55.660 54.840 -0.287 0.000 0.755 127 L CB -0.390 41.508 42.059 -0.269 0.000 0.904 127 L HN 0.279 nan 8.230 nan 0.000 0.435 128 E N -0.816 119.304 120.200 -0.132 0.000 2.442 128 E HA -0.016 4.333 4.350 -0.001 0.000 0.195 128 E C -0.052 176.502 176.600 -0.075 0.000 1.030 128 E CA 0.331 56.681 56.400 -0.084 0.000 0.869 128 E CB 0.232 29.895 29.700 -0.063 0.000 0.857 128 E HN 0.258 nan 8.360 nan 0.000 0.505 129 D N 0.379 120.724 120.400 -0.091 0.000 2.686 129 D HA 0.059 4.699 4.640 -0.001 0.000 0.249 129 D C -0.078 176.172 176.300 -0.084 0.000 1.260 129 D CA -0.349 53.606 54.000 -0.074 0.000 0.910 129 D CB 1.319 42.081 40.800 -0.063 0.000 1.323 129 D HN -0.114 nan 8.370 nan 0.000 0.561 130 T N 0.514 115.028 114.554 -0.067 0.000 3.215 130 T HA 0.221 4.570 4.350 -0.001 0.000 0.271 130 T C 0.795 175.467 174.700 -0.047 0.000 1.012 130 T CA -0.065 61.995 62.100 -0.066 0.000 0.899 130 T CB 0.288 69.121 68.868 -0.057 0.000 1.089 130 T HN 0.162 nan 8.240 nan 0.000 0.552 131 V N 0.219 120.109 119.914 -0.039 0.000 3.408 131 V HA 0.295 4.414 4.120 -0.001 0.000 0.263 131 V C 0.248 176.334 176.094 -0.015 0.000 1.503 131 V CA 0.354 62.639 62.300 -0.024 0.000 1.046 131 V CB 0.574 32.386 31.823 -0.019 0.000 0.851 131 V HN 0.505 nan 8.190 nan 0.000 0.435 132 T N 4.790 119.332 114.554 -0.020 0.000 2.769 132 T HA 0.287 4.636 4.350 -0.001 0.000 0.293 132 T C -2.549 172.150 174.700 -0.002 0.000 0.931 132 T CA -0.488 61.608 62.100 -0.006 0.000 1.139 132 T CB 0.918 69.781 68.868 -0.009 0.000 0.881 132 T HN 0.316 nan 8.240 nan 0.000 0.532 133 P HA 0.111 nan 4.420 nan 0.000 0.262 133 P C -0.232 177.076 177.300 0.013 0.000 1.182 133 P CA 0.026 63.145 63.100 0.032 0.000 0.761 133 P CB 0.315 32.082 31.700 0.111 0.000 0.795 134 I N 2.552 123.111 120.570 -0.017 0.000 2.396 134 I HA 0.159 4.329 4.170 -0.001 0.000 0.292 134 I C 0.991 177.103 176.117 -0.008 0.000 0.999 134 I CA -0.465 60.828 61.300 -0.011 0.000 1.310 134 I CB 0.739 38.717 38.000 -0.037 0.000 1.404 134 I HN 0.302 nan 8.210 nan 0.000 0.496 135 D N 4.024 124.435 120.400 0.018 0.000 2.368 135 D HA 0.265 4.904 4.640 -0.001 0.000 0.240 135 D C -0.447 175.833 176.300 -0.033 0.000 1.169 135 D CA 0.264 54.264 54.000 0.001 0.000 0.906 135 D CB 0.892 41.706 40.800 0.024 0.000 1.187 135 D HN 0.641 nan 8.370 nan 0.000 0.435 136 T N -1.488 113.019 114.554 -0.079 0.000 2.894 136 T HA 0.550 4.899 4.350 -0.001 0.000 0.309 136 T C -0.626 173.935 174.700 -0.232 0.000 1.208 136 T CA -0.970 61.039 62.100 -0.151 0.000 1.016 136 T CB 1.377 70.180 68.868 -0.110 0.000 1.192 136 T HN 0.183 nan 8.240 nan 0.000 0.491 137 T N 2.507 116.770 114.554 -0.485 0.000 2.771 137 T HA 0.576 4.925 4.350 -0.001 0.000 0.281 137 T C -0.273 174.183 174.700 -0.407 0.000 0.982 137 T CA -0.600 61.196 62.100 -0.507 0.000 0.978 137 T CB 0.684 69.074 68.868 -0.796 0.000 0.930 137 T HN 0.731 nan 8.240 nan 0.000 0.447 138 I N 4.498 124.987 120.570 -0.134 0.000 2.359 138 I HA 0.527 4.696 4.170 -0.001 0.000 0.294 138 I C -0.855 175.289 176.117 0.045 0.000 0.987 138 I CA -0.735 60.567 61.300 0.004 0.000 1.225 138 I CB 0.620 38.675 38.000 0.091 0.000 1.366 138 I HN 0.415 nan 8.210 nan 0.000 0.466 139 M N 6.193 125.863 119.600 0.117 0.000 2.631 139 M HA 0.517 4.997 4.480 -0.001 0.000 0.288 139 M C -0.710 175.653 176.300 0.105 0.000 1.260 139 M CA -0.638 54.739 55.300 0.127 0.000 0.842 139 M CB 1.826 34.557 32.600 0.218 0.000 1.743 139 M HN 0.586 nan 8.290 nan 0.000 0.461 140 A N 1.758 124.623 122.820 0.075 0.000 2.290 140 A HA 0.568 4.887 4.320 -0.001 0.000 0.310 140 A C -0.232 177.394 177.584 0.070 0.000 1.202 140 A CA -0.555 51.517 52.037 0.060 0.000 0.837 140 A CB 0.458 19.480 19.000 0.037 0.000 1.139 140 A HN 0.753 nan 8.150 nan 0.000 0.509 141 K N 1.732 122.176 120.400 0.073 0.000 2.270 141 K HA 0.147 4.467 4.320 -0.001 0.000 0.276 141 K C -0.601 176.021 176.600 0.035 0.000 1.023 141 K CA 0.001 56.322 56.287 0.056 0.000 0.955 141 K CB 0.671 33.210 32.500 0.065 0.000 0.975 141 K HN 0.780 nan 8.250 nan 0.000 0.471 142 N N 2.673 121.367 118.700 -0.009 0.000 2.527 142 N HA 0.094 4.834 4.740 -0.001 0.000 0.236 142 N C -1.246 174.166 175.510 -0.164 0.000 0.999 142 N CA -0.285 52.727 53.050 -0.063 0.000 0.935 142 N CB 0.930 39.376 38.487 -0.068 0.000 1.132 142 N HN 0.370 nan 8.380 nan 0.000 0.511 143 E N 1.074 121.170 120.200 -0.173 0.000 2.288 143 E HA 0.392 4.742 4.350 -0.001 0.000 0.268 143 E C -0.851 175.385 176.600 -0.606 0.000 0.885 143 E CA -0.948 55.230 56.400 -0.371 0.000 0.767 143 E CB 2.607 32.152 29.700 -0.258 0.000 1.220 143 E HN 0.098 nan 8.360 nan 0.000 0.427 144 V N 3.217 122.613 119.914 -0.863 0.000 2.481 144 V HA 0.471 4.591 4.120 -0.001 0.000 0.286 144 V C -0.652 174.809 176.094 -1.056 0.000 1.042 144 V CA -0.084 61.716 62.300 -0.833 0.000 0.928 144 V CB 0.059 31.499 31.823 -0.639 0.000 0.986 144 V HN 0.527 nan 8.190 nan 0.000 0.462 145 F N 2.084 121.693 119.950 -0.568 0.000 2.715 145 F HA 0.580 5.107 4.527 -0.001 0.000 0.318 145 F C -0.044 175.560 175.800 -0.327 0.000 1.141 145 F CA -0.720 57.024 58.000 -0.426 0.000 0.950 145 F CB 1.361 40.113 39.000 -0.413 0.000 1.374 145 F HN 0.543 nan 8.300 nan 0.000 0.477 146 C N 2.711 122.110 119.300 0.164 0.000 2.341 146 C HA 0.788 5.248 4.460 -0.001 0.000 0.338 146 C C 0.025 175.223 174.990 0.347 0.000 1.257 146 C CA -0.732 58.414 59.018 0.214 0.000 1.883 146 C CB 0.022 27.847 27.740 0.141 0.000 2.334 146 C HN 0.736 nan 8.230 nan 0.000 0.524 147 V N 5.260 125.417 119.914 0.405 0.000 2.694 147 V HA 0.245 4.365 4.120 -0.001 0.000 0.306 147 V C -0.110 176.084 176.094 0.167 0.000 1.054 147 V CA 0.491 62.976 62.300 0.308 0.000 1.161 147 V CB 0.202 32.118 31.823 0.155 0.000 0.916 147 V HN 0.925 nan 8.190 nan 0.000 0.490 148 Q N 6.122 125.989 119.800 0.112 0.000 2.456 148 Q HA 0.337 4.676 4.340 -0.001 0.000 0.252 148 Q C -1.668 174.347 176.000 0.025 0.000 1.042 148 Q CA -1.864 53.974 55.803 0.057 0.000 0.766 148 Q CB 2.075 30.835 28.738 0.036 0.000 1.196 148 Q HN 0.709 nan 8.270 nan 0.000 0.504 149 P HA -0.244 nan 4.420 nan 0.000 0.215 149 P C -0.030 177.270 177.300 -0.001 0.000 1.157 149 P CA 1.412 64.515 63.100 0.005 0.000 0.868 149 P CB 0.186 31.890 31.700 0.007 0.000 0.788 150 E N -0.064 120.137 120.200 0.002 0.000 2.392 150 E HA 0.161 4.510 4.350 -0.001 0.000 0.307 150 E C 0.674 177.271 176.600 -0.005 0.000 1.505 150 E CA -0.395 56.004 56.400 -0.002 0.000 1.716 150 E CB 0.076 29.777 29.700 0.001 0.000 1.450 150 E HN 0.095 nan 8.360 nan 0.000 0.484 151 K N -0.341 120.053 120.400 -0.009 0.000 2.824 151 K HA 0.125 4.445 4.320 -0.001 0.000 0.178 151 K C 0.926 177.513 176.600 -0.021 0.000 1.749 151 K CA 0.855 57.133 56.287 -0.016 0.000 1.342 151 K CB 1.427 33.916 32.500 -0.018 0.000 1.902 151 K HN 0.383 nan 8.250 nan 0.000 0.618 152 G N 0.097 108.883 108.800 -0.023 0.000 3.290 152 G HA2 0.186 4.146 3.960 -0.001 0.000 0.220 152 G HA3 0.186 4.146 3.960 -0.001 0.000 0.220 152 G C 0.634 175.508 174.900 -0.043 0.000 0.940 152 G CA 0.579 45.661 45.100 -0.030 0.000 0.884 152 G HN 0.591 nan 8.290 nan 0.000 0.649 153 G N 0.340 109.116 108.800 -0.040 0.000 3.692 153 G HA2 -0.163 3.796 3.960 -0.001 0.000 0.265 153 G HA3 -0.163 3.796 3.960 -0.001 0.000 0.265 153 G C 0.126 174.968 174.900 -0.097 0.000 1.733 153 G CA 0.313 45.375 45.100 -0.063 0.000 1.144 153 G HN 0.865 nan 8.290 nan 0.000 0.602 154 R N 0.965 121.361 120.500 -0.173 0.000 2.711 154 R HA 0.574 4.914 4.340 -0.001 0.000 0.284 154 R C -0.506 175.736 176.300 -0.096 0.000 0.968 154 R CA -0.829 55.108 56.100 -0.272 0.000 0.924 154 R CB 1.806 31.696 30.300 -0.683 0.000 1.162 154 R HN 0.391 nan 8.270 nan 0.000 0.465 155 K N 3.082 123.495 120.400 0.021 0.000 2.249 155 K HA 0.257 4.576 4.320 -0.001 0.000 0.280 155 K C -2.062 174.554 176.600 0.027 0.000 1.033 155 K CA -1.547 54.716 56.287 -0.040 0.000 0.946 155 K CB 0.582 32.943 32.500 -0.233 0.000 1.005 155 K HN 0.323 nan 8.250 nan 0.000 0.469 156 P HA 0.047 nan 4.420 nan 0.000 0.274 156 P C -0.705 176.630 177.300 0.058 0.000 1.231 156 P CA -0.442 62.675 63.100 0.028 0.000 0.790 156 P CB 0.794 32.495 31.700 0.001 0.000 0.951 157 A N 3.523 126.389 122.820 0.077 0.000 2.555 157 A HA 0.060 4.379 4.320 -0.001 0.000 0.233 157 A C 0.683 178.314 177.584 0.078 0.000 1.060 157 A CA 0.132 52.227 52.037 0.096 0.000 0.759 157 A CB -0.253 18.792 19.000 0.075 0.000 0.995 157 A HN 0.482 nan 8.150 nan 0.000 0.506 158 R N 0.117 120.680 120.500 0.105 0.000 2.528 158 R HA 0.474 4.814 4.340 -0.001 0.000 0.271 158 R C -1.089 175.268 176.300 0.095 0.000 1.056 158 R CA -0.790 55.372 56.100 0.104 0.000 1.117 158 R CB 0.551 30.930 30.300 0.132 0.000 1.085 158 R HN 0.488 nan 8.270 nan 0.000 0.530 159 L N 2.158 123.442 121.223 0.100 0.000 2.322 159 L HA 0.465 4.804 4.340 -0.001 0.000 0.279 159 L C -0.348 176.612 176.870 0.151 0.000 1.036 159 L CA -0.628 54.275 54.840 0.106 0.000 0.807 159 L CB 1.230 43.336 42.059 0.078 0.000 1.226 159 L HN 0.477 nan 8.230 nan 0.000 0.433 160 I N 2.697 123.372 120.570 0.174 0.000 2.465 160 I HA 0.612 4.781 4.170 -0.001 0.000 0.291 160 I C -1.078 175.206 176.117 0.278 0.000 1.014 160 I CA -0.370 61.069 61.300 0.231 0.000 1.093 160 I CB 1.861 40.002 38.000 0.235 0.000 1.267 160 I HN 0.200 nan 8.210 nan 0.000 0.431 161 V N 8.888 128.966 119.914 0.273 0.000 2.444 161 V HA 0.593 4.713 4.120 -0.001 0.000 0.294 161 V C -0.730 175.521 176.094 0.262 0.000 1.022 161 V CA -0.477 61.935 62.300 0.187 0.000 0.850 161 V CB 1.045 32.962 31.823 0.156 0.000 0.992 161 V HN 0.604 nan 8.190 nan 0.000 0.426 162 F N 5.067 125.067 119.950 0.083 0.000 2.613 162 F HA 0.954 5.481 4.527 -0.001 0.000 0.310 162 F C -3.035 172.807 175.800 0.071 0.000 1.085 162 F CA -2.584 55.465 58.000 0.081 0.000 0.945 162 F CB 1.881 40.924 39.000 0.072 0.000 1.298 162 F HN 0.300 nan 8.300 nan 0.000 0.455 163 P HA 0.191 nan 4.420 nan 0.000 0.281 163 P C -1.176 176.265 177.300 0.235 0.000 1.281 163 P CA -0.174 63.004 63.100 0.130 0.000 0.811 163 P CB 1.390 33.165 31.700 0.125 0.000 1.154 164 D N -0.686 119.827 120.400 0.189 0.000 2.400 164 D HA -0.049 4.591 4.640 -0.001 0.000 0.238 164 D C 1.422 177.865 176.300 0.238 0.000 1.157 164 D CA -0.345 53.796 54.000 0.235 0.000 0.889 164 D CB 0.323 41.313 40.800 0.317 0.000 1.199 164 D HN 0.104 nan 8.370 nan 0.000 0.436 165 L N 3.702 125.047 121.223 0.203 0.000 2.051 165 L HA -0.071 4.269 4.340 -0.001 0.000 0.214 165 L C 2.050 179.064 176.870 0.239 0.000 1.076 165 L CA 2.673 57.621 54.840 0.179 0.000 0.758 165 L CB -1.161 40.964 42.059 0.110 0.000 0.890 165 L HN 0.687 nan 8.230 nan 0.000 0.433 166 G N -1.301 107.701 108.800 0.337 0.000 2.440 166 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.218 166 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.218 166 G C 1.539 176.541 174.900 0.169 0.000 1.154 166 G CA 1.103 46.411 45.100 0.347 0.000 0.767 166 G HN 0.373 nan 8.290 nan 0.000 0.552 167 V N 0.243 120.253 119.914 0.160 0.000 2.427 167 V HA -0.092 4.028 4.120 -0.001 0.000 0.248 167 V C 2.873 179.042 176.094 0.125 0.000 1.051 167 V CA 1.857 64.224 62.300 0.110 0.000 1.048 167 V CB -0.405 31.476 31.823 0.097 0.000 0.666 167 V HN 0.274 nan 8.190 nan 0.000 0.456 168 R N -0.421 120.165 120.500 0.143 0.000 2.096 168 R HA -0.121 4.218 4.340 -0.001 0.000 0.235 168 R C 2.152 178.509 176.300 0.095 0.000 1.127 168 R CA 1.371 57.548 56.100 0.128 0.000 0.968 168 R CB -0.372 30.002 30.300 0.123 0.000 0.861 168 R HN 0.418 nan 8.270 nan 0.000 0.440 169 V N -0.576 119.389 119.914 0.085 0.000 2.453 169 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 169 V C 2.259 178.379 176.094 0.043 0.000 1.048 169 V CA 1.417 63.735 62.300 0.031 0.000 1.049 169 V CB -0.334 31.496 31.823 0.011 0.000 0.672 169 V HN 0.489 nan 8.190 nan 0.000 0.457 170 C N -0.174 119.194 119.300 0.114 0.000 2.435 170 C HA -0.123 4.336 4.460 -0.001 0.000 0.279 170 C C 2.687 177.843 174.990 0.276 0.000 1.321 170 C CA 0.814 59.984 59.018 0.252 0.000 1.752 170 C CB -0.893 27.038 27.740 0.317 0.000 1.959 170 C HN 0.607 nan 8.230 nan 0.000 0.500 171 E N 0.703 121.016 120.200 0.188 0.000 2.077 171 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 171 E C 2.171 178.879 176.600 0.179 0.000 0.989 171 E CA 1.153 57.672 56.400 0.199 0.000 0.800 171 E CB -0.055 29.769 29.700 0.206 0.000 0.746 171 E HN 0.626 nan 8.360 nan 0.000 0.452 172 K N 0.219 120.691 120.400 0.121 0.000 2.026 172 K HA -0.117 4.202 4.320 -0.001 0.000 0.208 172 K C 2.192 178.840 176.600 0.080 0.000 1.048 172 K CA 1.424 57.763 56.287 0.087 0.000 0.929 172 K CB -0.125 32.348 32.500 -0.045 0.000 0.713 172 K HN 0.120 nan 8.250 nan 0.000 0.439 173 M N 0.328 119.939 119.600 0.017 0.000 2.108 173 M HA -0.183 4.296 4.480 -0.001 0.000 0.261 173 M C 2.388 178.725 176.300 0.062 0.000 1.066 173 M CA 1.823 57.074 55.300 -0.082 0.000 1.107 173 M CB -0.344 32.020 32.600 -0.394 0.000 1.356 173 M HN 0.223 nan 8.290 nan 0.000 0.406 174 A N -0.698 122.272 122.820 0.250 0.000 2.021 174 A HA 0.146 4.465 4.320 -0.001 0.000 0.216 174 A C 1.739 179.415 177.584 0.152 0.000 1.163 174 A CA 0.903 53.119 52.037 0.299 0.000 0.676 174 A CB -0.041 19.183 19.000 0.374 0.000 0.818 174 A HN 0.496 nan 8.150 nan 0.000 0.453 175 L N -2.979 118.319 121.223 0.125 0.000 3.217 175 L HA 0.207 4.547 4.340 -0.001 0.000 0.288 175 L C 1.624 178.526 176.870 0.053 0.000 1.202 175 L CA -0.048 54.811 54.840 0.032 0.000 1.027 175 L CB 0.094 42.128 42.059 -0.042 0.000 1.427 175 L HN 0.391 nan 8.230 nan 0.000 0.600 176 Y N 1.584 121.891 120.300 0.012 0.000 2.128 176 Y HA -0.320 4.229 4.550 -0.001 0.000 0.284 176 Y C 2.202 178.129 175.900 0.045 0.000 1.154 176 Y CA 2.284 60.404 58.100 0.033 0.000 1.149 176 Y CB 0.090 38.550 38.460 0.001 0.000 0.976 176 Y HN 0.232 nan 8.280 nan 0.000 0.505 177 D N -0.746 119.662 120.400 0.013 0.000 2.144 177 D HA -0.160 4.479 4.640 -0.001 0.000 0.199 177 D C 2.216 178.445 176.300 -0.118 0.000 0.984 177 D CA 1.418 55.375 54.000 -0.071 0.000 0.834 177 D CB -0.197 40.618 40.800 0.024 0.000 0.955 177 D HN 0.261 nan 8.370 nan 0.000 0.465 178 V N 0.511 120.369 119.914 -0.094 0.000 2.237 178 V HA -0.229 3.890 4.120 -0.001 0.000 0.245 178 V C 2.702 178.696 176.094 -0.167 0.000 1.046 178 V CA 1.867 64.095 62.300 -0.120 0.000 1.007 178 V CB -0.825 30.903 31.823 -0.159 0.000 0.638 178 V HN 0.322 nan 8.190 nan 0.000 0.445 179 V N -2.218 117.579 119.914 -0.195 0.000 3.078 179 V HA -0.109 4.011 4.120 -0.001 0.000 0.265 179 V C 1.979 177.936 176.094 -0.229 0.000 1.122 179 V CA 2.110 64.293 62.300 -0.195 0.000 1.141 179 V CB -0.512 31.223 31.823 -0.147 0.000 0.735 179 V HN 0.457 nan 8.190 nan 0.000 0.498 180 S N 0.055 115.608 115.700 -0.245 0.000 2.478 180 S HA 0.037 4.507 4.470 -0.001 0.000 0.222 180 S C 1.812 176.312 174.600 -0.166 0.000 1.008 180 S CA 1.261 59.326 58.200 -0.225 0.000 0.928 180 S CB 0.143 63.137 63.200 -0.342 0.000 0.781 180 S HN 0.780 nan 8.310 nan 0.000 0.518 181 T N 1.244 115.697 114.554 -0.168 0.000 3.019 181 T HA 0.238 4.587 4.350 -0.001 0.000 0.247 181 T C 1.529 176.124 174.700 -0.173 0.000 0.992 181 T CA -0.151 61.865 62.100 -0.139 0.000 1.036 181 T CB -0.163 68.650 68.868 -0.093 0.000 1.063 181 T HN 0.102 nan 8.240 nan 0.000 0.476 182 L N 2.697 123.818 121.223 -0.170 0.000 1.989 182 L HA 0.015 4.355 4.340 -0.001 0.000 0.211 182 L C -1.096 175.612 176.870 -0.270 0.000 1.071 182 L CA 2.217 56.961 54.840 -0.160 0.000 0.749 182 L CB -1.233 40.783 42.059 -0.072 0.000 0.890 182 L HN 0.083 nan 8.230 nan 0.000 0.431 183 P HA -0.253 nan 4.420 nan 0.000 0.215 183 P C 1.501 178.377 177.300 -0.707 0.000 1.163 183 P CA 1.577 64.225 63.100 -0.754 0.000 0.894 183 P CB -0.216 30.602 31.700 -1.469 0.000 0.791 184 Q N -0.090 119.343 119.800 -0.612 0.000 2.170 184 Q HA -0.113 4.227 4.340 -0.001 0.000 0.203 184 Q C 1.934 177.807 176.000 -0.212 0.000 0.976 184 Q CA 1.472 57.099 55.803 -0.295 0.000 0.858 184 Q CB -0.683 27.969 28.738 -0.143 0.000 0.907 184 Q HN 0.095 nan 8.270 nan 0.000 0.433 185 V N -0.145 119.648 119.914 -0.202 0.000 2.379 185 V HA -0.182 3.937 4.120 -0.001 0.000 0.245 185 V C 2.478 178.484 176.094 -0.147 0.000 1.044 185 V CA 1.300 63.517 62.300 -0.139 0.000 1.036 185 V CB -0.350 31.408 31.823 -0.108 0.000 0.664 185 V HN 0.117 nan 8.190 nan 0.000 0.453 186 V N -0.582 119.213 119.914 -0.197 0.000 2.379 186 V HA -0.177 3.943 4.120 -0.001 0.000 0.245 186 V C 2.081 178.004 176.094 -0.285 0.000 1.044 186 V CA 2.071 64.251 62.300 -0.200 0.000 1.036 186 V CB -0.417 31.281 31.823 -0.209 0.000 0.664 186 V HN 0.462 nan 8.190 nan 0.000 0.453 187 M N -1.077 118.276 119.600 -0.411 0.000 2.441 187 M HA 0.355 4.835 4.480 -0.001 0.000 0.244 187 M C 1.408 177.558 176.300 -0.250 0.000 1.122 187 M CA 0.755 55.717 55.300 -0.564 0.000 1.041 187 M CB 0.297 32.435 32.600 -0.771 0.000 1.438 187 M HN 0.473 nan 8.290 nan 0.000 0.484 188 G N 1.572 110.270 108.800 -0.171 0.000 2.582 188 G HA2 -0.375 3.584 3.960 -0.001 0.000 0.288 188 G HA3 -0.375 3.584 3.960 -0.001 0.000 0.288 188 G C 0.747 175.581 174.900 -0.109 0.000 1.247 188 G CA 0.651 45.694 45.100 -0.095 0.000 0.972 188 G HN 0.533 nan 8.290 nan 0.000 0.557 189 S N -0.669 114.986 115.700 -0.075 0.000 2.537 189 S HA 0.049 4.519 4.470 -0.001 0.000 0.240 189 S C 2.122 176.523 174.600 -0.331 0.000 0.981 189 S CA 1.986 60.070 58.200 -0.193 0.000 0.948 189 S CB -0.102 63.070 63.200 -0.046 0.000 0.759 189 S HN 1.061 nan 8.310 nan 0.000 0.531 190 S N 0.097 115.739 115.700 -0.097 0.000 2.527 190 S HA 0.144 4.614 4.470 -0.001 0.000 0.222 190 S C 0.209 174.773 174.600 -0.059 0.000 0.985 190 S CA -0.232 57.970 58.200 0.004 0.000 0.921 190 S CB -0.369 62.942 63.200 0.185 0.000 0.772 190 S HN 0.699 nan 8.310 nan 0.000 0.529 191 Y N 3.255 123.379 120.300 -0.294 0.000 2.584 191 Y HA 0.427 4.977 4.550 -0.001 0.000 0.351 191 Y C 1.308 176.957 175.900 -0.419 0.000 1.030 191 Y CA -1.363 56.544 58.100 -0.323 0.000 1.332 191 Y CB -0.121 38.154 38.460 -0.308 0.000 1.148 191 Y HN 0.080 nan 8.280 nan 0.000 0.528 192 G N 4.852 113.213 108.800 -0.733 0.000 2.440 192 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.218 192 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.218 192 G C 1.301 175.655 174.900 -0.910 0.000 1.154 192 G CA 0.401 45.067 45.100 -0.723 0.000 0.767 192 G HN 0.727 nan 8.290 nan 0.000 0.552 193 F N 1.508 120.761 119.950 -1.162 0.000 2.583 193 F HA -0.040 4.487 4.527 -0.001 0.000 0.297 193 F C 2.879 178.416 175.800 -0.438 0.000 1.131 193 F CA 1.115 58.532 58.000 -0.971 0.000 1.467 193 F CB 0.054 38.469 39.000 -0.975 0.000 1.097 193 F HN 0.344 nan 8.300 nan 0.000 0.586 194 Q N -0.462 119.072 119.800 -0.444 0.000 2.451 194 Q HA -0.001 4.338 4.340 -0.001 0.000 0.206 194 Q C -0.521 175.353 176.000 -0.211 0.000 0.947 194 Q CA 0.439 56.094 55.803 -0.247 0.000 0.937 194 Q CB -0.237 28.267 28.738 -0.390 0.000 1.025 194 Q HN 0.417 nan 8.270 nan 0.000 0.511 195 Y N 1.357 121.651 120.300 -0.011 0.000 2.420 195 Y HA 0.360 4.910 4.550 -0.001 0.000 0.334 195 Y C 0.578 176.319 175.900 -0.265 0.000 1.094 195 Y CA -1.198 56.848 58.100 -0.090 0.000 1.126 195 Y CB 1.579 39.950 38.460 -0.148 0.000 1.217 195 Y HN 0.061 nan 8.280 nan 0.000 0.462 196 S N 1.217 116.708 115.700 -0.349 0.000 2.669 196 S HA 0.280 4.749 4.470 -0.001 0.000 0.270 196 S C -2.181 172.110 174.600 -0.515 0.000 1.225 196 S CA -1.243 56.281 58.200 -1.127 0.000 0.991 196 S CB 1.458 64.189 63.200 -0.783 0.000 0.987 196 S HN 0.416 nan 8.310 nan 0.000 0.552 197 P HA -0.006 nan 4.420 nan 0.000 0.216 197 P C 1.629 178.860 177.300 -0.115 0.000 1.150 197 P CA 1.656 64.632 63.100 -0.207 0.000 0.843 197 P CB -0.437 31.191 31.700 -0.121 0.000 0.787 198 G N -0.473 108.252 108.800 -0.125 0.000 2.408 198 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.217 198 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.217 198 G C 1.468 176.317 174.900 -0.084 0.000 1.150 198 G CA 0.436 45.507 45.100 -0.048 0.000 0.776 198 G HN 0.311 nan 8.290 nan 0.000 0.542 199 Q N -0.432 119.298 119.800 -0.117 0.000 2.172 199 Q HA 0.040 4.379 4.340 -0.001 0.000 0.200 199 Q C 2.559 178.373 176.000 -0.309 0.000 0.964 199 Q CA 0.673 56.399 55.803 -0.128 0.000 0.855 199 Q CB -0.108 28.640 28.738 0.016 0.000 0.918 199 Q HN 0.423 nan 8.270 nan 0.000 0.444 200 R N 0.603 120.957 120.500 -0.244 0.000 2.073 200 R HA -0.139 4.201 4.340 -0.001 0.000 0.234 200 R C 2.143 178.329 176.300 -0.189 0.000 1.134 200 R CA 1.301 57.240 56.100 -0.269 0.000 0.952 200 R CB -0.214 30.030 30.300 -0.093 0.000 0.850 200 R HN 0.097 nan 8.270 nan 0.000 0.433 201 V N 1.491 121.325 119.914 -0.134 0.000 2.287 201 V HA -0.273 3.846 4.120 -0.001 0.000 0.248 201 V C 2.392 178.389 176.094 -0.162 0.000 1.053 201 V CA 2.329 64.555 62.300 -0.124 0.000 1.027 201 V CB -0.622 31.167 31.823 -0.057 0.000 0.646 201 V HN 0.517 nan 8.190 nan 0.000 0.447 202 E N -0.529 119.590 120.200 -0.135 0.000 2.118 202 E HA -0.287 4.062 4.350 -0.001 0.000 0.195 202 E C 2.092 178.606 176.600 -0.144 0.000 0.992 202 E CA 1.788 58.113 56.400 -0.124 0.000 0.804 202 E CB -0.223 29.429 29.700 -0.080 0.000 0.741 202 E HN 0.634 nan 8.360 nan 0.000 0.458 203 F N 0.702 120.443 119.950 -0.350 0.000 2.206 203 F HA -0.055 4.472 4.527 -0.001 0.000 0.298 203 F C 1.841 177.507 175.800 -0.224 0.000 1.090 203 F CA 0.846 58.638 58.000 -0.346 0.000 1.323 203 F CB 0.078 38.678 39.000 -0.667 0.000 1.028 203 F HN -0.011 nan 8.300 nan 0.000 0.492 204 L N -0.597 120.442 121.223 -0.307 0.000 2.027 204 L HA -0.194 4.145 4.340 -0.001 0.000 0.206 204 L C 2.366 179.060 176.870 -0.294 0.000 1.074 204 L CA 0.915 55.568 54.840 -0.312 0.000 0.745 204 L CB -0.756 41.185 42.059 -0.198 0.000 0.898 204 L HN 0.004 nan 8.230 nan 0.000 0.433 205 V N 0.175 119.903 119.914 -0.310 0.000 2.295 205 V HA -0.270 3.849 4.120 -0.001 0.000 0.246 205 V C 2.171 178.146 176.094 -0.198 0.000 1.049 205 V CA 1.854 63.958 62.300 -0.326 0.000 1.024 205 V CB -0.660 30.880 31.823 -0.472 0.000 0.648 205 V HN 0.496 nan 8.190 nan 0.000 0.447 206 N N -0.141 118.429 118.700 -0.216 0.000 2.244 206 N HA -0.109 4.630 4.740 -0.001 0.000 0.183 206 N C 1.890 177.284 175.510 -0.194 0.000 1.016 206 N CA 1.714 54.665 53.050 -0.164 0.000 0.866 206 N CB -0.496 37.912 38.487 -0.132 0.000 0.980 206 N HN 0.455 nan 8.380 nan 0.000 0.430 207 T N 0.563 114.913 114.554 -0.341 0.000 2.737 207 T HA -0.129 4.220 4.350 -0.001 0.000 0.265 207 T C 1.484 176.088 174.700 -0.160 0.000 1.038 207 T CA 0.581 62.474 62.100 -0.346 0.000 1.144 207 T CB -0.192 68.317 68.868 -0.599 0.000 0.866 207 T HN 0.418 nan 8.240 nan 0.000 0.434 208 W N 2.451 123.582 121.300 -0.282 0.000 2.338 208 W HA -0.111 4.549 4.660 -0.001 0.000 0.304 208 W C 1.826 178.255 176.519 -0.150 0.000 1.212 208 W CA 1.263 58.487 57.345 -0.202 0.000 1.264 208 W CB -0.200 29.134 29.460 -0.211 0.000 1.142 208 W HN 0.270 nan 8.180 nan 0.000 0.512 209 K N 0.266 120.694 120.400 0.047 0.000 2.097 209 K HA -0.143 4.176 4.320 -0.001 0.000 0.205 209 K C 2.150 178.702 176.600 -0.080 0.000 1.050 209 K CA 1.773 58.056 56.287 -0.007 0.000 0.938 209 K CB -0.520 31.983 32.500 0.005 0.000 0.718 209 K HN 0.067 nan 8.250 nan 0.000 0.442 210 S N 0.897 116.537 115.700 -0.100 0.000 2.537 210 S HA -0.052 4.417 4.470 -0.001 0.000 0.240 210 S C 0.496 175.024 174.600 -0.119 0.000 0.981 210 S CA 0.622 58.764 58.200 -0.097 0.000 0.948 210 S CB -0.072 63.069 63.200 -0.097 0.000 0.759 210 S HN -0.007 nan 8.310 nan 0.000 0.531 211 K N 1.560 121.852 120.400 -0.180 0.000 2.156 211 K HA 0.390 4.709 4.320 -0.001 0.000 0.271 211 K C 0.521 177.013 176.600 -0.180 0.000 0.995 211 K CA -0.470 55.696 56.287 -0.202 0.000 0.890 211 K CB 1.331 33.646 32.500 -0.308 0.000 1.073 211 K HN 0.121 nan 8.250 nan 0.000 0.454 212 K N 1.002 121.325 120.400 -0.128 0.000 2.026 212 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 212 K C 0.620 177.156 176.600 -0.108 0.000 1.048 212 K CA 1.275 57.505 56.287 -0.095 0.000 0.929 212 K CB 0.096 32.556 32.500 -0.066 0.000 0.713 212 K HN 0.550 nan 8.250 nan 0.000 0.439 213 N N 0.702 119.323 118.700 -0.131 0.000 2.750 213 N HA 0.161 4.901 4.740 -0.001 0.000 0.253 213 N C -2.853 172.535 175.510 -0.204 0.000 1.408 213 N CA -1.702 51.277 53.050 -0.119 0.000 0.780 213 N CB 1.114 39.569 38.487 -0.054 0.000 1.191 213 N HN -0.136 nan 8.380 nan 0.000 0.511 214 P HA -0.007 nan 4.420 nan 0.000 0.266 214 P C -0.814 176.085 177.300 -0.667 0.000 1.193 214 P CA 0.133 62.738 63.100 -0.825 0.000 0.770 214 P CB 1.002 31.633 31.700 -1.782 0.000 0.836 215 M N 1.830 121.039 119.600 -0.651 0.000 2.365 215 M HA 0.564 5.043 4.480 -0.001 0.000 0.288 215 M C -1.520 174.638 176.300 -0.237 0.000 1.152 215 M CA -0.164 54.854 55.300 -0.469 0.000 0.948 215 M CB 2.212 34.602 32.600 -0.350 0.000 1.729 215 M HN 0.620 nan 8.290 nan 0.000 0.487 216 G N 3.494 112.279 108.800 -0.025 0.000 2.672 216 G HA2 0.880 4.840 3.960 -0.001 0.000 0.292 216 G HA3 0.880 4.840 3.960 -0.001 0.000 0.292 216 G C -2.050 172.952 174.900 0.170 0.000 1.375 216 G CA -0.627 44.531 45.100 0.097 0.000 0.890 216 G HN 0.879 nan 8.290 nan 0.000 0.476 217 F N -0.742 119.171 119.950 -0.063 0.000 2.678 217 F HA 0.779 5.306 4.527 -0.001 0.000 0.308 217 F C -0.288 175.504 175.800 -0.013 0.000 1.118 217 F CA -1.478 56.490 58.000 -0.054 0.000 0.959 217 F CB 1.271 40.219 39.000 -0.087 0.000 1.305 217 F HN 0.656 nan 8.300 nan 0.000 0.443 218 S N 1.155 116.921 115.700 0.111 0.000 2.565 218 S HA 0.670 5.140 4.470 -0.001 0.000 0.290 218 S C -1.589 173.163 174.600 0.254 0.000 1.150 218 S CA -0.594 57.643 58.200 0.062 0.000 1.058 218 S CB 1.699 64.927 63.200 0.047 0.000 1.032 218 S HN 0.876 nan 8.310 nan 0.000 0.510 219 Y N 1.500 121.884 120.300 0.141 0.000 2.326 219 Y HA 0.453 5.002 4.550 -0.001 0.000 0.331 219 Y C -1.142 174.879 175.900 0.202 0.000 0.962 219 Y CA -0.784 57.473 58.100 0.262 0.000 1.167 219 Y CB 1.392 40.106 38.460 0.423 0.000 1.148 219 Y HN 0.894 nan 8.280 nan 0.000 0.463 220 D N 4.440 124.693 120.400 -0.245 0.000 2.392 220 D HA 0.201 4.840 4.640 -0.001 0.000 0.228 220 D C -0.519 175.673 176.300 -0.181 0.000 1.074 220 D CA -0.250 53.691 54.000 -0.098 0.000 0.838 220 D CB 1.090 41.859 40.800 -0.053 0.000 1.067 220 D HN 0.500 nan 8.370 nan 0.000 0.511 221 T N 2.190 116.809 114.554 0.108 0.000 2.889 221 T HA 0.253 4.602 4.350 -0.001 0.000 0.291 221 T C 0.243 175.045 174.700 0.169 0.000 0.995 221 T CA -0.945 61.268 62.100 0.187 0.000 1.092 221 T CB 0.854 69.992 68.868 0.449 0.000 0.954 221 T HN 0.443 nan 8.240 nan 0.000 0.506 222 R N 3.377 123.935 120.500 0.097 0.000 2.449 222 R HA 0.190 4.530 4.340 -0.001 0.000 0.296 222 R C -0.042 176.366 176.300 0.180 0.000 1.047 222 R CA -0.211 55.942 56.100 0.087 0.000 1.018 222 R CB -0.880 29.416 30.300 -0.007 0.000 0.962 222 R HN 0.989 nan 8.270 nan 0.000 0.428 223 C N 5.923 125.355 119.300 0.221 0.000 2.977 223 C HA -0.168 4.292 4.460 -0.001 0.000 0.252 223 C C 1.370 176.571 174.990 0.352 0.000 1.310 223 C CA 0.116 59.314 59.018 0.300 0.000 2.393 223 C CB -2.925 25.039 27.740 0.373 0.000 1.512 223 C HN 0.995 nan 8.230 nan 0.000 0.453 224 F N 1.964 122.034 119.950 0.200 0.000 2.091 224 F HA -0.174 4.353 4.527 -0.001 0.000 0.299 224 F C 1.936 177.847 175.800 0.185 0.000 1.103 224 F CA 2.433 60.550 58.000 0.195 0.000 1.228 224 F CB -0.037 39.066 39.000 0.173 0.000 0.984 224 F HN 0.485 nan 8.300 nan 0.000 0.477 225 D N -0.432 120.248 120.400 0.466 0.000 2.133 225 D HA -0.170 4.469 4.640 -0.001 0.000 0.195 225 D C 2.440 178.836 176.300 0.160 0.000 0.997 225 D CA 1.730 55.926 54.000 0.326 0.000 0.840 225 D CB -0.552 40.420 40.800 0.287 0.000 0.947 225 D HN 0.252 nan 8.370 nan 0.000 0.452 226 S N -0.553 115.250 115.700 0.171 0.000 2.453 226 S HA -0.089 4.380 4.470 -0.001 0.000 0.231 226 S C 1.991 176.551 174.600 -0.068 0.000 1.005 226 S CA 1.295 59.495 58.200 0.001 0.000 0.949 226 S CB -0.158 63.047 63.200 0.009 0.000 0.774 226 S HN 0.520 nan 8.310 nan 0.000 0.510 227 T N -0.574 114.028 114.554 0.080 0.000 3.088 227 T HA 0.143 4.493 4.350 -0.001 0.000 0.259 227 T C 0.592 175.231 174.700 -0.103 0.000 1.122 227 T CA -0.010 62.124 62.100 0.057 0.000 1.095 227 T CB -0.380 68.493 68.868 0.007 0.000 0.930 227 T HN 0.027 nan 8.240 nan 0.000 0.508 228 V N 4.130 123.962 119.914 -0.137 0.000 2.446 228 V HA 0.298 4.418 4.120 -0.001 0.000 0.276 228 V C 1.216 177.268 176.094 -0.071 0.000 1.030 228 V CA -0.158 62.082 62.300 -0.099 0.000 1.033 228 V CB -0.033 31.787 31.823 -0.004 0.000 0.993 228 V HN 0.728 nan 8.190 nan 0.000 0.477 229 T N 0.976 115.497 114.554 -0.054 0.000 2.849 229 T HA 0.296 4.645 4.350 -0.001 0.000 0.276 229 T C 1.055 175.738 174.700 -0.028 0.000 0.971 229 T CA -0.214 61.856 62.100 -0.049 0.000 0.949 229 T CB 1.379 70.223 68.868 -0.040 0.000 1.093 229 T HN 0.667 nan 8.240 nan 0.000 0.545 230 E N 0.233 120.417 120.200 -0.027 0.000 2.077 230 E HA -0.239 4.110 4.350 -0.001 0.000 0.193 230 E C 2.049 178.651 176.600 0.003 0.000 0.989 230 E CA 1.105 57.501 56.400 -0.008 0.000 0.800 230 E CB -0.164 29.531 29.700 -0.008 0.000 0.746 230 E HN 0.711 nan 8.360 nan 0.000 0.452 231 N N 0.920 119.618 118.700 -0.004 0.000 2.069 231 N HA -0.213 4.526 4.740 -0.001 0.000 0.191 231 N C 1.248 176.773 175.510 0.025 0.000 1.031 231 N CA 1.909 54.963 53.050 0.007 0.000 0.852 231 N CB -0.285 38.196 38.487 -0.010 0.000 1.018 231 N HN 0.134 nan 8.380 nan 0.000 0.423 232 D N 1.005 121.419 120.400 0.024 0.000 2.116 232 D HA -0.120 4.519 4.640 -0.001 0.000 0.193 232 D C 2.099 178.413 176.300 0.023 0.000 0.998 232 D CA 0.958 54.983 54.000 0.042 0.000 0.836 232 D CB -0.371 40.448 40.800 0.032 0.000 0.951 232 D HN 0.468 nan 8.370 nan 0.000 0.449 233 I N 0.329 120.913 120.570 0.024 0.000 2.394 233 I HA -0.171 3.999 4.170 -0.001 0.000 0.251 233 I C 2.385 178.515 176.117 0.022 0.000 1.136 233 I CA 0.806 62.126 61.300 0.034 0.000 1.425 233 I CB -0.105 37.934 38.000 0.066 0.000 1.079 233 I HN -0.092 nan 8.210 nan 0.000 0.425 234 R N 0.014 120.525 120.500 0.018 0.000 2.119 234 R HA -0.026 4.313 4.340 -0.001 0.000 0.222 234 R C 2.312 178.595 176.300 -0.028 0.000 1.088 234 R CA 0.711 56.817 56.100 0.010 0.000 0.984 234 R CB -0.138 30.172 30.300 0.016 0.000 0.884 234 R HN 0.188 nan 8.270 nan 0.000 0.447 235 V N 1.352 121.248 119.914 -0.030 0.000 2.427 235 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 235 V C 1.842 177.839 176.094 -0.162 0.000 1.051 235 V CA 1.715 63.979 62.300 -0.060 0.000 1.048 235 V CB -0.274 31.544 31.823 -0.008 0.000 0.666 235 V HN 0.327 nan 8.190 nan 0.000 0.456 236 E N -0.333 119.745 120.200 -0.203 0.000 2.077 236 E HA -0.261 4.088 4.350 -0.001 0.000 0.193 236 E C 2.298 178.418 176.600 -0.799 0.000 0.989 236 E CA 1.359 57.479 56.400 -0.466 0.000 0.800 236 E CB -0.128 29.370 29.700 -0.337 0.000 0.746 236 E HN 0.590 nan 8.360 nan 0.000 0.452 237 E N 0.599 120.586 120.200 -0.355 0.000 2.106 237 E HA -0.165 4.184 4.350 -0.001 0.000 0.192 237 E C 2.152 178.692 176.600 -0.100 0.000 0.984 237 E CA 1.359 57.684 56.400 -0.125 0.000 0.806 237 E CB 0.069 29.819 29.700 0.082 0.000 0.750 237 E HN 0.221 nan 8.360 nan 0.000 0.458 238 S N 0.322 115.955 115.700 -0.111 0.000 2.399 238 S HA -0.125 4.345 4.470 -0.001 0.000 0.231 238 S C 2.062 176.610 174.600 -0.087 0.000 1.022 238 S CA 0.809 58.969 58.200 -0.066 0.000 0.983 238 S CB -0.482 62.684 63.200 -0.056 0.000 0.803 238 S HN 0.260 nan 8.310 nan 0.000 0.480 239 I N 0.100 120.558 120.570 -0.186 0.000 2.233 239 I HA -0.116 4.053 4.170 -0.001 0.000 0.243 239 I C 2.324 178.411 176.117 -0.050 0.000 1.093 239 I CA 1.268 62.472 61.300 -0.159 0.000 1.380 239 I CB -0.516 37.338 38.000 -0.243 0.000 1.067 239 I HN 0.211 nan 8.210 nan 0.000 0.413 240 Y N 1.078 121.370 120.300 -0.015 0.000 2.165 240 Y HA -0.237 4.313 4.550 -0.001 0.000 0.286 240 Y C 2.668 178.568 175.900 0.000 0.000 1.155 240 Y CA 0.709 58.804 58.100 -0.009 0.000 1.164 240 Y CB -1.116 37.351 38.460 0.011 0.000 0.978 240 Y HN 0.219 nan 8.280 nan 0.000 0.513 241 Q N -1.074 118.819 119.800 0.156 0.000 2.364 241 Q HA -0.144 4.195 4.340 -0.001 0.000 0.209 241 Q C 2.298 178.330 176.000 0.053 0.000 0.977 241 Q CA 1.014 56.872 55.803 0.091 0.000 0.885 241 Q CB -0.875 27.901 28.738 0.063 0.000 0.941 241 Q HN 0.526 nan 8.270 nan 0.000 0.464 242 C N 0.021 119.344 119.300 0.038 0.000 2.448 242 C HA -0.011 4.448 4.460 -0.001 0.000 0.280 242 C C 1.547 176.550 174.990 0.022 0.000 1.398 242 C CA -0.764 58.264 59.018 0.017 0.000 1.774 242 C CB -0.693 27.046 27.740 -0.002 0.000 1.888 242 C HN 0.406 nan 8.230 nan 0.000 0.519 243 C N 1.771 121.094 119.300 0.038 0.000 2.700 243 C HA 0.101 4.560 4.460 -0.001 0.000 0.397 243 C C 0.644 175.650 174.990 0.027 0.000 1.301 243 C CA -0.229 58.807 59.018 0.030 0.000 2.219 243 C CB -0.176 27.587 27.740 0.039 0.000 2.699 243 C HN 0.493 nan 8.230 nan 0.000 0.669 244 D N 1.757 122.168 120.400 0.019 0.000 2.374 244 D HA 0.361 5.000 4.640 -0.001 0.000 0.240 244 D C -0.709 175.606 176.300 0.026 0.000 1.229 244 D CA 0.088 54.100 54.000 0.019 0.000 0.895 244 D CB 0.073 40.881 40.800 0.013 0.000 1.046 244 D HN 0.180 nan 8.370 nan 0.000 0.498 245 L N 2.209 123.451 121.223 0.033 0.000 2.323 245 L HA 0.607 4.946 4.340 -0.001 0.000 0.265 245 L C 0.199 177.095 176.870 0.045 0.000 1.012 245 L CA -1.225 53.640 54.840 0.042 0.000 0.820 245 L CB 1.498 43.589 42.059 0.053 0.000 1.334 245 L HN 0.393 nan 8.230 nan 0.000 0.427 246 A N 2.391 125.244 122.820 0.055 0.000 2.440 246 A HA 0.505 4.825 4.320 -0.001 0.000 0.251 246 A C -1.716 175.907 177.584 0.066 0.000 1.089 246 A CA -0.800 51.272 52.037 0.059 0.000 0.779 246 A CB -0.234 18.808 19.000 0.070 0.000 1.022 246 A HN 0.721 nan 8.150 nan 0.000 0.492 247 P HA -0.215 nan 4.420 nan 0.000 0.217 247 P C 1.244 178.577 177.300 0.056 0.000 1.148 247 P CA 1.727 64.854 63.100 0.046 0.000 0.834 247 P CB 0.285 32.007 31.700 0.037 0.000 0.783 248 E N -0.827 119.429 120.200 0.092 0.000 2.106 248 E HA -0.143 4.207 4.350 -0.001 0.000 0.192 248 E C 1.942 178.630 176.600 0.148 0.000 0.984 248 E CA 0.964 57.445 56.400 0.134 0.000 0.806 248 E CB -0.370 29.475 29.700 0.243 0.000 0.750 248 E HN 0.101 nan 8.360 nan 0.000 0.458 249 A N 1.053 123.974 122.820 0.169 0.000 1.929 249 A HA -0.125 4.194 4.320 -0.001 0.000 0.216 249 A C 2.058 179.692 177.584 0.083 0.000 1.176 249 A CA 0.964 53.104 52.037 0.171 0.000 0.628 249 A CB -0.287 18.804 19.000 0.152 0.000 0.816 249 A HN 0.128 nan 8.150 nan 0.000 0.444 250 R N -1.003 119.533 120.500 0.060 0.000 2.073 250 R HA -0.178 4.162 4.340 -0.001 0.000 0.234 250 R C 2.480 178.784 176.300 0.007 0.000 1.134 250 R CA 1.675 57.800 56.100 0.042 0.000 0.952 250 R CB -0.305 30.016 30.300 0.036 0.000 0.850 250 R HN 0.599 nan 8.270 nan 0.000 0.433 251 Q N 0.832 120.617 119.800 -0.024 0.000 2.050 251 Q HA -0.101 4.238 4.340 -0.001 0.000 0.202 251 Q C 1.955 177.869 176.000 -0.143 0.000 0.980 251 Q CA 2.080 57.837 55.803 -0.077 0.000 0.840 251 Q CB -0.280 28.401 28.738 -0.096 0.000 0.898 251 Q HN 0.340 nan 8.270 nan 0.000 0.424 252 A N 0.158 122.855 122.820 -0.205 0.000 1.902 252 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 252 A C 2.152 179.654 177.584 -0.137 0.000 1.181 252 A CA 1.572 53.415 52.037 -0.323 0.000 0.623 252 A CB -0.769 17.944 19.000 -0.479 0.000 0.818 252 A HN 0.486 nan 8.150 nan 0.000 0.443 253 I N -0.616 119.941 120.570 -0.021 0.000 2.394 253 I HA -0.237 3.932 4.170 -0.001 0.000 0.251 253 I C 2.517 178.675 176.117 0.068 0.000 1.136 253 I CA 1.773 63.114 61.300 0.067 0.000 1.425 253 I CB -0.198 37.870 38.000 0.114 0.000 1.079 253 I HN 0.420 nan 8.210 nan 0.000 0.425 254 K N 0.504 120.916 120.400 0.020 0.000 2.057 254 K HA -0.171 4.148 4.320 -0.001 0.000 0.206 254 K C 2.343 178.925 176.600 -0.030 0.000 1.050 254 K CA 1.614 57.910 56.287 0.014 0.000 0.935 254 K CB -0.058 32.439 32.500 -0.004 0.000 0.715 254 K HN 0.066 nan 8.250 nan 0.000 0.439 255 S N 0.716 116.365 115.700 -0.085 0.000 2.348 255 S HA -0.073 4.397 4.470 -0.001 0.000 0.221 255 S C 1.929 176.434 174.600 -0.158 0.000 1.033 255 S CA 1.143 59.268 58.200 -0.125 0.000 1.010 255 S CB -0.291 62.801 63.200 -0.180 0.000 0.891 255 S HN 0.356 nan 8.310 nan 0.000 0.442 256 L N 0.747 121.846 121.223 -0.207 0.000 2.079 256 L HA -0.126 4.214 4.340 -0.001 0.000 0.210 256 L C 2.744 179.322 176.870 -0.486 0.000 1.081 256 L CA 1.562 56.158 54.840 -0.407 0.000 0.752 256 L CB -1.021 40.765 42.059 -0.455 0.000 0.896 256 L HN 0.354 nan 8.230 nan 0.000 0.433 257 T N -0.951 113.523 114.554 -0.133 0.000 2.674 257 T HA -0.163 4.186 4.350 -0.001 0.000 0.265 257 T C 1.797 176.510 174.700 0.021 0.000 1.039 257 T CA 1.261 63.421 62.100 0.099 0.000 1.150 257 T CB -0.104 68.882 68.868 0.197 0.000 0.864 257 T HN 0.312 nan 8.240 nan 0.000 0.427 258 E N 1.091 121.282 120.200 -0.015 0.000 2.072 258 E HA -0.053 4.296 4.350 -0.001 0.000 0.191 258 E C 2.394 178.974 176.600 -0.033 0.000 0.985 258 E CA 0.984 57.376 56.400 -0.013 0.000 0.801 258 E CB -0.149 29.539 29.700 -0.019 0.000 0.750 258 E HN 0.483 nan 8.360 nan 0.000 0.452 259 R N -0.412 120.040 120.500 -0.080 0.000 2.173 259 R HA 0.081 4.421 4.340 -0.001 0.000 0.208 259 R C 1.948 178.184 176.300 -0.107 0.000 1.035 259 R CA 0.420 56.471 56.100 -0.082 0.000 1.004 259 R CB 0.190 30.433 30.300 -0.096 0.000 0.917 259 R HN 0.052 nan 8.270 nan 0.000 0.462 260 L N -2.121 118.992 121.223 -0.183 0.000 2.664 260 L HA 0.188 4.528 4.340 -0.001 0.000 0.198 260 L C 1.310 178.150 176.870 -0.049 0.000 1.057 260 L CA 0.716 55.447 54.840 -0.181 0.000 0.871 260 L CB -0.167 41.703 42.059 -0.315 0.000 1.364 260 L HN -0.138 nan 8.230 nan 0.000 0.483 261 Y N -0.048 120.263 120.300 0.017 0.000 2.200 261 Y HA -0.090 4.460 4.550 -0.001 0.000 0.290 261 Y C 2.457 178.358 175.900 0.002 0.000 1.137 261 Y CA 1.127 59.245 58.100 0.030 0.000 1.163 261 Y CB -0.892 37.611 38.460 0.073 0.000 0.988 261 Y HN 0.126 nan 8.280 nan 0.000 0.518 262 I N -1.027 119.624 120.570 0.136 0.000 2.286 262 I HA 0.004 4.174 4.170 -0.001 0.000 0.248 262 I C 1.357 177.466 176.117 -0.013 0.000 1.115 262 I CA 1.524 62.859 61.300 0.058 0.000 1.392 262 I CB -0.736 37.291 38.000 0.046 0.000 1.065 262 I HN 0.258 nan 8.210 nan 0.000 0.418 263 G N -2.040 106.725 108.800 -0.058 0.000 2.324 263 G HA2 0.520 4.479 3.960 -0.001 0.000 0.293 263 G HA3 0.520 4.479 3.960 -0.001 0.000 0.293 263 G C -0.766 173.934 174.900 -0.334 0.000 1.297 263 G CA -0.212 44.760 45.100 -0.213 0.000 0.853 263 G HN 0.543 nan 8.290 nan 0.000 0.535 264 G N -0.989 107.324 108.800 -0.812 0.000 2.321 264 G HA2 0.703 4.662 3.960 -0.001 0.000 0.298 264 G HA3 0.703 4.662 3.960 -0.001 0.000 0.298 264 G C -3.457 170.879 174.900 -0.940 0.000 1.385 264 G CA 0.129 44.763 45.100 -0.777 0.000 0.856 264 G HN 0.797 nan 8.290 nan 0.000 0.584 265 P HA 0.431 nan 4.420 nan 0.000 0.271 265 P C -0.539 176.720 177.300 -0.068 0.000 1.218 265 P CA -0.124 62.961 63.100 -0.025 0.000 0.780 265 P CB 1.205 32.988 31.700 0.138 0.000 0.901 266 L N 2.325 123.545 121.223 -0.005 0.000 2.313 266 L HA 0.446 4.786 4.340 -0.001 0.000 0.283 266 L C 0.497 177.391 176.870 0.040 0.000 1.013 266 L CA -0.249 54.602 54.840 0.017 0.000 0.816 266 L CB 1.596 43.707 42.059 0.086 0.000 1.236 266 L HN 0.278 nan 8.230 nan 0.000 0.419 267 T N 1.440 115.991 114.554 -0.004 0.000 2.829 267 T HA 0.339 4.688 4.350 -0.001 0.000 0.280 267 T C -0.194 174.493 174.700 -0.022 0.000 0.999 267 T CA -0.827 61.268 62.100 -0.008 0.000 0.983 267 T CB 1.504 70.352 68.868 -0.034 0.000 0.968 267 T HN 0.650 nan 8.240 nan 0.000 0.446 268 N N 0.630 119.331 118.700 0.002 0.000 2.364 268 N HA 0.147 4.886 4.740 -0.001 0.000 0.264 268 N C 1.453 176.953 175.510 -0.016 0.000 1.263 268 N CA -0.316 52.734 53.050 -0.001 0.000 0.959 268 N CB 0.183 38.679 38.487 0.015 0.000 1.204 268 N HN 0.445 nan 8.380 nan 0.000 0.550 269 S N -1.089 114.609 115.700 -0.003 0.000 2.442 269 S HA -0.117 4.353 4.470 -0.001 0.000 0.236 269 S C 1.026 175.621 174.600 -0.008 0.000 1.007 269 S CA 0.577 58.777 58.200 0.000 0.000 0.965 269 S CB -0.362 62.851 63.200 0.022 0.000 0.773 269 S HN 0.554 nan 8.310 nan 0.000 0.504 270 K N 0.739 121.135 120.400 -0.006 0.000 2.426 270 K HA 0.225 4.545 4.320 -0.001 0.000 0.193 270 K C 1.485 178.077 176.600 -0.014 0.000 1.028 270 K CA 0.678 56.960 56.287 -0.008 0.000 1.047 270 K CB -0.325 32.174 32.500 -0.001 0.000 0.821 270 K HN 0.624 nan 8.250 nan 0.000 0.513 271 G N 1.816 110.606 108.800 -0.018 0.000 2.157 271 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.239 271 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.239 271 G C -0.199 174.697 174.900 -0.007 0.000 0.982 271 G CA -0.139 44.948 45.100 -0.023 0.000 0.650 271 G HN 0.381 nan 8.290 nan 0.000 0.527 272 Q N 0.155 119.957 119.800 0.004 0.000 2.259 272 Q HA 0.413 4.753 4.340 -0.001 0.000 0.246 272 Q C 0.104 176.123 176.000 0.032 0.000 0.920 272 Q CA -0.771 55.043 55.803 0.018 0.000 0.895 272 Q CB 0.902 29.653 28.738 0.022 0.000 1.220 272 Q HN 0.193 nan 8.270 nan 0.000 0.439 273 N N 1.038 119.764 118.700 0.043 0.000 2.442 273 N HA 0.013 4.752 4.740 -0.001 0.000 0.265 273 N C -0.420 175.147 175.510 0.095 0.000 1.138 273 N CA -0.017 53.071 53.050 0.063 0.000 0.956 273 N CB 0.711 39.236 38.487 0.062 0.000 1.067 273 N HN 0.624 nan 8.380 nan 0.000 0.474 274 C N 2.262 121.640 119.300 0.130 0.000 2.735 274 C HA 0.476 4.936 4.460 -0.001 0.000 0.271 274 C C 1.300 176.473 174.990 0.304 0.000 1.281 274 C CA 0.525 59.674 59.018 0.218 0.000 1.719 274 C CB -1.067 26.827 27.740 0.255 0.000 2.024 274 C HN 0.898 nan 8.230 nan 0.000 0.566 275 G N -1.135 107.775 108.800 0.184 0.000 2.334 275 G HA2 0.255 4.215 3.960 -0.001 0.000 0.249 275 G HA3 0.255 4.215 3.960 -0.001 0.000 0.249 275 G C -2.085 172.872 174.900 0.095 0.000 1.327 275 G CA -0.440 44.726 45.100 0.110 0.000 0.979 275 G HN 0.006 nan 8.290 nan 0.000 0.471 276 Y N 0.724 120.918 120.300 -0.176 0.000 2.492 276 Y HA 0.785 5.334 4.550 -0.001 0.000 0.346 276 Y C 0.083 175.850 175.900 -0.222 0.000 0.997 276 Y CA -0.863 57.145 58.100 -0.153 0.000 1.025 276 Y CB 2.039 40.421 38.460 -0.129 0.000 1.263 276 Y HN 0.718 nan 8.280 nan 0.000 0.454 277 R N 4.389 124.557 120.500 -0.554 0.000 2.460 277 R HA 0.563 4.902 4.340 -0.001 0.000 0.303 277 R C -0.669 175.342 176.300 -0.482 0.000 0.968 277 R CA -0.554 55.232 56.100 -0.524 0.000 0.889 277 R CB 0.944 31.022 30.300 -0.370 0.000 1.123 277 R HN 0.923 nan 8.270 nan 0.000 0.455 278 R N 2.942 123.175 120.500 -0.445 0.000 2.616 278 R HA 0.204 4.544 4.340 -0.001 0.000 0.427 278 R C -0.472 175.661 176.300 -0.278 0.000 1.030 278 R CA -0.271 55.678 56.100 -0.252 0.000 1.133 278 R CB 0.548 30.757 30.300 -0.152 0.000 1.444 278 R HN 0.774 nan 8.270 nan 0.000 0.578 279 C N -1.518 117.564 119.300 -0.363 0.000 3.308 279 C HA 0.632 5.091 4.460 -0.001 0.000 0.360 279 C C -0.127 174.785 174.990 -0.130 0.000 1.695 279 C CA -1.499 57.365 59.018 -0.256 0.000 1.366 279 C CB 1.315 28.842 27.740 -0.355 0.000 2.121 279 C HN 0.324 nan 8.230 nan 0.000 0.442 280 R N 1.201 121.685 120.500 -0.027 0.000 2.502 280 R HA 0.465 4.804 4.340 -0.001 0.000 0.292 280 R C 0.057 176.413 176.300 0.093 0.000 0.998 280 R CA 0.953 57.092 56.100 0.065 0.000 1.056 280 R CB -0.163 30.220 30.300 0.139 0.000 0.939 280 R HN 1.163 nan 8.270 nan 0.000 0.411 281 A N 3.578 126.466 122.820 0.115 0.000 2.328 281 A HA 0.246 4.565 4.320 -0.001 0.000 0.284 281 A C 0.989 178.674 177.584 0.169 0.000 1.160 281 A CA 0.037 52.163 52.037 0.148 0.000 0.818 281 A CB 0.573 19.668 19.000 0.158 0.000 1.087 281 A HN 1.015 nan 8.150 nan 0.000 0.504 282 S N 2.039 117.852 115.700 0.190 0.000 2.489 282 S HA 0.057 4.527 4.470 -0.001 0.000 0.228 282 S C 1.096 175.799 174.600 0.172 0.000 0.995 282 S CA 0.794 59.101 58.200 0.179 0.000 0.934 282 S CB 0.004 63.315 63.200 0.186 0.000 0.771 282 S HN 1.237 nan 8.310 nan 0.000 0.522 283 G N 1.940 110.867 108.800 0.212 0.000 4.294 283 G HA2 0.520 4.480 3.960 -0.001 0.000 0.301 283 G HA3 0.520 4.480 3.960 -0.001 0.000 0.301 283 G C -0.150 174.886 174.900 0.226 0.000 1.321 283 G CA -0.062 45.172 45.100 0.223 0.000 1.190 283 G HN 0.633 nan 8.290 nan 0.000 0.600 284 V N -2.518 117.512 119.914 0.192 0.000 3.074 284 V HA 0.577 4.696 4.120 -0.001 0.000 0.314 284 V C 1.262 177.444 176.094 0.147 0.000 1.117 284 V CA -0.975 61.456 62.300 0.219 0.000 1.014 284 V CB 1.737 33.763 31.823 0.338 0.000 1.057 284 V HN 0.061 nan 8.190 nan 0.000 0.438 285 L N 2.365 123.686 121.223 0.164 0.000 2.191 285 L HA -0.025 4.314 4.340 -0.001 0.000 0.212 285 L C 2.230 179.119 176.870 0.031 0.000 1.103 285 L CA 3.000 57.915 54.840 0.124 0.000 0.769 285 L CB -0.672 41.484 42.059 0.160 0.000 0.908 285 L HN 1.092 nan 8.230 nan 0.000 0.438 286 T N -6.138 108.352 114.554 -0.106 0.000 3.129 286 T HA 0.020 4.370 4.350 -0.001 0.000 0.251 286 T C 1.555 176.193 174.700 -0.104 0.000 1.117 286 T CA 0.661 62.636 62.100 -0.207 0.000 1.034 286 T CB -0.626 67.918 68.868 -0.540 0.000 0.968 286 T HN 0.243 nan 8.240 nan 0.000 0.526 287 T N 2.009 116.543 114.554 -0.035 0.000 2.652 287 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 287 T C 2.209 176.931 174.700 0.035 0.000 1.039 287 T CA 1.790 63.906 62.100 0.026 0.000 1.153 287 T CB -0.640 68.269 68.868 0.068 0.000 0.863 287 T HN 0.541 nan 8.240 nan 0.000 0.428 288 S N -0.148 115.553 115.700 0.003 0.000 2.343 288 S HA -0.157 4.312 4.470 -0.001 0.000 0.219 288 S C 2.460 177.090 174.600 0.049 0.000 1.033 288 S CA 1.478 59.673 58.200 -0.007 0.000 1.014 288 S CB -1.000 62.092 63.200 -0.181 0.000 0.915 288 S HN 0.666 nan 8.310 nan 0.000 0.435 289 C N 1.337 120.640 119.300 0.006 0.000 2.429 289 C HA 0.082 4.541 4.460 -0.001 0.000 0.277 289 C C 2.791 177.837 174.990 0.093 0.000 1.262 289 C CA 1.138 60.178 59.018 0.037 0.000 1.733 289 C CB -1.850 25.878 27.740 -0.020 0.000 2.010 289 C HN 0.725 nan 8.230 nan 0.000 0.483 290 G N 0.474 109.336 108.800 0.103 0.000 2.433 290 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.216 290 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.216 290 G C 1.517 176.502 174.900 0.142 0.000 1.186 290 G CA 1.032 46.204 45.100 0.119 0.000 0.779 290 G HN 0.577 nan 8.290 nan 0.000 0.543 291 N N 0.507 119.294 118.700 0.144 0.000 2.104 291 N HA -0.096 4.643 4.740 -0.001 0.000 0.190 291 N C 2.396 177.953 175.510 0.079 0.000 1.024 291 N CA 1.707 54.846 53.050 0.148 0.000 0.853 291 N CB -0.828 37.630 38.487 -0.048 0.000 1.008 291 N HN 0.254 nan 8.380 nan 0.000 0.424 292 T N 1.793 116.401 114.554 0.090 0.000 2.708 292 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 292 T C 2.137 176.926 174.700 0.149 0.000 1.037 292 T CA 0.726 62.901 62.100 0.125 0.000 1.146 292 T CB -0.292 68.717 68.868 0.235 0.000 0.865 292 T HN 0.140 nan 8.240 nan 0.000 0.435 293 L N 0.599 121.889 121.223 0.112 0.000 2.017 293 L HA -0.117 4.222 4.340 -0.001 0.000 0.208 293 L C 2.962 179.929 176.870 0.161 0.000 1.073 293 L CA 1.293 56.189 54.840 0.092 0.000 0.745 293 L CB -1.042 41.023 42.059 0.011 0.000 0.894 293 L HN 0.286 nan 8.230 nan 0.000 0.432 294 T N -1.320 113.344 114.554 0.184 0.000 2.746 294 T HA -0.237 4.113 4.350 -0.001 0.000 0.267 294 T C 2.002 176.889 174.700 0.311 0.000 1.039 294 T CA 1.462 63.698 62.100 0.227 0.000 1.142 294 T CB -0.470 68.562 68.868 0.274 0.000 0.866 294 T HN 0.467 nan 8.240 nan 0.000 0.444 295 C N 0.651 120.195 119.300 0.405 0.000 2.446 295 C HA -0.061 4.399 4.460 -0.001 0.000 0.277 295 C C 2.401 177.553 174.990 0.271 0.000 1.275 295 C CA 0.397 59.656 59.018 0.403 0.000 1.727 295 C CB -1.410 26.478 27.740 0.247 0.000 2.010 295 C HN 0.652 nan 8.230 nan 0.000 0.486 296 Y N 1.036 121.406 120.300 0.116 0.000 2.242 296 Y HA -0.075 4.474 4.550 -0.001 0.000 0.291 296 Y C 2.118 178.048 175.900 0.049 0.000 1.137 296 Y CA 2.009 60.154 58.100 0.076 0.000 1.181 296 Y CB -0.502 37.986 38.460 0.045 0.000 0.989 296 Y HN 0.343 nan 8.280 nan 0.000 0.527 297 L N 0.923 122.201 121.223 0.091 0.000 2.027 297 L HA -0.129 4.211 4.340 -0.001 0.000 0.206 297 L C 2.104 178.905 176.870 -0.114 0.000 1.074 297 L CA 1.903 56.696 54.840 -0.079 0.000 0.745 297 L CB -0.871 41.134 42.059 -0.089 0.000 0.898 297 L HN 0.101 nan 8.230 nan 0.000 0.433 298 K N -0.320 120.083 120.400 0.005 0.000 2.026 298 K HA -0.079 4.240 4.320 -0.001 0.000 0.208 298 K C 2.105 178.737 176.600 0.055 0.000 1.048 298 K CA 1.400 57.712 56.287 0.041 0.000 0.929 298 K CB -0.456 32.136 32.500 0.153 0.000 0.713 298 K HN 0.485 nan 8.250 nan 0.000 0.439 299 A N 1.177 124.011 122.820 0.023 0.000 1.902 299 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 299 A C 2.239 179.853 177.584 0.051 0.000 1.181 299 A CA 1.870 53.937 52.037 0.050 0.000 0.623 299 A CB -0.572 18.544 19.000 0.193 0.000 0.818 299 A HN 0.184 nan 8.150 nan 0.000 0.443 300 S N 0.008 115.623 115.700 -0.141 0.000 2.370 300 S HA -0.078 4.391 4.470 -0.001 0.000 0.226 300 S C 2.294 176.850 174.600 -0.074 0.000 1.033 300 S CA 1.285 59.365 58.200 -0.201 0.000 1.011 300 S CB -0.488 62.417 63.200 -0.492 0.000 0.852 300 S HN 0.805 nan 8.310 nan 0.000 0.457 301 A N 1.501 124.297 122.820 -0.040 0.000 1.930 301 A HA 0.177 4.496 4.320 -0.001 0.000 0.217 301 A C 2.353 180.012 177.584 0.124 0.000 1.175 301 A CA 1.583 53.663 52.037 0.070 0.000 0.627 301 A CB -1.033 18.021 19.000 0.090 0.000 0.815 301 A HN 0.510 nan 8.150 nan 0.000 0.443 302 A N -0.959 121.931 122.820 0.116 0.000 1.933 302 A HA -0.177 4.142 4.320 -0.001 0.000 0.218 302 A C 2.268 179.871 177.584 0.031 0.000 1.175 302 A CA 1.673 53.624 52.037 -0.143 0.000 0.628 302 A CB -1.263 17.243 19.000 -0.823 0.000 0.814 302 A HN 0.593 nan 8.150 nan 0.000 0.444 303 C N -0.865 118.565 119.300 0.217 0.000 2.425 303 C HA -0.078 4.381 4.460 -0.001 0.000 0.277 303 C C 2.883 177.894 174.990 0.034 0.000 1.280 303 C CA 1.075 60.246 59.018 0.254 0.000 1.744 303 C CB -1.278 26.572 27.740 0.184 0.000 1.989 303 C HN 0.598 nan 8.230 nan 0.000 0.491 304 R N 1.074 121.504 120.500 -0.116 0.000 2.075 304 R HA -0.045 4.295 4.340 -0.001 0.000 0.232 304 R C 2.428 178.474 176.300 -0.424 0.000 1.126 304 R CA 1.475 57.377 56.100 -0.331 0.000 0.963 304 R CB -0.550 29.402 30.300 -0.580 0.000 0.858 304 R HN 0.522 nan 8.270 nan 0.000 0.435 305 A N 1.511 124.115 122.820 -0.360 0.000 1.902 305 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 305 A C 2.289 179.851 177.584 -0.037 0.000 1.181 305 A CA 1.740 53.703 52.037 -0.124 0.000 0.623 305 A CB -0.483 18.504 19.000 -0.022 0.000 0.818 305 A HN 0.386 nan 8.150 nan 0.000 0.443 306 A N -1.702 121.114 122.820 -0.006 0.000 2.169 306 A HA 0.226 4.545 4.320 -0.001 0.000 0.212 306 A C 1.082 178.678 177.584 0.019 0.000 1.153 306 A CA 0.987 53.045 52.037 0.036 0.000 0.756 306 A CB -0.355 18.721 19.000 0.126 0.000 0.813 306 A HN 0.500 nan 8.150 nan 0.000 0.471 307 K N -1.330 119.069 120.400 -0.002 0.000 3.192 307 K HA -0.137 4.183 4.320 -0.001 0.000 0.278 307 K C -0.821 175.781 176.600 0.005 0.000 1.164 307 K CA 0.421 56.706 56.287 -0.004 0.000 0.816 307 K CB -2.083 30.420 32.500 0.004 0.000 1.256 307 K HN 0.520 nan 8.250 nan 0.000 0.497 308 L N 2.125 123.358 121.223 0.018 0.000 2.367 308 L HA 0.062 4.401 4.340 -0.001 0.000 0.275 308 L C 1.174 178.047 176.870 0.005 0.000 1.129 308 L CA 0.011 54.860 54.840 0.015 0.000 0.839 308 L CB 0.535 42.618 42.059 0.040 0.000 1.133 308 L HN 0.189 nan 8.230 nan 0.000 0.453 309 Q N 2.126 121.922 119.800 -0.006 0.000 2.235 309 Q HA 0.214 4.553 4.340 -0.001 0.000 0.250 309 Q C -0.771 175.216 176.000 -0.022 0.000 0.909 309 Q CA -0.887 54.909 55.803 -0.012 0.000 0.910 309 Q CB 1.540 30.269 28.738 -0.015 0.000 1.223 309 Q HN 0.513 nan 8.270 nan 0.000 0.432 310 D N 0.802 121.191 120.400 -0.019 0.000 2.697 310 D HA -0.145 4.495 4.640 -0.001 0.000 0.238 310 D C -0.935 175.348 176.300 -0.029 0.000 1.152 310 D CA 0.461 54.447 54.000 -0.024 0.000 0.666 310 D CB -1.506 39.269 40.800 -0.041 0.000 1.037 310 D HN 0.574 nan 8.370 nan 0.000 0.423 311 C N 1.016 120.309 119.300 -0.012 0.000 2.566 311 C HA 0.308 4.768 4.460 -0.001 0.000 0.393 311 C C 1.164 176.156 174.990 0.003 0.000 1.309 311 C CA -0.011 58.999 59.018 -0.012 0.000 1.801 311 C CB 0.100 27.844 27.740 0.007 0.000 2.493 311 C HN 0.252 nan 8.230 nan 0.000 0.575 312 T N 6.338 120.886 114.554 -0.010 0.000 2.807 312 T HA 0.575 4.924 4.350 -0.001 0.000 0.279 312 T C -0.200 174.528 174.700 0.047 0.000 0.993 312 T CA -0.247 61.880 62.100 0.046 0.000 0.970 312 T CB 0.926 69.799 68.868 0.008 0.000 0.950 312 T HN 0.543 nan 8.240 nan 0.000 0.441 313 M N 2.885 122.565 119.600 0.135 0.000 2.664 313 M HA 0.664 5.143 4.480 -0.001 0.000 0.314 313 M C -1.364 175.063 176.300 0.211 0.000 1.200 313 M CA -1.200 54.169 55.300 0.115 0.000 0.916 313 M CB 2.088 34.755 32.600 0.112 0.000 1.717 313 M HN 0.309 nan 8.290 nan 0.000 0.470 314 L N 2.158 123.463 121.223 0.137 0.000 2.404 314 L HA 0.683 5.022 4.340 -0.001 0.000 0.272 314 L C -1.596 175.285 176.870 0.018 0.000 0.980 314 L CA -0.481 54.434 54.840 0.125 0.000 0.836 314 L CB 1.784 43.938 42.059 0.158 0.000 1.238 314 L HN 0.503 nan 8.230 nan 0.000 0.408 315 V N 4.317 124.214 119.914 -0.028 0.000 2.487 315 V HA 0.576 4.695 4.120 -0.001 0.000 0.298 315 V C -0.689 175.223 176.094 -0.305 0.000 1.028 315 V CA -0.610 61.648 62.300 -0.071 0.000 0.860 315 V CB 1.898 33.775 31.823 0.090 0.000 0.991 315 V HN 0.778 nan 8.190 nan 0.000 0.427 316 N N 3.710 122.180 118.700 -0.382 0.000 2.682 316 N HA 0.609 5.348 4.740 -0.001 0.000 0.252 316 N C 0.588 175.943 175.510 -0.258 0.000 1.081 316 N CA 0.624 53.215 53.050 -0.766 0.000 0.844 316 N CB 1.632 39.578 38.487 -0.901 0.000 1.167 316 N HN 1.071 nan 8.380 nan 0.000 0.523 317 G N 2.197 110.996 108.800 -0.003 0.000 2.596 317 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.304 317 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.304 317 G C 0.531 175.282 174.900 -0.248 0.000 1.189 317 G CA 0.682 45.783 45.100 0.002 0.000 0.986 317 G HN 0.576 nan 8.290 nan 0.000 0.548 318 D N 1.239 121.401 120.400 -0.397 0.000 2.349 318 D HA 0.076 4.715 4.640 -0.001 0.000 0.215 318 D C 0.416 176.603 176.300 -0.189 0.000 1.016 318 D CA 0.725 54.326 54.000 -0.665 0.000 0.870 318 D CB -0.125 40.205 40.800 -0.784 0.000 0.917 318 D HN 0.447 nan 8.370 nan 0.000 0.524 319 D N 0.865 121.199 120.400 -0.109 0.000 2.325 319 D HA 0.224 4.864 4.640 -0.001 0.000 0.251 319 D C -0.907 175.383 176.300 -0.017 0.000 1.196 319 D CA -0.434 53.545 54.000 -0.034 0.000 0.866 319 D CB 0.972 41.741 40.800 -0.052 0.000 1.101 319 D HN 0.053 nan 8.370 nan 0.000 0.476 320 L N 5.173 126.435 121.223 0.066 0.000 2.362 320 L HA 0.536 4.875 4.340 -0.001 0.000 0.275 320 L C -1.589 175.294 176.870 0.021 0.000 0.998 320 L CA -0.668 54.220 54.840 0.080 0.000 0.820 320 L CB 1.887 44.069 42.059 0.205 0.000 1.270 320 L HN 0.132 nan 8.230 nan 0.000 0.415 321 V N 5.979 125.855 119.914 -0.062 0.000 2.709 321 V HA 0.791 4.910 4.120 -0.001 0.000 0.308 321 V C -1.489 174.436 176.094 -0.282 0.000 1.062 321 V CA -0.338 61.858 62.300 -0.175 0.000 0.901 321 V CB 2.367 34.128 31.823 -0.103 0.000 1.003 321 V HN 0.601 nan 8.190 nan 0.000 0.425 322 V N 7.670 127.215 119.914 -0.615 0.000 2.588 322 V HA 0.607 4.726 4.120 -0.001 0.000 0.304 322 V C -0.401 175.408 176.094 -0.476 0.000 1.042 322 V CA -0.458 61.462 62.300 -0.633 0.000 0.877 322 V CB 1.767 32.939 31.823 -1.085 0.000 0.996 322 V HN 0.767 nan 8.190 nan 0.000 0.425 323 I N 4.724 125.160 120.570 -0.222 0.000 2.509 323 I HA 0.791 4.960 4.170 -0.001 0.000 0.293 323 I C -0.175 175.860 176.117 -0.136 0.000 1.020 323 I CA -0.359 60.859 61.300 -0.136 0.000 1.088 323 I CB 1.894 39.852 38.000 -0.071 0.000 1.267 323 I HN 0.926 nan 8.210 nan 0.000 0.430 324 C N 2.064 121.274 119.300 -0.149 0.000 3.314 324 C HA 0.505 4.965 4.460 -0.001 0.000 0.344 324 C C -0.812 174.084 174.990 -0.157 0.000 1.461 324 C CA -0.973 57.973 59.018 -0.121 0.000 1.249 324 C CB 1.694 29.405 27.740 -0.050 0.000 1.632 324 C HN 0.640 nan 8.230 nan 0.000 0.452 325 E N 1.891 122.024 120.200 -0.113 0.000 2.324 325 E HA 0.271 4.620 4.350 -0.001 0.000 0.271 325 E C 0.255 176.814 176.600 -0.067 0.000 1.028 325 E CA 0.570 56.907 56.400 -0.105 0.000 0.890 325 E CB 1.484 31.141 29.700 -0.073 0.000 1.004 325 E HN 0.718 nan 8.360 nan 0.000 0.431 326 S N 1.874 117.541 115.700 -0.055 0.000 2.565 326 S HA 0.324 4.794 4.470 -0.001 0.000 0.276 326 S C 0.479 175.086 174.600 0.013 0.000 1.326 326 S CA 0.076 58.289 58.200 0.022 0.000 1.045 326 S CB 0.727 64.007 63.200 0.133 0.000 0.918 326 S HN 0.503 nan 8.310 nan 0.000 0.505 327 A N 3.188 126.022 122.820 0.023 0.000 2.503 327 A HA 0.671 4.990 4.320 -0.001 0.000 0.263 327 A C 0.822 178.413 177.584 0.011 0.000 1.258 327 A CA 0.205 52.246 52.037 0.008 0.000 0.936 327 A CB -0.710 18.291 19.000 0.002 0.000 1.070 327 A HN 1.834 nan 8.150 nan 0.000 0.522 328 G N -1.883 106.934 108.800 0.028 0.000 2.525 328 G HA2 0.085 4.044 3.960 -0.001 0.000 0.685 328 G HA3 0.085 4.044 3.960 -0.001 0.000 0.685 328 G C 0.315 175.234 174.900 0.032 0.000 1.285 328 G CA -0.158 44.946 45.100 0.006 0.000 0.849 328 G HN 0.310 nan 8.290 nan 0.000 0.653 329 T N 0.837 115.375 114.554 -0.027 0.000 2.665 329 T HA -0.176 4.173 4.350 -0.001 0.000 0.268 329 T C 2.418 177.142 174.700 0.040 0.000 1.035 329 T CA 2.175 64.270 62.100 -0.007 0.000 1.151 329 T CB -0.195 68.610 68.868 -0.105 0.000 0.862 329 T HN 0.530 nan 8.240 nan 0.000 0.438 330 Q N 0.820 120.625 119.800 0.009 0.000 2.046 330 Q HA -0.075 4.265 4.340 -0.001 0.000 0.200 330 Q C 2.408 178.415 176.000 0.012 0.000 0.975 330 Q CA 1.416 57.224 55.803 0.009 0.000 0.836 330 Q CB -0.375 28.361 28.738 -0.002 0.000 0.896 330 Q HN 0.613 nan 8.270 nan 0.000 0.428 331 E N 0.970 121.177 120.200 0.012 0.000 2.077 331 E HA -0.155 4.194 4.350 -0.001 0.000 0.193 331 E C 1.683 178.287 176.600 0.007 0.000 0.989 331 E CA 1.251 57.655 56.400 0.007 0.000 0.800 331 E CB -0.154 29.550 29.700 0.006 0.000 0.746 331 E HN 0.291 nan 8.360 nan 0.000 0.452 332 D N 0.380 120.798 120.400 0.030 0.000 2.097 332 D HA -0.131 4.509 4.640 -0.001 0.000 0.195 332 D C 1.876 178.160 176.300 -0.027 0.000 0.989 332 D CA 1.644 55.654 54.000 0.017 0.000 0.827 332 D CB -0.475 40.390 40.800 0.108 0.000 0.966 332 D HN 0.224 nan 8.370 nan 0.000 0.456 333 A N 0.675 123.499 122.820 0.007 0.000 1.972 333 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 333 A C 2.237 179.802 177.584 -0.032 0.000 1.169 333 A CA 2.040 54.067 52.037 -0.016 0.000 0.635 333 A CB -0.544 18.465 19.000 0.015 0.000 0.810 333 A HN 0.240 nan 8.150 nan 0.000 0.446 334 A N -0.746 122.061 122.820 -0.021 0.000 1.897 334 A HA 0.014 4.333 4.320 -0.001 0.000 0.215 334 A C 2.422 179.990 177.584 -0.027 0.000 1.181 334 A CA 1.760 53.786 52.037 -0.018 0.000 0.620 334 A CB -0.810 18.185 19.000 -0.009 0.000 0.821 334 A HN 0.422 nan 8.150 nan 0.000 0.443 335 S N 0.189 115.866 115.700 -0.038 0.000 2.359 335 S HA -0.127 4.342 4.470 -0.001 0.000 0.224 335 S C 1.825 176.390 174.600 -0.058 0.000 1.035 335 S CA 1.323 59.499 58.200 -0.039 0.000 1.018 335 S CB -0.366 62.804 63.200 -0.050 0.000 0.876 335 S HN 0.413 nan 8.310 nan 0.000 0.448 336 L N 1.537 122.668 121.223 -0.153 0.000 2.081 336 L HA -0.102 4.237 4.340 -0.001 0.000 0.212 336 L C 2.487 179.342 176.870 -0.026 0.000 1.080 336 L CA 1.651 56.357 54.840 -0.224 0.000 0.754 336 L CB -1.124 40.739 42.059 -0.326 0.000 0.893 336 L HN 0.347 nan 8.230 nan 0.000 0.433 337 R N -1.006 119.483 120.500 -0.019 0.000 2.073 337 R HA -0.132 4.208 4.340 -0.001 0.000 0.234 337 R C 2.223 178.534 176.300 0.020 0.000 1.134 337 R CA 1.265 57.371 56.100 0.010 0.000 0.952 337 R CB -0.307 29.991 30.300 -0.004 0.000 0.850 337 R HN 0.218 nan 8.270 nan 0.000 0.433 338 V N 0.746 120.669 119.914 0.014 0.000 2.343 338 V HA -0.248 3.871 4.120 -0.001 0.000 0.247 338 V C 1.953 178.047 176.094 -0.000 0.000 1.051 338 V CA 1.714 64.014 62.300 -0.000 0.000 1.036 338 V CB -0.621 31.204 31.823 0.004 0.000 0.654 338 V HN 0.208 nan 8.190 nan 0.000 0.451 339 F N 1.688 121.576 119.950 -0.105 0.000 2.043 339 F HA -0.276 4.250 4.527 -0.001 0.000 0.297 339 F C 2.516 178.243 175.800 -0.123 0.000 1.121 339 F CA 2.533 60.463 58.000 -0.116 0.000 1.199 339 F CB -0.706 38.214 39.000 -0.133 0.000 0.968 339 F HN 0.107 nan 8.300 nan 0.000 0.478 340 T N -0.006 114.627 114.554 0.131 0.000 2.803 340 T HA -0.200 4.149 4.350 -0.001 0.000 0.269 340 T C 1.724 176.401 174.700 -0.037 0.000 1.052 340 T CA 1.738 63.914 62.100 0.128 0.000 1.136 340 T CB -0.351 68.673 68.868 0.260 0.000 0.864 340 T HN 0.432 nan 8.240 nan 0.000 0.467 341 E N 0.767 120.920 120.200 -0.079 0.000 2.072 341 E HA 0.006 4.356 4.350 -0.001 0.000 0.190 341 E C 2.588 179.042 176.600 -0.244 0.000 0.982 341 E CA 0.867 57.196 56.400 -0.118 0.000 0.803 341 E CB -0.160 29.488 29.700 -0.088 0.000 0.755 341 E HN 0.481 nan 8.360 nan 0.000 0.453 342 A N 1.300 123.907 122.820 -0.355 0.000 1.873 342 A HA -0.168 4.152 4.320 -0.001 0.000 0.215 342 A C 2.159 179.232 177.584 -0.851 0.000 1.186 342 A CA 1.113 52.769 52.037 -0.636 0.000 0.616 342 A CB -0.304 18.348 19.000 -0.581 0.000 0.823 342 A HN 0.110 nan 8.150 nan 0.000 0.442 343 M N -0.128 119.102 119.600 -0.617 0.000 2.106 343 M HA -0.137 4.343 4.480 -0.001 0.000 0.259 343 M C 2.205 178.388 176.300 -0.195 0.000 1.068 343 M CA 2.161 57.221 55.300 -0.400 0.000 1.100 343 M CB -1.967 30.342 32.600 -0.485 0.000 1.351 343 M HN 0.465 nan 8.290 nan 0.000 0.404 344 T N -0.379 114.077 114.554 -0.164 0.000 2.746 344 T HA -0.162 4.187 4.350 -0.001 0.000 0.267 344 T C 1.994 176.627 174.700 -0.112 0.000 1.039 344 T CA 1.424 63.475 62.100 -0.083 0.000 1.142 344 T CB -0.241 68.589 68.868 -0.063 0.000 0.866 344 T HN 0.295 nan 8.240 nan 0.000 0.444 345 R N -0.055 120.313 120.500 -0.221 0.000 2.105 345 R HA -0.025 4.314 4.340 -0.001 0.000 0.239 345 R C 1.850 178.110 176.300 -0.067 0.000 1.135 345 R CA 1.371 57.357 56.100 -0.190 0.000 0.967 345 R CB -0.327 29.789 30.300 -0.307 0.000 0.861 345 R HN 0.592 nan 8.270 nan 0.000 0.442 346 Y N -0.809 119.418 120.300 -0.121 0.000 2.578 346 Y HA 0.011 4.560 4.550 -0.001 0.000 0.297 346 Y C 0.768 176.600 175.900 -0.113 0.000 1.176 346 Y CA -0.033 57.979 58.100 -0.147 0.000 1.315 346 Y CB 0.382 38.770 38.460 -0.119 0.000 1.031 346 Y HN 0.033 nan 8.280 nan 0.000 0.524 347 S N 0.497 116.229 115.700 0.054 0.000 3.978 347 S HA -0.141 4.329 4.470 -0.001 0.000 0.402 347 S C -0.270 174.338 174.600 0.013 0.000 0.927 347 S CA 0.291 58.508 58.200 0.029 0.000 1.197 347 S CB -1.362 61.848 63.200 0.016 0.000 0.855 347 S HN 0.619 nan 8.310 nan 0.000 0.524 348 A N 1.958 124.798 122.820 0.034 0.000 3.455 348 A HA 0.550 4.870 4.320 -0.001 0.000 0.225 348 A C -2.211 175.472 177.584 0.165 0.000 1.052 348 A CA -0.422 51.656 52.037 0.068 0.000 1.005 348 A CB 0.835 19.888 19.000 0.088 0.000 1.318 348 A HN 0.477 nan 8.150 nan 0.000 0.639 349 P HA 0.272 nan 4.420 nan 0.000 0.270 349 P C -2.855 174.515 177.300 0.117 0.000 1.223 349 P CA -0.781 62.373 63.100 0.091 0.000 0.785 349 P CB 0.564 32.252 31.700 -0.019 0.000 0.923 350 P HA 0.130 nan 4.420 nan 0.000 0.279 350 P C 0.548 177.799 177.300 -0.083 0.000 1.252 350 P CA -0.037 62.998 63.100 -0.108 0.000 0.811 350 P CB 0.997 32.606 31.700 -0.152 0.000 1.035 351 G N 1.105 109.842 108.800 -0.105 0.000 2.599 351 G HA2 0.049 4.009 3.960 -0.001 0.000 0.210 351 G HA3 0.049 4.009 3.960 -0.001 0.000 0.210 351 G C -0.165 174.698 174.900 -0.061 0.000 1.177 351 G CA 0.105 45.171 45.100 -0.058 0.000 0.835 351 G HN 0.480 nan 8.290 nan 0.000 0.575 352 D N 2.105 122.458 120.400 -0.078 0.000 2.256 352 D HA 0.328 4.967 4.640 -0.001 0.000 0.240 352 D C -2.403 173.852 176.300 -0.075 0.000 1.062 352 D CA -1.158 52.808 54.000 -0.057 0.000 0.832 352 D CB 1.979 42.755 40.800 -0.041 0.000 1.135 352 D HN 0.121 nan 8.370 nan 0.000 0.484 353 P HA 0.076 nan 4.420 nan 0.000 0.266 353 P C -2.405 174.890 177.300 -0.008 0.000 1.195 353 P CA -0.775 62.312 63.100 -0.021 0.000 0.768 353 P CB -0.054 31.644 31.700 -0.003 0.000 0.838 354 P HA 0.183 nan 4.420 nan 0.000 0.274 354 P C -0.776 176.538 177.300 0.023 0.000 1.231 354 P CA 0.001 63.146 63.100 0.076 0.000 0.790 354 P CB 1.028 32.857 31.700 0.215 0.000 0.951 355 Q N 1.834 121.659 119.800 0.042 0.000 2.289 355 Q HA 0.371 4.710 4.340 -0.001 0.000 0.270 355 Q C -2.430 173.586 176.000 0.027 0.000 1.038 355 Q CA -2.120 53.693 55.803 0.015 0.000 0.812 355 Q CB 2.464 31.222 28.738 0.034 0.000 1.300 355 Q HN 0.412 nan 8.270 nan 0.000 0.427 356 P HA 0.050 nan 4.420 nan 0.000 0.267 356 P C -0.771 176.482 177.300 -0.078 0.000 1.200 356 P CA 0.129 63.182 63.100 -0.078 0.000 0.772 356 P CB 0.974 32.616 31.700 -0.096 0.000 0.855 357 E N 1.042 121.123 120.200 -0.198 0.000 2.293 357 E HA 0.363 4.713 4.350 -0.001 0.000 0.270 357 E C -1.065 175.405 176.600 -0.218 0.000 0.879 357 E CA -0.532 55.822 56.400 -0.077 0.000 0.756 357 E CB 1.072 30.794 29.700 0.036 0.000 1.208 357 E HN 0.318 nan 8.360 nan 0.000 0.428 358 Y N 0.686 121.139 120.300 0.254 0.000 2.557 358 Y HA 0.307 4.857 4.550 -0.001 0.000 0.247 358 Y C -0.189 175.983 175.900 0.452 0.000 1.164 358 Y CA -0.529 57.790 58.100 0.364 0.000 1.218 358 Y CB 1.017 39.587 38.460 0.184 0.000 1.210 358 Y HN 0.338 nan 8.280 nan 0.000 0.529 359 D N 0.163 120.732 120.400 0.282 0.000 2.469 359 D HA 0.145 4.785 4.640 -0.001 0.000 0.251 359 D C 0.765 176.825 176.300 -0.401 0.000 1.173 359 D CA -0.370 53.625 54.000 -0.009 0.000 0.882 359 D CB 1.192 42.007 40.800 0.025 0.000 1.129 359 D HN 0.024 nan 8.370 nan 0.000 0.549 360 L N 3.876 124.431 121.223 -1.114 0.000 2.089 360 L HA -0.170 4.169 4.340 -0.001 0.000 0.213 360 L C 1.489 178.040 176.870 -0.532 0.000 1.079 360 L CA 2.038 56.151 54.840 -1.213 0.000 0.758 360 L CB -0.374 40.748 42.059 -1.561 0.000 0.891 360 L HN 0.591 nan 8.230 nan 0.000 0.433 361 E N -0.919 119.064 120.200 -0.363 0.000 2.409 361 E HA -0.147 4.203 4.350 -0.001 0.000 0.198 361 E C 1.924 178.445 176.600 -0.133 0.000 1.024 361 E CA 0.719 57.001 56.400 -0.197 0.000 0.861 361 E CB -0.158 29.471 29.700 -0.118 0.000 0.788 361 E HN 0.554 nan 8.360 nan 0.000 0.521 362 L N 0.778 121.925 121.223 -0.127 0.000 2.592 362 L HA 0.187 4.526 4.340 -0.001 0.000 0.227 362 L C 0.575 177.412 176.870 -0.054 0.000 1.127 362 L CA -0.103 54.700 54.840 -0.061 0.000 0.884 362 L CB 0.218 42.265 42.059 -0.019 0.000 1.065 362 L HN 0.036 nan 8.230 nan 0.000 0.457 363 I N -0.010 120.504 120.570 -0.093 0.000 2.331 363 I HA 0.144 4.313 4.170 -0.001 0.000 0.292 363 I C -0.058 176.027 176.117 -0.054 0.000 0.998 363 I CA 0.065 61.328 61.300 -0.062 0.000 1.267 363 I CB 1.524 39.475 38.000 -0.081 0.000 1.386 363 I HN -0.095 nan 8.210 nan 0.000 0.476 364 T N 4.745 119.285 114.554 -0.023 0.000 2.779 364 T HA 0.482 4.832 4.350 -0.001 0.000 0.280 364 T C -0.327 174.372 174.700 -0.002 0.000 0.987 364 T CA -0.673 61.420 62.100 -0.011 0.000 0.966 364 T CB 1.109 69.977 68.868 -0.000 0.000 0.933 364 T HN 0.710 nan 8.240 nan 0.000 0.442 365 S N 0.627 116.326 115.700 -0.001 0.000 2.575 365 S HA 0.453 4.922 4.470 -0.001 0.000 0.278 365 S C 0.138 174.748 174.600 0.016 0.000 1.139 365 S CA -0.812 57.387 58.200 -0.001 0.000 0.954 365 S CB 0.621 63.805 63.200 -0.026 0.000 1.054 365 S HN 0.926 nan 8.310 nan 0.000 0.483 366 C N 1.950 121.262 119.300 0.021 0.000 4.432 366 C HA -0.172 4.287 4.460 -0.001 0.000 0.294 366 C C 1.341 176.391 174.990 0.100 0.000 1.398 366 C CA 0.673 59.721 59.018 0.050 0.000 1.988 366 C CB -3.235 24.523 27.740 0.030 0.000 1.251 366 C HN 1.716 nan 8.230 nan 0.000 0.791 367 S N -1.685 114.062 115.700 0.077 0.000 3.380 367 S HA -0.187 4.282 4.470 -0.001 0.000 0.300 367 S C 0.251 174.905 174.600 0.090 0.000 1.255 367 S CA 1.259 59.505 58.200 0.077 0.000 0.963 367 S CB -0.946 62.310 63.200 0.094 0.000 1.106 367 S HN 1.048 nan 8.310 nan 0.000 0.629 368 S N 1.640 117.399 115.700 0.099 0.000 2.667 368 S HA 0.809 5.278 4.470 -0.001 0.000 0.292 368 S C -0.481 174.147 174.600 0.045 0.000 1.126 368 S CA -0.894 57.380 58.200 0.123 0.000 0.881 368 S CB 1.854 65.191 63.200 0.227 0.000 1.132 368 S HN 0.595 nan 8.310 nan 0.000 0.492 369 N N -0.773 117.943 118.700 0.026 0.000 2.396 369 N HA 0.407 5.146 4.740 -0.001 0.000 0.275 369 N C -1.579 173.874 175.510 -0.095 0.000 1.218 369 N CA -0.551 52.472 53.050 -0.045 0.000 0.812 369 N CB 1.059 39.515 38.487 -0.052 0.000 1.592 369 N HN 0.340 nan 8.380 nan 0.000 0.480 370 V N 0.446 120.275 119.914 -0.142 0.000 2.775 370 V HA 0.479 4.598 4.120 -0.001 0.000 0.299 370 V C 0.518 176.497 176.094 -0.193 0.000 1.062 370 V CA 0.019 62.212 62.300 -0.179 0.000 1.063 370 V CB 1.086 32.800 31.823 -0.181 0.000 0.994 370 V HN 0.871 nan 8.190 nan 0.000 0.483 371 S N 2.409 117.924 115.700 -0.308 0.000 2.671 371 S HA 0.795 5.265 4.470 -0.001 0.000 0.277 371 S C -1.289 173.240 174.600 -0.117 0.000 1.165 371 S CA -0.505 57.547 58.200 -0.247 0.000 0.822 371 S CB 2.069 65.068 63.200 -0.334 0.000 1.150 371 S HN 0.426 nan 8.310 nan 0.000 0.479 372 V N 1.442 121.377 119.914 0.036 0.000 2.628 372 V HA 0.977 5.096 4.120 -0.001 0.000 0.306 372 V C 0.252 176.382 176.094 0.060 0.000 1.045 372 V CA -0.178 62.096 62.300 -0.043 0.000 0.905 372 V CB 0.994 32.663 31.823 -0.258 0.000 0.997 372 V HN 1.138 nan 8.190 nan 0.000 0.436 373 A N 2.760 125.479 122.820 -0.168 0.000 2.567 373 A HA 0.929 5.249 4.320 -0.001 0.000 0.289 373 A C -1.612 175.670 177.584 -0.503 0.000 1.177 373 A CA -0.582 51.231 52.037 -0.373 0.000 0.694 373 A CB 1.671 20.188 19.000 -0.806 0.000 1.292 373 A HN 0.908 nan 8.150 nan 0.000 0.425 374 H N 0.224 118.927 119.070 -0.611 0.000 2.572 374 H HA 0.526 5.081 4.556 -0.001 0.000 0.359 374 H C -0.730 174.294 175.328 -0.508 0.000 1.134 374 H CA -0.281 55.437 56.048 -0.549 0.000 1.187 374 H CB 1.370 30.748 29.762 -0.640 0.000 1.597 374 H HN 0.818 nan 8.280 nan 0.000 0.524 375 D N 0.693 121.003 120.400 -0.149 0.000 2.478 375 D HA 0.346 4.986 4.640 -0.001 0.000 0.269 375 D C 1.361 177.729 176.300 0.114 0.000 1.232 375 D CA -0.303 53.674 54.000 -0.038 0.000 1.059 375 D CB 0.333 41.109 40.800 -0.039 0.000 1.104 375 D HN 0.492 nan 8.370 nan 0.000 0.566 376 A N 0.194 123.082 122.820 0.114 0.000 1.869 376 A HA -0.224 4.095 4.320 -0.001 0.000 0.218 376 A C 2.075 179.724 177.584 0.109 0.000 1.203 376 A CA 3.266 55.374 52.037 0.119 0.000 0.638 376 A CB -1.680 17.362 19.000 0.070 0.000 0.831 376 A HN 0.764 nan 8.150 nan 0.000 0.450 377 S N -1.375 114.367 115.700 0.071 0.000 2.571 377 S HA 0.251 4.720 4.470 -0.001 0.000 0.245 377 S C 1.526 176.172 174.600 0.076 0.000 0.976 377 S CA 1.320 59.554 58.200 0.057 0.000 0.954 377 S CB -0.812 62.409 63.200 0.035 0.000 0.756 377 S HN 2.176 nan 8.310 nan 0.000 0.535 378 G N 0.870 109.745 108.800 0.124 0.000 2.176 378 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.253 378 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.253 378 G C -0.015 174.962 174.900 0.127 0.000 0.979 378 G CA 0.291 45.484 45.100 0.155 0.000 0.641 378 G HN 0.762 nan 8.290 nan 0.000 0.530 379 K N 0.589 121.010 120.400 0.035 0.000 2.382 379 K HA 0.359 4.678 4.320 -0.001 0.000 0.275 379 K C 0.689 177.172 176.600 -0.196 0.000 1.009 379 K CA -0.573 55.689 56.287 -0.041 0.000 0.970 379 K CB 0.321 32.794 32.500 -0.045 0.000 0.934 379 K HN 0.271 nan 8.250 nan 0.000 0.479 380 R N 2.457 122.778 120.500 -0.298 0.000 2.389 380 R HA 0.151 4.491 4.340 -0.001 0.000 0.295 380 R C -0.672 175.358 176.300 -0.451 0.000 1.075 380 R CA -0.311 55.437 56.100 -0.587 0.000 1.005 380 R CB 0.547 30.571 30.300 -0.460 0.000 0.987 380 R HN 0.467 nan 8.270 nan 0.000 0.452 381 V N 1.408 121.015 119.914 -0.512 0.000 2.971 381 V HA 0.518 4.637 4.120 -0.001 0.000 0.309 381 V C -1.406 174.484 176.094 -0.339 0.000 1.130 381 V CA -1.161 60.935 62.300 -0.339 0.000 0.964 381 V CB 1.637 33.352 31.823 -0.180 0.000 1.029 381 V HN 0.621 nan 8.190 nan 0.000 0.427 382 Y N 3.420 123.710 120.300 -0.018 0.000 2.352 382 Y HA 0.839 5.388 4.550 -0.001 0.000 0.326 382 Y C -0.030 175.942 175.900 0.121 0.000 1.166 382 Y CA -0.225 57.887 58.100 0.020 0.000 1.182 382 Y CB 1.726 40.144 38.460 -0.069 0.000 1.216 382 Y HN 0.916 nan 8.280 nan 0.000 0.474 383 Y N -0.025 120.328 120.300 0.088 0.000 2.670 383 Y HA 0.709 5.258 4.550 -0.001 0.000 0.334 383 Y C -2.297 173.645 175.900 0.071 0.000 1.185 383 Y CA -2.088 56.040 58.100 0.046 0.000 1.053 383 Y CB 0.640 39.099 38.460 -0.000 0.000 1.298 383 Y HN 0.466 nan 8.280 nan 0.000 0.459 384 L N 1.898 123.116 121.223 -0.009 0.000 2.307 384 L HA 0.782 5.122 4.340 -0.001 0.000 0.282 384 L C 0.063 177.019 176.870 0.144 0.000 1.051 384 L CA 0.361 55.182 54.840 -0.032 0.000 0.804 384 L CB 1.486 43.560 42.059 0.026 0.000 1.197 384 L HN 1.064 nan 8.230 nan 0.000 0.431 385 T N 4.096 118.737 114.554 0.146 0.000 2.654 385 T HA 0.886 5.235 4.350 -0.001 0.000 0.289 385 T C -1.257 173.625 174.700 0.305 0.000 1.062 385 T CA -0.508 61.819 62.100 0.378 0.000 1.041 385 T CB 1.161 70.190 68.868 0.268 0.000 1.417 385 T HN 0.846 nan 8.240 nan 0.000 0.510 386 R N 0.341 120.969 120.500 0.213 0.000 2.741 386 R HA 0.491 4.831 4.340 -0.001 0.000 0.276 386 R C -1.883 174.285 176.300 -0.221 0.000 1.028 386 R CA -0.963 55.124 56.100 -0.022 0.000 0.865 386 R CB 0.114 30.345 30.300 -0.115 0.000 1.268 386 R HN 0.584 nan 8.270 nan 0.000 0.475 387 D N 1.631 121.887 120.400 -0.240 0.000 2.417 387 D HA 0.123 4.763 4.640 -0.001 0.000 0.250 387 D C -1.365 174.584 176.300 -0.586 0.000 1.166 387 D CA -1.559 52.251 54.000 -0.317 0.000 0.881 387 D CB 1.177 41.866 40.800 -0.185 0.000 1.164 387 D HN 0.323 nan 8.370 nan 0.000 0.467 388 P HA -0.016 nan 4.420 nan 0.000 0.249 388 P C 0.823 177.798 177.300 -0.542 0.000 1.229 388 P CA 0.204 62.645 63.100 -1.100 0.000 0.788 388 P CB 0.403 31.309 31.700 -1.323 0.000 1.072 389 T N 0.055 114.411 114.554 -0.330 0.000 2.635 389 T HA -0.135 4.214 4.350 -0.001 0.000 0.267 389 T C 1.796 176.425 174.700 -0.118 0.000 1.040 389 T CA 2.422 64.423 62.100 -0.165 0.000 1.156 389 T CB -1.081 67.736 68.868 -0.084 0.000 0.863 389 T HN 0.205 nan 8.240 nan 0.000 0.430 390 T N 2.086 116.570 114.554 -0.116 0.000 2.737 390 T HA -0.037 4.313 4.350 -0.001 0.000 0.265 390 T C -0.560 174.080 174.700 -0.099 0.000 1.038 390 T CA 1.091 63.148 62.100 -0.073 0.000 1.144 390 T CB -1.156 67.698 68.868 -0.025 0.000 0.866 390 T HN 0.331 nan 8.240 nan 0.000 0.434 391 P HA -0.000 nan 4.420 nan 0.000 0.215 391 P C 1.490 178.802 177.300 0.019 0.000 1.153 391 P CA 0.902 63.965 63.100 -0.062 0.000 0.853 391 P CB -0.154 31.441 31.700 -0.174 0.000 0.788 392 L N -1.340 119.852 121.223 -0.052 0.000 2.056 392 L HA -0.126 4.214 4.340 -0.001 0.000 0.207 392 L C 2.465 179.370 176.870 0.058 0.000 1.078 392 L CA 1.430 56.277 54.840 0.012 0.000 0.749 392 L CB -1.149 40.880 42.059 -0.051 0.000 0.901 392 L HN -0.052 nan 8.230 nan 0.000 0.433 393 A N 0.257 123.097 122.820 0.035 0.000 1.902 393 A HA -0.214 4.105 4.320 -0.001 0.000 0.217 393 A C 2.370 180.025 177.584 0.119 0.000 1.181 393 A CA 1.547 53.629 52.037 0.075 0.000 0.623 393 A CB -0.460 18.561 19.000 0.035 0.000 0.818 393 A HN 0.325 nan 8.150 nan 0.000 0.443 394 R N -0.682 119.860 120.500 0.070 0.000 2.115 394 R HA 0.011 4.351 4.340 -0.001 0.000 0.230 394 R C 2.426 178.887 176.300 0.267 0.000 1.111 394 R CA 0.974 57.136 56.100 0.105 0.000 0.976 394 R CB -0.383 29.917 30.300 0.000 0.000 0.870 394 R HN 0.516 nan 8.270 nan 0.000 0.445 395 A N 1.302 124.301 122.820 0.298 0.000 1.902 395 A HA -0.098 4.222 4.320 -0.001 0.000 0.217 395 A C 2.360 180.187 177.584 0.406 0.000 1.181 395 A CA 1.597 53.933 52.037 0.498 0.000 0.623 395 A CB -0.573 18.725 19.000 0.497 0.000 0.818 395 A HN 0.375 nan 8.150 nan 0.000 0.443 396 A N -1.194 121.773 122.820 0.245 0.000 1.877 396 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 396 A C 2.116 179.824 177.584 0.206 0.000 1.186 396 A CA 1.471 53.610 52.037 0.172 0.000 0.620 396 A CB -0.911 18.177 19.000 0.145 0.000 0.822 396 A HN 0.825 nan 8.150 nan 0.000 0.443 397 W N 0.976 122.329 121.300 0.088 0.000 2.355 397 W HA -0.153 4.506 4.660 -0.001 0.000 0.309 397 W C 1.759 178.337 176.519 0.098 0.000 1.206 397 W CA 1.984 59.368 57.345 0.065 0.000 1.284 397 W CB -0.426 29.057 29.460 0.037 0.000 1.145 397 W HN 0.560 nan 8.180 nan 0.000 0.502 398 E N -0.798 119.690 120.200 0.479 0.000 2.338 398 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 398 E C 1.960 178.759 176.600 0.331 0.000 1.007 398 E CA 1.499 58.156 56.400 0.430 0.000 0.849 398 E CB -0.171 29.837 29.700 0.513 0.000 0.774 398 E HN 0.092 nan 8.360 nan 0.000 0.506 399 T N 0.179 114.902 114.554 0.281 0.000 2.821 399 T HA -0.082 4.267 4.350 -0.001 0.000 0.267 399 T C 1.707 176.411 174.700 0.006 0.000 1.046 399 T CA 1.298 63.490 62.100 0.153 0.000 1.139 399 T CB 0.056 69.018 68.868 0.158 0.000 0.871 399 T HN 0.231 nan 8.240 nan 0.000 0.454 400 A N -0.014 122.774 122.820 -0.054 0.000 2.382 400 A HA 0.536 4.855 4.320 -0.001 0.000 0.228 400 A C 0.951 178.417 177.584 -0.197 0.000 1.217 400 A CA -0.212 51.736 52.037 -0.148 0.000 0.923 400 A CB 0.351 19.233 19.000 -0.195 0.000 0.979 400 A HN 0.222 nan 8.150 nan 0.000 0.515 401 R N 0.610 121.022 120.500 -0.147 0.000 2.533 401 R HA 0.371 4.710 4.340 -0.001 0.000 0.288 401 R C -1.414 174.908 176.300 0.037 0.000 1.039 401 R CA -0.548 55.500 56.100 -0.086 0.000 0.909 401 R CB 0.401 30.670 30.300 -0.051 0.000 1.195 401 R HN 0.361 nan 8.270 nan 0.000 0.438 402 H N 2.081 121.249 119.070 0.164 0.000 2.803 402 H HA 0.249 4.804 4.556 -0.001 0.000 0.330 402 H C 0.047 175.487 175.328 0.187 0.000 1.057 402 H CA 0.613 56.767 56.048 0.177 0.000 1.458 402 H CB 1.077 30.919 29.762 0.133 0.000 1.470 402 H HN 0.728 nan 8.280 nan 0.000 0.560 403 T N -0.189 114.547 114.554 0.303 0.000 2.916 403 T HA 0.277 4.626 4.350 -0.001 0.000 0.292 403 T C -1.773 173.018 174.700 0.151 0.000 1.055 403 T CA -1.948 60.276 62.100 0.207 0.000 1.009 403 T CB 1.863 70.832 68.868 0.168 0.000 1.118 403 T HN 0.137 nan 8.240 nan 0.000 0.497 404 P HA 0.105 nan 4.420 nan 0.000 0.218 404 P C -0.225 177.100 177.300 0.042 0.000 1.149 404 P CA 0.453 63.610 63.100 0.097 0.000 0.817 404 P CB 0.139 31.884 31.700 0.075 0.000 0.785 405 V N 1.008 120.932 119.914 0.017 0.000 2.444 405 V HA 0.219 4.338 4.120 -0.001 0.000 0.294 405 V C -0.301 175.769 176.094 -0.041 0.000 1.022 405 V CA -0.870 61.413 62.300 -0.029 0.000 0.850 405 V CB 1.693 33.491 31.823 -0.042 0.000 0.992 405 V HN -0.016 nan 8.190 nan 0.000 0.426 406 N N 3.092 121.720 118.700 -0.120 0.000 2.521 406 N HA 0.071 4.810 4.740 -0.001 0.000 0.236 406 N C 1.333 176.634 175.510 -0.349 0.000 1.067 406 N CA 0.172 53.078 53.050 -0.239 0.000 0.939 406 N CB 1.707 39.916 38.487 -0.463 0.000 1.201 406 N HN 0.831 nan 8.380 nan 0.000 0.511 407 S N 2.363 117.974 115.700 -0.150 0.000 2.402 407 S HA -0.104 4.366 4.470 -0.001 0.000 0.229 407 S C 1.846 176.398 174.600 -0.081 0.000 1.021 407 S CA 0.149 58.297 58.200 -0.087 0.000 0.974 407 S CB -0.374 62.825 63.200 -0.002 0.000 0.800 407 S HN 0.786 nan 8.310 nan 0.000 0.484 408 W N 1.350 122.563 121.300 -0.144 0.000 2.358 408 W HA -0.041 4.619 4.660 -0.001 0.000 0.303 408 W C 1.713 178.145 176.519 -0.145 0.000 1.208 408 W CA 0.515 57.727 57.345 -0.222 0.000 1.274 408 W CB -1.156 27.778 29.460 -0.877 0.000 1.138 408 W HN 0.359 nan 8.180 nan 0.000 0.515 409 L N 2.854 123.415 121.223 -1.103 0.000 2.027 409 L HA 0.133 4.473 4.340 -0.001 0.000 0.206 409 L C 2.698 179.374 176.870 -0.323 0.000 1.074 409 L CA 2.790 57.082 54.840 -0.912 0.000 0.745 409 L CB -1.429 39.855 42.059 -1.292 0.000 0.898 409 L HN 0.060 nan 8.230 nan 0.000 0.433 410 G N -0.668 107.967 108.800 -0.276 0.000 2.440 410 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.218 410 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.218 410 G C 1.468 176.394 174.900 0.042 0.000 1.154 410 G CA 0.817 45.851 45.100 -0.110 0.000 0.767 410 G HN 0.445 nan 8.290 nan 0.000 0.552 411 N N 0.516 119.292 118.700 0.126 0.000 2.188 411 N HA 0.000 4.740 4.740 -0.001 0.000 0.184 411 N C 2.233 177.905 175.510 0.269 0.000 1.018 411 N CA 0.573 53.822 53.050 0.332 0.000 0.858 411 N CB -0.157 38.570 38.487 0.400 0.000 0.989 411 N HN 0.337 nan 8.380 nan 0.000 0.426 412 I N 0.877 121.557 120.570 0.182 0.000 2.252 412 I HA -0.207 3.963 4.170 -0.001 0.000 0.245 412 I C 1.995 178.183 176.117 0.118 0.000 1.102 412 I CA 0.817 62.207 61.300 0.150 0.000 1.385 412 I CB -0.120 38.032 38.000 0.253 0.000 1.064 412 I HN 0.044 nan 8.210 nan 0.000 0.414 413 I N -0.017 120.627 120.570 0.123 0.000 2.142 413 I HA -0.303 3.866 4.170 -0.001 0.000 0.240 413 I C 2.508 178.747 176.117 0.204 0.000 1.078 413 I CA 1.278 62.675 61.300 0.161 0.000 1.343 413 I CB -0.245 37.828 38.000 0.122 0.000 1.046 413 I HN 0.208 nan 8.210 nan 0.000 0.405 414 M N -0.593 119.065 119.600 0.096 0.000 2.254 414 M HA -0.119 4.361 4.480 -0.001 0.000 0.265 414 M C 1.069 177.200 176.300 -0.282 0.000 1.066 414 M CA 1.708 56.963 55.300 -0.075 0.000 1.123 414 M CB -0.829 31.633 32.600 -0.231 0.000 1.388 414 M HN 0.211 nan 8.290 nan 0.000 0.425 415 Y N -0.738 119.557 120.300 -0.009 0.000 2.734 415 Y HA 0.487 5.037 4.550 -0.001 0.000 0.278 415 Y C 1.744 177.396 175.900 -0.413 0.000 1.108 415 Y CA -0.251 57.730 58.100 -0.197 0.000 1.211 415 Y CB -0.782 37.522 38.460 -0.261 0.000 1.182 415 Y HN 0.153 nan 8.280 nan 0.000 0.547 416 A N 0.996 123.628 122.820 -0.312 0.000 1.958 416 A HA -0.174 4.145 4.320 -0.001 0.000 0.221 416 A C -0.495 176.843 177.584 -0.410 0.000 1.178 416 A CA 1.699 53.532 52.037 -0.339 0.000 0.642 416 A CB -1.318 17.512 19.000 -0.283 0.000 0.816 416 A HN 0.303 nan 8.150 nan 0.000 0.453 417 P HA 0.032 nan 4.420 nan 0.000 0.241 417 P C 0.588 177.686 177.300 -0.335 0.000 1.191 417 P CA 1.126 63.993 63.100 -0.387 0.000 0.771 417 P CB -0.289 31.201 31.700 -0.351 0.000 0.929 418 T N -2.709 111.644 114.554 -0.335 0.000 2.899 418 T HA 0.134 4.484 4.350 -0.001 0.000 0.295 418 T C 1.106 175.418 174.700 -0.646 0.000 1.033 418 T CA -0.643 61.212 62.100 -0.408 0.000 1.084 418 T CB 0.663 69.084 68.868 -0.744 0.000 0.979 418 T HN -0.182 nan 8.240 nan 0.000 0.532 419 L N 2.193 122.942 121.223 -0.791 0.000 1.994 419 L HA 0.015 4.355 4.340 -0.001 0.000 0.208 419 L C 2.483 179.044 176.870 -0.514 0.000 1.071 419 L CA 1.783 56.105 54.840 -0.863 0.000 0.745 419 L CB -0.931 40.547 42.059 -0.968 0.000 0.892 419 L HN 0.933 nan 8.230 nan 0.000 0.431 420 W N -0.551 120.548 121.300 -0.335 0.000 2.388 420 W HA -0.024 4.635 4.660 -0.001 0.000 0.294 420 W C 1.966 178.352 176.519 -0.222 0.000 1.212 420 W CA 0.897 58.081 57.345 -0.267 0.000 1.271 420 W CB -1.410 27.929 29.460 -0.202 0.000 1.126 420 W HN 0.343 nan 8.180 nan 0.000 0.535 421 A N 1.817 124.173 122.820 -0.772 0.000 1.897 421 A HA -0.105 4.214 4.320 -0.001 0.000 0.215 421 A C 2.261 179.682 177.584 -0.272 0.000 1.181 421 A CA 1.626 53.343 52.037 -0.533 0.000 0.620 421 A CB -0.718 17.795 19.000 -0.812 0.000 0.821 421 A HN 0.301 nan 8.150 nan 0.000 0.443 422 R N -0.998 119.262 120.500 -0.401 0.000 2.062 422 R HA 0.073 4.413 4.340 -0.001 0.000 0.229 422 R C 2.234 178.320 176.300 -0.357 0.000 1.128 422 R CA 1.612 57.485 56.100 -0.377 0.000 0.960 422 R CB -0.330 29.610 30.300 -0.599 0.000 0.855 422 R HN 0.491 nan 8.270 nan 0.000 0.432 423 M N -0.230 119.040 119.600 -0.550 0.000 2.288 423 M HA -0.012 4.468 4.480 -0.001 0.000 0.266 423 M C 1.902 178.147 176.300 -0.092 0.000 1.072 423 M CA 1.473 56.535 55.300 -0.396 0.000 1.132 423 M CB 0.118 32.435 32.600 -0.471 0.000 1.386 423 M HN 0.131 nan 8.290 nan 0.000 0.432 424 I N -1.192 119.177 120.570 -0.335 0.000 2.962 424 I HA -0.099 4.071 4.170 -0.001 0.000 0.246 424 I C 1.979 177.929 176.117 -0.277 0.000 1.091 424 I CA 0.064 60.903 61.300 -0.767 0.000 1.469 424 I CB -0.284 37.192 38.000 -0.873 0.000 1.324 424 I HN 0.070 nan 8.210 nan 0.000 0.461 425 L N 0.696 121.927 121.223 0.013 0.000 1.990 425 L HA -0.227 4.112 4.340 -0.001 0.000 0.213 425 L C 2.570 179.736 176.870 0.494 0.000 1.072 425 L CA 2.222 57.266 54.840 0.340 0.000 0.755 425 L CB -0.742 41.539 42.059 0.370 0.000 0.889 425 L HN 0.219 nan 8.230 nan 0.000 0.432 426 M N -1.989 117.858 119.600 0.411 0.000 2.086 426 M HA -0.198 4.281 4.480 -0.001 0.000 0.261 426 M C 2.104 178.900 176.300 0.826 0.000 1.067 426 M CA 2.072 57.723 55.300 0.585 0.000 1.116 426 M CB -0.719 32.004 32.600 0.205 0.000 1.348 426 M HN 0.261 nan 8.290 nan 0.000 0.407 427 T N -1.136 113.871 114.554 0.755 0.000 2.652 427 T HA -0.233 4.116 4.350 -0.001 0.000 0.267 427 T C 1.662 176.658 174.700 0.494 0.000 1.039 427 T CA 1.988 64.521 62.100 0.721 0.000 1.153 427 T CB -0.590 68.731 68.868 0.754 0.000 0.863 427 T HN 0.446 nan 8.240 nan 0.000 0.428 428 H N 0.508 119.741 119.070 0.272 0.000 2.267 428 H HA -0.041 4.515 4.556 -0.001 0.000 0.297 428 H C 1.844 177.048 175.328 -0.207 0.000 1.080 428 H CA 1.734 57.805 56.048 0.038 0.000 1.278 428 H CB -0.644 28.981 29.762 -0.229 0.000 1.365 428 H HN 0.394 nan 8.280 nan 0.000 0.489 429 F N -1.209 118.685 119.950 -0.094 0.000 2.234 429 F HA -0.053 4.473 4.527 -0.001 0.000 0.299 429 F C 2.015 177.638 175.800 -0.295 0.000 1.087 429 F CA 0.553 58.267 58.000 -0.478 0.000 1.340 429 F CB -0.365 37.968 39.000 -1.112 0.000 1.031 429 F HN 0.144 nan 8.300 nan 0.000 0.500 430 F N -0.583 119.446 119.950 0.131 0.000 2.259 430 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 430 F C 2.693 178.512 175.800 0.031 0.000 1.088 430 F CA 1.359 59.452 58.000 0.156 0.000 1.358 430 F CB -0.829 38.356 39.000 0.308 0.000 1.040 430 F HN -0.106 nan 8.300 nan 0.000 0.505 431 S N 0.421 116.193 115.700 0.120 0.000 2.356 431 S HA -0.183 4.287 4.470 -0.001 0.000 0.223 431 S C 2.166 176.725 174.600 -0.068 0.000 1.032 431 S CA 1.479 59.683 58.200 0.006 0.000 1.005 431 S CB -0.455 62.733 63.200 -0.020 0.000 0.867 431 S HN 0.325 nan 8.310 nan 0.000 0.449 432 I N 1.327 121.789 120.570 -0.180 0.000 2.179 432 I HA -0.185 3.985 4.170 -0.001 0.000 0.242 432 I C 2.222 178.292 176.117 -0.079 0.000 1.088 432 I CA 1.174 62.366 61.300 -0.181 0.000 1.357 432 I CB -0.384 37.431 38.000 -0.308 0.000 1.051 432 I HN 0.319 nan 8.210 nan 0.000 0.409 433 L N 0.065 121.244 121.223 -0.074 0.000 2.079 433 L HA -0.235 4.104 4.340 -0.001 0.000 0.210 433 L C 2.540 179.415 176.870 0.009 0.000 1.081 433 L CA 1.246 56.069 54.840 -0.030 0.000 0.752 433 L CB -0.569 41.433 42.059 -0.096 0.000 0.896 433 L HN 0.292 nan 8.230 nan 0.000 0.433 434 L N -0.201 121.038 121.223 0.026 0.000 1.994 434 L HA -0.202 4.138 4.340 -0.001 0.000 0.208 434 L C 2.889 179.770 176.870 0.018 0.000 1.071 434 L CA 1.318 56.183 54.840 0.042 0.000 0.745 434 L CB -0.622 41.466 42.059 0.048 0.000 0.892 434 L HN 0.240 nan 8.230 nan 0.000 0.431 435 A N -1.084 121.736 122.820 -0.000 0.000 2.024 435 A HA -0.211 4.108 4.320 -0.001 0.000 0.220 435 A C 2.086 179.673 177.584 0.006 0.000 1.164 435 A CA 1.445 53.479 52.037 -0.005 0.000 0.643 435 A CB -0.239 18.748 19.000 -0.021 0.000 0.806 435 A HN 0.459 nan 8.150 nan 0.000 0.451 436 Q N -1.155 118.653 119.800 0.013 0.000 2.319 436 Q HA 0.093 4.432 4.340 -0.001 0.000 0.209 436 Q C -0.458 175.560 176.000 0.030 0.000 0.884 436 Q CA 0.504 56.323 55.803 0.026 0.000 0.938 436 Q CB 0.186 28.948 28.738 0.040 0.000 1.098 436 Q HN 0.797 nan 8.270 nan 0.000 0.517 437 E N 0.630 120.849 120.200 0.030 0.000 2.340 437 E HA -0.224 4.126 4.350 -0.001 0.000 0.240 437 E C -0.409 176.215 176.600 0.041 0.000 1.154 437 E CA 0.270 56.692 56.400 0.036 0.000 0.717 437 E CB -1.369 28.349 29.700 0.030 0.000 1.250 437 E HN 0.433 nan 8.360 nan 0.000 0.386 438 Q N -0.212 119.615 119.800 0.044 0.000 2.182 438 Q HA 0.237 4.577 4.340 -0.001 0.000 0.270 438 Q C 1.547 177.579 176.000 0.053 0.000 0.861 438 Q CA -0.253 55.581 55.803 0.051 0.000 1.098 438 Q CB 0.490 29.265 28.738 0.062 0.000 1.188 438 Q HN 0.379 nan 8.270 nan 0.000 0.464 439 L N 0.165 121.421 121.223 0.054 0.000 2.131 439 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 439 L C 1.652 178.567 176.870 0.075 0.000 1.092 439 L CA 1.439 56.317 54.840 0.064 0.000 0.759 439 L CB -0.046 42.078 42.059 0.109 0.000 0.903 439 L HN 0.331 nan 8.230 nan 0.000 0.435 440 E N -0.231 120.010 120.200 0.068 0.000 2.489 440 E HA -0.042 4.307 4.350 -0.001 0.000 0.193 440 E C 0.578 177.211 176.600 0.056 0.000 1.057 440 E CA -0.091 56.347 56.400 0.063 0.000 0.866 440 E CB 0.276 30.008 29.700 0.054 0.000 0.916 440 E HN 0.218 nan 8.360 nan 0.000 0.500 441 K N 1.933 122.367 120.400 0.056 0.000 2.349 441 K HA 0.245 4.565 4.320 -0.001 0.000 0.289 441 K C -0.470 176.162 176.600 0.054 0.000 1.064 441 K CA -0.308 56.010 56.287 0.051 0.000 0.947 441 K CB 0.646 33.177 32.500 0.053 0.000 1.007 441 K HN -0.088 nan 8.250 nan 0.000 0.478 442 A N 5.329 128.175 122.820 0.043 0.000 2.511 442 A HA 0.268 4.587 4.320 -0.001 0.000 0.242 442 A C -0.465 177.134 177.584 0.026 0.000 1.069 442 A CA -0.065 51.995 52.037 0.038 0.000 0.763 442 A CB 0.093 19.116 19.000 0.039 0.000 1.001 442 A HN 0.776 nan 8.150 nan 0.000 0.498 443 L N 2.108 123.334 121.223 0.006 0.000 2.370 443 L HA 0.379 4.719 4.340 -0.001 0.000 0.266 443 L C -0.765 176.071 176.870 -0.057 0.000 1.002 443 L CA -0.982 53.845 54.840 -0.022 0.000 0.818 443 L CB 2.111 44.145 42.059 -0.042 0.000 1.325 443 L HN 0.611 nan 8.230 nan 0.000 0.418 444 D N 1.590 121.954 120.400 -0.060 0.000 2.264 444 D HA 0.399 5.038 4.640 -0.001 0.000 0.250 444 D C -0.373 175.862 176.300 -0.108 0.000 1.113 444 D CA -0.031 53.933 54.000 -0.060 0.000 0.871 444 D CB 1.703 42.464 40.800 -0.065 0.000 1.167 444 D HN 0.573 nan 8.370 nan 0.000 0.447 445 C N 0.982 120.220 119.300 -0.104 0.000 3.259 445 C HA 0.748 5.207 4.460 -0.001 0.000 0.328 445 C C -0.741 174.205 174.990 -0.072 0.000 1.425 445 C CA -0.871 58.061 59.018 -0.143 0.000 1.465 445 C CB 1.658 29.259 27.740 -0.232 0.000 1.890 445 C HN 0.614 nan 8.230 nan 0.000 0.450 446 Q N 0.398 120.156 119.800 -0.070 0.000 2.323 446 Q HA 0.797 5.136 4.340 -0.001 0.000 0.271 446 Q C -1.812 174.175 176.000 -0.020 0.000 1.048 446 Q CA -0.489 55.308 55.803 -0.010 0.000 0.792 446 Q CB 1.582 30.318 28.738 -0.002 0.000 1.280 446 Q HN 0.814 nan 8.270 nan 0.000 0.441 447 I N 4.118 124.694 120.570 0.011 0.000 2.478 447 I HA 0.240 4.409 4.170 -0.001 0.000 0.287 447 I C -0.729 175.472 176.117 0.140 0.000 1.042 447 I CA -0.676 60.576 61.300 -0.081 0.000 1.067 447 I CB 1.394 39.093 38.000 -0.502 0.000 1.233 447 I HN 0.871 nan 8.210 nan 0.000 0.431 448 Y N 5.110 125.489 120.300 0.132 0.000 3.305 448 Y HA -0.322 4.228 4.550 -0.001 0.000 0.212 448 Y C 1.602 177.499 175.900 -0.006 0.000 1.248 448 Y CA 0.269 58.429 58.100 0.100 0.000 1.359 448 Y CB -1.159 37.379 38.460 0.131 0.000 1.407 448 Y HN 1.054 nan 8.280 nan 0.000 0.572 449 G N -1.338 107.572 108.800 0.184 0.000 2.267 449 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.257 449 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.257 449 G C 0.210 175.165 174.900 0.092 0.000 0.998 449 G CA 0.110 45.273 45.100 0.105 0.000 0.620 449 G HN 1.396 nan 8.290 nan 0.000 0.529 450 A N -0.503 122.395 122.820 0.130 0.000 2.310 450 A HA 0.635 4.955 4.320 -0.001 0.000 0.299 450 A C 0.673 178.175 177.584 -0.137 0.000 1.147 450 A CA 0.408 52.410 52.037 -0.058 0.000 0.818 450 A CB 0.958 19.906 19.000 -0.086 0.000 1.096 450 A HN 1.607 nan 8.150 nan 0.000 0.495 451 C N 2.982 122.112 119.300 -0.284 0.000 2.415 451 C HA 0.732 5.191 4.460 -0.001 0.000 0.369 451 C C -0.981 173.738 174.990 -0.451 0.000 1.279 451 C CA -0.443 58.458 59.018 -0.195 0.000 1.886 451 C CB -1.548 26.165 27.740 -0.046 0.000 2.468 451 C HN 0.633 nan 8.230 nan 0.000 0.553 452 Y N 3.089 123.230 120.300 -0.264 0.000 2.446 452 Y HA 0.468 5.017 4.550 -0.001 0.000 0.345 452 Y C 0.441 176.233 175.900 -0.180 0.000 0.984 452 Y CA -0.374 57.526 58.100 -0.333 0.000 1.058 452 Y CB 1.847 40.025 38.460 -0.470 0.000 1.220 452 Y HN 0.614 nan 8.280 nan 0.000 0.455 453 S N 3.993 119.701 115.700 0.013 0.000 2.420 453 S HA 0.739 5.208 4.470 -0.001 0.000 0.313 453 S C -0.961 173.677 174.600 0.063 0.000 1.079 453 S CA -0.285 57.953 58.200 0.065 0.000 1.104 453 S CB -0.471 62.814 63.200 0.142 0.000 0.969 453 S HN 0.541 nan 8.310 nan 0.000 0.471 454 I N 3.704 124.295 120.570 0.036 0.000 2.619 454 I HA 0.358 4.528 4.170 -0.001 0.000 0.292 454 I C -0.438 175.702 176.117 0.038 0.000 1.100 454 I CA -0.668 60.664 61.300 0.053 0.000 1.043 454 I CB 2.409 40.442 38.000 0.056 0.000 1.239 454 I HN 0.532 nan 8.210 nan 0.000 0.420 455 E N 7.103 127.342 120.200 0.064 0.000 2.167 455 E HA 0.177 4.526 4.350 -0.001 0.000 0.284 455 E C -1.647 175.010 176.600 0.095 0.000 1.016 455 E CA -1.627 54.815 56.400 0.070 0.000 0.817 455 E CB 1.059 30.802 29.700 0.072 0.000 1.080 455 E HN 0.343 nan 8.360 nan 0.000 0.397 456 P HA -0.205 nan 4.420 nan 0.000 0.218 456 P C 1.153 178.612 177.300 0.264 0.000 1.146 456 P CA 1.124 64.316 63.100 0.153 0.000 0.813 456 P CB 0.261 31.983 31.700 0.037 0.000 0.778 457 L N -0.210 121.137 121.223 0.206 0.000 2.265 457 L HA -0.110 4.229 4.340 -0.001 0.000 0.215 457 L C 1.830 178.804 176.870 0.173 0.000 1.117 457 L CA 1.227 56.201 54.840 0.224 0.000 0.782 457 L CB -0.739 41.412 42.059 0.153 0.000 0.914 457 L HN -0.046 nan 8.230 nan 0.000 0.441 458 D N -0.537 119.949 120.400 0.144 0.000 2.349 458 D HA -0.046 4.593 4.640 -0.001 0.000 0.215 458 D C 2.096 178.467 176.300 0.118 0.000 1.016 458 D CA 0.206 54.265 54.000 0.099 0.000 0.870 458 D CB 0.404 41.249 40.800 0.075 0.000 0.917 458 D HN 0.136 nan 8.370 nan 0.000 0.524 459 L N 1.278 122.619 121.223 0.196 0.000 2.021 459 L HA -0.156 4.183 4.340 -0.001 0.000 0.215 459 L C -0.555 176.430 176.870 0.191 0.000 1.074 459 L CA 2.073 57.049 54.840 0.226 0.000 0.760 459 L CB -1.900 40.377 42.059 0.363 0.000 0.889 459 L HN 0.046 nan 8.230 nan 0.000 0.433 460 P HA -0.202 nan 4.420 nan 0.000 0.214 460 P C 1.594 178.950 177.300 0.093 0.000 1.163 460 P CA 1.380 64.521 63.100 0.068 0.000 0.889 460 P CB 0.053 31.664 31.700 -0.148 0.000 0.790 461 Q N -0.881 118.921 119.800 0.002 0.000 2.046 461 Q HA -0.084 4.255 4.340 -0.001 0.000 0.200 461 Q C 2.227 178.212 176.000 -0.024 0.000 0.975 461 Q CA 1.283 57.068 55.803 -0.029 0.000 0.836 461 Q CB -1.091 27.610 28.738 -0.061 0.000 0.896 461 Q HN 0.251 nan 8.270 nan 0.000 0.428 462 I N 0.162 120.720 120.570 -0.019 0.000 2.163 462 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 462 I C 2.054 178.164 176.117 -0.013 0.000 1.085 462 I CA 1.313 62.566 61.300 -0.078 0.000 1.347 462 I CB -0.366 37.635 38.000 0.002 0.000 1.044 462 I HN 0.199 nan 8.210 nan 0.000 0.408 463 I N 0.413 121.049 120.570 0.110 0.000 2.179 463 I HA -0.304 3.866 4.170 -0.001 0.000 0.242 463 I C 2.656 178.790 176.117 0.029 0.000 1.088 463 I CA 1.513 62.897 61.300 0.141 0.000 1.357 463 I CB -0.474 37.636 38.000 0.183 0.000 1.051 463 I HN 0.326 nan 8.210 nan 0.000 0.409 464 E N 1.178 121.426 120.200 0.079 0.000 2.058 464 E HA -0.249 4.100 4.350 -0.001 0.000 0.194 464 E C 2.421 179.003 176.600 -0.029 0.000 0.997 464 E CA 1.183 57.607 56.400 0.040 0.000 0.801 464 E CB 0.081 29.868 29.700 0.144 0.000 0.746 464 E HN 0.280 nan 8.360 nan 0.000 0.450 465 R N -0.109 120.354 120.500 -0.062 0.000 2.096 465 R HA -0.115 4.224 4.340 -0.001 0.000 0.235 465 R C 2.380 178.604 176.300 -0.126 0.000 1.127 465 R CA 0.751 56.787 56.100 -0.106 0.000 0.968 465 R CB -0.419 29.778 30.300 -0.171 0.000 0.861 465 R HN 0.252 nan 8.270 nan 0.000 0.440 466 L N -0.670 120.456 121.223 -0.163 0.000 2.127 466 L HA -0.063 4.276 4.340 -0.001 0.000 0.203 466 L C 2.039 178.652 176.870 -0.429 0.000 1.080 466 L CA 1.576 56.252 54.840 -0.274 0.000 0.768 466 L CB -0.410 41.448 42.059 -0.334 0.000 0.924 466 L HN 0.213 nan 8.230 nan 0.000 0.444 467 H N -1.471 117.541 119.070 -0.096 0.000 2.740 467 H HA 0.471 5.026 4.556 -0.001 0.000 0.265 467 H C 0.881 176.128 175.328 -0.136 0.000 0.978 467 H CA 0.673 56.647 56.048 -0.125 0.000 1.198 467 H CB 0.603 30.264 29.762 -0.168 0.000 1.467 467 H HN 0.230 nan 8.280 nan 0.000 0.511 468 G N 1.099 109.872 108.800 -0.045 0.000 2.699 468 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.686 468 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.686 468 G C 0.321 175.159 174.900 -0.104 0.000 1.301 468 G CA -0.201 44.870 45.100 -0.048 0.000 0.816 468 G HN 0.167 nan 8.290 nan 0.000 0.595 469 L N 1.601 122.818 121.223 -0.010 0.000 2.261 469 L HA -0.013 4.327 4.340 -0.001 0.000 0.216 469 L C 3.145 180.010 176.870 -0.008 0.000 1.114 469 L CA 3.104 57.993 54.840 0.081 0.000 0.777 469 L CB -0.621 41.551 42.059 0.189 0.000 0.910 469 L HN 1.325 nan 8.230 nan 0.000 0.440 470 S N -1.322 114.345 115.700 -0.054 0.000 2.440 470 S HA -0.165 4.305 4.470 -0.001 0.000 0.238 470 S C 2.100 176.608 174.600 -0.153 0.000 1.010 470 S CA 0.785 58.946 58.200 -0.065 0.000 0.972 470 S CB -0.697 62.465 63.200 -0.064 0.000 0.774 470 S HN 0.418 nan 8.310 nan 0.000 0.501 471 A N 0.837 123.464 122.820 -0.321 0.000 2.070 471 A HA 0.193 4.512 4.320 -0.001 0.000 0.220 471 A C 1.593 178.979 177.584 -0.331 0.000 1.159 471 A CA 0.842 52.628 52.037 -0.419 0.000 0.656 471 A CB -0.909 17.749 19.000 -0.570 0.000 0.800 471 A HN 0.680 nan 8.150 nan 0.000 0.453 472 F N -0.941 119.033 119.950 0.040 0.000 2.732 472 F HA 0.156 4.683 4.527 -0.001 0.000 0.303 472 F C 1.530 177.378 175.800 0.080 0.000 1.110 472 F CA 0.368 58.415 58.000 0.078 0.000 1.355 472 F CB 0.494 39.570 39.000 0.127 0.000 1.081 472 F HN 0.099 nan 8.300 nan 0.000 0.565 473 S N -0.433 115.362 115.700 0.158 0.000 2.817 473 S HA 0.275 4.744 4.470 -0.001 0.000 0.262 473 S C 0.459 175.119 174.600 0.099 0.000 1.051 473 S CA -0.372 57.913 58.200 0.142 0.000 1.185 473 S CB 0.368 63.643 63.200 0.124 0.000 1.152 473 S HN 0.021 nan 8.310 nan 0.000 0.653 474 L N 3.346 124.547 121.223 -0.035 0.000 2.506 474 L HA 0.224 4.564 4.340 -0.001 0.000 0.281 474 L C 0.520 177.299 176.870 -0.151 0.000 1.228 474 L CA 0.562 55.270 54.840 -0.220 0.000 0.850 474 L CB 0.001 41.788 42.059 -0.452 0.000 1.110 474 L HN 0.549 nan 8.230 nan 0.000 0.496 475 H N -1.735 117.119 119.070 -0.361 0.000 2.918 475 H HA 0.342 4.898 4.556 -0.001 0.000 0.303 475 H C -0.420 174.733 175.328 -0.293 0.000 1.380 475 H CA -0.775 55.126 56.048 -0.245 0.000 1.134 475 H CB 0.927 30.657 29.762 -0.054 0.000 1.842 475 H HN 0.383 nan 8.280 nan 0.000 0.533 476 S N -0.087 115.612 115.700 -0.002 0.000 3.527 476 S HA -0.223 4.246 4.470 -0.001 0.000 0.409 476 S C -0.713 173.837 174.600 -0.084 0.000 0.900 476 S CA 0.486 58.659 58.200 -0.045 0.000 1.320 476 S CB -2.252 60.794 63.200 -0.257 0.000 0.915 476 S HN 0.508 nan 8.310 nan 0.000 0.575 477 Y N 1.534 121.852 120.300 0.029 0.000 2.281 477 Y HA 0.355 4.904 4.550 -0.001 0.000 0.337 477 Y C 1.374 177.321 175.900 0.078 0.000 1.304 477 Y CA 0.203 58.337 58.100 0.057 0.000 1.465 477 Y CB 0.400 38.891 38.460 0.052 0.000 1.350 477 Y HN 0.546 nan 8.280 nan 0.000 0.575 478 S N 0.996 116.850 115.700 0.256 0.000 2.576 478 S HA 0.143 4.612 4.470 -0.001 0.000 0.276 478 S C -2.060 172.625 174.600 0.141 0.000 1.339 478 S CA -1.088 57.207 58.200 0.159 0.000 1.039 478 S CB 1.215 64.490 63.200 0.124 0.000 0.902 478 S HN 0.426 nan 8.310 nan 0.000 0.516 479 P HA -0.014 nan 4.420 nan 0.000 0.216 479 P C 1.686 179.030 177.300 0.072 0.000 1.150 479 P CA 1.623 64.770 63.100 0.079 0.000 0.843 479 P CB -0.387 31.348 31.700 0.059 0.000 0.787 480 G N -0.109 108.732 108.800 0.069 0.000 2.421 480 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.216 480 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.216 480 G C 1.661 176.599 174.900 0.063 0.000 1.171 480 G CA 0.895 46.028 45.100 0.055 0.000 0.775 480 G HN 0.261 nan 8.290 nan 0.000 0.543 481 E N 0.636 120.894 120.200 0.097 0.000 2.047 481 E HA -0.031 4.318 4.350 -0.001 0.000 0.191 481 E C 2.449 179.099 176.600 0.084 0.000 0.987 481 E CA 0.699 57.167 56.400 0.114 0.000 0.799 481 E CB -0.401 29.425 29.700 0.211 0.000 0.752 481 E HN 0.482 nan 8.360 nan 0.000 0.449 482 I N 0.944 121.570 120.570 0.092 0.000 2.163 482 I HA -0.320 3.849 4.170 -0.001 0.000 0.243 482 I C 1.936 178.079 176.117 0.044 0.000 1.085 482 I CA 1.290 62.626 61.300 0.061 0.000 1.347 482 I CB -0.463 37.588 38.000 0.084 0.000 1.044 482 I HN 0.192 nan 8.210 nan 0.000 0.408 483 N N 0.616 119.343 118.700 0.046 0.000 2.223 483 N HA -0.197 4.543 4.740 -0.001 0.000 0.185 483 N C 1.889 177.410 175.510 0.019 0.000 1.016 483 N CA 1.064 54.134 53.050 0.033 0.000 0.863 483 N CB -0.423 38.084 38.487 0.033 0.000 0.983 483 N HN 0.376 nan 8.380 nan 0.000 0.429 484 R N 0.948 121.457 120.500 0.015 0.000 2.075 484 R HA -0.029 4.310 4.340 -0.001 0.000 0.232 484 R C 1.883 178.165 176.300 -0.030 0.000 1.126 484 R CA 0.927 57.021 56.100 -0.010 0.000 0.963 484 R CB -0.094 30.195 30.300 -0.017 0.000 0.858 484 R HN -0.057 nan 8.270 nan 0.000 0.435 485 V N 1.022 120.925 119.914 -0.018 0.000 2.270 485 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 485 V C 2.482 178.572 176.094 -0.007 0.000 1.043 485 V CA 1.938 64.222 62.300 -0.028 0.000 1.014 485 V CB -0.806 31.024 31.823 0.012 0.000 0.645 485 V HN 0.562 nan 8.190 nan 0.000 0.447 486 A N -0.615 122.215 122.820 0.016 0.000 1.940 486 A HA -0.259 4.061 4.320 -0.001 0.000 0.219 486 A C 2.557 180.156 177.584 0.024 0.000 1.176 486 A CA 2.375 54.431 52.037 0.032 0.000 0.631 486 A CB -0.731 18.293 19.000 0.039 0.000 0.814 486 A HN 0.505 nan 8.150 nan 0.000 0.446 487 S N -1.358 114.350 115.700 0.013 0.000 2.371 487 S HA -0.181 4.288 4.470 -0.001 0.000 0.224 487 S C 2.096 176.699 174.600 0.006 0.000 1.029 487 S CA 1.438 59.646 58.200 0.012 0.000 0.978 487 S CB -0.918 62.286 63.200 0.008 0.000 0.833 487 S HN 0.799 nan 8.310 nan 0.000 0.466 488 C N 1.636 120.925 119.300 -0.017 0.000 2.425 488 C HA 0.061 4.520 4.460 -0.001 0.000 0.277 488 C C 2.489 177.470 174.990 -0.014 0.000 1.280 488 C CA 0.842 59.841 59.018 -0.032 0.000 1.744 488 C CB -1.757 25.928 27.740 -0.092 0.000 1.989 488 C HN 0.682 nan 8.230 nan 0.000 0.491 489 L N 0.210 121.431 121.223 -0.003 0.000 2.083 489 L HA -0.097 4.243 4.340 -0.001 0.000 0.209 489 L C 3.047 179.918 176.870 0.002 0.000 1.083 489 L CA 1.624 56.474 54.840 0.017 0.000 0.752 489 L CB -0.864 41.234 42.059 0.065 0.000 0.899 489 L HN 0.342 nan 8.230 nan 0.000 0.433 490 R N 0.247 120.759 120.500 0.019 0.000 2.092 490 R HA -0.160 4.179 4.340 -0.001 0.000 0.231 490 R C 2.391 178.733 176.300 0.070 0.000 1.119 490 R CA 1.114 57.233 56.100 0.031 0.000 0.970 490 R CB -0.205 30.123 30.300 0.046 0.000 0.864 490 R HN 0.276 nan 8.270 nan 0.000 0.440 491 K N 1.120 121.564 120.400 0.074 0.000 2.032 491 K HA -0.145 4.175 4.320 -0.001 0.000 0.209 491 K C 1.783 178.511 176.600 0.213 0.000 1.048 491 K CA 1.365 57.729 56.287 0.128 0.000 0.927 491 K CB -0.006 32.538 32.500 0.073 0.000 0.712 491 K HN 0.173 nan 8.250 nan 0.000 0.441 492 L N -0.544 120.715 121.223 0.061 0.000 2.509 492 L HA 0.128 4.467 4.340 -0.001 0.000 0.222 492 L C 0.955 177.603 176.870 -0.369 0.000 1.123 492 L CA 0.466 55.309 54.840 0.006 0.000 0.856 492 L CB 0.213 42.277 42.059 0.009 0.000 0.985 492 L HN 0.561 nan 8.230 nan 0.000 0.456 493 G N 0.840 109.271 108.800 -0.615 0.000 2.204 493 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.244 493 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.244 493 G C -0.102 174.627 174.900 -0.285 0.000 1.062 493 G CA -0.067 44.541 45.100 -0.820 0.000 0.798 493 G HN 0.074 nan 8.290 nan 0.000 0.496 494 V N 0.678 120.525 119.914 -0.111 0.000 2.481 494 V HA 0.459 4.579 4.120 -0.001 0.000 0.286 494 V C -1.327 174.831 176.094 0.106 0.000 1.042 494 V CA -1.684 60.652 62.300 0.060 0.000 0.928 494 V CB 1.646 33.548 31.823 0.131 0.000 0.986 494 V HN 0.163 nan 8.190 nan 0.000 0.462 495 P HA 0.104 nan 4.420 nan 0.000 0.266 495 P C -2.457 174.925 177.300 0.137 0.000 1.195 495 P CA -0.666 62.420 63.100 -0.022 0.000 0.768 495 P CB -0.117 31.380 31.700 -0.339 0.000 0.838 496 P HA 0.028 nan 4.420 nan 0.000 0.269 496 P C 0.964 178.410 177.300 0.245 0.000 1.215 496 P CA 0.057 63.243 63.100 0.144 0.000 0.780 496 P CB 0.771 32.512 31.700 0.069 0.000 0.898 497 L N 1.665 123.068 121.223 0.299 0.000 2.103 497 L HA -0.272 4.068 4.340 -0.001 0.000 0.215 497 L C 2.853 179.903 176.870 0.299 0.000 1.080 497 L CA 2.209 57.260 54.840 0.351 0.000 0.764 497 L CB -0.934 41.239 42.059 0.191 0.000 0.890 497 L HN 0.507 nan 8.230 nan 0.000 0.435 498 R N -0.424 120.187 120.500 0.185 0.000 2.120 498 R HA -0.104 4.235 4.340 -0.001 0.000 0.234 498 R C 1.960 178.340 176.300 0.133 0.000 1.123 498 R CA 1.427 57.620 56.100 0.155 0.000 0.975 498 R CB -0.963 29.392 30.300 0.092 0.000 0.866 498 R HN 0.149 nan 8.270 nan 0.000 0.446 499 V N 0.416 120.351 119.914 0.036 0.000 2.358 499 V HA -0.163 3.956 4.120 -0.001 0.000 0.246 499 V C 1.917 177.973 176.094 -0.063 0.000 1.047 499 V CA 1.674 63.911 62.300 -0.105 0.000 1.035 499 V CB -0.635 30.997 31.823 -0.318 0.000 0.658 499 V HN 0.384 nan 8.190 nan 0.000 0.452 500 W N 0.242 121.646 121.300 0.173 0.000 2.363 500 W HA -0.136 4.523 4.660 -0.001 0.000 0.296 500 W C 2.738 179.464 176.519 0.346 0.000 1.212 500 W CA 1.552 59.040 57.345 0.238 0.000 1.260 500 W CB -0.269 29.322 29.460 0.218 0.000 1.131 500 W HN 0.062 nan 8.180 nan 0.000 0.530 501 R N -0.265 120.574 120.500 0.565 0.000 2.096 501 R HA -0.217 4.122 4.340 -0.001 0.000 0.235 501 R C 2.323 178.774 176.300 0.251 0.000 1.127 501 R CA 1.827 58.242 56.100 0.524 0.000 0.968 501 R CB -0.910 29.666 30.300 0.459 0.000 0.861 501 R HN 0.280 nan 8.270 nan 0.000 0.440 502 H N 0.731 119.876 119.070 0.125 0.000 2.321 502 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 502 H C 1.884 177.216 175.328 0.006 0.000 1.087 502 H CA 1.909 57.976 56.048 0.031 0.000 1.319 502 H CB 0.148 29.907 29.762 -0.004 0.000 1.379 502 H HN 0.224 nan 8.280 nan 0.000 0.501 503 R N 0.112 120.691 120.500 0.131 0.000 2.096 503 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 503 R C 2.599 178.895 176.300 -0.006 0.000 1.127 503 R CA 0.962 57.100 56.100 0.063 0.000 0.968 503 R CB -0.231 30.132 30.300 0.105 0.000 0.861 503 R HN 0.283 nan 8.270 nan 0.000 0.440 504 A N 1.264 124.122 122.820 0.064 0.000 1.933 504 A HA -0.185 4.134 4.320 -0.001 0.000 0.218 504 A C 2.067 179.435 177.584 -0.360 0.000 1.175 504 A CA 1.243 53.204 52.037 -0.127 0.000 0.628 504 A CB -0.354 18.629 19.000 -0.029 0.000 0.814 504 A HN 0.223 nan 8.150 nan 0.000 0.444 505 R N -0.661 119.666 120.500 -0.288 0.000 2.091 505 R HA -0.117 4.223 4.340 -0.001 0.000 0.238 505 R C 2.680 178.810 176.300 -0.283 0.000 1.136 505 R CA 1.542 57.462 56.100 -0.299 0.000 0.959 505 R CB -0.367 29.763 30.300 -0.283 0.000 0.856 505 R HN 0.590 nan 8.270 nan 0.000 0.437 506 S N 0.143 115.685 115.700 -0.264 0.000 2.345 506 S HA -0.098 4.371 4.470 -0.001 0.000 0.220 506 S C 2.043 176.511 174.600 -0.220 0.000 1.031 506 S CA 1.305 59.381 58.200 -0.207 0.000 0.996 506 S CB -0.167 62.938 63.200 -0.157 0.000 0.882 506 S HN 0.118 nan 8.310 nan 0.000 0.445 507 V N 2.590 122.335 119.914 -0.282 0.000 2.332 507 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 507 V C 2.743 178.567 176.094 -0.450 0.000 1.055 507 V CA 2.296 64.385 62.300 -0.353 0.000 1.038 507 V CB -0.891 30.638 31.823 -0.490 0.000 0.651 507 V HN 0.521 nan 8.190 nan 0.000 0.450 508 R N 0.375 120.537 120.500 -0.562 0.000 2.070 508 R HA -0.182 4.157 4.340 -0.001 0.000 0.233 508 R C 2.339 178.508 176.300 -0.218 0.000 1.137 508 R CA 1.876 57.733 56.100 -0.406 0.000 0.945 508 R CB -0.567 29.532 30.300 -0.335 0.000 0.845 508 R HN 0.451 nan 8.270 nan 0.000 0.430 509 A N 1.229 123.932 122.820 -0.195 0.000 1.908 509 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 509 A C 2.222 179.746 177.584 -0.099 0.000 1.181 509 A CA 1.500 53.459 52.037 -0.130 0.000 0.627 509 A CB -0.527 18.399 19.000 -0.124 0.000 0.818 509 A HN 0.377 nan 8.150 nan 0.000 0.445 510 R N -0.721 119.714 120.500 -0.108 0.000 2.073 510 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 510 R C 2.125 178.404 176.300 -0.036 0.000 1.134 510 R CA 1.491 57.552 56.100 -0.065 0.000 0.952 510 R CB -0.609 29.653 30.300 -0.062 0.000 0.850 510 R HN 0.535 nan 8.270 nan 0.000 0.433 511 L N 0.742 121.939 121.223 -0.044 0.000 2.046 511 L HA -0.193 4.146 4.340 -0.001 0.000 0.208 511 L C 2.480 179.354 176.870 0.006 0.000 1.077 511 L CA 1.159 56.006 54.840 0.011 0.000 0.747 511 L CB -0.451 41.621 42.059 0.022 0.000 0.896 511 L HN 0.193 nan 8.230 nan 0.000 0.432 512 L N -0.399 120.809 121.223 -0.024 0.000 2.042 512 L HA -0.218 4.121 4.340 -0.001 0.000 0.210 512 L C 2.881 179.744 176.870 -0.012 0.000 1.076 512 L CA 1.614 56.442 54.840 -0.020 0.000 0.749 512 L CB -0.718 41.316 42.059 -0.042 0.000 0.893 512 L HN 0.414 nan 8.230 nan 0.000 0.432 513 S N -0.742 114.947 115.700 -0.019 0.000 2.419 513 S HA -0.246 4.224 4.470 -0.001 0.000 0.233 513 S C 1.752 176.352 174.600 0.001 0.000 1.016 513 S CA 1.002 59.194 58.200 -0.013 0.000 0.974 513 S CB -0.359 62.830 63.200 -0.019 0.000 0.786 513 S HN 0.525 nan 8.310 nan 0.000 0.492 514 Q N 1.186 120.993 119.800 0.011 0.000 2.444 514 Q HA 0.295 4.635 4.340 -0.001 0.000 0.206 514 Q C 1.384 177.399 176.000 0.026 0.000 0.948 514 Q CA 0.106 55.923 55.803 0.022 0.000 0.946 514 Q CB -0.262 28.498 28.738 0.037 0.000 1.027 514 Q HN 0.743 nan 8.270 nan 0.000 0.513 515 G N 0.628 109.441 108.800 0.021 0.000 2.622 515 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.272 515 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.272 515 G C 0.526 175.446 174.900 0.034 0.000 1.308 515 G CA -0.126 44.987 45.100 0.023 0.000 0.919 515 G HN 0.718 nan 8.290 nan 0.000 0.565 516 G N -1.221 107.598 108.800 0.031 0.000 2.578 516 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.284 516 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.284 516 G C 1.168 176.095 174.900 0.044 0.000 1.283 516 G CA 1.364 46.484 45.100 0.035 0.000 0.944 516 G HN 1.373 nan 8.290 nan 0.000 0.558 517 R N 0.047 120.576 120.500 0.049 0.000 2.127 517 R HA -0.051 4.288 4.340 -0.001 0.000 0.238 517 R C 3.192 179.546 176.300 0.090 0.000 1.134 517 R CA 1.967 58.103 56.100 0.060 0.000 0.975 517 R CB -0.625 29.713 30.300 0.064 0.000 0.865 517 R HN 0.690 nan 8.270 nan 0.000 0.447 518 A N 1.200 124.081 122.820 0.100 0.000 1.902 518 A HA -0.119 4.201 4.320 -0.001 0.000 0.217 518 A C 2.371 180.016 177.584 0.102 0.000 1.181 518 A CA 1.685 53.802 52.037 0.132 0.000 0.623 518 A CB -0.531 18.538 19.000 0.116 0.000 0.818 518 A HN 0.394 nan 8.150 nan 0.000 0.443 519 A N -1.069 121.792 122.820 0.068 0.000 1.933 519 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 519 A C 2.269 179.891 177.584 0.063 0.000 1.175 519 A CA 2.198 54.264 52.037 0.049 0.000 0.628 519 A CB -1.201 17.819 19.000 0.033 0.000 0.814 519 A HN 0.429 nan 8.150 nan 0.000 0.444 520 T N -0.740 113.860 114.554 0.076 0.000 2.746 520 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 520 T C 1.895 176.655 174.700 0.101 0.000 1.039 520 T CA 1.568 63.733 62.100 0.109 0.000 1.142 520 T CB -0.671 68.213 68.868 0.026 0.000 0.866 520 T HN 0.585 nan 8.240 nan 0.000 0.444 521 C N 1.319 120.659 119.300 0.065 0.000 2.432 521 C HA 0.032 4.491 4.460 -0.001 0.000 0.277 521 C C 3.110 178.117 174.990 0.028 0.000 1.249 521 C CA 0.527 59.552 59.018 0.011 0.000 1.725 521 C CB -1.520 26.253 27.740 0.054 0.000 2.028 521 C HN 0.727 nan 8.230 nan 0.000 0.477 522 G N 0.100 108.945 108.800 0.075 0.000 2.421 522 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.216 522 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.216 522 G C 1.643 176.576 174.900 0.054 0.000 1.171 522 G CA 1.153 46.312 45.100 0.099 0.000 0.775 522 G HN 0.639 nan 8.290 nan 0.000 0.543 523 K N -0.869 119.531 120.400 0.000 0.000 2.025 523 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 523 K C 2.232 178.685 176.600 -0.245 0.000 1.049 523 K CA 1.171 57.392 56.287 -0.111 0.000 0.933 523 K CB -0.258 32.177 32.500 -0.109 0.000 0.714 523 K HN 0.399 nan 8.250 nan 0.000 0.438 524 Y N 0.762 120.886 120.300 -0.293 0.000 2.231 524 Y HA 0.015 4.565 4.550 -0.001 0.000 0.294 524 Y C 2.050 177.645 175.900 -0.508 0.000 1.120 524 Y CA 0.738 58.483 58.100 -0.592 0.000 1.141 524 Y CB -0.123 37.695 38.460 -1.071 0.000 1.022 524 Y HN -0.059 nan 8.280 nan 0.000 0.523 525 L N -1.662 119.423 121.223 -0.231 0.000 2.201 525 L HA -0.151 4.188 4.340 -0.001 0.000 0.212 525 L C 0.700 177.295 176.870 -0.458 0.000 1.105 525 L CA 1.392 56.055 54.840 -0.295 0.000 0.775 525 L CB -0.371 41.338 42.059 -0.583 0.000 0.913 525 L HN 0.185 nan 8.230 nan 0.000 0.440 526 F N -1.560 118.321 119.950 -0.114 0.000 2.735 526 F HA 0.169 4.695 4.527 -0.001 0.000 0.304 526 F C 1.525 177.012 175.800 -0.523 0.000 1.119 526 F CA -0.355 57.392 58.000 -0.421 0.000 1.280 526 F CB -0.361 38.388 39.000 -0.418 0.000 0.994 526 F HN -0.069 nan 8.300 nan 0.000 0.520 527 N N 0.963 119.575 118.700 -0.147 0.000 2.381 527 N HA -0.180 4.559 4.740 -0.001 0.000 0.182 527 N C 1.928 177.400 175.510 -0.063 0.000 1.025 527 N CA 1.407 54.388 53.050 -0.115 0.000 0.888 527 N CB -0.123 38.317 38.487 -0.078 0.000 0.965 527 N HN 0.521 nan 8.380 nan 0.000 0.438 528 W N -0.959 120.378 121.300 0.062 0.000 2.595 528 W HA 0.244 4.903 4.660 -0.001 0.000 0.257 528 W C 1.050 177.623 176.519 0.089 0.000 1.267 528 W CA 0.505 57.895 57.345 0.074 0.000 1.300 528 W CB -0.659 28.855 29.460 0.089 0.000 1.120 528 W HN 0.047 nan 8.180 nan 0.000 0.618 529 A N 1.492 123.908 122.820 -0.673 0.000 2.218 529 A HA 0.241 4.561 4.320 -0.001 0.000 0.209 529 A C 0.952 178.399 177.584 -0.228 0.000 1.168 529 A CA 0.784 52.469 52.037 -0.587 0.000 0.804 529 A CB -0.754 17.659 19.000 -0.978 0.000 0.834 529 A HN 0.077 nan 8.150 nan 0.000 0.482 530 V N -2.802 117.014 119.914 -0.163 0.000 2.716 530 V HA 0.366 4.486 4.120 -0.001 0.000 0.304 530 V C 1.221 177.288 176.094 -0.044 0.000 1.053 530 V CA -0.574 61.664 62.300 -0.102 0.000 0.984 530 V CB 1.515 33.272 31.823 -0.110 0.000 1.021 530 V HN 0.327 nan 8.190 nan 0.000 0.467 531 K N 0.937 121.315 120.400 -0.038 0.000 2.007 531 K HA -0.058 4.262 4.320 -0.001 0.000 0.206 531 K C 1.010 177.592 176.600 -0.029 0.000 1.047 531 K CA 1.690 57.965 56.287 -0.021 0.000 0.937 531 K CB 0.029 32.518 32.500 -0.019 0.000 0.718 531 K HN 0.842 nan 8.250 nan 0.000 0.438 532 T N 1.655 116.186 114.554 -0.038 0.000 2.801 532 T HA 0.286 4.635 4.350 -0.001 0.000 0.306 532 T C -0.847 173.824 174.700 -0.049 0.000 1.020 532 T CA -0.811 61.265 62.100 -0.040 0.000 0.948 532 T CB 0.847 69.693 68.868 -0.037 0.000 0.962 532 T HN -0.005 nan 8.240 nan 0.000 0.465 533 K N 3.143 123.515 120.400 -0.047 0.000 2.180 533 K HA 0.530 4.850 4.320 -0.001 0.000 0.251 533 K C -0.051 176.510 176.600 -0.065 0.000 1.014 533 K CA -0.395 55.859 56.287 -0.055 0.000 0.913 533 K CB 0.266 32.741 32.500 -0.041 0.000 1.008 533 K HN 0.397 nan 8.250 nan 0.000 0.490 534 L N 1.821 122.991 121.223 -0.089 0.000 2.416 534 L HA 0.262 4.602 4.340 -0.001 0.000 0.263 534 L C 1.623 178.437 176.870 -0.094 0.000 1.065 534 L CA -0.152 54.627 54.840 -0.102 0.000 0.798 534 L CB 0.604 42.573 42.059 -0.151 0.000 1.267 534 L HN 0.633 nan 8.230 nan 0.000 0.467 535 K N 1.115 121.465 120.400 -0.085 0.000 2.001 535 K HA -0.031 4.288 4.320 -0.001 0.000 0.208 535 K C -0.055 176.505 176.600 -0.066 0.000 1.048 535 K CA 0.928 57.182 56.287 -0.056 0.000 0.932 535 K CB -0.469 32.011 32.500 -0.034 0.000 0.715 535 K HN 0.456 nan 8.250 nan 0.000 0.437 536 L N 2.028 123.169 121.223 -0.136 0.000 2.648 536 L HA -0.122 4.217 4.340 -0.001 0.000 0.643 536 L C -0.994 175.908 176.870 0.055 0.000 1.007 536 L CA 0.273 55.007 54.840 -0.177 0.000 1.346 536 L CB -1.328 40.646 42.059 -0.143 0.000 1.929 536 L HN 0.409 nan 8.230 nan 0.000 0.915 537 T N 3.260 117.902 114.554 0.146 0.000 2.940 537 T HA 0.597 4.946 4.350 -0.001 0.000 0.288 537 T C -2.233 172.619 174.700 0.254 0.000 1.033 537 T CA -1.364 60.839 62.100 0.171 0.000 1.033 537 T CB 2.068 71.002 68.868 0.110 0.000 1.079 537 T HN 0.233 nan 8.240 nan 0.000 0.496 538 P HA 0.116 nan 4.420 nan 0.000 0.269 538 P C -0.754 176.575 177.300 0.048 0.000 1.205 538 P CA 0.119 63.281 63.100 0.104 0.000 0.780 538 P CB 0.291 32.028 31.700 0.062 0.000 0.858 539 I N 3.467 124.005 120.570 -0.054 0.000 2.321 539 I HA 0.284 4.454 4.170 -0.001 0.000 0.291 539 I C -1.170 174.905 176.117 -0.071 0.000 0.998 539 I CA -1.866 59.357 61.300 -0.129 0.000 1.227 539 I CB 0.948 38.759 38.000 -0.315 0.000 1.368 539 I HN 0.344 nan 8.210 nan 0.000 0.466 547 L N 1.424 122.573 121.223 -0.124 0.000 2.305 547 L HA 0.731 5.071 4.340 -0.001 0.000 0.281 547 L C -0.640 176.096 176.870 -0.224 0.000 1.085 547 L CA 0.332 55.094 54.840 -0.130 0.000 0.813 547 L CB 1.541 43.559 42.059 -0.068 0.000 1.157 547 L HN 0.523 nan 8.230 nan 0.000 0.436 548 S N 3.800 119.339 115.700 -0.269 0.000 2.399 548 S HA 0.454 4.923 4.470 -0.001 0.000 0.215 548 S C 0.593 175.081 174.600 -0.187 0.000 1.456 548 S CA -0.269 57.657 58.200 -0.456 0.000 1.199 548 S CB 0.963 63.772 63.200 -0.652 0.000 1.063 548 S HN 0.882 nan 8.310 nan 0.000 0.476 549 G N 1.574 110.376 108.800 0.003 0.000 3.591 549 G HA2 0.207 4.167 3.960 -0.001 0.000 0.282 549 G HA3 0.207 4.167 3.960 -0.001 0.000 0.282 549 G C -0.218 174.777 174.900 0.158 0.000 1.238 549 G CA -0.354 44.771 45.100 0.042 0.000 0.993 549 G HN 0.458 nan 8.290 nan 0.000 0.542 550 W N -0.304 120.827 121.300 -0.281 0.000 2.215 550 W HA 0.608 5.268 4.660 -0.001 0.000 0.342 550 W C 0.727 177.031 176.519 -0.359 0.000 1.237 550 W CA -1.464 55.556 57.345 -0.541 0.000 1.283 550 W CB -0.495 28.229 29.460 -1.228 0.000 1.131 550 W HN 0.213 nan 8.180 nan 0.000 0.606 551 F N 0.379 120.517 119.950 0.314 0.000 2.695 551 F HA -0.249 4.277 4.527 -0.001 0.000 0.305 551 F C 0.458 176.401 175.800 0.239 0.000 1.044 551 F CA -0.178 58.012 58.000 0.316 0.000 1.049 551 F CB -1.588 37.547 39.000 0.225 0.000 1.267 551 F HN 0.089 nan 8.300 nan 0.000 0.828 552 V N -1.115 119.024 119.914 0.375 0.000 3.103 552 V HA 0.639 4.759 4.120 -0.001 0.000 0.229 552 V C 0.953 177.188 176.094 0.235 0.000 1.304 552 V CA 0.795 63.241 62.300 0.244 0.000 1.298 552 V CB 1.126 33.067 31.823 0.196 0.000 1.093 552 V HN 0.699 nan 8.190 nan 0.000 0.489 553 A N -0.502 122.407 122.820 0.148 0.000 2.609 553 A HA 0.793 5.112 4.320 -0.001 0.000 0.291 553 A C -0.290 176.916 177.584 -0.628 0.000 1.096 553 A CA 0.096 52.062 52.037 -0.120 0.000 0.684 553 A CB 1.249 20.026 19.000 -0.373 0.000 1.282 553 A HN 0.439 nan 8.150 nan 0.000 0.412 554 G N -1.078 107.034 108.800 -1.146 0.000 2.377 554 G HA2 0.536 4.495 3.960 -0.001 0.000 0.299 554 G HA3 0.536 4.495 3.960 -0.001 0.000 0.299 554 G C -0.861 173.378 174.900 -1.103 0.000 1.150 554 G CA -0.094 43.962 45.100 -1.740 0.000 0.847 554 G HN 0.606 nan 8.290 nan 0.000 0.501 555 Y N 1.015 121.113 120.300 -0.337 0.000 2.696 555 Y HA 0.288 4.838 4.550 -0.001 0.000 0.255 555 Y C 1.294 177.131 175.900 -0.106 0.000 1.103 555 Y CA -0.688 57.320 58.100 -0.154 0.000 1.126 555 Y CB 0.690 39.106 38.460 -0.073 0.000 1.197 555 Y HN 0.520 nan 8.280 nan 0.000 0.574 556 S N 0.923 116.603 115.700 -0.033 0.000 2.596 556 S HA 0.268 4.738 4.470 -0.001 0.000 0.298 556 S C 1.465 176.096 174.600 0.051 0.000 1.255 556 S CA 1.392 59.606 58.200 0.024 0.000 1.083 556 S CB -0.020 63.196 63.200 0.028 0.000 0.837 556 S HN 1.062 nan 8.310 nan 0.000 0.499 557 G N 3.608 112.440 108.800 0.053 0.000 2.175 557 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.265 557 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.265 557 G C 0.811 175.749 174.900 0.063 0.000 0.979 557 G CA 0.466 45.600 45.100 0.056 0.000 0.663 557 G HN 1.370 nan 8.290 nan 0.000 0.533 558 G N -0.276 108.568 108.800 0.072 0.000 2.985 558 G HA2 0.367 4.326 3.960 -0.001 0.000 0.209 558 G HA3 0.367 4.326 3.960 -0.001 0.000 0.209 558 G C 0.507 175.428 174.900 0.035 0.000 1.165 558 G CA 1.081 46.237 45.100 0.092 0.000 0.776 558 G HN 1.224 nan 8.290 nan 0.000 0.541 559 D N -0.503 119.888 120.400 -0.015 0.000 2.699 559 D HA -0.165 4.474 4.640 -0.001 0.000 0.239 559 D C -0.133 176.096 176.300 -0.118 0.000 1.136 559 D CA 0.342 54.303 54.000 -0.065 0.000 0.668 559 D CB -1.149 39.626 40.800 -0.042 0.000 1.060 559 D HN 0.102 nan 8.370 nan 0.000 0.429 560 I N 1.382 121.846 120.570 -0.177 0.000 2.441 560 I HA 0.407 4.576 4.170 -0.001 0.000 0.295 560 I C 0.038 175.906 176.117 -0.416 0.000 0.994 560 I CA -0.772 60.311 61.300 -0.362 0.000 1.144 560 I CB 1.223 38.879 38.000 -0.573 0.000 1.314 560 I HN 0.129 nan 8.210 nan 0.000 0.445 561 Y N 5.927 125.846 120.300 -0.636 0.000 2.499 561 Y HA 0.572 5.121 4.550 -0.001 0.000 0.347 561 Y C -0.714 174.719 175.900 -0.778 0.000 0.987 561 Y CA -0.354 57.377 58.100 -0.614 0.000 1.044 561 Y CB 1.459 39.694 38.460 -0.376 0.000 1.245 561 Y HN 0.534 nan 8.280 nan 0.000 0.461 562 H N 0.000 118.222 119.070 -1.414 0.000 2.539 562 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 562 H CA 0.000 55.423 56.048 -1.041 0.000 1.023 562 H CB 0.000 29.214 29.762 -0.913 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496