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 1jih_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSKFTWKELI QLGSPSKAYE SSLACIAHID MNAFFAQVEQ MRCGLSKEDP DATA SEQUENCE VVCVQWNSII AVSYAARKYG ISRMDTIQEA LKKCSNLIPI HTAVFKKGED DATA SEQUENCE FWQYHDGCGS WVQDPAKQIS VEDHKVSLEP YRRESRKALK IFKSACDLVE DATA SEQUENCE RASIDEVFLD LGRICFNMLM FDNEYELTGD LKLKDALSNI REAFIGGNYD DATA SEQUENCE INSHLPLIPE KIKSLKFEGD VFNPEGRDLI TDWDDVILAL GSQVCKGIRD DATA SEQUENCE SIKDILGYTT SCGLSSTKNV CKLASNYKKP DAQTIVKNDC LLDFLDCGKF DATA SEQUENCE EITSFWTLGG VLGKELIDVL DLPHENSIKH IRETWPDNAG QLKEFLDAKV DATA SEQUENCE KQSDYDRSTS NIDPLKTADL AEKLFKLSRG RYGLPLSSRP VVKSMMSNKN DATA SEQUENCE LRGKSCNSIV DCISWLEVFC AELTSRIQDL EQEYNKIVIP RTVSISLKTK DATA SEQUENCE SYEVYRKSGP VAYKGINFQS HELLKVGIKF VTDLDIKGKN KSYYPLTKLS DATA SEQUENCE MTITNFDII 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.373 176.300 0.122 0.000 1.140 1 M CA 0.000 55.367 55.300 0.111 0.000 0.988 1 M CB 0.000 32.664 32.600 0.106 0.000 1.302 2 S N 0.555 116.360 115.700 0.175 0.000 2.616 2 S HA 0.391 4.861 4.470 0.001 0.000 0.277 2 S C 0.947 175.598 174.600 0.086 0.000 1.234 2 S CA -0.327 57.961 58.200 0.147 0.000 1.028 2 S CB 0.989 64.371 63.200 0.303 0.000 0.988 2 S HN 0.722 nan 8.310 nan 0.000 0.522 3 K N 1.920 122.246 120.400 -0.124 0.000 2.439 3 K HA 0.060 4.381 4.320 0.001 0.000 0.197 3 K C -0.523 175.673 176.600 -0.673 0.000 1.041 3 K CA 0.628 56.704 56.287 -0.352 0.000 0.970 3 K CB -0.209 31.986 32.500 -0.509 0.000 0.773 3 K HN 0.422 nan 8.250 nan 0.000 0.479 4 F N 1.899 121.735 119.950 -0.190 0.000 2.432 4 F HA 0.267 4.795 4.527 0.001 0.000 0.329 4 F C 0.815 176.394 175.800 -0.368 0.000 1.076 4 F CA -0.923 56.927 58.000 -0.249 0.000 1.018 4 F CB 1.571 40.509 39.000 -0.104 0.000 1.201 4 F HN -0.038 nan 8.300 nan 0.000 0.489 5 T N -2.979 111.510 114.554 -0.108 0.000 2.948 5 T HA 0.217 4.568 4.350 0.001 0.000 0.285 5 T C 0.559 175.201 174.700 -0.097 0.000 1.019 5 T CA -0.630 61.416 62.100 -0.091 0.000 1.013 5 T CB 0.891 69.770 68.868 0.018 0.000 1.117 5 T HN 0.612 nan 8.240 nan 0.000 0.533 6 W N 0.565 121.838 121.300 -0.045 0.000 2.363 6 W HA 0.037 4.698 4.660 0.001 0.000 0.296 6 W C 2.743 179.220 176.519 -0.070 0.000 1.212 6 W CA 1.123 58.390 57.345 -0.131 0.000 1.260 6 W CB -0.041 29.322 29.460 -0.162 0.000 1.131 6 W HN 0.783 nan 8.180 nan 0.000 0.530 7 K N 1.021 121.549 120.400 0.213 0.000 2.063 7 K HA -0.251 4.070 4.320 0.001 0.000 0.208 7 K C 1.576 178.200 176.600 0.040 0.000 1.048 7 K CA 2.039 58.403 56.287 0.128 0.000 0.928 7 K CB -0.288 32.277 32.500 0.108 0.000 0.713 7 K HN 0.213 nan 8.250 nan 0.000 0.442 8 E N 0.398 120.602 120.200 0.007 0.000 2.150 8 E HA -0.178 4.172 4.350 0.001 0.000 0.193 8 E C 2.010 178.552 176.600 -0.098 0.000 0.985 8 E CA 0.732 57.106 56.400 -0.043 0.000 0.814 8 E CB -0.041 29.655 29.700 -0.006 0.000 0.752 8 E HN 0.204 nan 8.360 nan 0.000 0.466 9 L N 0.987 122.140 121.223 -0.118 0.000 2.044 9 L HA -0.060 4.281 4.340 0.001 0.000 0.205 9 L C 2.053 178.921 176.870 -0.003 0.000 1.075 9 L CA 1.431 56.190 54.840 -0.135 0.000 0.747 9 L CB -0.178 41.692 42.059 -0.316 0.000 0.903 9 L HN 0.047 nan 8.230 nan 0.000 0.435 10 I N -0.714 119.870 120.570 0.023 0.000 2.567 10 I HA -0.280 3.890 4.170 0.001 0.000 0.257 10 I C 2.430 178.422 176.117 -0.209 0.000 1.184 10 I CA 0.951 62.200 61.300 -0.085 0.000 1.451 10 I CB -0.281 37.774 38.000 0.091 0.000 1.089 10 I HN 0.477 nan 8.210 nan 0.000 0.441 11 Q N 0.881 120.609 119.800 -0.119 0.000 2.291 11 Q HA -0.165 4.175 4.340 0.001 0.000 0.206 11 Q C 2.270 178.173 176.000 -0.162 0.000 0.976 11 Q CA 1.031 56.757 55.803 -0.128 0.000 0.875 11 Q CB 0.073 28.747 28.738 -0.106 0.000 0.927 11 Q HN 0.569 nan 8.270 nan 0.000 0.450 12 L N -0.919 120.202 121.223 -0.170 0.000 2.191 12 L HA -0.097 4.244 4.340 0.001 0.000 0.212 12 L C 2.124 178.876 176.870 -0.198 0.000 1.103 12 L CA 0.947 55.705 54.840 -0.137 0.000 0.769 12 L CB -0.559 41.477 42.059 -0.038 0.000 0.908 12 L HN 0.325 nan 8.230 nan 0.000 0.438 13 G N -1.161 107.395 108.800 -0.406 0.000 2.776 13 G HA2 -0.121 3.839 3.960 0.001 0.000 0.209 13 G HA3 -0.121 3.839 3.960 0.001 0.000 0.209 13 G C 0.659 175.435 174.900 -0.207 0.000 1.145 13 G CA 0.196 45.049 45.100 -0.411 0.000 0.791 13 G HN 0.251 nan 8.290 nan 0.000 0.530 14 S N 0.130 115.738 115.700 -0.154 0.000 2.474 14 S HA 0.512 4.983 4.470 0.001 0.000 0.321 14 S C -1.393 173.177 174.600 -0.049 0.000 1.080 14 S CA -1.464 56.683 58.200 -0.089 0.000 1.106 14 S CB 2.013 65.163 63.200 -0.082 0.000 0.984 14 S HN -0.102 nan 8.310 nan 0.000 0.464 15 P HA -0.119 nan 4.420 nan 0.000 0.216 15 P C 1.474 178.795 177.300 0.036 0.000 1.150 15 P CA 1.207 64.309 63.100 0.002 0.000 0.837 15 P CB 0.066 31.766 31.700 0.001 0.000 0.786 16 S N -1.441 114.278 115.700 0.032 0.000 2.461 16 S HA 0.036 4.506 4.470 0.001 0.000 0.228 16 S C 1.545 176.213 174.600 0.113 0.000 1.005 16 S CA 0.716 58.963 58.200 0.078 0.000 0.942 16 S CB -0.511 62.715 63.200 0.043 0.000 0.776 16 S HN 0.158 nan 8.310 nan 0.000 0.514 17 K N 0.228 120.623 120.400 -0.010 0.000 2.402 17 K HA 0.460 4.781 4.320 0.001 0.000 0.204 17 K C 1.961 178.404 176.600 -0.261 0.000 1.056 17 K CA 0.463 56.646 56.287 -0.173 0.000 1.069 17 K CB 0.311 32.722 32.500 -0.148 0.000 0.888 17 K HN 0.330 nan 8.250 nan 0.000 0.546 18 A N 1.550 124.300 122.820 -0.116 0.000 1.948 18 A HA -0.233 4.087 4.320 0.001 0.000 0.220 18 A C 2.081 179.585 177.584 -0.135 0.000 1.177 18 A CA 1.593 53.564 52.037 -0.110 0.000 0.636 18 A CB -0.885 18.087 19.000 -0.046 0.000 0.815 18 A HN 0.551 nan 8.150 nan 0.000 0.449 19 Y N -0.471 119.771 120.300 -0.097 0.000 2.483 19 Y HA 0.009 4.560 4.550 0.001 0.000 0.291 19 Y C 1.642 177.473 175.900 -0.115 0.000 1.143 19 Y CA 1.307 59.336 58.100 -0.118 0.000 1.289 19 Y CB -0.498 37.873 38.460 -0.147 0.000 0.983 19 Y HN 0.410 nan 8.280 nan 0.000 0.556 20 E N 0.515 120.196 120.200 -0.866 0.000 2.371 20 E HA -0.017 4.334 4.350 0.001 0.000 0.194 20 E C 0.737 177.169 176.600 -0.281 0.000 1.012 20 E CA 0.379 56.405 56.400 -0.622 0.000 0.860 20 E CB 0.119 29.422 29.700 -0.662 0.000 0.811 20 E HN 0.331 nan 8.360 nan 0.000 0.502 21 S N -0.038 115.526 115.700 -0.227 0.000 2.576 21 S HA 0.028 4.498 4.470 0.001 0.000 0.276 21 S C 1.162 175.701 174.600 -0.101 0.000 1.339 21 S CA -0.171 57.945 58.200 -0.140 0.000 1.039 21 S CB 1.515 64.630 63.200 -0.141 0.000 0.902 21 S HN 0.070 nan 8.310 nan 0.000 0.516 22 S N 3.107 118.778 115.700 -0.048 0.000 2.453 22 S HA 0.091 4.562 4.470 0.001 0.000 0.231 22 S C 1.353 175.863 174.600 -0.150 0.000 1.005 22 S CA 0.688 58.895 58.200 0.011 0.000 0.949 22 S CB -0.482 62.876 63.200 0.263 0.000 0.774 22 S HN 0.738 nan 8.310 nan 0.000 0.510 23 L N 1.543 122.589 121.223 -0.295 0.000 2.612 23 L HA 0.361 4.702 4.340 0.001 0.000 0.230 23 L C 1.002 177.753 176.870 -0.199 0.000 1.140 23 L CA -0.315 54.293 54.840 -0.386 0.000 0.896 23 L CB -0.539 41.242 42.059 -0.462 0.000 1.065 23 L HN 0.238 nan 8.230 nan 0.000 0.447 24 A N -0.217 122.520 122.820 -0.137 0.000 2.531 24 A HA 0.048 4.369 4.320 0.001 0.000 0.236 24 A C -0.045 177.501 177.584 -0.064 0.000 1.062 24 A CA 0.042 52.026 52.037 -0.087 0.000 0.760 24 A CB 0.120 19.079 19.000 -0.068 0.000 0.995 24 A HN 0.379 nan 8.150 nan 0.000 0.501 25 C N 5.750 125.025 119.300 -0.041 0.000 2.362 25 C HA 0.604 5.064 4.460 0.001 0.000 0.309 25 C C -0.602 174.387 174.990 -0.002 0.000 1.110 25 C CA -0.839 58.166 59.018 -0.022 0.000 1.485 25 C CB -1.557 26.170 27.740 -0.023 0.000 1.949 25 C HN 0.629 nan 8.230 nan 0.000 0.419 26 I N 4.632 125.207 120.570 0.008 0.000 2.525 26 I HA 0.702 4.872 4.170 0.001 0.000 0.301 26 I C 0.505 176.663 176.117 0.067 0.000 0.992 26 I CA -0.286 61.036 61.300 0.037 0.000 1.162 26 I CB 1.396 39.412 38.000 0.026 0.000 1.332 26 I HN 0.729 nan 8.210 nan 0.000 0.458 27 A N 4.295 127.175 122.820 0.099 0.000 2.414 27 A HA 0.650 4.971 4.320 0.001 0.000 0.306 27 A C -1.403 176.242 177.584 0.101 0.000 1.054 27 A CA -0.452 51.632 52.037 0.079 0.000 0.724 27 A CB 1.209 20.221 19.000 0.020 0.000 1.267 27 A HN 0.804 nan 8.150 nan 0.000 0.418 28 H N 1.262 120.280 119.070 -0.087 0.000 2.589 28 H HA 0.700 5.256 4.556 0.001 0.000 0.335 28 H C -1.239 173.933 175.328 -0.259 0.000 1.019 28 H CA -0.433 55.418 56.048 -0.329 0.000 1.213 28 H CB 0.711 30.263 29.762 -0.350 0.000 1.472 28 H HN 0.516 nan 8.280 nan 0.000 0.508 29 I N 4.216 124.384 120.570 -0.670 0.000 2.406 29 I HA 0.230 4.401 4.170 0.001 0.000 0.290 29 I C -0.798 175.014 176.117 -0.509 0.000 0.999 29 I CA -0.752 60.293 61.300 -0.426 0.000 1.124 29 I CB 1.731 39.550 38.000 -0.301 0.000 1.289 29 I HN 0.572 nan 8.210 nan 0.000 0.441 30 D N 7.154 127.389 120.400 -0.275 0.000 2.629 30 D HA 0.400 5.040 4.640 0.001 0.000 0.250 30 D C -0.805 175.452 176.300 -0.072 0.000 1.126 30 D CA -0.471 53.404 54.000 -0.208 0.000 0.852 30 D CB 1.655 42.378 40.800 -0.128 0.000 1.335 30 D HN 0.362 nan 8.370 nan 0.000 0.518 31 M N 3.469 123.023 119.600 -0.078 0.000 2.664 31 M HA 0.221 4.702 4.480 0.001 0.000 0.332 31 M C 0.051 176.396 176.300 0.074 0.000 1.354 31 M CA -0.607 54.697 55.300 0.008 0.000 1.399 31 M CB 0.078 32.621 32.600 -0.095 0.000 1.224 31 M HN 0.159 nan 8.290 nan 0.000 0.479 32 N N 2.278 121.036 118.700 0.096 0.000 2.407 32 N HA 0.061 4.802 4.740 0.001 0.000 0.250 32 N C 0.784 176.436 175.510 0.237 0.000 1.236 32 N CA 0.491 53.642 53.050 0.168 0.000 0.879 32 N CB 0.666 39.247 38.487 0.155 0.000 1.088 32 N HN 0.822 nan 8.380 nan 0.000 0.450 33 A N 1.365 124.305 122.820 0.201 0.000 2.748 33 A HA -0.264 4.056 4.320 0.001 0.000 0.297 33 A C 1.163 178.834 177.584 0.144 0.000 1.508 33 A CA 0.647 52.754 52.037 0.117 0.000 0.799 33 A CB -2.265 16.812 19.000 0.129 0.000 1.011 33 A HN 0.681 nan 8.150 nan 0.000 0.500 34 F N -0.063 119.879 119.950 -0.014 0.000 2.063 34 F HA -0.234 4.294 4.527 0.001 0.000 0.298 34 F C 1.710 177.577 175.800 0.112 0.000 1.105 34 F CA 2.881 60.883 58.000 0.002 0.000 1.215 34 F CB -0.533 38.473 39.000 0.011 0.000 0.972 34 F HN 0.448 nan 8.300 nan 0.000 0.483 35 F N 0.426 120.159 119.950 -0.362 0.000 2.126 35 F HA -0.157 4.370 4.527 0.001 0.000 0.299 35 F C 2.642 178.251 175.800 -0.317 0.000 1.096 35 F CA 1.038 58.659 58.000 -0.631 0.000 1.255 35 F CB -1.804 36.747 39.000 -0.748 0.000 0.997 35 F HN 0.099 nan 8.300 nan 0.000 0.479 36 A N -0.554 122.276 122.820 0.018 0.000 1.897 36 A HA -0.176 4.145 4.320 0.001 0.000 0.215 36 A C 2.184 179.793 177.584 0.041 0.000 1.181 36 A CA 1.215 53.265 52.037 0.020 0.000 0.620 36 A CB -0.699 18.310 19.000 0.014 0.000 0.821 36 A HN 0.417 nan 8.150 nan 0.000 0.443 37 Q N -0.386 119.445 119.800 0.053 0.000 2.084 37 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 37 Q C 2.183 178.284 176.000 0.169 0.000 0.978 37 Q CA 1.663 57.550 55.803 0.141 0.000 0.844 37 Q CB -0.383 28.481 28.738 0.210 0.000 0.898 37 Q HN 0.500 nan 8.270 nan 0.000 0.426 38 V N 1.469 121.353 119.914 -0.051 0.000 2.295 38 V HA -0.235 3.885 4.120 0.001 0.000 0.246 38 V C 2.153 178.289 176.094 0.071 0.000 1.049 38 V CA 1.757 64.067 62.300 0.017 0.000 1.024 38 V CB -0.435 31.275 31.823 -0.188 0.000 0.648 38 V HN 0.313 nan 8.190 nan 0.000 0.447 39 E N -0.201 120.032 120.200 0.055 0.000 2.106 39 E HA -0.240 4.110 4.350 0.001 0.000 0.192 39 E C 2.152 178.747 176.600 -0.007 0.000 0.984 39 E CA 1.196 57.599 56.400 0.006 0.000 0.806 39 E CB -0.372 29.349 29.700 0.036 0.000 0.750 39 E HN 0.713 nan 8.360 nan 0.000 0.458 40 Q N -0.013 119.807 119.800 0.034 0.000 2.020 40 Q HA -0.156 4.184 4.340 0.001 0.000 0.202 40 Q C 1.978 177.994 176.000 0.026 0.000 0.982 40 Q CA 1.289 57.113 55.803 0.035 0.000 0.838 40 Q CB 0.023 28.801 28.738 0.067 0.000 0.899 40 Q HN 0.154 nan 8.270 nan 0.000 0.423 41 M N 0.227 119.861 119.600 0.057 0.000 2.175 41 M HA -0.125 4.355 4.480 0.001 0.000 0.264 41 M C 2.232 178.521 176.300 -0.019 0.000 1.063 41 M CA 1.452 56.757 55.300 0.009 0.000 1.119 41 M CB -1.075 31.513 32.600 -0.020 0.000 1.377 41 M HN 0.264 nan 8.290 nan 0.000 0.415 42 R N -0.469 120.017 120.500 -0.023 0.000 2.120 42 R HA -0.120 4.220 4.340 0.001 0.000 0.234 42 R C 1.371 177.618 176.300 -0.089 0.000 1.123 42 R CA 1.406 57.462 56.100 -0.072 0.000 0.975 42 R CB -0.041 30.170 30.300 -0.149 0.000 0.866 42 R HN 0.371 nan 8.270 nan 0.000 0.446 43 C N 0.565 119.819 119.300 -0.077 0.000 2.693 43 C HA 0.350 4.810 4.460 0.001 0.000 0.286 43 C C 0.968 175.938 174.990 -0.035 0.000 1.277 43 C CA 0.084 59.063 59.018 -0.064 0.000 1.705 43 C CB -0.537 27.166 27.740 -0.062 0.000 1.879 43 C HN 0.777 nan 8.230 nan 0.000 0.607 44 G N 1.524 110.306 108.800 -0.030 0.000 2.273 44 G HA2 -0.241 3.719 3.960 0.001 0.000 0.280 44 G HA3 -0.241 3.719 3.960 0.001 0.000 0.280 44 G C -0.145 174.749 174.900 -0.011 0.000 1.047 44 G CA 0.193 45.281 45.100 -0.021 0.000 0.869 44 G HN 0.567 nan 8.290 nan 0.000 0.502 45 L N -0.140 121.080 121.223 -0.005 0.000 2.365 45 L HA 0.787 5.128 4.340 0.001 0.000 0.267 45 L C 1.116 177.994 176.870 0.014 0.000 1.033 45 L CA -0.415 54.428 54.840 0.005 0.000 0.802 45 L CB 1.713 43.776 42.059 0.007 0.000 1.267 45 L HN 0.402 nan 8.230 nan 0.000 0.457 46 S N -0.955 114.758 115.700 0.021 0.000 2.747 46 S HA 0.278 4.748 4.470 0.001 0.000 0.300 46 S C 0.505 175.132 174.600 0.045 0.000 1.121 46 S CA -0.730 57.487 58.200 0.028 0.000 0.995 46 S CB 1.472 64.687 63.200 0.025 0.000 1.113 46 S HN 0.713 nan 8.310 nan 0.000 0.547 47 K N -0.211 120.220 120.400 0.052 0.000 2.515 47 K HA 0.050 4.371 4.320 0.001 0.000 0.196 47 K C 0.563 177.207 176.600 0.072 0.000 1.038 47 K CA 0.984 57.314 56.287 0.071 0.000 0.967 47 K CB -0.090 32.452 32.500 0.069 0.000 0.780 47 K HN 0.464 nan 8.250 nan 0.000 0.483 48 E N 1.248 121.483 120.200 0.059 0.000 2.472 48 E HA 0.062 4.413 4.350 0.001 0.000 0.196 48 E C -0.431 176.210 176.600 0.068 0.000 1.033 48 E CA 0.165 56.603 56.400 0.063 0.000 0.886 48 E CB 0.193 29.923 29.700 0.050 0.000 0.944 48 E HN 0.338 nan 8.360 nan 0.000 0.492 49 D N 2.778 123.211 120.400 0.055 0.000 2.390 49 D HA 0.054 4.694 4.640 0.001 0.000 0.249 49 D C -2.040 174.288 176.300 0.048 0.000 1.144 49 D CA -1.407 52.619 54.000 0.044 0.000 0.880 49 D CB 1.249 42.064 40.800 0.025 0.000 1.182 49 D HN -0.059 nan 8.370 nan 0.000 0.451 50 P HA 0.032 nan 4.420 nan 0.000 0.237 50 P C -0.276 177.006 177.300 -0.030 0.000 1.788 50 P CA -0.158 62.961 63.100 0.031 0.000 1.061 50 P CB 0.089 31.796 31.700 0.011 0.000 1.967 51 V N 3.676 123.581 119.914 -0.016 0.000 2.546 51 V HA 0.271 4.392 4.120 0.001 0.000 0.284 51 V C 0.804 176.861 176.094 -0.061 0.000 1.050 51 V CA -0.438 61.836 62.300 -0.043 0.000 0.981 51 V CB 1.774 33.590 31.823 -0.011 0.000 0.990 51 V HN 0.314 nan 8.190 nan 0.000 0.474 52 V N 2.145 121.997 119.914 -0.104 0.000 2.638 52 V HA 0.561 4.681 4.120 0.001 0.000 0.306 52 V C -0.345 175.682 176.094 -0.111 0.000 1.052 52 V CA -0.844 61.387 62.300 -0.115 0.000 0.885 52 V CB 1.234 32.965 31.823 -0.154 0.000 0.999 52 V HN 0.925 nan 8.190 nan 0.000 0.424 53 C N 5.345 124.600 119.300 -0.076 0.000 2.415 53 C HA 0.824 5.285 4.460 0.001 0.000 0.369 53 C C 0.165 175.100 174.990 -0.092 0.000 1.279 53 C CA 0.189 59.179 59.018 -0.047 0.000 1.886 53 C CB -0.342 27.395 27.740 -0.004 0.000 2.468 53 C HN 0.889 nan 8.230 nan 0.000 0.553 54 V N 6.624 126.465 119.914 -0.121 0.000 2.864 54 V HA 0.646 4.767 4.120 0.001 0.000 0.314 54 V C -0.679 175.115 176.094 -0.499 0.000 1.073 54 V CA -0.418 61.769 62.300 -0.190 0.000 0.956 54 V CB 2.007 33.773 31.823 -0.095 0.000 1.023 54 V HN 0.869 nan 8.190 nan 0.000 0.435 55 Q N 2.152 121.658 119.800 -0.491 0.000 2.263 55 Q HA 0.510 4.851 4.340 0.001 0.000 0.266 55 Q C -0.799 174.980 176.000 -0.369 0.000 1.002 55 Q CA -0.726 54.526 55.803 -0.919 0.000 0.790 55 Q CB 1.325 29.597 28.738 -0.776 0.000 1.272 55 Q HN 0.759 nan 8.270 nan 0.000 0.435 56 W N 1.050 122.490 121.300 0.233 0.000 2.504 56 W HA -0.380 4.280 4.660 0.001 0.000 0.200 56 W C 0.713 177.347 176.519 0.193 0.000 0.681 56 W CA 0.504 57.992 57.345 0.239 0.000 0.906 56 W CB -1.056 28.503 29.460 0.166 0.000 1.024 56 W HN 0.697 nan 8.180 nan 0.000 0.429 57 N N 1.209 120.160 118.700 0.419 0.000 2.362 57 N HA 0.080 4.821 4.740 0.001 0.000 0.211 57 N C -0.121 175.488 175.510 0.165 0.000 1.170 57 N CA 0.992 54.196 53.050 0.256 0.000 0.828 57 N CB -0.177 38.433 38.487 0.206 0.000 1.034 57 N HN 0.370 nan 8.380 nan 0.000 0.475 58 S N -0.638 115.144 115.700 0.136 0.000 2.664 58 S HA 0.643 5.114 4.470 0.001 0.000 0.304 58 S C -0.059 174.540 174.600 -0.001 0.000 1.099 58 S CA -0.843 57.395 58.200 0.062 0.000 1.003 58 S CB 1.754 64.996 63.200 0.069 0.000 1.092 58 S HN 0.020 nan 8.310 nan 0.000 0.525 59 I N 1.754 122.308 120.570 -0.027 0.000 2.354 59 I HA 0.323 4.494 4.170 0.001 0.000 0.292 59 I C 0.754 176.828 176.117 -0.070 0.000 0.989 59 I CA -0.761 60.499 61.300 -0.066 0.000 1.188 59 I CB 1.540 39.494 38.000 -0.076 0.000 1.342 59 I HN 0.801 nan 8.210 nan 0.000 0.457 60 I N 2.673 123.193 120.570 -0.083 0.000 3.968 60 I HA 0.590 4.761 4.170 0.001 0.000 0.328 60 I C 0.538 176.562 176.117 -0.154 0.000 1.290 60 I CA 0.016 61.258 61.300 -0.097 0.000 1.163 60 I CB 0.483 38.449 38.000 -0.057 0.000 1.024 60 I HN 0.485 nan 8.210 nan 0.000 0.413 61 A N 1.063 123.807 122.820 -0.126 0.000 2.480 61 A HA 0.660 4.981 4.320 0.001 0.000 0.289 61 A C -1.144 176.374 177.584 -0.110 0.000 1.044 61 A CA -0.357 51.597 52.037 -0.139 0.000 0.761 61 A CB 1.418 20.343 19.000 -0.124 0.000 1.289 61 A HN -0.022 nan 8.150 nan 0.000 0.401 62 V N 3.095 122.930 119.914 -0.132 0.000 2.334 62 V HA 0.492 4.613 4.120 0.001 0.000 0.281 62 V C 0.895 176.893 176.094 -0.160 0.000 1.016 62 V CA -0.128 62.088 62.300 -0.140 0.000 0.832 62 V CB 1.139 32.864 31.823 -0.164 0.000 0.999 62 V HN 1.163 nan 8.190 nan 0.000 0.439 63 S N 3.800 119.453 115.700 -0.078 0.000 2.573 63 S HA 0.141 4.611 4.470 0.001 0.000 0.277 63 S C 0.754 175.315 174.600 -0.065 0.000 1.346 63 S CA 0.062 58.258 58.200 -0.007 0.000 1.034 63 S CB 0.227 63.456 63.200 0.048 0.000 0.879 63 S HN 0.545 nan 8.310 nan 0.000 0.528 64 Y N 1.327 121.641 120.300 0.024 0.000 2.421 64 Y HA -0.001 4.549 4.550 0.001 0.000 0.292 64 Y C 2.619 178.532 175.900 0.021 0.000 1.136 64 Y CA 1.212 59.322 58.100 0.017 0.000 1.255 64 Y CB -0.728 37.742 38.460 0.016 0.000 0.991 64 Y HN 0.878 nan 8.280 nan 0.000 0.552 65 A N -0.043 122.864 122.820 0.145 0.000 1.898 65 A HA -0.106 4.214 4.320 0.001 0.000 0.216 65 A C 2.395 180.065 177.584 0.144 0.000 1.181 65 A CA 1.601 53.711 52.037 0.122 0.000 0.620 65 A CB -1.079 17.990 19.000 0.116 0.000 0.819 65 A HN 0.368 nan 8.150 nan 0.000 0.442 66 A N -0.283 122.606 122.820 0.115 0.000 2.014 66 A HA -0.078 4.242 4.320 0.001 0.000 0.218 66 A C 2.112 179.773 177.584 0.127 0.000 1.163 66 A CA 1.128 53.261 52.037 0.161 0.000 0.652 66 A CB -0.407 18.610 19.000 0.029 0.000 0.808 66 A HN 0.541 nan 8.150 nan 0.000 0.449 67 R N -0.009 120.487 120.500 -0.006 0.000 2.237 67 R HA -0.038 4.303 4.340 0.001 0.000 0.219 67 R C 1.527 177.795 176.300 -0.055 0.000 1.080 67 R CA 1.028 57.090 56.100 -0.064 0.000 0.995 67 R CB -0.168 30.020 30.300 -0.186 0.000 0.875 67 R HN 0.480 nan 8.270 nan 0.000 0.462 68 K N -0.172 120.173 120.400 -0.091 0.000 2.362 68 K HA -0.127 4.193 4.320 0.001 0.000 0.200 68 K C 0.614 176.953 176.600 -0.435 0.000 1.046 68 K CA 1.064 57.190 56.287 -0.269 0.000 0.952 68 K CB 0.110 32.378 32.500 -0.387 0.000 0.753 68 K HN 0.284 nan 8.250 nan 0.000 0.466 69 Y N -0.169 120.113 120.300 -0.029 0.000 2.468 69 Y HA 0.163 4.713 4.550 0.001 0.000 0.268 69 Y C 1.340 177.219 175.900 -0.035 0.000 1.177 69 Y CA 0.153 58.235 58.100 -0.030 0.000 1.265 69 Y CB 0.690 39.130 38.460 -0.034 0.000 1.103 69 Y HN 0.189 nan 8.280 nan 0.000 0.522 70 G N 0.837 109.655 108.800 0.029 0.000 2.143 70 G HA2 -0.295 3.665 3.960 0.001 0.000 0.248 70 G HA3 -0.295 3.665 3.960 0.001 0.000 0.248 70 G C 0.086 174.991 174.900 0.008 0.000 0.991 70 G CA -0.029 45.076 45.100 0.007 0.000 0.689 70 G HN 0.328 nan 8.290 nan 0.000 0.522 71 I N 1.588 122.168 120.570 0.017 0.000 2.474 71 I HA 0.516 4.686 4.170 0.001 0.000 0.287 71 I C 0.923 177.009 176.117 -0.052 0.000 1.048 71 I CA 0.422 61.715 61.300 -0.011 0.000 1.383 71 I CB 1.457 39.453 38.000 -0.006 0.000 1.412 71 I HN 0.405 nan 8.210 nan 0.000 0.531 72 S N 5.280 120.947 115.700 -0.054 0.000 2.685 72 S HA 0.470 4.940 4.470 0.001 0.000 0.282 72 S C 0.487 175.049 174.600 -0.064 0.000 1.159 72 S CA -0.991 57.167 58.200 -0.071 0.000 0.833 72 S CB 1.790 64.955 63.200 -0.059 0.000 1.151 72 S HN 0.608 nan 8.310 nan 0.000 0.485 73 R N -0.169 120.290 120.500 -0.069 0.000 2.285 73 R HA 0.077 4.418 4.340 0.001 0.000 0.213 73 R C 1.331 177.609 176.300 -0.037 0.000 1.068 73 R CA 0.873 56.938 56.100 -0.059 0.000 1.004 73 R CB -0.406 29.854 30.300 -0.067 0.000 0.873 73 R HN 0.538 nan 8.270 nan 0.000 0.467 74 M N 0.547 120.128 119.600 -0.032 0.000 2.492 74 M HA 0.010 4.491 4.480 0.001 0.000 0.262 74 M C -0.209 176.085 176.300 -0.011 0.000 1.090 74 M CA 0.811 56.100 55.300 -0.019 0.000 1.110 74 M CB -0.343 32.246 32.600 -0.019 0.000 1.407 74 M HN -0.063 nan 8.290 nan 0.000 0.470 75 D N 1.480 121.870 120.400 -0.017 0.000 2.255 75 D HA 0.214 4.854 4.640 0.001 0.000 0.249 75 D C 0.640 176.938 176.300 -0.003 0.000 1.078 75 D CA 0.105 54.099 54.000 -0.010 0.000 0.896 75 D CB 1.324 42.114 40.800 -0.018 0.000 1.194 75 D HN 0.194 nan 8.370 nan 0.000 0.429 76 T N -1.494 113.067 114.554 0.013 0.000 2.788 76 T HA 0.289 4.640 4.350 0.001 0.000 0.280 76 T C 1.921 176.633 174.700 0.020 0.000 0.984 76 T CA -0.659 61.460 62.100 0.031 0.000 0.972 76 T CB 0.563 69.462 68.868 0.052 0.000 1.039 76 T HN 0.282 nan 8.240 nan 0.000 0.530 77 I N 0.548 121.143 120.570 0.041 0.000 2.163 77 I HA -0.211 3.959 4.170 0.001 0.000 0.243 77 I C 2.962 179.090 176.117 0.019 0.000 1.085 77 I CA 1.220 62.526 61.300 0.011 0.000 1.347 77 I CB -0.561 37.493 38.000 0.089 0.000 1.044 77 I HN 0.575 nan 8.210 nan 0.000 0.408 78 Q N 0.894 120.735 119.800 0.069 0.000 2.084 78 Q HA -0.223 4.118 4.340 0.001 0.000 0.202 78 Q C 2.082 178.099 176.000 0.028 0.000 0.978 78 Q CA 1.618 57.459 55.803 0.063 0.000 0.844 78 Q CB -0.344 28.441 28.738 0.079 0.000 0.898 78 Q HN 0.615 nan 8.270 nan 0.000 0.426 79 E N 0.394 120.606 120.200 0.021 0.000 2.106 79 E HA -0.108 4.243 4.350 0.001 0.000 0.192 79 E C 1.900 178.495 176.600 -0.008 0.000 0.984 79 E CA 0.855 57.261 56.400 0.009 0.000 0.806 79 E CB -0.037 29.669 29.700 0.010 0.000 0.750 79 E HN 0.331 nan 8.360 nan 0.000 0.458 80 A N 0.995 123.801 122.820 -0.024 0.000 1.898 80 A HA -0.125 4.195 4.320 0.001 0.000 0.216 80 A C 2.134 179.676 177.584 -0.070 0.000 1.181 80 A CA 0.869 52.876 52.037 -0.049 0.000 0.620 80 A CB -0.540 18.413 19.000 -0.078 0.000 0.819 80 A HN 0.142 nan 8.150 nan 0.000 0.442 81 L N -0.662 120.519 121.223 -0.069 0.000 2.191 81 L HA -0.148 4.192 4.340 0.001 0.000 0.212 81 L C 2.066 178.903 176.870 -0.055 0.000 1.103 81 L CA 0.956 55.750 54.840 -0.078 0.000 0.769 81 L CB -0.253 41.780 42.059 -0.043 0.000 0.908 81 L HN 0.189 nan 8.230 nan 0.000 0.438 82 K N 0.213 120.597 120.400 -0.027 0.000 2.439 82 K HA -0.055 4.265 4.320 0.001 0.000 0.197 82 K C 1.709 178.300 176.600 -0.014 0.000 1.041 82 K CA 0.864 57.143 56.287 -0.013 0.000 0.970 82 K CB 0.083 32.584 32.500 0.002 0.000 0.773 82 K HN 0.371 nan 8.250 nan 0.000 0.479 83 K N -0.925 119.461 120.400 -0.023 0.000 2.334 83 K HA 0.058 4.379 4.320 0.001 0.000 0.195 83 K C 0.405 176.982 176.600 -0.038 0.000 1.045 83 K CA 0.188 56.480 56.287 0.009 0.000 1.004 83 K CB 0.592 33.114 32.500 0.036 0.000 0.837 83 K HN -0.021 nan 8.250 nan 0.000 0.510 84 C N 1.622 120.821 119.300 -0.168 0.000 3.102 84 C HA 0.165 4.626 4.460 0.001 0.000 0.363 84 C C 1.498 176.324 174.990 -0.274 0.000 1.048 84 C CA -0.714 58.065 59.018 -0.399 0.000 1.330 84 C CB -0.106 27.147 27.740 -0.812 0.000 1.771 84 C HN 0.527 nan 8.230 nan 0.000 0.526 85 S N 2.750 118.343 115.700 -0.180 0.000 2.419 85 S HA -0.141 4.330 4.470 0.001 0.000 0.235 85 S C 1.076 175.600 174.600 -0.126 0.000 1.019 85 S CA 1.541 59.673 58.200 -0.114 0.000 0.982 85 S CB -0.287 62.875 63.200 -0.063 0.000 0.789 85 S HN 0.834 nan 8.310 nan 0.000 0.490 86 N N 1.336 119.927 118.700 -0.181 0.000 2.370 86 N HA 0.243 4.983 4.740 0.001 0.000 0.198 86 N C -0.023 175.379 175.510 -0.180 0.000 1.156 86 N CA -0.090 52.870 53.050 -0.150 0.000 0.839 86 N CB -0.338 38.068 38.487 -0.135 0.000 0.989 86 N HN 0.397 nan 8.380 nan 0.000 0.468 87 L N 1.175 122.263 121.223 -0.225 0.000 2.506 87 L HA 0.072 4.412 4.340 0.001 0.000 0.281 87 L C 0.096 176.847 176.870 -0.198 0.000 1.228 87 L CA 0.621 55.324 54.840 -0.228 0.000 0.850 87 L CB 0.373 42.283 42.059 -0.248 0.000 1.110 87 L HN 0.041 nan 8.230 nan 0.000 0.496 88 I N 6.316 126.778 120.570 -0.180 0.000 2.503 88 I HA 0.290 4.460 4.170 0.001 0.000 0.277 88 I C -2.234 173.744 176.117 -0.232 0.000 1.078 88 I CA -1.699 59.506 61.300 -0.159 0.000 1.184 88 I CB 0.748 38.701 38.000 -0.079 0.000 1.353 88 I HN 0.507 nan 8.210 nan 0.000 0.490 89 P HA 0.389 nan 4.420 nan 0.000 0.285 89 P C -0.583 176.512 177.300 -0.342 0.000 1.259 89 P CA -0.136 62.589 63.100 -0.624 0.000 0.794 89 P CB 1.015 31.836 31.700 -1.465 0.000 0.940 90 I N 2.544 123.039 120.570 -0.125 0.000 2.468 90 I HA 0.249 4.419 4.170 0.001 0.000 0.285 90 I C 0.336 176.576 176.117 0.206 0.000 1.039 90 I CA -0.851 60.519 61.300 0.117 0.000 1.074 90 I CB 1.310 39.347 38.000 0.061 0.000 1.228 90 I HN 0.423 nan 8.210 nan 0.000 0.436 91 H N 5.262 124.523 119.070 0.319 0.000 2.629 91 H HA 0.167 4.723 4.556 0.001 0.000 0.357 91 H C 0.032 175.477 175.328 0.195 0.000 1.121 91 H CA 0.110 56.300 56.048 0.237 0.000 1.406 91 H CB 1.499 31.408 29.762 0.244 0.000 1.456 91 H HN 0.733 nan 8.280 nan 0.000 0.579 92 T N 1.260 115.841 114.554 0.046 0.000 2.795 92 T HA 0.373 4.723 4.350 0.001 0.000 0.314 92 T C 0.587 175.335 174.700 0.080 0.000 1.069 92 T CA -0.353 61.811 62.100 0.106 0.000 1.071 92 T CB 0.483 69.312 68.868 -0.065 0.000 0.988 92 T HN 0.674 nan 8.240 nan 0.000 0.543 93 A N 0.906 123.444 122.820 -0.469 0.000 2.346 93 A HA 0.627 4.948 4.320 0.001 0.000 0.252 93 A C 0.469 177.884 177.584 -0.281 0.000 1.089 93 A CA -0.230 51.379 52.037 -0.715 0.000 0.797 93 A CB -0.201 17.956 19.000 -1.405 0.000 1.047 93 A HN 1.833 nan 8.150 nan 0.000 0.494 94 V N -2.653 117.208 119.914 -0.089 0.000 3.147 94 V HA 0.772 4.892 4.120 0.001 0.000 0.306 94 V C -1.002 175.159 176.094 0.111 0.000 1.209 94 V CA -1.015 61.332 62.300 0.079 0.000 1.023 94 V CB 1.493 33.462 31.823 0.244 0.000 1.059 94 V HN 0.650 nan 8.190 nan 0.000 0.435 95 F N 1.564 121.693 119.950 0.299 0.000 2.404 95 F HA 0.634 5.162 4.527 0.001 0.000 0.339 95 F C 0.497 176.369 175.800 0.120 0.000 1.105 95 F CA -0.288 57.819 58.000 0.179 0.000 1.087 95 F CB 1.639 40.751 39.000 0.186 0.000 1.143 95 F HN 0.602 nan 8.300 nan 0.000 0.491 96 K N 4.065 124.517 120.400 0.087 0.000 2.183 96 K HA 0.191 4.512 4.320 0.001 0.000 0.274 96 K C -0.050 176.305 176.600 -0.408 0.000 1.009 96 K CA -0.799 55.349 56.287 -0.231 0.000 0.888 96 K CB 0.838 33.214 32.500 -0.208 0.000 1.078 96 K HN 0.657 nan 8.250 nan 0.000 0.459 97 K N 2.923 122.898 120.400 -0.708 0.000 2.477 97 K HA -0.140 4.181 4.320 0.001 0.000 0.275 97 K C 0.491 176.675 176.600 -0.693 0.000 1.054 97 K CA 1.589 57.203 56.287 -1.120 0.000 1.135 97 K CB -0.302 31.322 32.500 -1.460 0.000 0.854 97 K HN 0.906 nan 8.250 nan 0.000 0.484 98 G N 2.860 111.305 108.800 -0.593 0.000 2.175 98 G HA2 -0.236 3.724 3.960 0.001 0.000 0.244 98 G HA3 -0.236 3.724 3.960 0.001 0.000 0.244 98 G C -0.395 174.345 174.900 -0.267 0.000 0.982 98 G CA 0.269 45.144 45.100 -0.375 0.000 0.641 98 G HN 0.670 nan 8.290 nan 0.000 0.527 99 E N 0.613 120.629 120.200 -0.305 0.000 2.207 99 E HA 0.456 4.806 4.350 0.001 0.000 0.270 99 E C -0.518 175.944 176.600 -0.231 0.000 0.927 99 E CA -0.320 55.884 56.400 -0.328 0.000 0.799 99 E CB 1.152 30.444 29.700 -0.680 0.000 1.172 99 E HN 0.257 nan 8.360 nan 0.000 0.404 100 D N 1.877 122.235 120.400 -0.070 0.000 2.587 100 D HA 0.109 4.750 4.640 0.001 0.000 0.233 100 D C -0.443 176.036 176.300 0.298 0.000 1.213 100 D CA -0.313 53.746 54.000 0.099 0.000 0.827 100 D CB -0.663 40.211 40.800 0.124 0.000 1.006 100 D HN 0.268 nan 8.370 nan 0.000 0.490 101 F N -1.821 118.288 119.950 0.266 0.000 2.654 101 F HA 0.612 5.139 4.527 0.001 0.000 0.308 101 F C -1.099 174.757 175.800 0.093 0.000 1.108 101 F CA -1.959 56.118 58.000 0.128 0.000 0.957 101 F CB 0.700 39.640 39.000 -0.100 0.000 1.309 101 F HN -0.072 nan 8.300 nan 0.000 0.446 102 W N 2.222 123.453 121.300 -0.114 0.000 2.497 102 W HA 0.806 5.467 4.660 0.001 0.000 0.359 102 W C -1.580 174.859 176.519 -0.134 0.000 1.131 102 W CA -0.872 56.150 57.345 -0.538 0.000 1.280 102 W CB 1.193 29.951 29.460 -1.169 0.000 1.319 102 W HN 0.996 nan 8.180 nan 0.000 0.626 103 Q N 0.487 120.430 119.800 0.237 0.000 2.522 103 Q HA 0.392 4.732 4.340 0.001 0.000 0.285 103 Q C -2.328 173.674 176.000 0.003 0.000 0.982 103 Q CA -0.974 54.916 55.803 0.145 0.000 0.805 103 Q CB 1.940 30.718 28.738 0.066 0.000 1.457 103 Q HN 0.496 nan 8.270 nan 0.000 0.394 104 Y N 0.444 120.766 120.300 0.036 0.000 2.310 104 Y HA 0.331 4.881 4.550 0.001 0.000 0.326 104 Y C -0.413 175.370 175.900 -0.194 0.000 1.151 104 Y CA -0.054 58.050 58.100 0.006 0.000 1.195 104 Y CB 1.335 39.824 38.460 0.049 0.000 1.210 104 Y HN 0.660 nan 8.280 nan 0.000 0.483 105 H N 1.133 120.322 119.070 0.199 0.000 2.360 105 H HA 0.222 4.779 4.556 0.001 0.000 0.233 105 H C -0.984 174.400 175.328 0.093 0.000 1.473 105 H CA -0.771 55.327 56.048 0.084 0.000 1.352 105 H CB -0.041 29.701 29.762 -0.034 0.000 1.493 105 H HN 0.537 nan 8.280 nan 0.000 0.533 106 D N 0.945 121.448 120.400 0.170 0.000 2.424 106 D HA 0.212 4.852 4.640 0.001 0.000 0.244 106 D C 1.449 177.819 176.300 0.116 0.000 1.134 106 D CA 1.336 55.423 54.000 0.144 0.000 0.881 106 D CB 1.331 42.176 40.800 0.074 0.000 1.191 106 D HN 0.856 nan 8.370 nan 0.000 0.445 107 G N 1.244 110.129 108.800 0.142 0.000 2.175 107 G HA2 -0.247 3.714 3.960 0.001 0.000 0.244 107 G HA3 -0.247 3.714 3.960 0.001 0.000 0.244 107 G C 0.207 175.099 174.900 -0.013 0.000 0.982 107 G CA 0.130 45.288 45.100 0.096 0.000 0.641 107 G HN 0.611 nan 8.290 nan 0.000 0.527 108 C N 0.074 119.346 119.300 -0.048 0.000 2.456 108 C HA 1.006 5.467 4.460 0.001 0.000 0.325 108 C C 0.750 175.433 174.990 -0.513 0.000 1.217 108 C CA 0.304 59.181 59.018 -0.235 0.000 1.687 108 C CB 0.977 28.640 27.740 -0.128 0.000 2.270 108 C HN 1.720 nan 8.230 nan 0.000 0.499 109 G N 0.838 109.157 108.800 -0.802 0.000 2.328 109 G HA2 0.363 4.324 3.960 0.001 0.000 0.299 109 G HA3 0.363 4.324 3.960 0.001 0.000 0.299 109 G C 0.346 174.750 174.900 -0.825 0.000 1.435 109 G CA 0.259 44.701 45.100 -1.097 0.000 0.865 109 G HN 0.966 nan 8.290 nan 0.000 0.601 110 S N -1.302 114.222 115.700 -0.294 0.000 2.442 110 S HA -0.137 4.334 4.470 0.001 0.000 0.236 110 S C 1.825 176.420 174.600 -0.009 0.000 1.007 110 S CA 2.091 60.265 58.200 -0.043 0.000 0.965 110 S CB -0.572 62.732 63.200 0.173 0.000 0.773 110 S HN 1.374 nan 8.310 nan 0.000 0.504 111 W N 1.765 123.105 121.300 0.066 0.000 3.047 111 W HA 0.543 5.204 4.660 0.001 0.000 0.250 111 W C -0.379 176.161 176.519 0.035 0.000 1.314 111 W CA -0.618 56.754 57.345 0.045 0.000 1.540 111 W CB -0.569 28.914 29.460 0.038 0.000 1.127 111 W HN -0.061 nan 8.180 nan 0.000 0.679 112 V N 3.444 123.042 119.914 -0.526 0.000 2.509 112 V HA 0.048 4.168 4.120 0.001 0.000 0.284 112 V C 1.256 177.263 176.094 -0.146 0.000 1.047 112 V CA -0.627 61.477 62.300 -0.328 0.000 0.952 112 V CB 1.470 33.017 31.823 -0.459 0.000 0.988 112 V HN 0.051 nan 8.190 nan 0.000 0.469 113 Q N 1.366 121.130 119.800 -0.059 0.000 1.965 113 Q HA -0.084 4.256 4.340 0.001 0.000 0.200 113 Q C 1.015 176.989 176.000 -0.044 0.000 0.981 113 Q CA 0.871 56.655 55.803 -0.031 0.000 0.834 113 Q CB -0.447 28.288 28.738 -0.004 0.000 0.900 113 Q HN 0.852 nan 8.270 nan 0.000 0.426 114 D N 2.584 122.958 120.400 -0.044 0.000 2.819 114 D HA -0.101 4.540 4.640 0.001 0.000 0.236 114 D C -1.489 174.778 176.300 -0.055 0.000 1.181 114 D CA -0.470 53.505 54.000 -0.041 0.000 0.855 114 D CB 0.754 41.530 40.800 -0.039 0.000 1.146 114 D HN 0.089 nan 8.370 nan 0.000 0.540 115 P HA -0.070 nan 4.420 nan 0.000 0.234 115 P C 0.637 177.912 177.300 -0.042 0.000 1.167 115 P CA 0.440 63.516 63.100 -0.040 0.000 0.763 115 P CB 0.283 31.968 31.700 -0.024 0.000 0.835 116 A N 0.263 123.060 122.820 -0.038 0.000 2.132 116 A HA 0.044 4.365 4.320 0.001 0.000 0.213 116 A C 1.495 179.052 177.584 -0.045 0.000 1.154 116 A CA 0.501 52.519 52.037 -0.031 0.000 0.753 116 A CB -0.353 18.637 19.000 -0.017 0.000 0.826 116 A HN 0.121 nan 8.150 nan 0.000 0.469 117 K N 1.243 121.600 120.400 -0.071 0.000 3.129 117 K HA 0.230 4.550 4.320 0.001 0.000 0.224 117 K C -0.679 175.817 176.600 -0.172 0.000 1.249 117 K CA -0.173 56.053 56.287 -0.102 0.000 1.177 117 K CB 0.357 32.797 32.500 -0.101 0.000 1.393 117 K HN 0.324 nan 8.250 nan 0.000 0.459 118 Q N 0.601 120.307 119.800 -0.156 0.000 2.297 118 Q HA 0.479 4.819 4.340 0.001 0.000 0.268 118 Q C -0.186 175.672 176.000 -0.237 0.000 1.045 118 Q CA -0.632 55.062 55.803 -0.181 0.000 0.861 118 Q CB 2.312 30.986 28.738 -0.107 0.000 1.344 118 Q HN 0.297 nan 8.270 nan 0.000 0.452 119 I N 1.578 122.003 120.570 -0.241 0.000 2.537 119 I HA 0.116 4.287 4.170 0.001 0.000 0.276 119 I C -0.004 176.103 176.117 -0.017 0.000 1.063 119 I CA -0.565 60.521 61.300 -0.357 0.000 1.144 119 I CB 1.338 39.017 38.000 -0.535 0.000 1.252 119 I HN 0.477 nan 8.210 nan 0.000 0.480 120 S N 3.775 119.491 115.700 0.026 0.000 2.533 120 S HA 0.079 4.549 4.470 0.001 0.000 0.282 120 S C 0.915 175.541 174.600 0.044 0.000 1.304 120 S CA -0.590 57.667 58.200 0.094 0.000 1.063 120 S CB 1.997 65.259 63.200 0.102 0.000 0.881 120 S HN 0.456 nan 8.310 nan 0.000 0.493 121 V N 2.482 122.196 119.914 -0.334 0.000 3.141 121 V HA -0.064 4.057 4.120 0.001 0.000 0.265 121 V C 1.812 177.704 176.094 -0.336 0.000 1.126 121 V CA 1.768 63.516 62.300 -0.920 0.000 1.141 121 V CB -0.944 30.211 31.823 -1.114 0.000 0.743 121 V HN 0.929 nan 8.190 nan 0.000 0.492 122 E N 1.675 121.814 120.200 -0.102 0.000 2.028 122 E HA -0.137 4.214 4.350 0.001 0.000 0.191 122 E C 1.159 177.874 176.600 0.191 0.000 0.988 122 E CA 1.673 58.086 56.400 0.022 0.000 0.799 122 E CB -0.209 29.502 29.700 0.019 0.000 0.755 122 E HN 0.944 nan 8.360 nan 0.000 0.447 123 D N -1.181 119.292 120.400 0.122 0.000 2.772 123 D HA 0.179 4.819 4.640 0.001 0.000 0.272 123 D C -0.609 175.524 176.300 -0.278 0.000 1.314 123 D CA -0.317 53.663 54.000 -0.032 0.000 0.835 123 D CB -0.065 40.581 40.800 -0.256 0.000 1.080 123 D HN 0.107 nan 8.370 nan 0.000 0.482 124 H N -0.575 118.695 119.070 0.333 0.000 2.961 124 H HA 0.529 5.085 4.556 0.001 0.000 0.371 124 H C -1.050 174.683 175.328 0.674 0.000 1.190 124 H CA -1.069 55.239 56.048 0.434 0.000 1.138 124 H CB 2.033 32.065 29.762 0.450 0.000 1.816 124 H HN -0.067 nan 8.280 nan 0.000 0.551 125 K N 1.877 122.771 120.400 0.824 0.000 2.443 125 K HA 0.448 4.769 4.320 0.001 0.000 0.252 125 K C -1.115 175.888 176.600 0.671 0.000 0.933 125 K CA -0.729 56.026 56.287 0.781 0.000 0.792 125 K CB 1.873 34.816 32.500 0.739 0.000 1.185 125 K HN 0.364 nan 8.250 nan 0.000 0.425 126 V N 2.486 122.729 119.914 0.549 0.000 2.673 126 V HA 0.013 4.133 4.120 0.001 0.000 0.303 126 V C 0.215 176.447 176.094 0.230 0.000 1.046 126 V CA 0.286 62.737 62.300 0.253 0.000 1.126 126 V CB 1.273 33.174 31.823 0.129 0.000 0.934 126 V HN 0.767 nan 8.190 nan 0.000 0.487 127 S N 4.763 120.445 115.700 -0.031 0.000 2.498 127 S HA 0.532 5.003 4.470 0.001 0.000 0.317 127 S C 0.154 174.536 174.600 -0.363 0.000 1.090 127 S CA -0.773 57.303 58.200 -0.207 0.000 1.089 127 S CB 0.786 63.512 63.200 -0.790 0.000 0.997 127 S HN 0.592 nan 8.310 nan 0.000 0.470 128 L N 3.862 124.971 121.223 -0.190 0.000 2.653 128 L HA 0.308 4.648 4.340 0.001 0.000 0.231 128 L C 1.979 178.642 176.870 -0.346 0.000 1.153 128 L CA -0.046 54.699 54.840 -0.158 0.000 0.933 128 L CB -0.099 42.018 42.059 0.096 0.000 1.175 128 L HN 0.582 nan 8.230 nan 0.000 0.473 129 E N 1.681 121.570 120.200 -0.519 0.000 2.085 129 E HA -0.172 4.178 4.350 0.001 0.000 0.194 129 E C -0.657 175.641 176.600 -0.503 0.000 0.994 129 E CA 1.737 57.877 56.400 -0.433 0.000 0.801 129 E CB -0.773 28.656 29.700 -0.452 0.000 0.743 129 E HN 0.244 nan 8.360 nan 0.000 0.453 130 P HA -0.154 nan 4.420 nan 0.000 0.216 130 P C 0.688 177.671 177.300 -0.528 0.000 1.150 130 P CA 1.381 64.065 63.100 -0.693 0.000 0.837 130 P CB -0.143 31.012 31.700 -0.908 0.000 0.786 131 Y N -0.670 119.422 120.300 -0.346 0.000 2.263 131 Y HA -0.050 4.501 4.550 0.001 0.000 0.292 131 Y C 2.455 178.384 175.900 0.049 0.000 1.130 131 Y CA 0.762 58.685 58.100 -0.296 0.000 1.179 131 Y CB -1.148 36.888 38.460 -0.707 0.000 0.998 131 Y HN -0.133 nan 8.280 nan 0.000 0.532 132 R N 0.124 120.682 120.500 0.096 0.000 2.075 132 R HA -0.092 4.248 4.340 0.001 0.000 0.232 132 R C 2.337 178.712 176.300 0.125 0.000 1.126 132 R CA 1.199 57.380 56.100 0.135 0.000 0.963 132 R CB -0.244 30.104 30.300 0.079 0.000 0.858 132 R HN 0.329 nan 8.270 nan 0.000 0.435 133 R N 0.486 121.031 120.500 0.075 0.000 2.081 133 R HA -0.114 4.226 4.340 0.001 0.000 0.235 133 R C 2.059 178.450 176.300 0.150 0.000 1.131 133 R CA 1.093 57.252 56.100 0.099 0.000 0.960 133 R CB -0.137 30.217 30.300 0.090 0.000 0.856 133 R HN 0.212 nan 8.270 nan 0.000 0.436 134 E N 0.358 120.674 120.200 0.193 0.000 2.106 134 E HA -0.127 4.224 4.350 0.001 0.000 0.192 134 E C 1.958 178.788 176.600 0.383 0.000 0.984 134 E CA 0.959 57.550 56.400 0.319 0.000 0.806 134 E CB -0.308 29.586 29.700 0.322 0.000 0.750 134 E HN 0.132 nan 8.360 nan 0.000 0.458 135 S N 0.565 116.501 115.700 0.394 0.000 2.368 135 S HA -0.179 4.291 4.470 0.001 0.000 0.225 135 S C 2.047 176.719 174.600 0.119 0.000 1.030 135 S CA 1.328 59.633 58.200 0.176 0.000 0.999 135 S CB -0.017 63.263 63.200 0.134 0.000 0.844 135 S HN 0.168 nan 8.310 nan 0.000 0.459 136 R N 0.598 121.173 120.500 0.125 0.000 2.096 136 R HA -0.062 4.279 4.340 0.001 0.000 0.235 136 R C 2.292 178.643 176.300 0.085 0.000 1.127 136 R CA 1.564 57.717 56.100 0.089 0.000 0.968 136 R CB -0.137 30.207 30.300 0.075 0.000 0.861 136 R HN 0.383 nan 8.270 nan 0.000 0.440 137 K N -0.228 120.236 120.400 0.107 0.000 2.026 137 K HA -0.126 4.194 4.320 0.001 0.000 0.208 137 K C 2.122 178.745 176.600 0.038 0.000 1.048 137 K CA 1.512 57.850 56.287 0.085 0.000 0.929 137 K CB -0.198 32.378 32.500 0.128 0.000 0.713 137 K HN 0.202 nan 8.250 nan 0.000 0.439 138 A N 1.839 124.688 122.820 0.049 0.000 1.902 138 A HA -0.160 4.161 4.320 0.001 0.000 0.217 138 A C 2.128 179.645 177.584 -0.112 0.000 1.181 138 A CA 1.117 53.089 52.037 -0.109 0.000 0.623 138 A CB -0.692 18.283 19.000 -0.041 0.000 0.818 138 A HN 0.250 nan 8.150 nan 0.000 0.443 139 L N -0.489 120.792 121.223 0.096 0.000 2.013 139 L HA -0.264 4.076 4.340 0.001 0.000 0.212 139 L C 2.543 179.486 176.870 0.122 0.000 1.073 139 L CA 2.301 57.256 54.840 0.193 0.000 0.753 139 L CB -0.443 41.691 42.059 0.125 0.000 0.890 139 L HN 0.443 nan 8.230 nan 0.000 0.432 140 K N -0.210 120.223 120.400 0.054 0.000 2.103 140 K HA -0.207 4.114 4.320 0.001 0.000 0.207 140 K C 1.938 178.544 176.600 0.009 0.000 1.048 140 K CA 1.554 57.862 56.287 0.036 0.000 0.930 140 K CB -0.193 32.322 32.500 0.025 0.000 0.716 140 K HN 0.367 nan 8.250 nan 0.000 0.444 141 I N -0.002 120.527 120.570 -0.069 0.000 2.202 141 I HA -0.245 3.925 4.170 0.001 0.000 0.242 141 I C 1.904 177.976 176.117 -0.075 0.000 1.091 141 I CA 1.148 62.372 61.300 -0.127 0.000 1.368 141 I CB -0.248 37.596 38.000 -0.259 0.000 1.058 141 I HN 0.010 nan 8.210 nan 0.000 0.410 142 F N 1.441 121.397 119.950 0.011 0.000 2.134 142 F HA -0.185 4.342 4.527 0.001 0.000 0.299 142 F C 2.448 178.252 175.800 0.007 0.000 1.097 142 F CA 1.378 59.379 58.000 0.001 0.000 1.264 142 F CB -0.761 38.229 39.000 -0.016 0.000 1.001 142 F HN -0.078 nan 8.300 nan 0.000 0.479 143 K N -0.011 120.512 120.400 0.204 0.000 2.211 143 K HA -0.111 4.209 4.320 0.001 0.000 0.203 143 K C 2.163 178.813 176.600 0.084 0.000 1.050 143 K CA 1.474 57.834 56.287 0.121 0.000 0.945 143 K CB -0.385 32.173 32.500 0.097 0.000 0.732 143 K HN 0.334 nan 8.250 nan 0.000 0.451 144 S N 0.212 115.954 115.700 0.069 0.000 2.461 144 S HA 0.033 4.504 4.470 0.001 0.000 0.228 144 S C 1.986 176.616 174.600 0.051 0.000 1.005 144 S CA 0.609 58.837 58.200 0.047 0.000 0.942 144 S CB 0.212 63.429 63.200 0.028 0.000 0.776 144 S HN 0.249 nan 8.310 nan 0.000 0.514 145 A N -0.489 122.373 122.820 0.070 0.000 2.169 145 A HA 0.483 4.804 4.320 0.001 0.000 0.210 145 A C 0.864 178.491 177.584 0.073 0.000 1.168 145 A CA 0.272 52.351 52.037 0.070 0.000 0.813 145 A CB -0.376 18.675 19.000 0.085 0.000 0.861 145 A HN 0.631 nan 8.150 nan 0.000 0.481 146 C N 0.147 119.495 119.300 0.080 0.000 2.783 146 C HA 0.533 4.993 4.460 0.001 0.000 0.312 146 C C 0.348 175.369 174.990 0.052 0.000 1.182 146 C CA -0.161 58.894 59.018 0.063 0.000 1.432 146 C CB 1.451 29.230 27.740 0.065 0.000 1.933 146 C HN 0.597 nan 8.230 nan 0.000 0.473 147 D N 2.708 123.130 120.400 0.038 0.000 2.347 147 D HA 0.074 4.715 4.640 0.001 0.000 0.213 147 D C 0.320 176.636 176.300 0.026 0.000 0.985 147 D CA 0.568 54.587 54.000 0.031 0.000 0.879 147 D CB 0.095 40.908 40.800 0.023 0.000 0.919 147 D HN 0.463 nan 8.370 nan 0.000 0.526 148 L N 1.100 122.337 121.223 0.023 0.000 2.471 148 L HA 0.387 4.728 4.340 0.001 0.000 0.263 148 L C -1.649 175.228 176.870 0.012 0.000 0.985 148 L CA -0.714 54.134 54.840 0.014 0.000 0.868 148 L CB 1.844 43.907 42.059 0.006 0.000 1.203 148 L HN -0.242 nan 8.230 nan 0.000 0.429 149 V N 3.639 123.561 119.914 0.013 0.000 2.444 149 V HA 0.348 4.469 4.120 0.001 0.000 0.294 149 V C -0.152 175.943 176.094 0.003 0.000 1.022 149 V CA -0.631 61.669 62.300 0.000 0.000 0.850 149 V CB 2.012 33.843 31.823 0.013 0.000 0.992 149 V HN 0.642 nan 8.190 nan 0.000 0.426 150 E N 4.739 124.947 120.200 0.014 0.000 2.134 150 E HA 0.341 4.692 4.350 0.001 0.000 0.278 150 E C -0.157 176.456 176.600 0.021 0.000 0.959 150 E CA -0.759 55.663 56.400 0.037 0.000 0.783 150 E CB 0.926 30.673 29.700 0.078 0.000 1.095 150 E HN 0.567 nan 8.360 nan 0.000 0.399 151 R N 4.007 124.513 120.500 0.010 0.000 2.419 151 R HA 0.201 4.541 4.340 0.001 0.000 0.305 151 R C 0.592 176.899 176.300 0.012 0.000 1.242 151 R CA 0.205 56.297 56.100 -0.014 0.000 1.105 151 R CB 0.229 30.536 30.300 0.011 0.000 1.116 151 R HN 0.689 nan 8.270 nan 0.000 0.523 152 A N 2.645 125.467 122.820 0.002 0.000 1.933 152 A HA -0.093 4.228 4.320 0.001 0.000 0.218 152 A C 0.698 178.309 177.584 0.045 0.000 1.175 152 A CA 1.667 53.734 52.037 0.050 0.000 0.628 152 A CB -0.029 19.004 19.000 0.055 0.000 0.814 152 A HN 0.739 nan 8.150 nan 0.000 0.444 153 S N -3.359 112.338 115.700 -0.004 0.000 2.724 153 S HA 0.426 4.896 4.470 0.001 0.000 0.278 153 S C 0.551 175.139 174.600 -0.020 0.000 1.190 153 S CA 0.071 58.280 58.200 0.015 0.000 0.860 153 S CB 0.068 63.283 63.200 0.025 0.000 1.206 153 S HN 0.372 nan 8.310 nan 0.000 0.507 154 I N 1.106 121.684 120.570 0.013 0.000 2.567 154 I HA -0.111 4.059 4.170 0.001 0.000 0.257 154 I C 0.502 176.501 176.117 -0.196 0.000 1.184 154 I CA 2.072 63.379 61.300 0.012 0.000 1.451 154 I CB -0.190 37.922 38.000 0.187 0.000 1.089 154 I HN 0.792 nan 8.210 nan 0.000 0.441 155 D N -1.209 119.051 120.400 -0.234 0.000 2.582 155 D HA 0.198 4.838 4.640 0.001 0.000 0.246 155 D C -0.229 175.895 176.300 -0.295 0.000 1.334 155 D CA -0.247 53.499 54.000 -0.423 0.000 0.805 155 D CB -0.034 40.530 40.800 -0.393 0.000 1.087 155 D HN 0.270 nan 8.370 nan 0.000 0.499 156 E N 0.095 120.137 120.200 -0.262 0.000 2.308 156 E HA 0.543 4.894 4.350 0.001 0.000 0.275 156 E C -1.029 175.310 176.600 -0.434 0.000 0.890 156 E CA -1.171 54.999 56.400 -0.383 0.000 0.754 156 E CB 3.142 32.675 29.700 -0.279 0.000 1.207 156 E HN 0.079 nan 8.360 nan 0.000 0.426 157 V N -0.858 118.648 119.914 -0.680 0.000 3.078 157 V HA 0.687 4.808 4.120 0.001 0.000 0.311 157 V C -1.285 174.397 176.094 -0.687 0.000 1.138 157 V CA -0.893 61.053 62.300 -0.589 0.000 1.007 157 V CB 1.460 32.856 31.823 -0.713 0.000 1.045 157 V HN 0.507 nan 8.190 nan 0.000 0.432 158 F N 2.131 121.930 119.950 -0.251 0.000 2.480 158 F HA 0.880 5.407 4.527 0.001 0.000 0.329 158 F C -0.406 175.289 175.800 -0.175 0.000 1.091 158 F CA -0.817 57.095 58.000 -0.147 0.000 0.972 158 F CB 2.026 40.974 39.000 -0.086 0.000 1.150 158 F HN 0.376 nan 8.300 nan 0.000 0.467 159 L N 2.604 123.868 121.223 0.069 0.000 2.385 159 L HA 0.357 4.697 4.340 0.001 0.000 0.273 159 L C -0.950 175.942 176.870 0.038 0.000 0.990 159 L CA -0.598 54.248 54.840 0.010 0.000 0.821 159 L CB 1.700 43.737 42.059 -0.036 0.000 1.279 159 L HN 0.405 nan 8.230 nan 0.000 0.412 160 D N 3.302 123.716 120.400 0.023 0.000 2.443 160 D HA 0.265 4.905 4.640 0.001 0.000 0.221 160 D C 0.437 176.747 176.300 0.016 0.000 1.097 160 D CA -0.078 53.932 54.000 0.017 0.000 0.865 160 D CB 0.812 41.618 40.800 0.012 0.000 1.034 160 D HN 0.453 nan 8.370 nan 0.000 0.511 161 L N 3.128 124.360 121.223 0.014 0.000 2.612 161 L HA 0.238 4.578 4.340 0.001 0.000 0.230 161 L C 2.278 179.155 176.870 0.012 0.000 1.140 161 L CA -0.066 54.782 54.840 0.014 0.000 0.896 161 L CB 0.018 42.083 42.059 0.010 0.000 1.065 161 L HN 0.497 nan 8.230 nan 0.000 0.447 162 G N 1.012 109.815 108.800 0.006 0.000 2.631 162 G HA2 -0.353 3.608 3.960 0.001 0.000 0.219 162 G HA3 -0.353 3.608 3.960 0.001 0.000 0.219 162 G C 1.654 176.576 174.900 0.036 0.000 1.214 162 G CA 0.877 45.979 45.100 0.004 0.000 0.785 162 G HN 0.249 nan 8.290 nan 0.000 0.596 163 R N 0.296 120.812 120.500 0.026 0.000 2.083 163 R HA 0.055 4.396 4.340 0.001 0.000 0.237 163 R C 2.693 179.055 176.300 0.102 0.000 1.137 163 R CA 1.067 57.200 56.100 0.056 0.000 0.951 163 R CB -0.790 29.527 30.300 0.028 0.000 0.851 163 R HN 0.540 nan 8.270 nan 0.000 0.434 164 I N -0.580 120.027 120.570 0.061 0.000 2.179 164 I HA -0.375 3.796 4.170 0.001 0.000 0.242 164 I C 2.079 178.216 176.117 0.033 0.000 1.088 164 I CA 1.268 62.596 61.300 0.048 0.000 1.357 164 I CB -0.360 37.655 38.000 0.026 0.000 1.051 164 I HN 0.193 nan 8.210 nan 0.000 0.409 165 C N 0.219 119.532 119.300 0.021 0.000 2.453 165 C HA -0.183 4.277 4.460 0.001 0.000 0.277 165 C C 2.756 177.734 174.990 -0.020 0.000 1.262 165 C CA 0.397 59.401 59.018 -0.023 0.000 1.718 165 C CB -1.040 26.681 27.740 -0.032 0.000 2.031 165 C HN 0.521 nan 8.230 nan 0.000 0.480 166 F N 2.645 122.535 119.950 -0.101 0.000 2.095 166 F HA -0.163 4.365 4.527 0.001 0.000 0.298 166 F C 2.248 178.001 175.800 -0.079 0.000 1.104 166 F CA 1.934 59.853 58.000 -0.135 0.000 1.232 166 F CB -0.461 38.464 39.000 -0.125 0.000 0.987 166 F HN 0.219 nan 8.300 nan 0.000 0.475 167 N N 0.129 118.958 118.700 0.215 0.000 2.188 167 N HA -0.168 4.573 4.740 0.001 0.000 0.184 167 N C 2.021 177.589 175.510 0.098 0.000 1.018 167 N CA 1.484 54.684 53.050 0.249 0.000 0.858 167 N CB -0.411 38.232 38.487 0.259 0.000 0.989 167 N HN 0.399 nan 8.380 nan 0.000 0.426 168 M N 0.138 119.733 119.600 -0.008 0.000 2.086 168 M HA -0.135 4.346 4.480 0.001 0.000 0.261 168 M C 2.069 178.282 176.300 -0.146 0.000 1.067 168 M CA 1.080 56.337 55.300 -0.072 0.000 1.116 168 M CB -0.239 32.277 32.600 -0.140 0.000 1.348 168 M HN 0.068 nan 8.290 nan 0.000 0.407 169 L N 0.378 121.464 121.223 -0.230 0.000 2.012 169 L HA -0.232 4.108 4.340 0.001 0.000 0.210 169 L C 2.174 178.805 176.870 -0.399 0.000 1.073 169 L CA 1.784 56.440 54.840 -0.306 0.000 0.748 169 L CB -0.208 41.609 42.059 -0.403 0.000 0.891 169 L HN 0.299 nan 8.230 nan 0.000 0.431 170 M N -2.681 116.574 119.600 -0.576 0.000 2.510 170 M HA 0.107 4.588 4.480 0.001 0.000 0.256 170 M C 0.894 176.640 176.300 -0.923 0.000 1.132 170 M CA 0.907 55.704 55.300 -0.837 0.000 1.105 170 M CB -0.141 31.680 32.600 -1.299 0.000 1.375 170 M HN 0.212 nan 8.290 nan 0.000 0.477 171 F N -1.062 118.847 119.950 -0.069 0.000 2.925 171 F HA 0.230 4.758 4.527 0.001 0.000 0.355 171 F C 0.571 176.377 175.800 0.009 0.000 1.073 171 F CA -1.248 56.754 58.000 0.003 0.000 1.127 171 F CB 0.310 39.333 39.000 0.039 0.000 1.123 171 F HN -0.070 nan 8.300 nan 0.000 0.551 172 D N 1.508 121.984 120.400 0.127 0.000 2.346 172 D HA 0.021 4.662 4.640 0.001 0.000 0.260 172 D C 0.435 176.794 176.300 0.097 0.000 1.252 172 D CA 0.520 54.582 54.000 0.103 0.000 0.895 172 D CB 0.417 41.251 40.800 0.055 0.000 1.097 172 D HN 0.107 nan 8.370 nan 0.000 0.489 173 N N 3.152 121.914 118.700 0.104 0.000 2.230 173 N HA -0.011 4.729 4.740 0.001 0.000 0.202 173 N C 0.622 176.181 175.510 0.082 0.000 1.119 173 N CA -0.035 53.067 53.050 0.086 0.000 0.851 173 N CB 0.730 39.265 38.487 0.080 0.000 0.990 173 N HN 0.520 nan 8.380 nan 0.000 0.497 174 E N -0.271 119.989 120.200 0.100 0.000 2.201 174 E HA -0.017 4.334 4.350 0.001 0.000 0.193 174 E C 0.278 176.939 176.600 0.101 0.000 0.957 174 E CA -0.134 56.319 56.400 0.087 0.000 0.858 174 E CB -0.388 29.363 29.700 0.086 0.000 0.816 174 E HN 0.248 nan 8.360 nan 0.000 0.475 175 Y N 2.809 123.114 120.300 0.007 0.000 2.811 175 Y HA -0.116 4.434 4.550 0.001 0.000 0.334 175 Y C 0.237 176.134 175.900 -0.006 0.000 1.247 175 Y CA 0.621 58.719 58.100 -0.002 0.000 1.526 175 Y CB 0.346 38.801 38.460 -0.009 0.000 1.284 175 Y HN -0.135 nan 8.280 nan 0.000 0.586 176 E N 6.101 125.985 120.200 -0.526 0.000 2.187 176 E HA 0.218 4.569 4.350 0.001 0.000 0.268 176 E C 0.109 176.449 176.600 -0.433 0.000 0.896 176 E CA -0.449 55.748 56.400 -0.339 0.000 0.766 176 E CB 1.470 31.030 29.700 -0.234 0.000 1.142 176 E HN 0.757 nan 8.360 nan 0.000 0.408 177 L N 1.325 122.441 121.223 -0.179 0.000 2.202 177 L HA 0.059 4.399 4.340 0.001 0.000 0.205 177 L C 1.109 177.921 176.870 -0.095 0.000 1.083 177 L CA 0.848 55.628 54.840 -0.100 0.000 0.790 177 L CB 0.100 42.152 42.059 -0.013 0.000 0.942 177 L HN 0.607 nan 8.230 nan 0.000 0.452 178 T N -5.809 108.694 114.554 -0.086 0.000 2.821 178 T HA 0.348 4.698 4.350 0.001 0.000 0.306 178 T C 0.635 175.297 174.700 -0.064 0.000 1.313 178 T CA -0.118 61.943 62.100 -0.065 0.000 1.012 178 T CB 1.399 70.244 68.868 -0.039 0.000 1.298 178 T HN -0.004 nan 8.240 nan 0.000 0.502 179 G N -0.445 108.324 108.800 -0.051 0.000 2.807 179 G HA2 0.094 4.054 3.960 0.001 0.000 0.207 179 G HA3 0.094 4.054 3.960 0.001 0.000 0.207 179 G C 0.561 175.441 174.900 -0.032 0.000 1.151 179 G CA 0.671 45.745 45.100 -0.044 0.000 0.800 179 G HN 0.824 nan 8.290 nan 0.000 0.523 180 D N -1.467 118.915 120.400 -0.030 0.000 2.516 180 D HA 0.123 4.764 4.640 0.001 0.000 0.241 180 D C -0.341 175.949 176.300 -0.017 0.000 1.246 180 D CA -0.382 53.606 54.000 -0.020 0.000 0.808 180 D CB 0.390 41.181 40.800 -0.015 0.000 1.147 180 D HN 0.112 nan 8.370 nan 0.000 0.527 181 L N 1.070 122.278 121.223 -0.024 0.000 2.482 181 L HA 0.471 4.811 4.340 0.001 0.000 0.269 181 L C -1.117 175.742 176.870 -0.019 0.000 0.967 181 L CA -0.452 54.379 54.840 -0.016 0.000 0.851 181 L CB 1.527 43.579 42.059 -0.013 0.000 1.242 181 L HN -0.282 nan 8.230 nan 0.000 0.404 182 K N 3.270 123.668 120.400 -0.003 0.000 2.098 182 K HA 0.282 4.602 4.320 0.001 0.000 0.261 182 K C 0.686 177.311 176.600 0.042 0.000 0.987 182 K CA -0.740 55.553 56.287 0.010 0.000 0.916 182 K CB 1.801 34.312 32.500 0.018 0.000 1.039 182 K HN 0.615 nan 8.250 nan 0.000 0.455 183 L N 3.597 124.874 121.223 0.091 0.000 2.079 183 L HA -0.222 4.118 4.340 0.001 0.000 0.210 183 L C 2.138 179.044 176.870 0.059 0.000 1.081 183 L CA 1.921 56.830 54.840 0.115 0.000 0.752 183 L CB -0.423 41.759 42.059 0.206 0.000 0.896 183 L HN 0.661 nan 8.230 nan 0.000 0.433 184 K N -1.852 118.578 120.400 0.051 0.000 2.209 184 K HA -0.145 4.175 4.320 0.001 0.000 0.204 184 K C 1.339 177.955 176.600 0.026 0.000 1.048 184 K CA 1.584 57.889 56.287 0.029 0.000 0.940 184 K CB -0.445 32.077 32.500 0.036 0.000 0.729 184 K HN 0.348 nan 8.250 nan 0.000 0.451 185 D N 1.490 121.908 120.400 0.029 0.000 2.162 185 D HA -0.012 4.628 4.640 0.001 0.000 0.205 185 D C 2.112 178.429 176.300 0.028 0.000 0.964 185 D CA 1.348 55.363 54.000 0.026 0.000 0.847 185 D CB -0.138 40.675 40.800 0.021 0.000 0.988 185 D HN 0.361 nan 8.370 nan 0.000 0.480 186 A N 0.979 123.816 122.820 0.029 0.000 1.933 186 A HA -0.079 4.242 4.320 0.001 0.000 0.218 186 A C 2.016 179.627 177.584 0.045 0.000 1.175 186 A CA 0.896 52.950 52.037 0.028 0.000 0.628 186 A CB -0.553 18.460 19.000 0.022 0.000 0.814 186 A HN 0.209 nan 8.150 nan 0.000 0.444 187 L N 0.824 122.075 121.223 0.048 0.000 2.791 187 L HA 0.057 4.398 4.340 0.001 0.000 0.239 187 L C 2.070 178.964 176.870 0.039 0.000 1.203 187 L CA 0.534 55.413 54.840 0.066 0.000 1.002 187 L CB -0.101 41.983 42.059 0.042 0.000 1.295 187 L HN 0.541 nan 8.230 nan 0.000 0.504 188 S N -1.118 114.606 115.700 0.040 0.000 2.419 188 S HA -0.173 4.298 4.470 0.001 0.000 0.233 188 S C 1.544 176.175 174.600 0.051 0.000 1.016 188 S CA 1.323 59.544 58.200 0.035 0.000 0.974 188 S CB -0.153 63.068 63.200 0.036 0.000 0.786 188 S HN 0.459 nan 8.310 nan 0.000 0.492 189 N N 1.586 120.330 118.700 0.074 0.000 2.109 189 N HA 0.106 4.846 4.740 0.001 0.000 0.188 189 N C 1.590 177.168 175.510 0.112 0.000 1.034 189 N CA 1.235 54.344 53.050 0.098 0.000 0.846 189 N CB -0.576 37.981 38.487 0.117 0.000 1.010 189 N HN 0.419 nan 8.380 nan 0.000 0.425 190 I N 1.219 121.844 120.570 0.092 0.000 2.286 190 I HA -0.177 3.993 4.170 0.001 0.000 0.248 190 I C 1.871 178.018 176.117 0.051 0.000 1.115 190 I CA 1.348 62.656 61.300 0.012 0.000 1.392 190 I CB -0.033 37.807 38.000 -0.267 0.000 1.065 190 I HN 0.067 nan 8.210 nan 0.000 0.418 191 R N 0.087 120.583 120.500 -0.007 0.000 2.075 191 R HA -0.135 4.206 4.340 0.001 0.000 0.232 191 R C 2.199 178.541 176.300 0.071 0.000 1.126 191 R CA 1.690 57.777 56.100 -0.023 0.000 0.963 191 R CB -0.384 29.854 30.300 -0.102 0.000 0.858 191 R HN 0.471 nan 8.270 nan 0.000 0.435 192 E N 0.352 120.595 120.200 0.072 0.000 2.150 192 E HA -0.126 4.224 4.350 0.001 0.000 0.193 192 E C 1.955 178.617 176.600 0.104 0.000 0.985 192 E CA 1.001 57.445 56.400 0.073 0.000 0.814 192 E CB 0.004 29.742 29.700 0.063 0.000 0.752 192 E HN 0.349 nan 8.360 nan 0.000 0.466 193 A N 0.742 123.665 122.820 0.170 0.000 1.930 193 A HA -0.168 4.153 4.320 0.001 0.000 0.217 193 A C 1.922 179.635 177.584 0.215 0.000 1.175 193 A CA 0.880 53.046 52.037 0.215 0.000 0.627 193 A CB -0.573 18.649 19.000 0.369 0.000 0.815 193 A HN 0.328 nan 8.150 nan 0.000 0.443 194 F N 1.035 121.058 119.950 0.122 0.000 2.075 194 F HA -0.150 4.377 4.527 0.001 0.000 0.297 194 F C 1.964 177.850 175.800 0.143 0.000 1.113 194 F CA 1.377 59.437 58.000 0.100 0.000 1.218 194 F CB -0.255 38.787 39.000 0.069 0.000 0.984 194 F HN 0.134 nan 8.300 nan 0.000 0.472 195 I N 0.888 121.388 120.570 -0.118 0.000 2.286 195 I HA -0.186 3.985 4.170 0.001 0.000 0.248 195 I C 2.832 178.863 176.117 -0.142 0.000 1.115 195 I CA 1.409 62.594 61.300 -0.191 0.000 1.392 195 I CB -2.343 35.646 38.000 -0.019 0.000 1.065 195 I HN 0.313 nan 8.210 nan 0.000 0.418 196 G N 0.645 109.409 108.800 -0.060 0.000 2.469 196 G HA2 -0.199 3.762 3.960 0.001 0.000 0.220 196 G HA3 -0.199 3.762 3.960 0.001 0.000 0.220 196 G C 1.514 176.321 174.900 -0.155 0.000 1.136 196 G CA 1.265 46.324 45.100 -0.068 0.000 0.759 196 G HN 0.595 nan 8.290 nan 0.000 0.562 197 G N -0.318 108.349 108.800 -0.223 0.000 2.166 197 G HA2 -0.335 3.626 3.960 0.001 0.000 0.260 197 G HA3 -0.335 3.626 3.960 0.001 0.000 0.260 197 G C 0.767 175.300 174.900 -0.612 0.000 0.986 197 G CA 0.827 45.629 45.100 -0.496 0.000 0.683 197 G HN 0.636 nan 8.290 nan 0.000 0.527 198 N N -0.732 117.720 118.700 -0.413 0.000 2.336 198 N HA 0.270 5.011 4.740 0.001 0.000 0.189 198 N C 0.698 176.015 175.510 -0.322 0.000 1.113 198 N CA -0.014 52.850 53.050 -0.309 0.000 0.858 198 N CB 0.118 38.521 38.487 -0.141 0.000 0.970 198 N HN 0.758 nan 8.380 nan 0.000 0.471 199 Y N -0.190 119.900 120.300 -0.350 0.000 2.300 199 Y HA 0.360 4.910 4.550 0.001 0.000 0.328 199 Y C 0.092 175.811 175.900 -0.302 0.000 1.270 199 Y CA -1.634 56.206 58.100 -0.434 0.000 1.352 199 Y CB 0.357 38.125 38.460 -1.154 0.000 1.286 199 Y HN -0.163 nan 8.280 nan 0.000 0.536 200 D N 2.219 122.640 120.400 0.036 0.000 2.280 200 D HA 0.067 4.708 4.640 0.001 0.000 0.243 200 D C 0.642 177.086 176.300 0.239 0.000 1.129 200 D CA -0.475 53.572 54.000 0.080 0.000 0.848 200 D CB 1.081 41.941 40.800 0.100 0.000 1.107 200 D HN 0.711 nan 8.370 nan 0.000 0.471 201 I N 4.196 124.902 120.570 0.227 0.000 2.248 201 I HA -0.263 3.908 4.170 0.001 0.000 0.248 201 I C 1.347 177.640 176.117 0.293 0.000 1.107 201 I CA 1.407 62.893 61.300 0.310 0.000 1.373 201 I CB -0.119 38.007 38.000 0.211 0.000 1.055 201 I HN 0.443 nan 8.210 nan 0.000 0.418 202 N N 0.256 119.088 118.700 0.220 0.000 2.398 202 N HA 0.037 4.778 4.740 0.001 0.000 0.188 202 N C 0.595 176.265 175.510 0.266 0.000 1.122 202 N CA 0.642 53.815 53.050 0.205 0.000 0.866 202 N CB -0.205 38.367 38.487 0.142 0.000 0.970 202 N HN 0.456 nan 8.380 nan 0.000 0.462 203 S N -0.094 115.798 115.700 0.319 0.000 2.617 203 S HA 0.191 4.662 4.470 0.001 0.000 0.269 203 S C 0.063 174.940 174.600 0.461 0.000 1.292 203 S CA -0.663 57.749 58.200 0.352 0.000 1.010 203 S CB 0.946 64.332 63.200 0.311 0.000 0.944 203 S HN 0.187 nan 8.310 nan 0.000 0.536 204 H N 0.519 119.692 119.070 0.172 0.000 2.707 204 H HA 0.247 4.804 4.556 0.001 0.000 0.359 204 H C 0.131 175.496 175.328 0.061 0.000 1.113 204 H CA -0.626 55.483 56.048 0.101 0.000 1.422 204 H CB 0.467 30.271 29.762 0.069 0.000 1.443 204 H HN 0.430 nan 8.280 nan 0.000 0.591 205 L N 3.978 125.164 121.223 -0.061 0.000 2.473 205 L HA 0.099 4.439 4.340 0.001 0.000 0.268 205 L C -1.686 175.217 176.870 0.055 0.000 1.215 205 L CA -1.726 52.910 54.840 -0.339 0.000 0.823 205 L CB 0.031 41.718 42.059 -0.619 0.000 1.099 205 L HN 0.461 nan 8.230 nan 0.000 0.483 206 P HA 0.052 nan 4.420 nan 0.000 0.274 206 P C -0.658 176.847 177.300 0.342 0.000 1.256 206 P CA -0.641 62.594 63.100 0.225 0.000 0.795 206 P CB 0.752 32.587 31.700 0.224 0.000 1.038 207 L N 1.250 122.599 121.223 0.211 0.000 2.456 207 L HA 0.101 4.442 4.340 0.001 0.000 0.272 207 L C 0.800 177.689 176.870 0.032 0.000 1.189 207 L CA -0.243 54.658 54.840 0.101 0.000 0.846 207 L CB -0.511 41.571 42.059 0.039 0.000 1.111 207 L HN 0.250 nan 8.230 nan 0.000 0.475 208 I N 3.658 124.034 120.570 -0.323 0.000 2.815 208 I HA 0.215 4.386 4.170 0.001 0.000 0.291 208 I C -1.967 173.994 176.117 -0.261 0.000 1.209 208 I CA -1.409 59.495 61.300 -0.660 0.000 1.431 208 I CB -0.157 37.262 38.000 -0.969 0.000 1.351 208 I HN 0.487 nan 8.210 nan 0.000 0.585 209 P HA 0.099 nan 4.420 nan 0.000 0.275 209 P C 0.132 177.375 177.300 -0.093 0.000 1.228 209 P CA -0.157 62.908 63.100 -0.058 0.000 0.786 209 P CB 1.073 32.779 31.700 0.009 0.000 0.927 210 E N 2.080 122.246 120.200 -0.057 0.000 2.085 210 E HA -0.188 4.163 4.350 0.001 0.000 0.194 210 E C 1.551 178.120 176.600 -0.052 0.000 0.994 210 E CA 1.596 57.963 56.400 -0.055 0.000 0.801 210 E CB -0.263 29.418 29.700 -0.032 0.000 0.743 210 E HN 0.530 nan 8.360 nan 0.000 0.453 211 K N 0.244 120.623 120.400 -0.035 0.000 2.360 211 K HA -0.128 4.192 4.320 0.001 0.000 0.201 211 K C 1.908 178.488 176.600 -0.034 0.000 1.046 211 K CA 0.370 56.641 56.287 -0.026 0.000 0.945 211 K CB -0.121 32.374 32.500 -0.009 0.000 0.750 211 K HN 0.039 nan 8.250 nan 0.000 0.464 212 I N 1.588 122.120 120.570 -0.062 0.000 2.928 212 I HA -0.142 4.028 4.170 0.001 0.000 0.266 212 I C 1.161 177.226 176.117 -0.086 0.000 1.234 212 I CA 1.184 62.438 61.300 -0.077 0.000 1.483 212 I CB 0.000 37.919 38.000 -0.137 0.000 1.097 212 I HN -0.048 nan 8.210 nan 0.000 0.455 213 K N -0.592 119.760 120.400 -0.079 0.000 2.442 213 K HA -0.052 4.268 4.320 0.001 0.000 0.198 213 K C 2.057 178.638 176.600 -0.031 0.000 1.042 213 K CA 0.982 57.234 56.287 -0.058 0.000 0.958 213 K CB -0.182 32.289 32.500 -0.049 0.000 0.766 213 K HN 0.226 nan 8.250 nan 0.000 0.474 214 S N 0.903 116.586 115.700 -0.028 0.000 2.561 214 S HA -0.011 4.459 4.470 0.001 0.000 0.225 214 S C 0.468 175.062 174.600 -0.009 0.000 0.977 214 S CA -0.203 57.989 58.200 -0.014 0.000 0.926 214 S CB -0.058 63.134 63.200 -0.013 0.000 0.769 214 S HN 0.158 nan 8.310 nan 0.000 0.533 215 L N 3.086 124.294 121.223 -0.024 0.000 2.410 215 L HA 0.353 4.694 4.340 0.001 0.000 0.273 215 L C -0.345 176.489 176.870 -0.061 0.000 1.144 215 L CA 0.412 55.236 54.840 -0.027 0.000 0.863 215 L CB 0.396 42.407 42.059 -0.079 0.000 1.140 215 L HN -0.003 nan 8.230 nan 0.000 0.463 216 K N 4.938 125.328 120.400 -0.017 0.000 2.130 216 K HA 0.363 4.684 4.320 0.001 0.000 0.268 216 K C -0.798 175.787 176.600 -0.024 0.000 0.983 216 K CA -0.514 55.782 56.287 0.015 0.000 0.893 216 K CB 1.059 33.592 32.500 0.056 0.000 1.066 216 K HN 0.339 nan 8.250 nan 0.000 0.450 217 F N 1.451 121.419 119.950 0.029 0.000 2.389 217 F HA 0.095 4.622 4.527 0.001 0.000 0.337 217 F C 0.779 176.599 175.800 0.032 0.000 1.112 217 F CA -0.068 57.946 58.000 0.024 0.000 1.192 217 F CB 0.945 39.952 39.000 0.012 0.000 1.185 217 F HN 0.432 nan 8.300 nan 0.000 0.552 218 E N 1.639 121.977 120.200 0.231 0.000 2.145 218 E HA 0.591 4.942 4.350 0.001 0.000 0.270 218 E C -0.061 176.626 176.600 0.144 0.000 0.906 218 E CA -0.079 56.410 56.400 0.149 0.000 0.761 218 E CB 0.970 30.735 29.700 0.108 0.000 1.116 218 E HN 0.811 nan 8.360 nan 0.000 0.408 219 G N 3.714 112.582 108.800 0.113 0.000 2.422 219 G HA2 -0.102 3.858 3.960 0.001 0.000 0.607 219 G HA3 -0.102 3.858 3.960 0.001 0.000 0.607 219 G C -1.396 173.549 174.900 0.076 0.000 1.270 219 G CA -0.581 44.573 45.100 0.090 0.000 0.992 219 G HN 0.524 nan 8.290 nan 0.000 0.499 220 D N 0.693 121.135 120.400 0.070 0.000 2.339 220 D HA 0.397 5.037 4.640 0.001 0.000 0.241 220 D C 0.453 176.766 176.300 0.021 0.000 1.183 220 D CA -0.041 53.997 54.000 0.062 0.000 0.859 220 D CB 1.618 42.488 40.800 0.116 0.000 1.067 220 D HN 0.383 nan 8.370 nan 0.000 0.484 221 V N 4.004 123.886 119.914 -0.054 0.000 2.387 221 V HA 0.011 4.131 4.120 0.001 0.000 0.260 221 V C 0.448 176.489 176.094 -0.088 0.000 1.054 221 V CA -0.706 61.492 62.300 -0.170 0.000 0.967 221 V CB -0.247 31.355 31.823 -0.367 0.000 1.036 221 V HN 0.365 nan 8.190 nan 0.000 0.481 222 F N 5.899 125.743 119.950 -0.176 0.000 2.504 222 F HA 0.176 4.704 4.527 0.001 0.000 0.365 222 F C 0.721 176.458 175.800 -0.104 0.000 1.140 222 F CA 0.362 58.288 58.000 -0.124 0.000 1.077 222 F CB -0.055 38.844 39.000 -0.169 0.000 1.106 222 F HN 0.592 nan 8.300 nan 0.000 0.578 223 N N 7.653 126.087 118.700 -0.444 0.000 2.711 223 N HA 0.284 5.025 4.740 0.001 0.000 0.263 223 N C -1.871 173.431 175.510 -0.348 0.000 1.667 223 N CA -1.451 51.409 53.050 -0.316 0.000 0.785 223 N CB 0.615 38.987 38.487 -0.191 0.000 1.231 223 N HN 0.216 nan 8.380 nan 0.000 0.503 224 P HA -0.095 nan 4.420 nan 0.000 0.216 224 P C 0.385 177.588 177.300 -0.161 0.000 1.153 224 P CA 1.146 64.052 63.100 -0.323 0.000 0.848 224 P CB 0.481 31.976 31.700 -0.341 0.000 0.787 225 E N -0.493 119.636 120.200 -0.119 0.000 2.516 225 E HA 0.075 4.425 4.350 0.001 0.000 0.199 225 E C 1.351 177.914 176.600 -0.062 0.000 1.069 225 E CA 0.694 57.055 56.400 -0.065 0.000 0.876 225 E CB -1.053 28.628 29.700 -0.032 0.000 0.843 225 E HN 0.386 nan 8.360 nan 0.000 0.530 226 G N 2.561 111.310 108.800 -0.084 0.000 2.305 226 G HA2 -0.371 3.589 3.960 0.001 0.000 0.287 226 G HA3 -0.371 3.589 3.960 0.001 0.000 0.287 226 G C 0.188 175.058 174.900 -0.050 0.000 1.036 226 G CA 0.533 45.592 45.100 -0.068 0.000 0.887 226 G HN 0.244 nan 8.290 nan 0.000 0.505 227 R N -0.104 120.365 120.500 -0.052 0.000 2.801 227 R HA 0.271 4.611 4.340 0.001 0.000 0.273 227 R C 0.068 176.350 176.300 -0.030 0.000 1.080 227 R CA -0.358 55.721 56.100 -0.034 0.000 1.197 227 R CB 0.455 30.739 30.300 -0.028 0.000 1.109 227 R HN 0.246 nan 8.270 nan 0.000 0.535 228 D N 1.379 121.769 120.400 -0.016 0.000 2.414 228 D HA -0.037 4.604 4.640 0.001 0.000 0.242 228 D C 1.398 177.705 176.300 0.011 0.000 1.129 228 D CA -0.094 53.903 54.000 -0.005 0.000 0.885 228 D CB 0.875 41.673 40.800 -0.004 0.000 1.198 228 D HN 0.210 nan 8.370 nan 0.000 0.437 229 L N 1.653 122.899 121.223 0.039 0.000 1.961 229 L HA -0.054 4.286 4.340 0.001 0.000 0.210 229 L C 1.152 178.152 176.870 0.215 0.000 1.072 229 L CA 1.396 56.308 54.840 0.120 0.000 0.749 229 L CB -0.529 41.648 42.059 0.198 0.000 0.889 229 L HN 0.401 nan 8.230 nan 0.000 0.432 230 I N 0.718 121.368 120.570 0.133 0.000 2.330 230 I HA 0.147 4.317 4.170 0.001 0.000 0.286 230 I C 1.023 177.124 176.117 -0.025 0.000 1.025 230 I CA 0.217 61.550 61.300 0.056 0.000 1.197 230 I CB 0.842 38.827 38.000 -0.025 0.000 1.358 230 I HN 0.243 nan 8.210 nan 0.000 0.467 231 T N 0.136 114.670 114.554 -0.033 0.000 2.969 231 T HA 0.255 4.605 4.350 0.001 0.000 0.258 231 T C 0.366 174.995 174.700 -0.118 0.000 0.962 231 T CA -0.005 62.056 62.100 -0.067 0.000 0.903 231 T CB 0.970 69.823 68.868 -0.026 0.000 1.177 231 T HN 0.416 nan 8.240 nan 0.000 0.511 232 D N -1.492 118.838 120.400 -0.117 0.000 2.677 232 D HA 0.331 4.972 4.640 0.001 0.000 0.298 232 D C -0.571 175.607 176.300 -0.202 0.000 1.250 232 D CA -0.862 53.045 54.000 -0.156 0.000 0.888 232 D CB 0.740 41.604 40.800 0.106 0.000 1.397 232 D HN 0.059 nan 8.370 nan 0.000 0.461 233 W N 0.539 121.873 121.300 0.056 0.000 2.392 233 W HA -0.116 4.544 4.660 0.001 0.000 0.279 233 W C 1.854 178.247 176.519 -0.210 0.000 1.225 233 W CA 1.048 58.327 57.345 -0.109 0.000 1.233 233 W CB -0.040 29.312 29.460 -0.180 0.000 1.122 233 W HN 0.452 nan 8.180 nan 0.000 0.561 234 D N -0.453 119.910 120.400 -0.061 0.000 2.144 234 D HA -0.208 4.433 4.640 0.001 0.000 0.199 234 D C 1.299 177.592 176.300 -0.013 0.000 0.984 234 D CA 1.681 55.576 54.000 -0.174 0.000 0.834 234 D CB -1.010 39.687 40.800 -0.172 0.000 0.955 234 D HN 0.107 nan 8.370 nan 0.000 0.465 235 D N 0.341 120.771 120.400 0.050 0.000 2.144 235 D HA -0.071 4.569 4.640 0.001 0.000 0.200 235 D C 2.320 178.598 176.300 -0.037 0.000 0.978 235 D CA 0.609 54.683 54.000 0.124 0.000 0.833 235 D CB 0.073 40.967 40.800 0.156 0.000 0.961 235 D HN 0.177 nan 8.370 nan 0.000 0.470 236 V N 1.808 121.670 119.914 -0.087 0.000 2.358 236 V HA -0.199 3.921 4.120 0.001 0.000 0.246 236 V C 2.531 178.548 176.094 -0.129 0.000 1.047 236 V CA 0.899 63.119 62.300 -0.133 0.000 1.035 236 V CB -0.208 31.596 31.823 -0.032 0.000 0.658 236 V HN 0.155 nan 8.190 nan 0.000 0.452 237 I N -0.433 120.095 120.570 -0.070 0.000 2.163 237 I HA -0.245 3.925 4.170 0.001 0.000 0.243 237 I C 2.425 178.492 176.117 -0.083 0.000 1.085 237 I CA 1.752 63.001 61.300 -0.086 0.000 1.347 237 I CB -0.991 36.955 38.000 -0.089 0.000 1.044 237 I HN 0.284 nan 8.210 nan 0.000 0.408 238 L N 0.551 121.752 121.223 -0.037 0.000 2.017 238 L HA -0.222 4.119 4.340 0.001 0.000 0.208 238 L C 2.736 179.590 176.870 -0.026 0.000 1.073 238 L CA 1.669 56.542 54.840 0.054 0.000 0.745 238 L CB -0.384 41.820 42.059 0.243 0.000 0.894 238 L HN 0.209 nan 8.230 nan 0.000 0.432 239 A N -0.144 122.456 122.820 -0.367 0.000 1.908 239 A HA -0.216 4.104 4.320 0.001 0.000 0.218 239 A C 2.146 179.540 177.584 -0.317 0.000 1.181 239 A CA 1.524 53.125 52.037 -0.726 0.000 0.627 239 A CB -0.681 17.669 19.000 -1.084 0.000 0.818 239 A HN 0.455 nan 8.150 nan 0.000 0.445 240 L N -0.925 120.142 121.223 -0.260 0.000 2.056 240 L HA -0.099 4.241 4.340 0.001 0.000 0.207 240 L C 2.854 179.638 176.870 -0.144 0.000 1.078 240 L CA 1.032 55.730 54.840 -0.238 0.000 0.749 240 L CB -0.901 41.017 42.059 -0.236 0.000 0.901 240 L HN 0.498 nan 8.230 nan 0.000 0.433 241 G N 0.033 108.779 108.800 -0.089 0.000 2.418 241 G HA2 -0.305 3.656 3.960 0.001 0.000 0.217 241 G HA3 -0.305 3.656 3.960 0.001 0.000 0.217 241 G C 1.811 176.710 174.900 -0.001 0.000 1.158 241 G CA 1.071 46.151 45.100 -0.033 0.000 0.771 241 G HN 0.504 nan 8.290 nan 0.000 0.545 242 S N -0.022 115.691 115.700 0.022 0.000 2.399 242 S HA -0.130 4.341 4.470 0.001 0.000 0.231 242 S C 2.186 176.814 174.600 0.048 0.000 1.022 242 S CA 1.551 59.791 58.200 0.067 0.000 0.983 242 S CB -0.265 63.026 63.200 0.153 0.000 0.803 242 S HN 0.344 nan 8.310 nan 0.000 0.480 243 Q N 1.006 120.813 119.800 0.012 0.000 2.079 243 Q HA 0.050 4.391 4.340 0.001 0.000 0.200 243 Q C 2.599 178.616 176.000 0.029 0.000 0.974 243 Q CA 1.333 57.154 55.803 0.031 0.000 0.840 243 Q CB -0.991 27.751 28.738 0.007 0.000 0.898 243 Q HN 0.555 nan 8.270 nan 0.000 0.430 244 V N 0.412 120.326 119.914 -0.000 0.000 2.343 244 V HA -0.294 3.826 4.120 0.001 0.000 0.247 244 V C 2.543 178.661 176.094 0.041 0.000 1.051 244 V CA 1.542 63.851 62.300 0.014 0.000 1.036 244 V CB -0.708 31.115 31.823 -0.001 0.000 0.654 244 V HN 0.363 nan 8.190 nan 0.000 0.451 245 C N -0.291 119.036 119.300 0.044 0.000 2.413 245 C HA -0.162 4.298 4.460 0.001 0.000 0.276 245 C C 2.860 177.891 174.990 0.069 0.000 1.236 245 C CA 1.505 60.560 59.018 0.061 0.000 1.735 245 C CB -0.781 26.992 27.740 0.055 0.000 2.031 245 C HN 0.550 nan 8.230 nan 0.000 0.474 246 K N 1.170 121.607 120.400 0.062 0.000 2.103 246 K HA -0.059 4.262 4.320 0.001 0.000 0.207 246 K C 1.949 178.583 176.600 0.057 0.000 1.048 246 K CA 1.928 58.252 56.287 0.062 0.000 0.930 246 K CB -0.889 31.648 32.500 0.063 0.000 0.716 246 K HN 0.456 nan 8.250 nan 0.000 0.444 247 G N 0.482 109.315 108.800 0.056 0.000 2.418 247 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 247 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 247 G C 1.600 176.527 174.900 0.046 0.000 1.158 247 G CA 1.000 46.129 45.100 0.049 0.000 0.771 247 G HN 0.327 nan 8.290 nan 0.000 0.545 248 I N 0.067 120.674 120.570 0.063 0.000 2.202 248 I HA -0.111 4.060 4.170 0.001 0.000 0.242 248 I C 3.021 179.173 176.117 0.059 0.000 1.091 248 I CA 0.847 62.191 61.300 0.074 0.000 1.368 248 I CB -0.190 37.899 38.000 0.148 0.000 1.058 248 I HN 0.072 nan 8.210 nan 0.000 0.410 249 R N 0.621 121.171 120.500 0.084 0.000 2.120 249 R HA -0.154 4.186 4.340 0.001 0.000 0.234 249 R C 1.787 178.110 176.300 0.038 0.000 1.123 249 R CA 1.367 57.513 56.100 0.076 0.000 0.975 249 R CB -0.335 30.016 30.300 0.084 0.000 0.866 249 R HN 0.354 nan 8.270 nan 0.000 0.446 250 D N 0.024 120.443 120.400 0.032 0.000 2.178 250 D HA -0.072 4.568 4.640 0.001 0.000 0.202 250 D C 1.834 178.133 176.300 -0.001 0.000 0.974 250 D CA 1.150 55.161 54.000 0.018 0.000 0.841 250 D CB -0.075 40.738 40.800 0.022 0.000 0.953 250 D HN 0.038 nan 8.370 nan 0.000 0.478 251 S N 0.452 116.145 115.700 -0.012 0.000 2.368 251 S HA -0.087 4.384 4.470 0.001 0.000 0.225 251 S C 2.025 176.587 174.600 -0.064 0.000 1.030 251 S CA 0.367 58.545 58.200 -0.037 0.000 0.999 251 S CB 0.057 63.230 63.200 -0.044 0.000 0.844 251 S HN 0.207 nan 8.310 nan 0.000 0.459 252 I N 1.710 122.228 120.570 -0.086 0.000 2.163 252 I HA -0.141 4.029 4.170 0.001 0.000 0.243 252 I C 2.436 178.533 176.117 -0.032 0.000 1.085 252 I CA 1.459 62.703 61.300 -0.093 0.000 1.347 252 I CB -1.083 36.858 38.000 -0.098 0.000 1.044 252 I HN 0.211 nan 8.210 nan 0.000 0.408 253 K N 1.439 121.834 120.400 -0.009 0.000 2.026 253 K HA -0.178 4.142 4.320 0.001 0.000 0.208 253 K C 1.676 178.249 176.600 -0.045 0.000 1.048 253 K CA 1.678 57.959 56.287 -0.011 0.000 0.929 253 K CB -0.294 32.213 32.500 0.012 0.000 0.713 253 K HN 0.225 nan 8.250 nan 0.000 0.439 254 D N -0.147 120.231 120.400 -0.037 0.000 2.117 254 D HA -0.088 4.552 4.640 0.001 0.000 0.198 254 D C 1.971 178.238 176.300 -0.056 0.000 0.982 254 D CA 1.279 55.255 54.000 -0.040 0.000 0.828 254 D CB -0.001 40.784 40.800 -0.025 0.000 0.967 254 D HN 0.295 nan 8.370 nan 0.000 0.464 255 I N -0.082 120.451 120.570 -0.062 0.000 2.400 255 I HA -0.095 4.076 4.170 0.001 0.000 0.248 255 I C 1.983 178.041 176.117 -0.099 0.000 1.109 255 I CA 0.700 61.961 61.300 -0.066 0.000 1.425 255 I CB 0.134 38.101 38.000 -0.054 0.000 1.094 255 I HN -0.087 nan 8.210 nan 0.000 0.425 256 L N -0.528 120.609 121.223 -0.144 0.000 2.609 256 L HA 0.400 4.740 4.340 0.001 0.000 0.230 256 L C 1.594 178.123 176.870 -0.567 0.000 1.087 256 L CA 0.592 55.253 54.840 -0.298 0.000 0.874 256 L CB 0.144 42.092 42.059 -0.186 0.000 1.114 256 L HN 0.393 nan 8.230 nan 0.000 0.488 257 G N -0.500 108.094 108.800 -0.343 0.000 2.176 257 G HA2 -0.293 3.667 3.960 0.001 0.000 0.253 257 G HA3 -0.293 3.667 3.960 0.001 0.000 0.253 257 G C -0.121 174.655 174.900 -0.207 0.000 0.979 257 G CA -0.257 44.677 45.100 -0.276 0.000 0.641 257 G HN 0.188 nan 8.290 nan 0.000 0.530 258 Y N 1.987 122.327 120.300 0.066 0.000 2.299 258 Y HA 0.545 5.095 4.550 0.001 0.000 0.326 258 Y C 1.372 177.317 175.900 0.076 0.000 1.164 258 Y CA -0.376 57.786 58.100 0.102 0.000 1.234 258 Y CB 0.902 39.466 38.460 0.174 0.000 1.219 258 Y HN 0.287 nan 8.280 nan 0.000 0.497 259 T N -1.007 113.700 114.554 0.255 0.000 2.902 259 T HA 0.782 5.132 4.350 0.001 0.000 0.280 259 T C -0.075 174.708 174.700 0.139 0.000 0.992 259 T CA -0.637 61.550 62.100 0.146 0.000 1.015 259 T CB 1.495 70.423 68.868 0.100 0.000 1.044 259 T HN 0.715 nan 8.240 nan 0.000 0.520 260 T N -1.694 112.912 114.554 0.087 0.000 2.868 260 T HA 0.680 5.031 4.350 0.001 0.000 0.306 260 T C -0.496 174.219 174.700 0.026 0.000 1.224 260 T CA -0.874 61.264 62.100 0.064 0.000 1.012 260 T CB 1.429 70.353 68.868 0.093 0.000 1.221 260 T HN 1.076 nan 8.240 nan 0.000 0.499 261 S N -0.066 115.636 115.700 0.003 0.000 2.537 261 S HA 0.772 5.242 4.470 0.001 0.000 0.301 261 S C -0.370 174.235 174.600 0.009 0.000 1.092 261 S CA -0.886 57.317 58.200 0.004 0.000 1.048 261 S CB 1.180 64.376 63.200 -0.007 0.000 1.053 261 S HN 1.294 nan 8.310 nan 0.000 0.501 262 C N 2.071 121.390 119.300 0.031 0.000 2.698 262 C HA 0.919 5.379 4.460 0.001 0.000 0.309 262 C C 0.207 175.227 174.990 0.049 0.000 1.186 262 C CA 0.128 59.161 59.018 0.024 0.000 1.474 262 C CB 0.619 28.375 27.740 0.025 0.000 2.020 262 C HN 1.259 nan 8.230 nan 0.000 0.474 263 G N 4.159 112.991 108.800 0.052 0.000 2.530 263 G HA2 0.653 4.613 3.960 0.001 0.000 0.316 263 G HA3 0.653 4.613 3.960 0.001 0.000 0.316 263 G C -1.867 173.046 174.900 0.022 0.000 1.298 263 G CA -0.318 44.805 45.100 0.038 0.000 0.948 263 G HN 0.822 nan 8.290 nan 0.000 0.486 264 L N 2.590 123.802 121.223 -0.018 0.000 2.381 264 L HA 0.815 5.155 4.340 0.001 0.000 0.274 264 L C 0.243 177.081 176.870 -0.052 0.000 0.988 264 L CA -0.179 54.657 54.840 -0.006 0.000 0.824 264 L CB 1.738 43.813 42.059 0.026 0.000 1.263 264 L HN 0.875 nan 8.230 nan 0.000 0.410 265 S N 1.097 116.774 115.700 -0.037 0.000 2.815 265 S HA 0.401 4.872 4.470 0.001 0.000 0.296 265 S C 0.250 174.830 174.600 -0.033 0.000 1.224 265 S CA 0.137 58.300 58.200 -0.062 0.000 0.938 265 S CB 0.814 63.943 63.200 -0.118 0.000 1.285 265 S HN 0.620 nan 8.310 nan 0.000 0.549 266 S N 0.060 115.737 115.700 -0.038 0.000 2.556 266 S HA 0.399 4.870 4.470 0.001 0.000 0.216 266 S C 0.588 175.165 174.600 -0.037 0.000 0.970 266 S CA 0.502 58.681 58.200 -0.034 0.000 0.912 266 S CB -0.816 62.367 63.200 -0.029 0.000 0.790 266 S HN 1.501 nan 8.310 nan 0.000 0.504 267 T N -1.790 112.738 114.554 -0.044 0.000 2.883 267 T HA 0.486 4.836 4.350 0.001 0.000 0.301 267 T C 0.238 174.890 174.700 -0.080 0.000 1.158 267 T CA -1.009 61.049 62.100 -0.070 0.000 1.007 267 T CB 1.825 70.652 68.868 -0.068 0.000 1.186 267 T HN -0.106 nan 8.240 nan 0.000 0.499 268 K N 1.025 121.316 120.400 -0.181 0.000 2.026 268 K HA -0.124 4.197 4.320 0.001 0.000 0.208 268 K C 1.808 178.364 176.600 -0.073 0.000 1.048 268 K CA 1.758 57.890 56.287 -0.258 0.000 0.929 268 K CB -0.399 31.629 32.500 -0.787 0.000 0.713 268 K HN 0.551 nan 8.250 nan 0.000 0.439 269 N N 0.624 119.270 118.700 -0.089 0.000 2.104 269 N HA -0.143 4.597 4.740 0.001 0.000 0.190 269 N C 1.756 177.298 175.510 0.052 0.000 1.024 269 N CA 1.064 54.120 53.050 0.011 0.000 0.853 269 N CB -0.195 38.289 38.487 -0.004 0.000 1.008 269 N HN -0.086 nan 8.380 nan 0.000 0.424 270 V N -0.134 119.789 119.914 0.015 0.000 2.515 270 V HA -0.228 3.893 4.120 0.001 0.000 0.250 270 V C 2.218 178.291 176.094 -0.035 0.000 1.058 270 V CA 1.073 63.376 62.300 0.006 0.000 1.064 270 V CB -0.557 31.234 31.823 -0.054 0.000 0.675 270 V HN 0.494 nan 8.190 nan 0.000 0.461 271 C N -0.278 119.026 119.300 0.007 0.000 2.453 271 C HA -0.153 4.308 4.460 0.001 0.000 0.277 271 C C 2.807 177.821 174.990 0.039 0.000 1.262 271 C CA 1.430 60.480 59.018 0.053 0.000 1.718 271 C CB -0.779 27.075 27.740 0.191 0.000 2.031 271 C HN 0.586 nan 8.230 nan 0.000 0.480 272 K N 0.523 120.894 120.400 -0.047 0.000 2.057 272 K HA -0.119 4.202 4.320 0.001 0.000 0.207 272 K C 1.915 178.500 176.600 -0.025 0.000 1.049 272 K CA 1.332 57.428 56.287 -0.320 0.000 0.931 272 K CB -0.239 32.057 32.500 -0.340 0.000 0.714 272 K HN 0.457 nan 8.250 nan 0.000 0.440 273 L N 0.273 121.532 121.223 0.060 0.000 2.046 273 L HA -0.161 4.179 4.340 0.001 0.000 0.208 273 L C 2.614 179.683 176.870 0.333 0.000 1.077 273 L CA 1.279 56.208 54.840 0.148 0.000 0.747 273 L CB -0.591 41.429 42.059 -0.065 0.000 0.896 273 L HN 0.289 nan 8.230 nan 0.000 0.432 274 A N 0.139 123.089 122.820 0.218 0.000 1.972 274 A HA -0.184 4.136 4.320 0.001 0.000 0.219 274 A C 2.485 180.193 177.584 0.206 0.000 1.169 274 A CA 1.809 53.940 52.037 0.156 0.000 0.635 274 A CB -0.544 18.342 19.000 -0.189 0.000 0.810 274 A HN 0.540 nan 8.150 nan 0.000 0.446 275 S N -0.016 115.788 115.700 0.174 0.000 2.453 275 S HA -0.067 4.404 4.470 0.001 0.000 0.231 275 S C 1.350 176.059 174.600 0.181 0.000 1.005 275 S CA 1.010 59.311 58.200 0.169 0.000 0.949 275 S CB -0.382 62.947 63.200 0.215 0.000 0.774 275 S HN 0.577 nan 8.310 nan 0.000 0.510 276 N N 0.099 118.933 118.700 0.224 0.000 2.353 276 N HA 0.115 4.855 4.740 0.001 0.000 0.185 276 N C 0.981 176.633 175.510 0.237 0.000 1.098 276 N CA 0.289 53.463 53.050 0.206 0.000 0.872 276 N CB -0.310 38.299 38.487 0.204 0.000 0.970 276 N HN 0.527 nan 8.380 nan 0.000 0.467 277 Y N 1.374 121.797 120.300 0.206 0.000 2.181 277 Y HA -0.040 4.511 4.550 0.001 0.000 0.288 277 Y C 0.747 176.721 175.900 0.123 0.000 1.146 277 Y CA 1.403 59.627 58.100 0.206 0.000 1.164 277 Y CB 0.378 39.031 38.460 0.322 0.000 0.982 277 Y HN -0.284 nan 8.280 nan 0.000 0.515 278 K N 0.912 121.399 120.400 0.145 0.000 2.753 278 K HA 0.149 4.470 4.320 0.001 0.000 0.185 278 K C 0.396 176.996 176.600 0.000 0.000 1.071 278 K CA -0.137 56.166 56.287 0.027 0.000 0.999 278 K CB 0.821 33.396 32.500 0.126 0.000 1.244 278 K HN 0.240 nan 8.250 nan 0.000 0.594 279 K N 0.633 121.007 120.400 -0.043 0.000 2.074 279 K HA -0.155 4.166 4.320 0.001 0.000 0.209 279 K C -1.228 175.172 176.600 -0.335 0.000 1.048 279 K CA 1.529 57.750 56.287 -0.110 0.000 0.926 279 K CB -0.383 32.104 32.500 -0.021 0.000 0.713 279 K HN 0.271 nan 8.250 nan 0.000 0.444 280 P HA -0.164 nan 4.420 nan 0.000 0.209 280 P C -0.253 176.891 177.300 -0.259 0.000 1.053 280 P CA 1.206 63.962 63.100 -0.574 0.000 0.855 280 P CB 0.109 31.589 31.700 -0.368 0.000 0.566 281 D N -1.027 119.292 120.400 -0.135 0.000 2.460 281 D HA 0.531 5.172 4.640 0.001 0.000 0.268 281 D C -1.222 175.069 176.300 -0.015 0.000 1.153 281 D CA -0.540 53.431 54.000 -0.049 0.000 0.929 281 D CB -0.577 40.212 40.800 -0.019 0.000 1.015 281 D HN 0.232 nan 8.370 nan 0.000 0.502 282 A N 2.651 125.470 122.820 -0.002 0.000 2.564 282 A HA 0.759 5.080 4.320 0.001 0.000 0.288 282 A C -1.339 176.276 177.584 0.052 0.000 1.164 282 A CA -0.867 51.189 52.037 0.032 0.000 0.712 282 A CB 1.706 20.733 19.000 0.045 0.000 1.303 282 A HN 0.343 nan 8.150 nan 0.000 0.418 283 Q N 0.465 120.306 119.800 0.068 0.000 2.303 283 Q HA 0.545 4.886 4.340 0.001 0.000 0.267 283 Q C -1.523 174.525 176.000 0.080 0.000 1.011 283 Q CA -0.209 55.635 55.803 0.069 0.000 0.740 283 Q CB 1.655 30.432 28.738 0.066 0.000 1.250 283 Q HN 0.669 nan 8.270 nan 0.000 0.458 284 T N 4.923 119.523 114.554 0.077 0.000 2.758 284 T HA 0.466 4.817 4.350 0.001 0.000 0.285 284 T C -0.340 174.340 174.700 -0.033 0.000 0.981 284 T CA -0.465 61.670 62.100 0.057 0.000 0.965 284 T CB 0.435 69.370 68.868 0.113 0.000 0.927 284 T HN 0.452 nan 8.240 nan 0.000 0.448 285 I N 4.048 124.585 120.570 -0.054 0.000 2.321 285 I HA 0.344 4.514 4.170 0.001 0.000 0.291 285 I C -0.133 175.869 176.117 -0.192 0.000 0.998 285 I CA -0.952 60.285 61.300 -0.105 0.000 1.227 285 I CB 1.237 39.181 38.000 -0.093 0.000 1.368 285 I HN 0.307 nan 8.210 nan 0.000 0.466 286 V N 7.271 127.034 119.914 -0.252 0.000 2.293 286 V HA 0.268 4.388 4.120 0.001 0.000 0.275 286 V C 0.569 176.565 176.094 -0.164 0.000 1.021 286 V CA -0.981 61.139 62.300 -0.301 0.000 0.815 286 V CB 0.865 32.302 31.823 -0.644 0.000 1.025 286 V HN 0.649 nan 8.190 nan 0.000 0.448 287 K N 2.642 122.973 120.400 -0.114 0.000 2.336 287 K HA 0.134 4.455 4.320 0.001 0.000 0.262 287 K C 1.132 177.729 176.600 -0.004 0.000 0.992 287 K CA 0.105 56.366 56.287 -0.044 0.000 0.927 287 K CB 0.726 33.194 32.500 -0.054 0.000 0.956 287 K HN 0.561 nan 8.250 nan 0.000 0.495 288 N N 1.046 119.769 118.700 0.038 0.000 2.166 288 N HA -0.165 4.575 4.740 0.001 0.000 0.186 288 N C 0.538 176.085 175.510 0.061 0.000 1.019 288 N CA 0.875 53.961 53.050 0.060 0.000 0.856 288 N CB 0.077 38.636 38.487 0.120 0.000 0.993 288 N HN 0.456 nan 8.380 nan 0.000 0.426 289 D N -0.270 120.165 120.400 0.058 0.000 2.348 289 D HA -0.002 4.639 4.640 0.001 0.000 0.216 289 D C 0.660 176.992 176.300 0.053 0.000 0.970 289 D CA 0.614 54.643 54.000 0.048 0.000 0.889 289 D CB -0.024 40.797 40.800 0.036 0.000 0.912 289 D HN 0.344 nan 8.370 nan 0.000 0.524 290 C N 0.082 119.420 119.300 0.063 0.000 3.000 290 C HA 0.307 4.768 4.460 0.001 0.000 0.286 290 C C 2.394 177.485 174.990 0.168 0.000 1.343 290 C CA -0.573 58.518 59.018 0.122 0.000 1.742 290 C CB -0.937 26.882 27.740 0.132 0.000 2.200 290 C HN 0.310 nan 8.230 nan 0.000 0.621 291 L N 0.350 121.638 121.223 0.108 0.000 2.046 291 L HA -0.147 4.193 4.340 0.001 0.000 0.208 291 L C 2.409 179.382 176.870 0.172 0.000 1.077 291 L CA 1.681 56.593 54.840 0.120 0.000 0.747 291 L CB -0.317 41.784 42.059 0.071 0.000 0.896 291 L HN 0.421 nan 8.230 nan 0.000 0.432 292 L N -0.959 120.344 121.223 0.134 0.000 2.131 292 L HA -0.149 4.192 4.340 0.001 0.000 0.206 292 L C 2.162 179.133 176.870 0.168 0.000 1.087 292 L CA 0.744 55.657 54.840 0.121 0.000 0.767 292 L CB -0.741 41.362 42.059 0.074 0.000 0.917 292 L HN 0.248 nan 8.230 nan 0.000 0.441 293 D N 0.209 120.739 120.400 0.216 0.000 2.149 293 D HA -0.230 4.410 4.640 0.001 0.000 0.198 293 D C 1.874 178.467 176.300 0.489 0.000 0.990 293 D CA 1.356 55.538 54.000 0.303 0.000 0.839 293 D CB -0.204 40.777 40.800 0.303 0.000 0.948 293 D HN 0.224 nan 8.370 nan 0.000 0.460 294 F N 0.897 120.979 119.950 0.219 0.000 2.149 294 F HA 0.046 4.574 4.527 0.001 0.000 0.294 294 F C 2.050 177.860 175.800 0.018 0.000 1.095 294 F CA 0.794 58.689 58.000 -0.176 0.000 1.276 294 F CB -0.228 38.529 39.000 -0.405 0.000 1.023 294 F HN -0.154 nan 8.300 nan 0.000 0.480 295 L N -0.109 121.137 121.223 0.038 0.000 2.465 295 L HA -0.117 4.224 4.340 0.001 0.000 0.224 295 L C 0.859 177.776 176.870 0.078 0.000 1.145 295 L CA 0.869 55.711 54.840 0.002 0.000 0.834 295 L CB -0.485 41.631 42.059 0.095 0.000 0.944 295 L HN 0.125 nan 8.230 nan 0.000 0.451 296 D N -1.444 119.005 120.400 0.082 0.000 2.398 296 D HA 0.006 4.647 4.640 0.001 0.000 0.210 296 D C 1.934 178.269 176.300 0.059 0.000 1.094 296 D CA 0.350 54.391 54.000 0.069 0.000 0.839 296 D CB 0.110 40.953 40.800 0.071 0.000 0.963 296 D HN 0.419 nan 8.370 nan 0.000 0.506 297 C N -0.313 119.029 119.300 0.070 0.000 2.413 297 C HA 0.230 4.690 4.460 0.001 0.000 0.292 297 C C 1.964 176.950 174.990 -0.007 0.000 1.435 297 C CA 0.668 59.745 59.018 0.099 0.000 1.791 297 C CB -1.007 26.859 27.740 0.211 0.000 1.784 297 C HN 0.435 nan 8.230 nan 0.000 0.548 298 G N 0.272 109.022 108.800 -0.082 0.000 2.339 298 G HA2 -0.218 3.743 3.960 0.001 0.000 0.209 298 G HA3 -0.218 3.743 3.960 0.001 0.000 0.209 298 G C 0.823 175.585 174.900 -0.230 0.000 1.015 298 G CA 0.223 45.255 45.100 -0.114 0.000 0.635 298 G HN 0.515 nan 8.290 nan 0.000 0.499 299 K N -0.079 120.052 120.400 -0.449 0.000 2.487 299 K HA 0.353 4.674 4.320 0.001 0.000 0.192 299 K C -0.269 175.841 176.600 -0.816 0.000 1.027 299 K CA 0.343 56.236 56.287 -0.657 0.000 1.054 299 K CB 0.019 32.031 32.500 -0.814 0.000 0.824 299 K HN 0.342 nan 8.250 nan 0.000 0.510 300 F N 0.475 120.315 119.950 -0.183 0.000 2.577 300 F HA 0.411 4.938 4.527 0.001 0.000 0.318 300 F C 0.319 175.985 175.800 -0.222 0.000 1.065 300 F CA -1.185 56.672 58.000 -0.239 0.000 0.929 300 F CB 1.538 40.337 39.000 -0.335 0.000 1.237 300 F HN -0.256 nan 8.300 nan 0.000 0.468 301 E N 0.654 120.817 120.200 -0.061 0.000 2.456 301 E HA 0.281 4.632 4.350 0.001 0.000 0.276 301 E C 0.576 177.023 176.600 -0.255 0.000 0.981 301 E CA -0.720 55.611 56.400 -0.115 0.000 0.814 301 E CB 2.221 31.872 29.700 -0.080 0.000 1.382 301 E HN 0.544 nan 8.360 nan 0.000 0.459 302 I N 1.414 121.892 120.570 -0.153 0.000 2.423 302 I HA -0.230 3.940 4.170 0.001 0.000 0.254 302 I C 1.840 177.881 176.117 -0.128 0.000 1.151 302 I CA 2.211 63.441 61.300 -0.116 0.000 1.421 302 I CB -0.316 37.706 38.000 0.036 0.000 1.079 302 I HN 0.631 nan 8.210 nan 0.000 0.431 303 T N -3.578 110.910 114.554 -0.111 0.000 3.148 303 T HA 0.077 4.427 4.350 0.001 0.000 0.253 303 T C 1.725 176.373 174.700 -0.087 0.000 1.134 303 T CA 0.841 62.904 62.100 -0.062 0.000 1.051 303 T CB -0.492 68.352 68.868 -0.040 0.000 0.959 303 T HN 0.236 nan 8.240 nan 0.000 0.525 304 S N 0.756 116.324 115.700 -0.221 0.000 2.489 304 S HA 0.266 4.737 4.470 0.001 0.000 0.228 304 S C 0.106 174.644 174.600 -0.103 0.000 0.995 304 S CA -0.089 58.009 58.200 -0.170 0.000 0.934 304 S CB -0.340 62.746 63.200 -0.189 0.000 0.771 304 S HN 0.506 nan 8.310 nan 0.000 0.522 305 F N 0.343 120.330 119.950 0.063 0.000 2.418 305 F HA 0.232 4.760 4.527 0.001 0.000 0.341 305 F C 1.162 177.051 175.800 0.149 0.000 1.120 305 F CA -2.160 55.896 58.000 0.093 0.000 1.232 305 F CB -0.070 38.965 39.000 0.059 0.000 1.175 305 F HN 0.109 nan 8.300 nan 0.000 0.569 306 W N 2.412 123.850 121.300 0.230 0.000 2.274 306 W HA -0.324 4.336 4.660 0.001 0.000 0.333 306 W C 2.475 179.056 176.519 0.102 0.000 1.290 306 W CA 3.723 61.147 57.345 0.131 0.000 1.208 306 W CB -0.993 28.531 29.460 0.106 0.000 1.155 306 W HN 0.676 nan 8.180 nan 0.000 0.462 307 T N 0.025 114.678 114.554 0.165 0.000 2.962 307 T HA -0.040 4.311 4.350 0.001 0.000 0.270 307 T C 1.489 176.170 174.700 -0.032 0.000 1.088 307 T CA 1.483 63.556 62.100 -0.045 0.000 1.127 307 T CB -0.574 68.344 68.868 0.084 0.000 0.883 307 T HN 0.177 nan 8.240 nan 0.000 0.493 308 L N 1.490 122.749 121.223 0.060 0.000 2.737 308 L HA 0.334 4.674 4.340 0.001 0.000 0.236 308 L C 1.044 177.922 176.870 0.013 0.000 1.219 308 L CA -0.661 54.210 54.840 0.051 0.000 1.021 308 L CB 0.101 42.238 42.059 0.130 0.000 1.291 308 L HN 0.301 nan 8.230 nan 0.000 0.470 309 G N -0.466 108.312 108.800 -0.038 0.000 2.468 309 G HA2 0.536 4.496 3.960 0.001 0.000 0.320 309 G HA3 0.536 4.496 3.960 0.001 0.000 0.320 309 G C 0.383 175.242 174.900 -0.068 0.000 1.137 309 G CA 0.434 45.504 45.100 -0.050 0.000 0.984 309 G HN 0.366 nan 8.290 nan 0.000 0.462 310 G N 1.202 109.975 108.800 -0.045 0.000 2.893 310 G HA2 -0.185 3.775 3.960 0.001 0.000 0.222 310 G HA3 -0.185 3.775 3.960 0.001 0.000 0.222 310 G C 1.183 176.064 174.900 -0.033 0.000 1.345 310 G CA 0.395 45.469 45.100 -0.043 0.000 1.129 310 G HN 1.077 nan 8.290 nan 0.000 0.560 311 V N 1.905 121.797 119.914 -0.037 0.000 2.233 311 V HA -0.206 3.914 4.120 0.001 0.000 0.252 311 V C 2.844 178.930 176.094 -0.013 0.000 1.063 311 V CA 2.689 64.975 62.300 -0.023 0.000 1.032 311 V CB -0.900 30.907 31.823 -0.027 0.000 0.645 311 V HN 0.496 nan 8.190 nan 0.000 0.446 312 L N 0.970 122.183 121.223 -0.017 0.000 2.721 312 L HA -0.040 4.300 4.340 0.001 0.000 0.241 312 L C 2.222 179.094 176.870 0.003 0.000 1.168 312 L CA 0.710 55.548 54.840 -0.004 0.000 0.866 312 L CB -0.954 41.100 42.059 -0.008 0.000 0.996 312 L HN 0.500 nan 8.230 nan 0.000 0.451 313 G N 0.564 109.363 108.800 -0.002 0.000 2.679 313 G HA2 -0.198 3.763 3.960 0.001 0.000 0.212 313 G HA3 -0.198 3.763 3.960 0.001 0.000 0.212 313 G C 1.562 176.467 174.900 0.009 0.000 1.137 313 G CA 0.324 45.424 45.100 0.001 0.000 0.787 313 G HN 0.576 nan 8.290 nan 0.000 0.534 314 K N 0.727 121.135 120.400 0.014 0.000 2.209 314 K HA -0.022 4.299 4.320 0.001 0.000 0.204 314 K C 1.712 178.330 176.600 0.031 0.000 1.048 314 K CA 1.296 57.598 56.287 0.025 0.000 0.940 314 K CB -0.186 32.335 32.500 0.035 0.000 0.729 314 K HN 0.307 nan 8.250 nan 0.000 0.451 315 E N 1.282 121.499 120.200 0.028 0.000 2.265 315 E HA -0.111 4.239 4.350 0.001 0.000 0.196 315 E C 1.792 178.421 176.600 0.048 0.000 0.996 315 E CA 0.696 57.118 56.400 0.037 0.000 0.832 315 E CB -0.231 29.485 29.700 0.028 0.000 0.756 315 E HN 0.360 nan 8.360 nan 0.000 0.491 316 L N 0.453 121.694 121.223 0.030 0.000 2.349 316 L HA -0.203 4.137 4.340 0.001 0.000 0.220 316 L C 2.613 179.500 176.870 0.029 0.000 1.130 316 L CA 0.920 55.771 54.840 0.017 0.000 0.791 316 L CB -0.555 41.504 42.059 -0.001 0.000 0.918 316 L HN 0.267 nan 8.230 nan 0.000 0.444 317 I N -1.980 118.617 120.570 0.045 0.000 2.947 317 I HA -0.100 4.071 4.170 0.001 0.000 0.263 317 I C 2.137 178.310 176.117 0.092 0.000 1.130 317 I CA 1.062 62.396 61.300 0.057 0.000 1.448 317 I CB -0.667 37.360 38.000 0.045 0.000 1.222 317 I HN 0.059 nan 8.210 nan 0.000 0.453 318 D N 1.395 121.848 120.400 0.088 0.000 2.116 318 D HA -0.150 4.490 4.640 0.001 0.000 0.193 318 D C 1.977 178.441 176.300 0.272 0.000 0.998 318 D CA 2.685 56.748 54.000 0.105 0.000 0.836 318 D CB -0.251 40.577 40.800 0.047 0.000 0.951 318 D HN 0.629 nan 8.370 nan 0.000 0.449 319 V N -2.862 117.232 119.914 0.301 0.000 3.542 319 V HA 0.442 4.563 4.120 0.001 0.000 0.296 319 V C 1.220 177.504 176.094 0.317 0.000 1.364 319 V CA 0.278 62.864 62.300 0.476 0.000 1.118 319 V CB -0.623 31.385 31.823 0.308 0.000 0.972 319 V HN 0.247 nan 8.190 nan 0.000 0.430 320 L N 0.262 121.601 121.223 0.193 0.000 3.760 320 L HA -0.130 4.211 4.340 0.001 0.000 0.604 320 L C -0.200 176.617 176.870 -0.089 0.000 1.108 320 L CA 1.743 56.629 54.840 0.077 0.000 0.941 320 L CB -2.735 39.398 42.059 0.124 0.000 1.244 320 L HN 0.664 nan 8.230 nan 0.000 0.789 321 D N 0.802 121.112 120.400 -0.150 0.000 2.163 321 D HA 0.772 5.413 4.640 0.001 0.000 0.248 321 D C 0.987 177.131 176.300 -0.260 0.000 1.035 321 D CA 0.315 54.085 54.000 -0.383 0.000 0.872 321 D CB 1.924 42.605 40.800 -0.199 0.000 1.183 321 D HN 1.491 nan 8.370 nan 0.000 0.445 322 L N 2.576 123.614 121.223 -0.307 0.000 2.742 322 L HA 0.094 4.435 4.340 0.001 0.000 0.275 322 L C -1.332 175.484 176.870 -0.091 0.000 1.141 322 L CA -0.513 54.243 54.840 -0.140 0.000 0.987 322 L CB -1.515 40.490 42.059 -0.089 0.000 1.319 322 L HN 0.323 nan 8.230 nan 0.000 0.478 323 P HA -0.205 nan 4.420 nan 0.000 0.207 323 P C 1.178 178.452 177.300 -0.043 0.000 0.954 323 P CA 2.935 66.007 63.100 -0.047 0.000 0.990 323 P CB 0.006 31.685 31.700 -0.035 0.000 0.721 324 H N -1.754 117.293 119.070 -0.038 0.000 2.989 324 H HA 0.593 5.150 4.556 0.001 0.000 0.284 324 H C 0.476 175.783 175.328 -0.035 0.000 1.440 324 H CA 0.378 56.404 56.048 -0.037 0.000 1.209 324 H CB -1.479 28.263 29.762 -0.033 0.000 1.453 324 H HN 0.380 nan 8.280 nan 0.000 0.550 325 E N 0.468 120.647 120.200 -0.035 0.000 2.378 325 E HA 0.427 4.778 4.350 0.001 0.000 0.282 325 E C 0.040 176.632 176.600 -0.013 0.000 0.910 325 E CA -0.426 55.960 56.400 -0.025 0.000 0.816 325 E CB -0.757 28.930 29.700 -0.021 0.000 1.359 325 E HN 0.658 nan 8.360 nan 0.000 0.397 326 N N 0.918 119.614 118.700 -0.006 0.000 2.707 326 N HA -0.260 4.481 4.740 0.001 0.000 0.253 326 N C 1.262 176.793 175.510 0.035 0.000 0.998 326 N CA 1.365 54.425 53.050 0.016 0.000 0.751 326 N CB -1.026 37.478 38.487 0.028 0.000 0.920 326 N HN 0.822 nan 8.380 nan 0.000 0.539 327 S N -1.671 114.033 115.700 0.006 0.000 2.489 327 S HA 0.048 4.519 4.470 0.001 0.000 0.228 327 S C 1.603 176.255 174.600 0.087 0.000 0.995 327 S CA 0.282 58.496 58.200 0.024 0.000 0.934 327 S CB 0.117 63.306 63.200 -0.018 0.000 0.771 327 S HN 0.474 nan 8.310 nan 0.000 0.522 328 I N 1.874 122.485 120.570 0.068 0.000 2.133 328 I HA -0.144 4.027 4.170 0.001 0.000 0.238 328 I C 2.763 178.942 176.117 0.104 0.000 1.074 328 I CA 1.514 62.874 61.300 0.100 0.000 1.342 328 I CB -0.299 37.750 38.000 0.083 0.000 1.053 328 I HN 0.306 nan 8.210 nan 0.000 0.404 329 K N 0.189 120.635 120.400 0.077 0.000 2.152 329 K HA -0.285 4.036 4.320 0.001 0.000 0.206 329 K C 2.383 179.006 176.600 0.039 0.000 1.048 329 K CA 1.457 57.772 56.287 0.046 0.000 0.933 329 K CB -0.278 32.240 32.500 0.031 0.000 0.721 329 K HN 0.388 nan 8.250 nan 0.000 0.447 330 H N 1.071 120.130 119.070 -0.018 0.000 2.319 330 H HA -0.123 4.434 4.556 0.001 0.000 0.299 330 H C 2.010 177.305 175.328 -0.055 0.000 1.092 330 H CA 2.100 58.114 56.048 -0.057 0.000 1.302 330 H CB -0.097 29.639 29.762 -0.043 0.000 1.373 330 H HN 0.237 nan 8.280 nan 0.000 0.497 331 I N 0.358 121.081 120.570 0.255 0.000 2.226 331 I HA -0.267 3.904 4.170 0.001 0.000 0.245 331 I C 3.051 179.312 176.117 0.241 0.000 1.100 331 I CA 1.133 62.660 61.300 0.378 0.000 1.374 331 I CB -0.358 37.842 38.000 0.333 0.000 1.057 331 I HN 0.196 nan 8.210 nan 0.000 0.413 332 R N 1.278 121.822 120.500 0.072 0.000 2.070 332 R HA -0.191 4.149 4.340 0.001 0.000 0.233 332 R C 2.114 178.382 176.300 -0.053 0.000 1.137 332 R CA 1.882 57.964 56.100 -0.030 0.000 0.945 332 R CB -0.102 30.162 30.300 -0.061 0.000 0.845 332 R HN 0.416 nan 8.270 nan 0.000 0.430 333 E N -0.925 119.203 120.200 -0.120 0.000 2.216 333 E HA -0.075 4.276 4.350 0.001 0.000 0.192 333 E C 1.739 178.150 176.600 -0.315 0.000 0.988 333 E CA 1.324 57.617 56.400 -0.178 0.000 0.834 333 E CB 0.108 29.698 29.700 -0.184 0.000 0.772 333 E HN 0.365 nan 8.360 nan 0.000 0.479 334 T N 0.143 114.373 114.554 -0.539 0.000 2.951 334 T HA -0.090 4.260 4.350 0.001 0.000 0.268 334 T C 0.234 174.312 174.700 -1.037 0.000 1.073 334 T CA 0.761 62.256 62.100 -1.008 0.000 1.134 334 T CB 0.046 67.876 68.868 -1.731 0.000 0.884 334 T HN 0.247 nan 8.240 nan 0.000 0.479 335 W N 1.918 123.183 121.300 -0.058 0.000 2.036 335 W HA 0.284 4.945 4.660 0.001 0.000 0.294 335 W C -2.400 174.209 176.519 0.150 0.000 0.948 335 W CA -2.188 55.184 57.345 0.046 0.000 1.774 335 W CB 0.424 29.932 29.460 0.080 0.000 1.950 335 W HN 0.113 nan 8.180 nan 0.000 0.384 336 P HA -0.092 nan 4.420 nan 0.000 0.220 336 P C 1.113 178.573 177.300 0.267 0.000 1.152 336 P CA 2.236 65.437 63.100 0.169 0.000 0.812 336 P CB 0.406 32.132 31.700 0.042 0.000 0.792 337 D N 0.831 121.371 120.400 0.234 0.000 2.087 337 D HA -0.089 4.551 4.640 0.001 0.000 0.201 337 D C 1.057 177.461 176.300 0.173 0.000 0.980 337 D CA 1.625 55.731 54.000 0.176 0.000 0.849 337 D CB -0.729 40.132 40.800 0.101 0.000 1.001 337 D HN 0.477 nan 8.370 nan 0.000 0.452 338 N N -3.843 114.876 118.700 0.032 0.000 3.243 338 N HA 0.542 5.283 4.740 0.001 0.000 0.280 338 N C 0.784 175.893 175.510 -0.668 0.000 1.545 338 N CA 0.187 52.977 53.050 -0.433 0.000 0.854 338 N CB 1.307 39.640 38.487 -0.258 0.000 1.612 338 N HN 0.287 nan 8.380 nan 0.000 0.577 339 A N -0.341 121.932 122.820 -0.912 0.000 1.898 339 A HA 0.111 4.432 4.320 0.001 0.000 0.216 339 A C 2.015 179.454 177.584 -0.241 0.000 1.181 339 A CA 1.924 53.630 52.037 -0.552 0.000 0.620 339 A CB -1.833 16.914 19.000 -0.422 0.000 0.819 339 A HN 0.810 nan 8.150 nan 0.000 0.442 340 G N -0.457 108.231 108.800 -0.186 0.000 2.503 340 G HA2 -0.339 3.621 3.960 0.001 0.000 0.221 340 G HA3 -0.339 3.621 3.960 0.001 0.000 0.221 340 G C 1.558 176.433 174.900 -0.041 0.000 1.131 340 G CA 1.198 46.242 45.100 -0.093 0.000 0.756 340 G HN 0.682 nan 8.290 nan 0.000 0.572 341 Q N -0.699 119.104 119.800 0.006 0.000 2.061 341 Q HA -0.102 4.238 4.340 0.001 0.000 0.204 341 Q C 2.493 178.523 176.000 0.050 0.000 0.984 341 Q CA 1.352 57.239 55.803 0.140 0.000 0.846 341 Q CB -0.311 28.610 28.738 0.305 0.000 0.902 341 Q HN 0.456 nan 8.270 nan 0.000 0.421 342 L N 0.992 122.075 121.223 -0.234 0.000 2.240 342 L HA -0.081 4.259 4.340 0.001 0.000 0.211 342 L C 2.102 178.785 176.870 -0.312 0.000 1.106 342 L CA 1.612 56.028 54.840 -0.707 0.000 0.793 342 L CB -0.279 41.302 42.059 -0.797 0.000 0.927 342 L HN 0.025 nan 8.230 nan 0.000 0.446 343 K N -0.422 119.879 120.400 -0.166 0.000 2.057 343 K HA -0.171 4.149 4.320 0.001 0.000 0.206 343 K C 1.818 178.385 176.600 -0.054 0.000 1.050 343 K CA 1.596 57.821 56.287 -0.104 0.000 0.935 343 K CB 0.003 32.454 32.500 -0.082 0.000 0.715 343 K HN 0.478 nan 8.250 nan 0.000 0.439 344 E N -0.114 120.080 120.200 -0.010 0.000 2.028 344 E HA -0.200 4.150 4.350 0.001 0.000 0.191 344 E C 1.857 178.488 176.600 0.052 0.000 0.988 344 E CA 1.310 57.727 56.400 0.028 0.000 0.799 344 E CB -0.280 29.463 29.700 0.071 0.000 0.755 344 E HN 0.275 nan 8.360 nan 0.000 0.447 345 F N 1.367 121.298 119.950 -0.031 0.000 2.154 345 F HA -0.243 4.284 4.527 0.001 0.000 0.301 345 F C 2.096 177.856 175.800 -0.067 0.000 1.087 345 F CA 1.048 59.058 58.000 0.016 0.000 1.274 345 F CB -0.004 39.056 39.000 0.099 0.000 1.009 345 F HN 0.001 nan 8.300 nan 0.000 0.485 346 L N 0.223 121.463 121.223 0.028 0.000 2.109 346 L HA -0.121 4.220 4.340 0.001 0.000 0.207 346 L C 1.746 178.533 176.870 -0.139 0.000 1.086 346 L CA 1.738 56.534 54.840 -0.074 0.000 0.760 346 L CB -0.894 41.111 42.059 -0.090 0.000 0.910 346 L HN -0.026 nan 8.230 nan 0.000 0.437 347 D N -0.576 119.763 120.400 -0.101 0.000 2.269 347 D HA -0.040 4.601 4.640 0.001 0.000 0.208 347 D C 2.088 178.321 176.300 -0.111 0.000 0.963 347 D CA 1.112 55.057 54.000 -0.092 0.000 0.864 347 D CB 0.133 40.901 40.800 -0.054 0.000 0.936 347 D HN 0.453 nan 8.370 nan 0.000 0.505 348 A N 0.651 123.381 122.820 -0.151 0.000 1.935 348 A HA -0.061 4.259 4.320 0.001 0.000 0.214 348 A C 1.992 179.450 177.584 -0.210 0.000 1.178 348 A CA 0.703 52.639 52.037 -0.169 0.000 0.640 348 A CB 0.028 18.904 19.000 -0.206 0.000 0.825 348 A HN -0.067 nan 8.150 nan 0.000 0.447 349 K N -0.106 120.117 120.400 -0.295 0.000 2.283 349 K HA -0.006 4.315 4.320 0.001 0.000 0.202 349 K C 1.804 178.223 176.600 -0.301 0.000 1.048 349 K CA 1.074 57.187 56.287 -0.290 0.000 0.948 349 K CB -0.680 31.631 32.500 -0.314 0.000 0.742 349 K HN 0.338 nan 8.250 nan 0.000 0.458 350 V N 1.661 121.393 119.914 -0.303 0.000 2.488 350 V HA -0.096 4.024 4.120 0.001 0.000 0.246 350 V C 1.268 177.348 176.094 -0.022 0.000 1.046 350 V CA 1.929 64.034 62.300 -0.325 0.000 1.053 350 V CB -0.349 31.343 31.823 -0.218 0.000 0.679 350 V HN 0.290 nan 8.190 nan 0.000 0.458 351 K N 1.012 121.391 120.400 -0.035 0.000 2.751 351 K HA 0.490 4.811 4.320 0.001 0.000 0.252 351 K C 0.071 176.679 176.600 0.013 0.000 1.277 351 K CA -0.152 56.142 56.287 0.011 0.000 1.226 351 K CB -0.380 32.113 32.500 -0.012 0.000 1.658 351 K HN 0.728 nan 8.250 nan 0.000 0.303 352 Q N -0.790 119.043 119.800 0.055 0.000 2.456 352 Q HA 0.308 4.649 4.340 0.001 0.000 0.284 352 Q C 0.205 176.249 176.000 0.074 0.000 1.061 352 Q CA -0.364 55.466 55.803 0.045 0.000 0.799 352 Q CB 2.267 31.016 28.738 0.018 0.000 1.445 352 Q HN 0.484 nan 8.270 nan 0.000 0.411 353 S N -1.818 113.908 115.700 0.043 0.000 2.743 353 S HA 0.131 4.601 4.470 0.001 0.000 0.230 353 S C 0.359 174.981 174.600 0.037 0.000 0.950 353 S CA 0.506 58.726 58.200 0.033 0.000 0.976 353 S CB -0.471 62.738 63.200 0.016 0.000 0.779 353 S HN 0.708 nan 8.310 nan 0.000 0.487 354 D N 0.109 120.549 120.400 0.066 0.000 2.599 354 D HA 0.383 5.023 4.640 0.001 0.000 0.249 354 D C -0.572 175.811 176.300 0.137 0.000 1.313 354 D CA -0.575 53.466 54.000 0.069 0.000 0.815 354 D CB -0.059 40.771 40.800 0.051 0.000 1.077 354 D HN 0.532 nan 8.370 nan 0.000 0.492 355 Y N -0.550 119.741 120.300 -0.015 0.000 2.433 355 Y HA 0.471 5.022 4.550 0.001 0.000 0.337 355 Y C -1.294 174.598 175.900 -0.013 0.000 1.026 355 Y CA -0.792 57.300 58.100 -0.014 0.000 1.037 355 Y CB 1.708 40.156 38.460 -0.020 0.000 1.245 355 Y HN 0.031 nan 8.280 nan 0.000 0.443 356 D N 3.465 123.461 120.400 -0.674 0.000 2.408 356 D HA 0.531 5.172 4.640 0.001 0.000 0.243 356 D C 0.901 176.699 176.300 -0.836 0.000 1.075 356 D CA 0.056 53.695 54.000 -0.602 0.000 0.832 356 D CB 1.355 41.995 40.800 -0.266 0.000 1.162 356 D HN 1.038 nan 8.370 nan 0.000 0.515 357 R N 0.706 120.793 120.500 -0.687 0.000 2.083 357 R HA -0.097 4.244 4.340 0.001 0.000 0.237 357 R C 2.518 178.699 176.300 -0.199 0.000 1.137 357 R CA 2.574 58.436 56.100 -0.397 0.000 0.951 357 R CB -1.406 28.787 30.300 -0.178 0.000 0.851 357 R HN 0.520 nan 8.270 nan 0.000 0.434 358 S N 0.274 115.876 115.700 -0.164 0.000 2.363 358 S HA -0.204 4.266 4.470 0.001 0.000 0.218 358 S C 2.322 176.874 174.600 -0.080 0.000 1.035 358 S CA 2.272 60.415 58.200 -0.095 0.000 1.043 358 S CB -0.609 62.542 63.200 -0.081 0.000 0.986 358 S HN 0.912 nan 8.310 nan 0.000 0.423 359 T N 1.593 116.091 114.554 -0.094 0.000 2.393 359 T HA -0.092 4.258 4.350 0.001 0.000 0.231 359 T C 1.348 176.029 174.700 -0.032 0.000 1.377 359 T CA 1.253 63.318 62.100 -0.060 0.000 1.375 359 T CB -1.419 67.412 68.868 -0.062 0.000 0.887 359 T HN 0.471 nan 8.240 nan 0.000 0.386 360 S N 2.535 118.224 115.700 -0.018 0.000 2.858 360 S HA 0.211 4.682 4.470 0.001 0.000 0.328 360 S C 0.276 174.943 174.600 0.111 0.000 1.149 360 S CA -0.208 58.036 58.200 0.074 0.000 1.421 360 S CB -1.516 61.792 63.200 0.180 0.000 1.461 360 S HN 0.652 nan 8.310 nan 0.000 0.587 361 N N 3.118 121.856 118.700 0.063 0.000 2.406 361 N HA 0.263 5.004 4.740 0.001 0.000 0.265 361 N C -0.637 174.924 175.510 0.085 0.000 1.203 361 N CA 0.036 53.124 53.050 0.062 0.000 0.945 361 N CB 0.078 38.580 38.487 0.026 0.000 1.165 361 N HN 0.419 nan 8.380 nan 0.000 0.485 362 I N 2.723 123.370 120.570 0.128 0.000 2.714 362 I HA 0.060 4.230 4.170 0.001 0.000 0.274 362 I C -0.369 175.802 176.117 0.090 0.000 1.261 362 I CA -0.676 60.678 61.300 0.090 0.000 1.008 362 I CB 0.712 38.753 38.000 0.069 0.000 1.289 362 I HN 0.545 nan 8.210 nan 0.000 0.529 363 D N 8.185 128.620 120.400 0.058 0.000 2.854 363 D HA -0.058 4.583 4.640 0.001 0.000 0.243 363 D C -1.080 175.243 176.300 0.037 0.000 1.243 363 D CA -0.269 53.761 54.000 0.048 0.000 0.883 363 D CB 1.316 42.133 40.800 0.029 0.000 1.145 363 D HN 0.284 nan 8.370 nan 0.000 0.555 364 P HA -0.123 nan 4.420 nan 0.000 0.221 364 P C 1.831 179.137 177.300 0.011 0.000 1.150 364 P CA 0.539 63.656 63.100 0.028 0.000 0.800 364 P CB 0.030 31.775 31.700 0.075 0.000 0.787 365 L N -0.089 121.145 121.223 0.018 0.000 2.141 365 L HA 0.087 4.427 4.340 0.001 0.000 0.209 365 L C 2.330 179.201 176.870 0.002 0.000 1.094 365 L CA 2.557 57.402 54.840 0.010 0.000 0.763 365 L CB -2.398 39.669 42.059 0.013 0.000 0.908 365 L HN 0.229 nan 8.230 nan 0.000 0.437 366 K N -0.468 119.933 120.400 0.002 0.000 3.095 366 K HA 0.422 4.742 4.320 0.001 0.000 0.220 366 K C 1.328 177.919 176.600 -0.014 0.000 1.216 366 K CA 0.469 56.755 56.287 -0.002 0.000 1.167 366 K CB -1.205 31.299 32.500 0.006 0.000 1.199 366 K HN 0.555 nan 8.250 nan 0.000 0.458 367 T N 0.323 114.862 114.554 -0.025 0.000 2.915 367 T HA -0.030 4.321 4.350 0.001 0.000 0.269 367 T C 2.399 177.070 174.700 -0.048 0.000 1.071 367 T CA 1.391 63.464 62.100 -0.044 0.000 1.132 367 T CB -0.074 68.762 68.868 -0.053 0.000 0.878 367 T HN 0.687 nan 8.240 nan 0.000 0.479 368 A N 1.932 124.731 122.820 -0.036 0.000 1.933 368 A HA -0.140 4.181 4.320 0.001 0.000 0.218 368 A C 2.044 179.610 177.584 -0.029 0.000 1.175 368 A CA 1.706 53.721 52.037 -0.037 0.000 0.628 368 A CB -0.482 18.503 19.000 -0.025 0.000 0.814 368 A HN 0.354 nan 8.150 nan 0.000 0.444 369 D N -0.208 120.183 120.400 -0.015 0.000 2.091 369 D HA -0.110 4.531 4.640 0.001 0.000 0.199 369 D C 1.913 178.201 176.300 -0.020 0.000 0.980 369 D CA 0.716 54.717 54.000 0.002 0.000 0.831 369 D CB -0.502 40.309 40.800 0.017 0.000 0.987 369 D HN 0.241 nan 8.370 nan 0.000 0.460 370 L N 0.982 122.182 121.223 -0.038 0.000 2.079 370 L HA -0.129 4.211 4.340 0.001 0.000 0.210 370 L C 2.044 178.862 176.870 -0.087 0.000 1.081 370 L CA 1.661 56.462 54.840 -0.064 0.000 0.752 370 L CB -0.951 41.072 42.059 -0.059 0.000 0.896 370 L HN -0.040 nan 8.230 nan 0.000 0.433 371 A N -0.134 122.635 122.820 -0.086 0.000 1.873 371 A HA -0.189 4.132 4.320 0.001 0.000 0.215 371 A C 2.372 179.930 177.584 -0.043 0.000 1.186 371 A CA 2.087 54.063 52.037 -0.102 0.000 0.616 371 A CB -0.914 18.011 19.000 -0.126 0.000 0.823 371 A HN 0.543 nan 8.150 nan 0.000 0.442 372 E N 0.371 120.550 120.200 -0.034 0.000 2.058 372 E HA -0.260 4.091 4.350 0.001 0.000 0.194 372 E C 2.065 178.681 176.600 0.027 0.000 0.997 372 E CA 1.960 58.373 56.400 0.021 0.000 0.801 372 E CB -0.696 29.024 29.700 0.033 0.000 0.746 372 E HN 0.760 nan 8.360 nan 0.000 0.450 373 K N -0.256 120.077 120.400 -0.111 0.000 2.009 373 K HA -0.098 4.222 4.320 0.001 0.000 0.210 373 K C 2.392 178.753 176.600 -0.398 0.000 1.049 373 K CA 1.613 57.619 56.287 -0.467 0.000 0.929 373 K CB -0.369 31.846 32.500 -0.475 0.000 0.714 373 K HN 0.395 nan 8.250 nan 0.000 0.440 374 L N 0.024 121.134 121.223 -0.189 0.000 2.046 374 L HA -0.160 4.180 4.340 0.001 0.000 0.208 374 L C 2.496 179.358 176.870 -0.014 0.000 1.077 374 L CA 1.157 55.937 54.840 -0.100 0.000 0.747 374 L CB -0.536 41.491 42.059 -0.054 0.000 0.896 374 L HN 0.218 nan 8.230 nan 0.000 0.432 375 F N 1.169 121.067 119.950 -0.086 0.000 2.095 375 F HA -0.273 4.255 4.527 0.001 0.000 0.298 375 F C 2.521 178.317 175.800 -0.007 0.000 1.104 375 F CA 1.800 59.790 58.000 -0.017 0.000 1.232 375 F CB -0.072 38.921 39.000 -0.012 0.000 0.987 375 F HN -0.119 nan 8.300 nan 0.000 0.475 376 K N 0.071 120.558 120.400 0.146 0.000 2.062 376 K HA -0.108 4.212 4.320 0.001 0.000 0.205 376 K C 2.140 178.710 176.600 -0.050 0.000 1.051 376 K CA 1.533 57.874 56.287 0.090 0.000 0.941 376 K CB -0.458 32.191 32.500 0.249 0.000 0.719 376 K HN 0.320 nan 8.250 nan 0.000 0.440 377 L N 1.462 122.574 121.223 -0.184 0.000 2.042 377 L HA -0.210 4.130 4.340 0.001 0.000 0.210 377 L C 2.514 179.258 176.870 -0.210 0.000 1.076 377 L CA 1.502 56.104 54.840 -0.396 0.000 0.749 377 L CB -0.567 41.054 42.059 -0.730 0.000 0.893 377 L HN 0.289 nan 8.230 nan 0.000 0.432 378 S N -0.604 115.050 115.700 -0.077 0.000 2.500 378 S HA -0.139 4.332 4.470 0.001 0.000 0.239 378 S C 1.736 176.319 174.600 -0.029 0.000 0.989 378 S CA 0.679 58.893 58.200 0.024 0.000 0.951 378 S CB -0.217 62.976 63.200 -0.011 0.000 0.759 378 S HN 0.461 nan 8.310 nan 0.000 0.523 379 R N 0.011 120.457 120.500 -0.089 0.000 2.476 379 R HA 0.329 4.669 4.340 0.001 0.000 0.276 379 R C 1.155 177.450 176.300 -0.008 0.000 0.941 379 R CA 0.285 56.344 56.100 -0.068 0.000 1.088 379 R CB 0.435 30.646 30.300 -0.148 0.000 1.216 379 R HN 0.460 nan 8.270 nan 0.000 0.533 380 G N 2.171 110.966 108.800 -0.008 0.000 2.198 380 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 380 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 380 G C 0.475 175.381 174.900 0.009 0.000 1.025 380 G CA 0.093 45.196 45.100 0.005 0.000 0.769 380 G HN 0.196 nan 8.290 nan 0.000 0.507 381 R N -0.948 119.566 120.500 0.023 0.000 2.613 381 R HA 0.176 4.517 4.340 0.001 0.000 0.361 381 R C -0.176 176.181 176.300 0.095 0.000 1.072 381 R CA -0.574 55.557 56.100 0.052 0.000 1.089 381 R CB 0.307 30.647 30.300 0.067 0.000 1.343 381 R HN 0.446 nan 8.270 nan 0.000 0.571 382 Y N 1.160 121.416 120.300 -0.074 0.000 2.535 382 Y HA 0.467 5.017 4.550 0.001 0.000 0.349 382 Y C 0.233 176.097 175.900 -0.060 0.000 0.992 382 Y CA -1.128 56.930 58.100 -0.070 0.000 1.248 382 Y CB 0.756 39.133 38.460 -0.138 0.000 1.124 382 Y HN 0.114 nan 8.280 nan 0.000 0.520 383 G N 6.571 115.191 108.800 -0.301 0.000 2.319 383 G HA2 0.490 4.451 3.960 0.001 0.000 0.308 383 G HA3 0.490 4.451 3.960 0.001 0.000 0.308 383 G C -1.612 173.094 174.900 -0.324 0.000 1.117 383 G CA -0.477 44.484 45.100 -0.233 0.000 0.903 383 G HN 0.511 nan 8.290 nan 0.000 0.436 384 L N 4.410 125.401 121.223 -0.386 0.000 2.334 384 L HA 0.625 4.966 4.340 0.001 0.000 0.273 384 L C -1.906 174.561 176.870 -0.672 0.000 1.013 384 L CA -2.322 52.220 54.840 -0.496 0.000 0.816 384 L CB 2.473 44.248 42.059 -0.475 0.000 1.278 384 L HN 0.335 nan 8.230 nan 0.000 0.431 385 P HA 0.194 nan 4.420 nan 0.000 0.276 385 P C -0.916 176.006 177.300 -0.629 0.000 1.244 385 P CA -0.587 61.773 63.100 -1.234 0.000 0.801 385 P CB 0.923 31.798 31.700 -1.375 0.000 1.006 386 L N 1.527 122.482 121.223 -0.446 0.000 2.380 386 L HA 0.209 4.550 4.340 0.001 0.000 0.273 386 L C 1.128 177.860 176.870 -0.231 0.000 1.138 386 L CA 0.830 55.486 54.840 -0.305 0.000 0.832 386 L CB 0.240 42.197 42.059 -0.169 0.000 1.124 386 L HN 0.472 nan 8.230 nan 0.000 0.454 387 S N 0.455 116.045 115.700 -0.183 0.000 2.621 387 S HA 0.831 5.302 4.470 0.001 0.000 0.302 387 S C -0.321 174.249 174.600 -0.050 0.000 1.093 387 S CA -0.832 57.298 58.200 -0.117 0.000 1.017 387 S CB 1.650 64.783 63.200 -0.113 0.000 1.077 387 S HN 0.563 nan 8.310 nan 0.000 0.517 388 S N -0.114 115.572 115.700 -0.024 0.000 2.565 388 S HA 0.783 5.253 4.470 0.001 0.000 0.290 388 S C 0.354 174.974 174.600 0.034 0.000 1.150 388 S CA -0.920 57.287 58.200 0.012 0.000 1.058 388 S CB 0.707 63.916 63.200 0.015 0.000 1.032 388 S HN 1.208 nan 8.310 nan 0.000 0.510 389 R N 1.372 121.911 120.500 0.064 0.000 2.449 389 R HA 0.505 4.845 4.340 0.001 0.000 0.296 389 R C -2.447 173.912 176.300 0.098 0.000 1.047 389 R CA -1.171 54.981 56.100 0.087 0.000 1.018 389 R CB -1.804 28.561 30.300 0.109 0.000 0.962 389 R HN 0.731 nan 8.270 nan 0.000 0.428 390 P HA 0.113 nan 4.420 nan 0.000 0.269 390 P C -0.342 177.026 177.300 0.113 0.000 1.217 390 P CA -0.670 62.477 63.100 0.078 0.000 0.783 390 P CB 0.623 32.367 31.700 0.074 0.000 0.898 391 V N 2.147 122.109 119.914 0.080 0.000 2.763 391 V HA -0.038 4.082 4.120 0.001 0.000 0.306 391 V C 0.595 176.803 176.094 0.190 0.000 1.059 391 V CA -0.166 62.196 62.300 0.103 0.000 1.138 391 V CB 0.597 32.418 31.823 -0.003 0.000 0.940 391 V HN 0.231 nan 8.190 nan 0.000 0.489 392 V N 6.194 126.286 119.914 0.296 0.000 2.521 392 V HA 0.136 4.257 4.120 0.001 0.000 0.286 392 V C 1.157 177.487 176.094 0.394 0.000 1.034 392 V CA -0.079 62.400 62.300 0.297 0.000 1.045 392 V CB 0.961 32.939 31.823 0.259 0.000 0.974 392 V HN 0.859 nan 8.190 nan 0.000 0.480 393 K N 2.522 123.106 120.400 0.307 0.000 2.276 393 K HA 0.194 4.514 4.320 0.001 0.000 0.198 393 K C 0.669 177.329 176.600 0.100 0.000 1.052 393 K CA 0.674 57.088 56.287 0.212 0.000 0.984 393 K CB 0.646 33.199 32.500 0.090 0.000 0.836 393 K HN 0.818 nan 8.250 nan 0.000 0.490 394 S N -0.441 115.395 115.700 0.227 0.000 2.565 394 S HA 0.669 5.140 4.470 0.001 0.000 0.269 394 S C -0.818 173.940 174.600 0.264 0.000 1.153 394 S CA -1.018 57.264 58.200 0.137 0.000 0.835 394 S CB 1.943 65.141 63.200 -0.004 0.000 1.122 394 S HN -0.019 nan 8.310 nan 0.000 0.462 395 M N 2.402 122.159 119.600 0.262 0.000 2.386 395 M HA 0.514 4.995 4.480 0.001 0.000 0.293 395 M C -1.126 175.241 176.300 0.111 0.000 1.120 395 M CA -0.434 54.984 55.300 0.198 0.000 0.909 395 M CB 2.451 35.193 32.600 0.237 0.000 1.661 395 M HN 0.866 nan 8.290 nan 0.000 0.452 396 M N 2.061 121.694 119.600 0.056 0.000 2.464 396 M HA 0.582 5.063 4.480 0.001 0.000 0.308 396 M C -1.408 174.854 176.300 -0.064 0.000 1.127 396 M CA -0.214 55.078 55.300 -0.013 0.000 0.913 396 M CB 2.205 34.789 32.600 -0.027 0.000 1.689 396 M HN 0.685 nan 8.290 nan 0.000 0.445 397 S N 4.780 120.370 115.700 -0.184 0.000 2.659 397 S HA 0.596 5.067 4.470 0.001 0.000 0.312 397 S C -1.374 172.744 174.600 -0.804 0.000 1.114 397 S CA -0.696 57.315 58.200 -0.315 0.000 1.063 397 S CB 0.613 63.696 63.200 -0.197 0.000 0.996 397 S HN 0.968 nan 8.310 nan 0.000 0.478 398 N N 2.212 120.541 118.700 -0.618 0.000 2.831 398 N HA 0.717 5.457 4.740 0.001 0.000 0.276 398 N C -1.690 173.637 175.510 -0.305 0.000 1.416 398 N CA -1.072 51.558 53.050 -0.700 0.000 0.799 398 N CB 1.409 39.697 38.487 -0.332 0.000 1.554 398 N HN 0.331 nan 8.380 nan 0.000 0.541 399 K N 0.269 120.577 120.400 -0.152 0.000 2.565 399 K HA 0.296 4.617 4.320 0.001 0.000 0.251 399 K C -1.949 174.553 176.600 -0.164 0.000 0.956 399 K CA -0.486 55.729 56.287 -0.120 0.000 0.809 399 K CB 1.175 33.506 32.500 -0.283 0.000 1.267 399 K HN 0.577 nan 8.250 nan 0.000 0.438 400 N N 5.062 123.693 118.700 -0.116 0.000 2.406 400 N HA 0.216 4.957 4.740 0.001 0.000 0.251 400 N C -0.543 174.882 175.510 -0.141 0.000 1.069 400 N CA -0.173 52.823 53.050 -0.092 0.000 0.947 400 N CB 0.537 39.000 38.487 -0.041 0.000 1.111 400 N HN 0.466 nan 8.380 nan 0.000 0.497 401 L N 2.836 123.967 121.223 -0.155 0.000 2.371 401 L HA 0.395 4.735 4.340 0.001 0.000 0.272 401 L C 0.934 177.758 176.870 -0.077 0.000 1.124 401 L CA -0.349 54.394 54.840 -0.162 0.000 0.816 401 L CB 0.684 42.638 42.059 -0.175 0.000 1.129 401 L HN 0.239 nan 8.230 nan 0.000 0.448 402 R N 1.323 121.785 120.500 -0.063 0.000 2.740 402 R HA 0.672 5.013 4.340 0.001 0.000 0.282 402 R C 0.352 176.643 176.300 -0.014 0.000 0.969 402 R CA -0.280 55.798 56.100 -0.036 0.000 0.918 402 R CB 1.726 31.992 30.300 -0.057 0.000 1.175 402 R HN 0.812 nan 8.270 nan 0.000 0.464 403 G N 1.979 110.775 108.800 -0.007 0.000 2.596 403 G HA2 -0.391 3.569 3.960 0.001 0.000 0.295 403 G HA3 -0.391 3.569 3.960 0.001 0.000 0.295 403 G C -0.021 174.882 174.900 0.005 0.000 1.240 403 G CA 0.275 45.374 45.100 -0.001 0.000 0.985 403 G HN 0.617 nan 8.290 nan 0.000 0.555 404 K N 0.628 121.033 120.400 0.008 0.000 2.500 404 K HA 0.385 4.706 4.320 0.001 0.000 0.206 404 K C 2.201 178.816 176.600 0.026 0.000 1.034 404 K CA 0.663 56.954 56.287 0.007 0.000 1.179 404 K CB 0.376 32.872 32.500 -0.007 0.000 0.884 404 K HN 0.388 nan 8.250 nan 0.000 0.493 405 S N 0.278 116.015 115.700 0.061 0.000 2.392 405 S HA -0.200 4.270 4.470 0.001 0.000 0.232 405 S C 0.814 175.559 174.600 0.241 0.000 1.041 405 S CA 0.974 59.273 58.200 0.165 0.000 1.026 405 S CB -0.039 63.279 63.200 0.198 0.000 0.845 405 S HN 0.543 nan 8.310 nan 0.000 0.465 406 C N 1.953 121.335 119.300 0.136 0.000 2.814 406 C HA 0.618 5.078 4.460 0.001 0.000 0.269 406 C C 0.315 175.296 174.990 -0.016 0.000 1.090 406 C CA -0.908 58.183 59.018 0.121 0.000 1.492 406 C CB -0.670 27.148 27.740 0.129 0.000 1.825 406 C HN 0.567 nan 8.230 nan 0.000 0.442 407 N N 1.765 120.365 118.700 -0.167 0.000 2.187 407 N HA 0.227 4.968 4.740 0.001 0.000 0.212 407 N C 0.045 175.037 175.510 -0.863 0.000 1.152 407 N CA 0.512 53.358 53.050 -0.339 0.000 0.872 407 N CB 0.607 39.005 38.487 -0.149 0.000 1.025 407 N HN 0.840 nan 8.380 nan 0.000 0.514 408 S N -1.814 113.312 115.700 -0.956 0.000 2.636 408 S HA 0.229 4.700 4.470 0.001 0.000 0.268 408 S C 0.556 174.923 174.600 -0.387 0.000 1.159 408 S CA -0.726 56.944 58.200 -0.883 0.000 0.815 408 S CB 0.091 63.073 63.200 -0.363 0.000 1.130 408 S HN -0.124 nan 8.310 nan 0.000 0.471 409 I N 1.570 122.096 120.570 -0.072 0.000 2.286 409 I HA -0.031 4.140 4.170 0.001 0.000 0.248 409 I C 2.036 178.162 176.117 0.015 0.000 1.115 409 I CA 1.563 62.919 61.300 0.093 0.000 1.392 409 I CB -0.511 37.555 38.000 0.111 0.000 1.065 409 I HN 0.596 nan 8.210 nan 0.000 0.418 410 V N 0.855 120.743 119.914 -0.044 0.000 2.343 410 V HA -0.286 3.835 4.120 0.001 0.000 0.247 410 V C 2.198 178.247 176.094 -0.075 0.000 1.051 410 V CA 2.189 64.454 62.300 -0.060 0.000 1.036 410 V CB -0.945 30.832 31.823 -0.076 0.000 0.654 410 V HN 0.401 nan 8.190 nan 0.000 0.451 411 D N -0.649 119.699 120.400 -0.086 0.000 2.144 411 D HA -0.143 4.498 4.640 0.001 0.000 0.200 411 D C 2.187 178.520 176.300 0.054 0.000 0.978 411 D CA 1.536 55.502 54.000 -0.057 0.000 0.833 411 D CB -0.414 40.366 40.800 -0.033 0.000 0.961 411 D HN 0.450 nan 8.370 nan 0.000 0.470 412 C N 0.592 119.946 119.300 0.089 0.000 2.413 412 C HA -0.095 4.365 4.460 0.001 0.000 0.276 412 C C 2.868 177.908 174.990 0.084 0.000 1.236 412 C CA 0.132 59.243 59.018 0.155 0.000 1.735 412 C CB -0.954 26.897 27.740 0.185 0.000 2.031 412 C HN 0.341 nan 8.230 nan 0.000 0.474 413 I N 0.644 121.227 120.570 0.021 0.000 2.226 413 I HA -0.183 3.987 4.170 0.001 0.000 0.245 413 I C 2.508 178.562 176.117 -0.105 0.000 1.100 413 I CA 1.418 62.701 61.300 -0.029 0.000 1.374 413 I CB -0.488 37.491 38.000 -0.035 0.000 1.057 413 I HN 0.259 nan 8.210 nan 0.000 0.413 414 S N -0.299 115.306 115.700 -0.159 0.000 2.400 414 S HA -0.211 4.259 4.470 0.001 0.000 0.232 414 S C 1.587 175.933 174.600 -0.423 0.000 1.025 414 S CA 1.457 59.475 58.200 -0.303 0.000 0.993 414 S CB -0.339 62.626 63.200 -0.393 0.000 0.808 414 S HN 0.475 nan 8.310 nan 0.000 0.478 415 W N 1.368 122.474 121.300 -0.324 0.000 2.453 415 W HA 0.198 4.858 4.660 0.001 0.000 0.289 415 W C 1.847 177.799 176.519 -0.945 0.000 1.215 415 W CA 0.010 56.991 57.345 -0.606 0.000 1.297 415 W CB -0.285 28.847 29.460 -0.547 0.000 1.113 415 W HN 0.194 nan 8.180 nan 0.000 0.551 416 L N 0.258 121.292 121.223 -0.316 0.000 2.131 416 L HA -0.206 4.135 4.340 0.001 0.000 0.210 416 L C 2.056 178.835 176.870 -0.151 0.000 1.092 416 L CA 1.323 56.053 54.840 -0.183 0.000 0.759 416 L CB -0.710 41.354 42.059 0.009 0.000 0.903 416 L HN 0.090 nan 8.230 nan 0.000 0.435 417 E N -0.386 119.704 120.200 -0.184 0.000 2.110 417 E HA -0.190 4.161 4.350 0.001 0.000 0.193 417 E C 2.272 178.775 176.600 -0.162 0.000 0.988 417 E CA 1.183 57.499 56.400 -0.141 0.000 0.804 417 E CB -0.000 29.608 29.700 -0.153 0.000 0.745 417 E HN 0.270 nan 8.360 nan 0.000 0.458 418 V N 0.813 120.564 119.914 -0.270 0.000 2.358 418 V HA -0.223 3.897 4.120 0.001 0.000 0.246 418 V C 1.912 177.877 176.094 -0.216 0.000 1.047 418 V CA 1.454 63.570 62.300 -0.307 0.000 1.035 418 V CB -0.464 31.223 31.823 -0.227 0.000 0.658 418 V HN 0.191 nan 8.190 nan 0.000 0.452 419 F N -0.072 119.822 119.950 -0.094 0.000 2.102 419 F HA -0.162 4.366 4.527 0.001 0.000 0.298 419 F C 2.637 178.398 175.800 -0.064 0.000 1.105 419 F CA 0.927 58.884 58.000 -0.072 0.000 1.239 419 F CB -1.877 37.132 39.000 0.016 0.000 0.991 419 F HN 0.180 nan 8.300 nan 0.000 0.474 420 C N 0.252 119.639 119.300 0.146 0.000 2.413 420 C HA -0.108 4.353 4.460 0.001 0.000 0.277 420 C C 3.140 178.178 174.990 0.081 0.000 1.265 420 C CA 0.875 59.953 59.018 0.100 0.000 1.752 420 C CB -1.614 26.164 27.740 0.063 0.000 1.998 420 C HN 0.512 nan 8.230 nan 0.000 0.489 421 A N 0.358 123.196 122.820 0.029 0.000 1.877 421 A HA -0.248 4.072 4.320 0.001 0.000 0.216 421 A C 2.150 179.809 177.584 0.126 0.000 1.186 421 A CA 2.014 54.099 52.037 0.079 0.000 0.620 421 A CB -0.679 18.363 19.000 0.070 0.000 0.822 421 A HN 0.723 nan 8.150 nan 0.000 0.443 422 E N -0.170 120.010 120.200 -0.033 0.000 2.047 422 E HA -0.149 4.201 4.350 0.001 0.000 0.191 422 E C 1.985 178.677 176.600 0.154 0.000 0.987 422 E CA 1.073 57.544 56.400 0.118 0.000 0.799 422 E CB -0.228 29.476 29.700 0.007 0.000 0.752 422 E HN 0.605 nan 8.360 nan 0.000 0.449 423 L N 0.508 121.801 121.223 0.117 0.000 2.012 423 L HA -0.190 4.150 4.340 0.001 0.000 0.210 423 L C 2.741 179.684 176.870 0.122 0.000 1.073 423 L CA 1.702 56.615 54.840 0.121 0.000 0.748 423 L CB -0.712 41.423 42.059 0.127 0.000 0.891 423 L HN 0.224 nan 8.230 nan 0.000 0.431 424 T N -1.176 113.456 114.554 0.129 0.000 2.665 424 T HA -0.261 4.090 4.350 0.001 0.000 0.268 424 T C 2.160 176.936 174.700 0.127 0.000 1.035 424 T CA 1.919 64.094 62.100 0.125 0.000 1.151 424 T CB -0.260 68.688 68.868 0.134 0.000 0.862 424 T HN 0.335 nan 8.240 nan 0.000 0.438 425 S N 0.488 116.291 115.700 0.171 0.000 2.368 425 S HA -0.101 4.370 4.470 0.001 0.000 0.225 425 S C 2.149 176.830 174.600 0.135 0.000 1.030 425 S CA 1.136 59.451 58.200 0.192 0.000 0.999 425 S CB -0.156 63.232 63.200 0.314 0.000 0.844 425 S HN 0.435 nan 8.310 nan 0.000 0.459 426 R N 0.062 120.633 120.500 0.119 0.000 2.148 426 R HA 0.196 4.537 4.340 0.001 0.000 0.223 426 R C 2.224 178.527 176.300 0.006 0.000 1.088 426 R CA 1.223 57.364 56.100 0.068 0.000 0.985 426 R CB -0.296 30.051 30.300 0.078 0.000 0.880 426 R HN 0.457 nan 8.270 nan 0.000 0.451 427 I N 0.825 121.401 120.570 0.009 0.000 2.252 427 I HA -0.298 3.873 4.170 0.001 0.000 0.245 427 I C 2.222 178.312 176.117 -0.045 0.000 1.102 427 I CA 1.437 62.704 61.300 -0.054 0.000 1.385 427 I CB -0.155 37.838 38.000 -0.012 0.000 1.064 427 I HN 0.230 nan 8.210 nan 0.000 0.414 428 Q N 0.126 119.932 119.800 0.010 0.000 2.096 428 Q HA -0.280 4.060 4.340 0.001 0.000 0.204 428 Q C 1.965 177.959 176.000 -0.009 0.000 0.982 428 Q CA 1.927 57.740 55.803 0.017 0.000 0.850 428 Q CB -0.246 28.525 28.738 0.055 0.000 0.901 428 Q HN 0.492 nan 8.270 nan 0.000 0.422 429 D N 0.511 120.907 120.400 -0.007 0.000 2.144 429 D HA -0.172 4.469 4.640 0.001 0.000 0.199 429 D C 1.830 178.061 176.300 -0.115 0.000 0.984 429 D CA 0.832 54.815 54.000 -0.027 0.000 0.834 429 D CB 0.079 40.878 40.800 -0.001 0.000 0.955 429 D HN 0.255 nan 8.370 nan 0.000 0.465 430 L N 0.467 121.583 121.223 -0.177 0.000 2.056 430 L HA -0.114 4.227 4.340 0.001 0.000 0.207 430 L C 2.529 179.191 176.870 -0.347 0.000 1.078 430 L CA 0.967 55.579 54.840 -0.379 0.000 0.749 430 L CB -0.231 41.604 42.059 -0.372 0.000 0.901 430 L HN 0.022 nan 8.230 nan 0.000 0.433 431 E N -0.489 119.625 120.200 -0.144 0.000 2.110 431 E HA -0.271 4.080 4.350 0.001 0.000 0.193 431 E C 2.134 178.720 176.600 -0.024 0.000 0.988 431 E CA 1.094 57.469 56.400 -0.041 0.000 0.804 431 E CB -0.023 29.675 29.700 -0.003 0.000 0.745 431 E HN 0.573 nan 8.360 nan 0.000 0.458 432 Q N 0.156 119.931 119.800 -0.042 0.000 2.245 432 Q HA -0.154 4.186 4.340 0.001 0.000 0.201 432 Q C 1.982 177.967 176.000 -0.024 0.000 0.955 432 Q CA 0.883 56.678 55.803 -0.013 0.000 0.870 432 Q CB 0.092 28.829 28.738 -0.002 0.000 0.945 432 Q HN 0.111 nan 8.270 nan 0.000 0.461 433 E N 0.340 120.475 120.200 -0.110 0.000 2.047 433 E HA -0.171 4.179 4.350 0.001 0.000 0.191 433 E C 1.057 177.660 176.600 0.006 0.000 0.987 433 E CA 1.466 57.789 56.400 -0.129 0.000 0.799 433 E CB -0.079 29.418 29.700 -0.338 0.000 0.752 433 E HN 0.336 nan 8.360 nan 0.000 0.449 434 Y N -0.015 120.291 120.300 0.010 0.000 2.510 434 Y HA 0.248 4.798 4.550 0.001 0.000 0.273 434 Y C 0.930 176.836 175.900 0.010 0.000 1.119 434 Y CA 0.486 58.591 58.100 0.008 0.000 1.286 434 Y CB -0.574 37.885 38.460 -0.001 0.000 1.061 434 Y HN 0.086 nan 8.280 nan 0.000 0.542 435 N N 0.545 119.332 118.700 0.145 0.000 2.758 435 N HA -0.232 4.509 4.740 0.001 0.000 0.248 435 N C -1.127 174.438 175.510 0.092 0.000 1.076 435 N CA 0.693 53.797 53.050 0.090 0.000 0.696 435 N CB -0.993 37.539 38.487 0.074 0.000 0.979 435 N HN 0.411 nan 8.380 nan 0.000 0.550 436 K N -0.402 120.067 120.400 0.115 0.000 2.536 436 K HA 0.483 4.804 4.320 0.001 0.000 0.269 436 K C -0.641 176.009 176.600 0.084 0.000 0.965 436 K CA -0.973 55.370 56.287 0.093 0.000 0.860 436 K CB 1.178 33.737 32.500 0.099 0.000 1.423 436 K HN -0.017 nan 8.250 nan 0.000 0.438 437 I N 1.601 122.205 120.570 0.058 0.000 2.529 437 I HA 0.103 4.273 4.170 0.001 0.000 0.284 437 I C -0.450 175.695 176.117 0.046 0.000 1.082 437 I CA -0.161 61.167 61.300 0.047 0.000 1.406 437 I CB 1.111 39.134 38.000 0.038 0.000 1.405 437 I HN 0.172 nan 8.210 nan 0.000 0.548 438 V N 7.734 127.668 119.914 0.034 0.000 2.378 438 V HA 0.453 4.574 4.120 0.001 0.000 0.288 438 V C -0.081 176.032 176.094 0.031 0.000 1.016 438 V CA -0.488 61.819 62.300 0.012 0.000 0.840 438 V CB 1.247 33.021 31.823 -0.082 0.000 0.994 438 V HN 0.430 nan 8.190 nan 0.000 0.431 439 I N 7.112 127.729 120.570 0.077 0.000 2.382 439 I HA 0.388 4.559 4.170 0.001 0.000 0.285 439 I C -2.618 173.642 176.117 0.238 0.000 1.007 439 I CA -2.053 59.311 61.300 0.107 0.000 1.142 439 I CB 2.484 40.455 38.000 -0.047 0.000 1.289 439 I HN 0.389 nan 8.210 nan 0.000 0.453 440 P HA 0.266 nan 4.420 nan 0.000 0.276 440 P C -0.071 177.336 177.300 0.178 0.000 1.235 440 P CA -0.327 63.005 63.100 0.387 0.000 0.772 440 P CB 1.035 32.982 31.700 0.412 0.000 0.871 441 R N 0.355 120.911 120.500 0.093 0.000 2.279 441 R HA 0.238 4.579 4.340 0.001 0.000 0.195 441 R C 0.168 176.499 176.300 0.052 0.000 0.905 441 R CA 0.843 56.982 56.100 0.066 0.000 1.044 441 R CB 0.132 30.455 30.300 0.039 0.000 1.056 441 R HN 0.400 nan 8.270 nan 0.000 0.535 442 T N -0.304 114.260 114.554 0.018 0.000 2.848 442 T HA 0.510 4.861 4.350 0.001 0.000 0.285 442 T C -1.498 173.228 174.700 0.042 0.000 0.995 442 T CA -0.502 61.618 62.100 0.033 0.000 0.970 442 T CB 2.359 71.229 68.868 0.004 0.000 0.976 442 T HN -0.173 nan 8.240 nan 0.000 0.441 443 V N 2.547 122.519 119.914 0.097 0.000 2.769 443 V HA 0.872 4.992 4.120 0.001 0.000 0.312 443 V C -0.774 175.457 176.094 0.228 0.000 1.061 443 V CA -0.405 61.962 62.300 0.111 0.000 0.931 443 V CB 2.194 34.043 31.823 0.043 0.000 1.010 443 V HN 0.867 nan 8.190 nan 0.000 0.433 444 S N 6.752 122.565 115.700 0.188 0.000 2.647 444 S HA 0.650 5.120 4.470 0.001 0.000 0.300 444 S C -1.203 173.519 174.600 0.204 0.000 1.129 444 S CA -0.696 57.632 58.200 0.213 0.000 1.029 444 S CB 0.962 64.226 63.200 0.105 0.000 1.007 444 S HN 0.581 nan 8.310 nan 0.000 0.484 445 I N 3.950 124.689 120.570 0.283 0.000 2.336 445 I HA 0.474 4.645 4.170 0.001 0.000 0.292 445 I C 0.390 176.600 176.117 0.154 0.000 0.991 445 I CA -0.205 61.236 61.300 0.235 0.000 1.227 445 I CB 1.211 39.407 38.000 0.327 0.000 1.366 445 I HN 0.664 nan 8.210 nan 0.000 0.466 446 S N 7.934 123.702 115.700 0.113 0.000 2.542 446 S HA 0.912 5.383 4.470 0.001 0.000 0.293 446 S C -0.946 173.700 174.600 0.076 0.000 1.089 446 S CA -0.590 57.660 58.200 0.084 0.000 0.961 446 S CB 1.539 64.767 63.200 0.047 0.000 1.062 446 S HN 0.545 nan 8.310 nan 0.000 0.483 447 L N 0.577 121.846 121.223 0.075 0.000 2.671 447 L HA 0.710 5.051 4.340 0.001 0.000 0.259 447 L C -1.915 174.976 176.870 0.034 0.000 1.021 447 L CA -0.906 53.954 54.840 0.034 0.000 0.871 447 L CB 1.576 43.629 42.059 -0.009 0.000 1.472 447 L HN 0.680 nan 8.230 nan 0.000 0.410 448 K N 1.533 121.929 120.400 -0.007 0.000 2.376 448 K HA 0.510 4.830 4.320 0.001 0.000 0.257 448 K C 0.006 176.544 176.600 -0.103 0.000 0.939 448 K CA -0.465 55.830 56.287 0.013 0.000 0.809 448 K CB 2.483 35.034 32.500 0.085 0.000 1.121 448 K HN 0.893 nan 8.250 nan 0.000 0.425 449 T N -1.416 113.058 114.554 -0.134 0.000 2.689 449 T HA 0.052 4.403 4.350 0.001 0.000 0.308 449 T C 1.344 175.873 174.700 -0.286 0.000 1.021 449 T CA -0.317 61.617 62.100 -0.277 0.000 0.973 449 T CB 0.732 69.482 68.868 -0.197 0.000 1.113 449 T HN 0.666 nan 8.240 nan 0.000 0.522 450 K N 0.062 120.300 120.400 -0.271 0.000 2.211 450 K HA -0.121 4.200 4.320 0.001 0.000 0.204 450 K C 1.711 178.004 176.600 -0.511 0.000 1.047 450 K CA 1.610 57.717 56.287 -0.301 0.000 0.935 450 K CB -0.449 31.959 32.500 -0.153 0.000 0.728 450 K HN 0.697 nan 8.250 nan 0.000 0.452 451 S N -1.051 114.416 115.700 -0.389 0.000 2.574 451 S HA 0.081 4.551 4.470 0.001 0.000 0.242 451 S C -0.384 174.071 174.600 -0.242 0.000 0.982 451 S CA -0.576 57.412 58.200 -0.353 0.000 0.977 451 S CB -0.360 62.783 63.200 -0.096 0.000 0.814 451 S HN 0.404 nan 8.310 nan 0.000 0.464 452 Y N 0.067 120.367 120.300 0.000 0.000 4.604 452 Y HA -0.230 4.320 4.550 0.001 0.000 0.230 452 Y C 0.113 176.022 175.900 0.014 0.000 1.066 452 Y CA 0.247 58.346 58.100 -0.001 0.000 1.990 452 Y CB -2.859 35.598 38.460 -0.005 0.000 1.619 452 Y HN 0.520 nan 8.280 nan 0.000 0.649 453 E N 0.164 120.430 120.200 0.109 0.000 2.354 453 E HA 0.424 4.774 4.350 0.001 0.000 0.269 453 E C -0.096 176.584 176.600 0.133 0.000 1.036 453 E CA -0.490 55.974 56.400 0.106 0.000 0.876 453 E CB 1.968 31.740 29.700 0.120 0.000 1.009 453 E HN 0.127 nan 8.360 nan 0.000 0.416 454 V N 4.531 124.479 119.914 0.057 0.000 2.465 454 V HA 0.259 4.380 4.120 0.001 0.000 0.279 454 V C -1.424 174.672 176.094 0.003 0.000 1.045 454 V CA -0.220 62.118 62.300 0.063 0.000 0.938 454 V CB 0.139 31.972 31.823 0.017 0.000 0.986 454 V HN 0.551 nan 8.190 nan 0.000 0.467 455 Y N 6.226 126.520 120.300 -0.010 0.000 2.409 455 Y HA 0.727 5.277 4.550 0.001 0.000 0.343 455 Y C 0.248 176.150 175.900 0.004 0.000 0.973 455 Y CA -0.607 57.498 58.100 0.008 0.000 1.064 455 Y CB 1.883 40.367 38.460 0.040 0.000 1.207 455 Y HN 0.626 nan 8.280 nan 0.000 0.452 456 R N 2.884 123.447 120.500 0.106 0.000 2.668 456 R HA 0.612 4.952 4.340 0.001 0.000 0.272 456 R C -2.063 174.230 176.300 -0.013 0.000 1.019 456 R CA -0.981 55.151 56.100 0.053 0.000 0.894 456 R CB 1.927 32.236 30.300 0.015 0.000 1.228 456 R HN 0.722 nan 8.270 nan 0.000 0.460 457 K N 1.519 121.883 120.400 -0.060 0.000 2.535 457 K HA 0.395 4.716 4.320 0.001 0.000 0.251 457 K C -1.977 174.424 176.600 -0.331 0.000 0.942 457 K CA -0.444 55.664 56.287 -0.298 0.000 0.798 457 K CB 2.350 34.565 32.500 -0.476 0.000 1.267 457 K HN 0.472 nan 8.250 nan 0.000 0.434 458 S N 1.792 117.278 115.700 -0.356 0.000 2.570 458 S HA 0.962 5.433 4.470 0.001 0.000 0.286 458 S C -1.149 173.470 174.600 0.033 0.000 1.099 458 S CA -0.035 58.153 58.200 -0.019 0.000 0.913 458 S CB 1.655 64.870 63.200 0.025 0.000 1.085 458 S HN 0.926 nan 8.310 nan 0.000 0.480 459 G N 2.377 111.424 108.800 0.412 0.000 2.451 459 G HA2 0.513 4.474 3.960 0.001 0.000 0.292 459 G HA3 0.513 4.474 3.960 0.001 0.000 0.292 459 G C -3.479 171.589 174.900 0.281 0.000 1.427 459 G CA -0.779 44.559 45.100 0.397 0.000 0.792 459 G HN 0.546 nan 8.290 nan 0.000 0.498 460 P HA 0.419 nan 4.420 nan 0.000 0.272 460 P C -0.487 176.863 177.300 0.083 0.000 1.230 460 P CA -0.184 62.984 63.100 0.114 0.000 0.788 460 P CB 1.681 33.439 31.700 0.096 0.000 0.949 461 V N 1.677 121.635 119.914 0.074 0.000 2.417 461 V HA 0.451 4.572 4.120 0.001 0.000 0.291 461 V C 0.652 176.810 176.094 0.107 0.000 1.024 461 V CA -0.902 61.437 62.300 0.065 0.000 0.861 461 V CB 1.079 32.950 31.823 0.079 0.000 0.985 461 V HN 0.739 nan 8.190 nan 0.000 0.436 462 A N 4.464 127.344 122.820 0.099 0.000 2.450 462 A HA 0.474 4.794 4.320 0.001 0.000 0.255 462 A C -0.822 176.878 177.584 0.193 0.000 1.096 462 A CA -0.018 52.097 52.037 0.129 0.000 0.778 462 A CB -0.077 18.977 19.000 0.090 0.000 1.031 462 A HN 0.842 nan 8.150 nan 0.000 0.494 463 Y N 1.995 122.343 120.300 0.080 0.000 2.353 463 Y HA 0.496 5.046 4.550 0.001 0.000 0.340 463 Y C 0.527 176.486 175.900 0.098 0.000 0.972 463 Y CA 0.091 58.246 58.100 0.092 0.000 1.157 463 Y CB 0.789 39.296 38.460 0.078 0.000 1.157 463 Y HN 0.660 nan 8.280 nan 0.000 0.495 464 K N 3.626 123.815 120.400 -0.351 0.000 2.972 464 K HA 0.656 4.976 4.320 0.001 0.000 0.209 464 K C -0.009 176.392 176.600 -0.332 0.000 1.128 464 K CA -0.045 56.089 56.287 -0.255 0.000 1.024 464 K CB 0.025 32.529 32.500 0.007 0.000 0.754 464 K HN 1.558 nan 8.250 nan 0.000 0.454 465 G N -0.142 108.132 108.800 -0.878 0.000 2.592 465 G HA2 -0.004 3.957 3.960 0.001 0.000 0.685 465 G HA3 -0.004 3.957 3.960 0.001 0.000 0.685 465 G C 0.481 175.199 174.900 -0.303 0.000 1.278 465 G CA -0.369 44.397 45.100 -0.557 0.000 0.822 465 G HN 0.306 nan 8.290 nan 0.000 0.652 466 I N 0.615 121.146 120.570 -0.066 0.000 2.315 466 I HA -0.133 4.038 4.170 0.001 0.000 0.248 466 I C 2.179 178.321 176.117 0.041 0.000 1.117 466 I CA 1.032 62.400 61.300 0.114 0.000 1.404 466 I CB -0.168 37.902 38.000 0.116 0.000 1.071 466 I HN 0.519 nan 8.210 nan 0.000 0.419 467 N N 0.459 119.097 118.700 -0.103 0.000 2.521 467 N HA -0.016 4.725 4.740 0.001 0.000 0.188 467 N C 1.164 176.746 175.510 0.119 0.000 1.146 467 N CA 1.000 54.002 53.050 -0.079 0.000 0.893 467 N CB 0.110 38.454 38.487 -0.237 0.000 0.975 467 N HN 0.424 nan 8.380 nan 0.000 0.451 468 F N 0.493 120.440 119.950 -0.005 0.000 2.661 468 F HA 0.215 4.743 4.527 0.001 0.000 0.306 468 F C 1.892 177.734 175.800 0.070 0.000 1.094 468 F CA -0.489 57.512 58.000 0.002 0.000 1.254 468 F CB 0.583 39.538 39.000 -0.076 0.000 1.040 468 F HN -0.070 nan 8.300 nan 0.000 0.562 469 Q N 0.160 120.118 119.800 0.263 0.000 2.061 469 Q HA -0.216 4.124 4.340 0.001 0.000 0.204 469 Q C 2.387 178.505 176.000 0.197 0.000 0.984 469 Q CA 1.954 57.896 55.803 0.231 0.000 0.846 469 Q CB -0.294 28.577 28.738 0.223 0.000 0.902 469 Q HN 0.250 nan 8.270 nan 0.000 0.421 470 S N 0.093 115.905 115.700 0.188 0.000 2.359 470 S HA -0.252 4.219 4.470 0.001 0.000 0.224 470 S C 1.983 176.660 174.600 0.129 0.000 1.035 470 S CA 1.415 59.705 58.200 0.149 0.000 1.018 470 S CB -0.362 62.925 63.200 0.145 0.000 0.876 470 S HN 0.507 nan 8.310 nan 0.000 0.448 471 H N 0.559 119.665 119.070 0.060 0.000 2.353 471 H HA -0.004 4.553 4.556 0.001 0.000 0.300 471 H C 2.066 177.384 175.328 -0.016 0.000 1.090 471 H CA 1.801 57.845 56.048 -0.007 0.000 1.327 471 H CB -0.253 29.457 29.762 -0.086 0.000 1.383 471 H HN 0.409 nan 8.280 nan 0.000 0.508 472 E N 0.849 121.141 120.200 0.153 0.000 2.152 472 E HA -0.098 4.253 4.350 0.001 0.000 0.192 472 E C 2.580 179.179 176.600 -0.002 0.000 0.983 472 E CA 0.104 56.554 56.400 0.085 0.000 0.818 472 E CB -0.132 29.656 29.700 0.147 0.000 0.758 472 E HN 0.475 nan 8.360 nan 0.000 0.467 473 L N 0.465 121.703 121.223 0.026 0.000 2.027 473 L HA -0.168 4.172 4.340 0.001 0.000 0.206 473 L C 2.458 179.294 176.870 -0.057 0.000 1.074 473 L CA 0.879 55.724 54.840 0.008 0.000 0.745 473 L CB -0.207 41.890 42.059 0.064 0.000 0.898 473 L HN 0.170 nan 8.230 nan 0.000 0.433 474 L N 0.587 121.766 121.223 -0.074 0.000 2.046 474 L HA -0.256 4.084 4.340 0.001 0.000 0.208 474 L C 2.578 179.350 176.870 -0.165 0.000 1.077 474 L CA 1.947 56.724 54.840 -0.106 0.000 0.747 474 L CB -0.710 41.275 42.059 -0.122 0.000 0.896 474 L HN 0.190 nan 8.230 nan 0.000 0.432 475 K N -1.002 119.256 120.400 -0.237 0.000 2.044 475 K HA -0.193 4.127 4.320 0.001 0.000 0.210 475 K C 1.855 178.343 176.600 -0.187 0.000 1.049 475 K CA 2.287 58.440 56.287 -0.224 0.000 0.927 475 K CB -0.223 32.140 32.500 -0.230 0.000 0.713 475 K HN 0.306 nan 8.250 nan 0.000 0.443 476 V N 0.606 120.380 119.914 -0.233 0.000 2.358 476 V HA -0.156 3.964 4.120 0.001 0.000 0.246 476 V C 2.449 178.217 176.094 -0.543 0.000 1.047 476 V CA 2.070 64.115 62.300 -0.426 0.000 1.035 476 V CB -0.925 30.600 31.823 -0.497 0.000 0.658 476 V HN 0.644 nan 8.190 nan 0.000 0.452 477 G N -0.062 108.548 108.800 -0.317 0.000 2.440 477 G HA2 -0.244 3.716 3.960 0.001 0.000 0.218 477 G HA3 -0.244 3.716 3.960 0.001 0.000 0.218 477 G C 1.584 176.461 174.900 -0.038 0.000 1.154 477 G CA 1.104 46.116 45.100 -0.146 0.000 0.767 477 G HN 0.485 nan 8.290 nan 0.000 0.552 478 I N 0.325 120.859 120.570 -0.061 0.000 2.226 478 I HA -0.141 4.029 4.170 0.001 0.000 0.245 478 I C 2.716 178.854 176.117 0.035 0.000 1.100 478 I CA 1.450 62.745 61.300 -0.009 0.000 1.374 478 I CB -0.197 37.776 38.000 -0.046 0.000 1.057 478 I HN 0.188 nan 8.210 nan 0.000 0.413 479 K N 1.337 121.739 120.400 0.002 0.000 2.026 479 K HA -0.178 4.142 4.320 0.001 0.000 0.208 479 K C 2.231 179.000 176.600 0.281 0.000 1.048 479 K CA 1.661 58.006 56.287 0.097 0.000 0.929 479 K CB -0.217 32.321 32.500 0.064 0.000 0.713 479 K HN 0.215 nan 8.250 nan 0.000 0.439 480 F N 0.014 119.995 119.950 0.051 0.000 2.102 480 F HA -0.200 4.327 4.527 0.001 0.000 0.298 480 F C 2.455 178.303 175.800 0.081 0.000 1.105 480 F CA 0.317 58.356 58.000 0.065 0.000 1.239 480 F CB -0.139 38.903 39.000 0.070 0.000 0.991 480 F HN -0.067 nan 8.300 nan 0.000 0.474 481 V N -0.195 119.893 119.914 0.291 0.000 2.626 481 V HA -0.227 3.894 4.120 0.001 0.000 0.252 481 V C 2.078 178.280 176.094 0.180 0.000 1.067 481 V CA 2.178 64.610 62.300 0.219 0.000 1.081 481 V CB -0.397 31.539 31.823 0.189 0.000 0.686 481 V HN 0.360 nan 8.190 nan 0.000 0.468 482 T N -0.361 114.285 114.554 0.153 0.000 2.857 482 T HA -0.129 4.221 4.350 0.001 0.000 0.266 482 T C 1.539 176.294 174.700 0.090 0.000 1.048 482 T CA 1.520 63.685 62.100 0.109 0.000 1.139 482 T CB -0.269 68.650 68.868 0.084 0.000 0.874 482 T HN 0.514 nan 8.240 nan 0.000 0.455 483 D N 1.205 121.675 120.400 0.117 0.000 2.117 483 D HA 0.037 4.677 4.640 0.001 0.000 0.198 483 D C 2.114 178.448 176.300 0.057 0.000 0.982 483 D CA 0.682 54.730 54.000 0.079 0.000 0.828 483 D CB -0.319 40.533 40.800 0.087 0.000 0.967 483 D HN 0.315 nan 8.370 nan 0.000 0.464 484 L N 0.503 121.786 121.223 0.098 0.000 2.141 484 L HA -0.152 4.188 4.340 0.001 0.000 0.209 484 L C 2.094 178.939 176.870 -0.042 0.000 1.094 484 L CA 1.035 55.942 54.840 0.112 0.000 0.763 484 L CB -0.304 41.871 42.059 0.194 0.000 0.908 484 L HN -0.026 nan 8.230 nan 0.000 0.437 485 D N 0.620 121.000 120.400 -0.034 0.000 2.117 485 D HA -0.195 4.445 4.640 0.001 0.000 0.197 485 D C 2.185 178.265 176.300 -0.366 0.000 0.987 485 D CA 1.210 55.052 54.000 -0.264 0.000 0.829 485 D CB 0.060 40.875 40.800 0.025 0.000 0.961 485 D HN 0.250 nan 8.370 nan 0.000 0.460 486 I N -0.269 120.205 120.570 -0.160 0.000 2.315 486 I HA -0.179 3.992 4.170 0.001 0.000 0.248 486 I C 2.170 178.200 176.117 -0.145 0.000 1.117 486 I CA 0.788 62.013 61.300 -0.125 0.000 1.404 486 I CB -0.177 37.795 38.000 -0.046 0.000 1.071 486 I HN -0.018 nan 8.210 nan 0.000 0.419 487 K N 1.496 121.828 120.400 -0.114 0.000 2.283 487 K HA -0.057 4.264 4.320 0.001 0.000 0.202 487 K C 1.606 178.157 176.600 -0.081 0.000 1.048 487 K CA 1.162 57.431 56.287 -0.031 0.000 0.948 487 K CB -0.413 32.152 32.500 0.108 0.000 0.742 487 K HN 0.284 nan 8.250 nan 0.000 0.458 488 G N 0.098 108.643 108.800 -0.425 0.000 3.189 488 G HA2 0.001 3.962 3.960 0.001 0.000 0.225 488 G HA3 0.001 3.962 3.960 0.001 0.000 0.225 488 G C -0.292 174.319 174.900 -0.482 0.000 1.159 488 G CA -0.408 44.328 45.100 -0.607 0.000 0.763 488 G HN 0.001 nan 8.290 nan 0.000 0.549 489 K N 1.475 121.673 120.400 -0.336 0.000 2.484 489 K HA -0.016 4.305 4.320 0.001 0.000 0.280 489 K C 0.703 177.232 176.600 -0.119 0.000 1.013 489 K CA -0.021 56.140 56.287 -0.209 0.000 1.029 489 K CB 0.466 32.885 32.500 -0.135 0.000 0.902 489 K HN 0.200 nan 8.250 nan 0.000 0.481 490 N N 1.343 119.992 118.700 -0.085 0.000 2.725 490 N HA -0.214 4.526 4.740 0.001 0.000 0.249 490 N C -1.227 174.269 175.510 -0.024 0.000 1.103 490 N CA 1.267 54.293 53.050 -0.040 0.000 0.707 490 N CB -0.436 38.034 38.487 -0.028 0.000 1.043 490 N HN 0.601 nan 8.380 nan 0.000 0.553 491 K N -0.955 119.427 120.400 -0.030 0.000 2.466 491 K HA 0.403 4.723 4.320 0.001 0.000 0.260 491 K C -0.530 176.096 176.600 0.043 0.000 1.011 491 K CA -0.739 55.561 56.287 0.022 0.000 0.871 491 K CB 1.644 34.183 32.500 0.065 0.000 1.404 491 K HN 0.043 nan 8.250 nan 0.000 0.450 492 S N 0.766 116.509 115.700 0.072 0.000 2.546 492 S HA 0.005 4.475 4.470 0.001 0.000 0.290 492 S C -0.508 174.150 174.600 0.097 0.000 1.262 492 S CA 0.521 58.756 58.200 0.059 0.000 1.083 492 S CB -0.012 63.212 63.200 0.040 0.000 0.859 492 S HN 0.612 nan 8.310 nan 0.000 0.495 493 Y N 4.203 124.394 120.300 -0.181 0.000 3.326 493 Y HA 0.379 4.930 4.550 0.001 0.000 0.172 493 Y C -1.013 174.724 175.900 -0.272 0.000 0.896 493 Y CA -0.117 57.771 58.100 -0.354 0.000 1.808 493 Y CB 0.236 38.347 38.460 -0.581 0.000 1.427 493 Y HN 0.660 nan 8.280 nan 0.000 0.334 494 Y N 3.087 123.418 120.300 0.051 0.000 2.377 494 Y HA 0.507 5.058 4.550 0.001 0.000 0.339 494 Y C -2.329 173.557 175.900 -0.023 0.000 1.011 494 Y CA -3.525 54.579 58.100 0.007 0.000 1.093 494 Y CB 0.770 39.275 38.460 0.074 0.000 1.201 494 Y HN -0.028 nan 8.280 nan 0.000 0.455 495 P HA 0.258 nan 4.420 nan 0.000 0.282 495 P C -0.692 176.637 177.300 0.048 0.000 1.249 495 P CA -0.309 62.877 63.100 0.143 0.000 0.806 495 P CB 1.405 33.135 31.700 0.051 0.000 0.984 496 L N 2.090 123.357 121.223 0.073 0.000 2.452 496 L HA 0.149 4.489 4.340 0.001 0.000 0.267 496 L C 1.872 178.702 176.870 -0.066 0.000 1.188 496 L CA 0.090 54.890 54.840 -0.067 0.000 0.821 496 L CB 0.258 42.282 42.059 -0.059 0.000 1.102 496 L HN 0.512 nan 8.230 nan 0.000 0.470 497 T N -2.020 112.486 114.554 -0.081 0.000 3.022 497 T HA 0.166 4.516 4.350 0.001 0.000 0.250 497 T C 0.325 175.017 174.700 -0.013 0.000 1.060 497 T CA -0.115 61.972 62.100 -0.021 0.000 1.013 497 T CB 0.354 69.258 68.868 0.059 0.000 0.982 497 T HN 0.537 nan 8.240 nan 0.000 0.508 498 K N -0.052 120.326 120.400 -0.037 0.000 2.578 498 K HA 0.643 4.963 4.320 0.001 0.000 0.269 498 K C -2.457 174.122 176.600 -0.035 0.000 0.941 498 K CA -0.923 55.339 56.287 -0.041 0.000 0.847 498 K CB 2.248 34.746 32.500 -0.004 0.000 1.397 498 K HN 0.148 nan 8.250 nan 0.000 0.422 499 L N 2.526 123.737 121.223 -0.021 0.000 2.513 499 L HA 0.595 4.936 4.340 0.001 0.000 0.261 499 L C -1.583 175.315 176.870 0.047 0.000 0.945 499 L CA -0.330 54.554 54.840 0.073 0.000 0.848 499 L CB 2.289 44.440 42.059 0.153 0.000 1.334 499 L HN 0.968 nan 8.230 nan 0.000 0.407 500 S N 3.906 119.620 115.700 0.024 0.000 2.570 500 S HA 0.672 5.142 4.470 0.001 0.000 0.270 500 S C -1.127 173.438 174.600 -0.058 0.000 1.149 500 S CA -0.824 57.256 58.200 -0.200 0.000 0.837 500 S CB 2.265 65.357 63.200 -0.179 0.000 1.124 500 S HN 0.698 nan 8.310 nan 0.000 0.465 501 M N 2.302 121.804 119.600 -0.162 0.000 2.197 501 M HA 0.528 5.008 4.480 0.001 0.000 0.301 501 M C -1.651 174.642 176.300 -0.012 0.000 0.987 501 M CA 0.006 55.318 55.300 0.021 0.000 0.921 501 M CB 1.825 34.511 32.600 0.144 0.000 1.569 501 M HN 0.864 nan 8.290 nan 0.000 0.431 502 T N 6.262 120.837 114.554 0.036 0.000 2.841 502 T HA 0.674 5.025 4.350 0.001 0.000 0.283 502 T C -0.550 174.182 174.700 0.053 0.000 1.000 502 T CA -0.604 61.517 62.100 0.034 0.000 0.977 502 T CB 1.180 70.059 68.868 0.019 0.000 0.979 502 T HN 0.683 nan 8.240 nan 0.000 0.446 503 I N 0.678 121.287 120.570 0.065 0.000 2.530 503 I HA 0.885 5.056 4.170 0.001 0.000 0.297 503 I C 0.065 176.067 176.117 -0.192 0.000 1.011 503 I CA -0.797 60.524 61.300 0.036 0.000 1.107 503 I CB 2.256 40.377 38.000 0.202 0.000 1.285 503 I HN 0.705 nan 8.210 nan 0.000 0.436 504 T N -0.018 114.312 114.554 -0.373 0.000 2.647 504 T HA 0.423 4.773 4.350 0.001 0.000 0.295 504 T C -0.223 174.096 174.700 -0.635 0.000 1.126 504 T CA -0.935 60.773 62.100 -0.654 0.000 1.040 504 T CB 0.927 69.620 68.868 -0.293 0.000 1.472 504 T HN 0.701 nan 8.240 nan 0.000 0.500 505 N N 0.574 118.997 118.700 -0.462 0.000 2.667 505 N HA -0.130 4.610 4.740 0.001 0.000 0.263 505 N C -1.219 174.201 175.510 -0.149 0.000 1.038 505 N CA 0.402 53.319 53.050 -0.222 0.000 0.749 505 N CB -1.406 37.019 38.487 -0.104 0.000 0.892 505 N HN 0.526 nan 8.380 nan 0.000 0.546 506 F N 0.583 120.557 119.950 0.040 0.000 2.443 506 F HA 0.190 4.717 4.527 0.001 0.000 0.353 506 F C 1.313 177.124 175.800 0.019 0.000 1.101 506 F CA -0.840 57.184 58.000 0.041 0.000 1.226 506 F CB 0.562 39.602 39.000 0.067 0.000 1.140 506 F HN -0.016 nan 8.300 nan 0.000 0.557 507 D N 4.050 124.575 120.400 0.208 0.000 2.443 507 D HA 0.303 4.943 4.640 0.001 0.000 0.221 507 D C -0.491 175.853 176.300 0.073 0.000 1.097 507 D CA -0.223 53.828 54.000 0.086 0.000 0.865 507 D CB 0.260 41.066 40.800 0.010 0.000 1.034 507 D HN 0.335 nan 8.370 nan 0.000 0.511 508 I N 5.553 126.163 120.570 0.066 0.000 2.291 508 I HA 0.269 4.439 4.170 0.001 0.000 0.292 508 I C 0.489 176.613 176.117 0.013 0.000 1.064 508 I CA -0.337 60.988 61.300 0.041 0.000 1.269 508 I CB 0.496 38.504 38.000 0.014 0.000 1.418 508 I HN 0.196 nan 8.210 nan 0.000 0.485 509 I N 0.000 120.576 120.570 0.010 0.000 2.984 509 I HA 0.000 4.171 4.170 0.001 0.000 0.288 509 I CA 0.000 61.301 61.300 0.001 0.000 1.566 509 I CB 0.000 37.991 38.000 -0.015 0.000 1.214 509 I HN 0.000 nan 8.210 nan 0.000 0.494