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 1k0g_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKTLSPAVIT LLWRQDAAEF YFSRLSHLPW AMLLHSGYAD HPYSRFDIVV DATA SEQUENCE AEPICTLTTF GKETVVSESE KRTTTTDDPL QVLQQVLDRA DIRPTHNEDL DATA SEQUENCE PFQGGALGLF GYDLGRRFES LPEIAEQDIV LPDMAVGIYD WALIVDHQRH DATA SEQUENCE TVSLLSHNDV NARRAWLESQ QFSPQEDFTL TSDWQSNMTR EQYGEKFRQV DATA SEQUENCE QEYLHSGDCY QVNLAQRFHA TYSGDEWQAF LQLNQANRAP FSAFLRLEQG DATA SEQUENCE AILSLSPERF ILCDNSEIQT RPIKXXXXXX XXXXXXXXXX XXXXXXXXDR DATA SEQUENCE AENLMIVDLM RNDIGRVAVA GSVKVPELFV XXXXXXXXXL VSTITAQLPE DATA SEQUENCE QLHASDLLRA AFPGGSITGA PKVRAMEIID ELEPQRRNAW CGSIGYLSFC DATA SEQUENCE GNMDTSITIR TLTAINGQIF CSAGGGIVAD SQEEAEYQET FDKVNRILKQ DATA SEQUENCE LEK 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 0.000 176.259 176.300 -0.068 0.000 1.140 1 M CA 0.000 55.264 55.300 -0.061 0.000 0.988 1 M CB 0.000 32.571 32.600 -0.049 0.000 1.302 2 K N 2.344 122.685 120.400 -0.098 0.000 2.273 2 K HA 0.439 4.913 4.320 0.255 0.000 0.287 2 K C 0.723 177.266 176.600 -0.095 0.000 1.089 2 K CA 0.175 56.405 56.287 -0.096 0.000 0.909 2 K CB 0.401 32.826 32.500 -0.125 0.000 1.123 2 K HN 0.774 nan 8.250 nan 0.000 0.473 3 T N -0.215 114.304 114.554 -0.057 0.000 3.069 3 T HA 0.132 4.636 4.350 0.255 0.000 0.252 3 T C 0.881 175.570 174.700 -0.018 0.000 1.053 3 T CA -0.405 61.668 62.100 -0.045 0.000 0.964 3 T CB 0.065 68.911 68.868 -0.038 0.000 1.005 3 T HN 0.346 nan 8.240 nan 0.000 0.532 4 L N 3.838 125.055 121.223 -0.009 0.000 2.593 4 L HA 0.067 4.561 4.340 0.255 0.000 0.287 4 L C 1.075 177.970 176.870 0.042 0.000 1.243 4 L CA -0.185 54.663 54.840 0.013 0.000 0.890 4 L CB 0.261 42.331 42.059 0.018 0.000 1.134 4 L HN 0.519 nan 8.230 nan 0.000 0.502 5 S N 5.153 120.867 115.700 0.022 0.000 2.600 5 S HA 0.390 5.014 4.470 0.255 0.000 0.265 5 S C -2.225 172.360 174.600 -0.025 0.000 1.325 5 S CA -1.252 56.960 58.200 0.020 0.000 1.002 5 S CB 0.747 63.947 63.200 -0.000 0.000 0.921 5 S HN 0.475 nan 8.310 nan 0.000 0.554 6 P HA 0.332 nan 4.420 nan 0.000 0.274 6 P C -0.653 176.541 177.300 -0.178 0.000 1.231 6 P CA -0.425 62.453 63.100 -0.371 0.000 0.790 6 P CB 0.547 31.885 31.700 -0.603 0.000 0.951 7 A N 2.052 124.794 122.820 -0.130 0.000 2.371 7 A HA 0.469 4.942 4.320 0.255 0.000 0.257 7 A C -0.176 177.380 177.584 -0.046 0.000 1.089 7 A CA -0.243 51.758 52.037 -0.060 0.000 0.794 7 A CB 0.097 19.074 19.000 -0.038 0.000 1.029 7 A HN 0.379 nan 8.150 nan 0.000 0.488 8 V N 3.039 122.942 119.914 -0.018 0.000 2.709 8 V HA 0.463 4.737 4.120 0.255 0.000 0.308 8 V C -0.385 175.720 176.094 0.018 0.000 1.062 8 V CA -0.275 62.026 62.300 0.002 0.000 0.901 8 V CB 1.770 33.597 31.823 0.008 0.000 1.003 8 V HN 0.791 nan 8.190 nan 0.000 0.425 9 I N 3.167 123.756 120.570 0.031 0.000 2.509 9 I HA 0.533 4.857 4.170 0.255 0.000 0.293 9 I C 0.232 176.381 176.117 0.054 0.000 1.020 9 I CA -0.315 61.007 61.300 0.038 0.000 1.088 9 I CB 2.672 40.693 38.000 0.034 0.000 1.267 9 I HN 0.781 nan 8.210 nan 0.000 0.430 10 T N 4.642 119.235 114.554 0.065 0.000 2.929 10 T HA 0.742 5.245 4.350 0.255 0.000 0.284 10 T C -0.428 174.334 174.700 0.103 0.000 1.014 10 T CA -0.770 61.383 62.100 0.089 0.000 1.051 10 T CB 1.587 70.511 68.868 0.093 0.000 1.028 10 T HN 0.311 nan 8.240 nan 0.000 0.485 11 L N 1.767 123.071 121.223 0.135 0.000 2.319 11 L HA 0.502 4.996 4.340 0.255 0.000 0.267 11 L C -0.060 176.931 176.870 0.203 0.000 1.011 11 L CA -1.739 53.201 54.840 0.166 0.000 0.818 11 L CB 1.491 43.657 42.059 0.179 0.000 1.316 11 L HN 0.458 nan 8.230 nan 0.000 0.432 12 L N -0.058 121.281 121.223 0.193 0.000 2.483 12 L HA 0.022 4.515 4.340 0.255 0.000 0.276 12 L C 0.050 177.056 176.870 0.225 0.000 1.213 12 L CA 0.255 55.206 54.840 0.186 0.000 0.843 12 L CB -0.296 41.833 42.059 0.117 0.000 1.107 12 L HN 0.733 nan 8.230 nan 0.000 0.487 13 W N 5.042 126.371 121.300 0.049 0.000 2.190 13 W HA 0.361 5.174 4.660 0.255 0.000 0.330 13 W C -0.243 176.270 176.519 -0.011 0.000 1.299 13 W CA -0.448 56.912 57.345 0.025 0.000 1.215 13 W CB 0.803 30.273 29.460 0.017 0.000 1.147 13 W HN 0.768 nan 8.180 nan 0.000 0.563 14 R N 3.776 123.566 120.500 -1.185 0.000 2.604 14 R HA 0.111 4.604 4.340 0.255 0.000 0.270 14 R C -0.067 175.449 176.300 -1.306 0.000 1.052 14 R CA -0.807 54.700 56.100 -0.988 0.000 0.902 14 R CB 1.362 31.336 30.300 -0.544 0.000 1.233 14 R HN 0.658 nan 8.270 nan 0.000 0.455 15 Q N 1.374 120.720 119.800 -0.757 0.000 2.491 15 Q HA -0.075 4.419 4.340 0.255 0.000 0.214 15 Q C -0.413 175.536 176.000 -0.086 0.000 0.970 15 Q CA 1.425 56.989 55.803 -0.398 0.000 0.960 15 Q CB 0.253 28.928 28.738 -0.105 0.000 0.996 15 Q HN 0.720 nan 8.270 nan 0.000 0.524 16 D N -2.683 117.650 120.400 -0.112 0.000 2.636 16 D HA 0.110 4.904 4.640 0.255 0.000 0.270 16 D C 0.969 177.367 176.300 0.163 0.000 1.430 16 D CA 0.404 54.505 54.000 0.169 0.000 0.796 16 D CB -0.158 40.701 40.800 0.099 0.000 1.117 16 D HN 0.157 nan 8.370 nan 0.000 0.480 17 A N 1.257 124.064 122.820 -0.022 0.000 1.917 17 A HA -0.018 4.455 4.320 0.255 0.000 0.219 17 A C 2.408 180.237 177.584 0.408 0.000 1.182 17 A CA 2.455 54.588 52.037 0.160 0.000 0.633 17 A CB -0.820 18.251 19.000 0.118 0.000 0.819 17 A HN 0.407 nan 8.150 nan 0.000 0.448 18 A N -0.284 122.743 122.820 0.344 0.000 1.877 18 A HA -0.199 4.274 4.320 0.255 0.000 0.216 18 A C 1.907 179.792 177.584 0.501 0.000 1.186 18 A CA 1.770 54.054 52.037 0.412 0.000 0.620 18 A CB -0.607 18.588 19.000 0.325 0.000 0.822 18 A HN 0.649 nan 8.150 nan 0.000 0.443 19 E N -1.494 119.030 120.200 0.540 0.000 2.204 19 E HA -0.133 4.370 4.350 0.255 0.000 0.194 19 E C 1.667 178.582 176.600 0.524 0.000 0.989 19 E CA 1.096 57.883 56.400 0.644 0.000 0.824 19 E CB -0.248 29.807 29.700 0.591 0.000 0.756 19 E HN 0.723 nan 8.360 nan 0.000 0.477 20 F N 0.319 120.418 119.950 0.249 0.000 2.084 20 F HA -0.230 4.450 4.527 0.255 0.000 0.296 20 F C 1.698 177.567 175.800 0.116 0.000 1.111 20 F CA 1.480 59.537 58.000 0.094 0.000 1.224 20 F CB -0.292 38.626 39.000 -0.137 0.000 0.991 20 F HN -0.045 nan 8.300 nan 0.000 0.471 21 Y N -1.516 118.912 120.300 0.214 0.000 2.314 21 Y HA -0.132 4.571 4.550 0.255 0.000 0.293 21 Y C 2.206 178.126 175.900 0.033 0.000 1.129 21 Y CA 1.579 59.700 58.100 0.035 0.000 1.201 21 Y CB -0.878 37.701 38.460 0.198 0.000 0.999 21 Y HN 0.186 nan 8.280 nan 0.000 0.541 22 F N -0.344 119.650 119.950 0.072 0.000 2.416 22 F HA -0.069 4.611 4.527 0.256 0.000 0.296 22 F C 2.360 177.852 175.800 -0.514 0.000 1.099 22 F CA 0.632 58.528 58.000 -0.173 0.000 1.427 22 F CB -0.401 38.462 39.000 -0.228 0.000 1.079 22 F HN -0.170 nan 8.300 nan 0.000 0.536 23 S N 0.986 116.469 115.700 -0.362 0.000 2.390 23 S HA -0.310 4.313 4.470 0.255 0.000 0.234 23 S C 1.841 176.156 174.600 -0.474 0.000 1.063 23 S CA 2.135 60.070 58.200 -0.441 0.000 1.108 23 S CB -0.444 62.876 63.200 0.199 0.000 0.975 23 S HN 0.534 nan 8.310 nan 0.000 0.442 24 R N 0.746 121.006 120.500 -0.399 0.000 2.313 24 R HA 0.197 4.690 4.340 0.255 0.000 0.199 24 R C 1.055 177.063 176.300 -0.487 0.000 0.958 24 R CA 0.489 56.299 56.100 -0.485 0.000 1.047 24 R CB -0.292 29.513 30.300 -0.825 0.000 0.955 24 R HN 0.382 nan 8.270 nan 0.000 0.481 25 L N 0.676 121.505 121.223 -0.656 0.000 2.766 25 L HA 0.164 4.657 4.340 0.255 0.000 0.242 25 L C 1.714 178.127 176.870 -0.762 0.000 1.136 25 L CA 0.055 54.543 54.840 -0.586 0.000 0.933 25 L CB 0.509 42.263 42.059 -0.509 0.000 1.241 25 L HN 0.162 nan 8.230 nan 0.000 0.522 26 S N -1.701 113.379 115.700 -1.033 0.000 2.507 26 S HA -0.115 4.509 4.470 0.255 0.000 0.235 26 S C 1.471 175.825 174.600 -0.411 0.000 0.988 26 S CA 0.680 58.300 58.200 -0.966 0.000 0.944 26 S CB -0.472 61.992 63.200 -1.227 0.000 0.762 26 S HN 0.476 nan 8.310 nan 0.000 0.526 27 H N 0.430 119.388 119.070 -0.187 0.000 2.551 27 H HA 0.395 5.104 4.556 0.256 0.000 0.271 27 H C -0.095 175.234 175.328 0.002 0.000 0.984 27 H CA -0.135 55.901 56.048 -0.020 0.000 1.164 27 H CB 0.237 29.996 29.762 -0.006 0.000 1.437 27 H HN 0.391 nan 8.280 nan 0.000 0.550 28 L N 2.966 124.223 121.223 0.056 0.000 2.290 28 L HA 0.254 4.747 4.340 0.255 0.000 0.284 28 L C -2.193 174.759 176.870 0.137 0.000 1.078 28 L CA -2.057 52.857 54.840 0.123 0.000 0.815 28 L CB 0.819 42.976 42.059 0.163 0.000 1.162 28 L HN -0.180 nan 8.230 nan 0.000 0.435 29 P HA -0.072 nan 4.420 nan 0.000 0.265 29 P C -0.596 176.826 177.300 0.204 0.000 1.193 29 P CA 0.272 63.380 63.100 0.014 0.000 0.765 29 P CB 0.191 31.896 31.700 0.010 0.000 0.823 30 W N -0.059 121.334 121.300 0.154 0.000 2.046 30 W HA -0.225 4.588 4.660 0.256 0.000 0.263 30 W C 0.305 176.998 176.519 0.289 0.000 1.048 30 W CA 0.272 57.741 57.345 0.208 0.000 0.474 30 W CB -2.218 27.348 29.460 0.177 0.000 2.069 30 W HN 0.414 nan 8.180 nan 0.000 1.264 31 A N 1.160 124.214 122.820 0.390 0.000 2.409 31 A HA 0.689 5.162 4.320 0.255 0.000 0.267 31 A C 0.148 178.025 177.584 0.488 0.000 1.127 31 A CA 0.466 52.733 52.037 0.384 0.000 0.795 31 A CB 0.201 19.291 19.000 0.150 0.000 1.061 31 A HN 0.223 nan 8.150 nan 0.000 0.502 32 M N 2.254 122.101 119.600 0.412 0.000 2.433 32 M HA 0.481 5.115 4.480 0.255 0.000 0.290 32 M C -1.375 174.773 176.300 -0.253 0.000 1.173 32 M CA -0.626 54.733 55.300 0.097 0.000 0.905 32 M CB 2.286 34.854 32.600 -0.053 0.000 1.692 32 M HN 0.574 nan 8.290 nan 0.000 0.462 33 L N 3.700 124.588 121.223 -0.558 0.000 2.381 33 L HA 0.667 5.160 4.340 0.255 0.000 0.274 33 L C -1.933 174.792 176.870 -0.241 0.000 0.988 33 L CA -0.312 54.179 54.840 -0.583 0.000 0.824 33 L CB 1.646 43.063 42.059 -1.069 0.000 1.263 33 L HN 0.693 nan 8.230 nan 0.000 0.410 34 L N 5.259 126.411 121.223 -0.120 0.000 2.265 34 L HA 0.465 4.958 4.340 0.255 0.000 0.289 34 L C -0.826 176.085 176.870 0.069 0.000 1.033 34 L CA -0.564 54.282 54.840 0.010 0.000 0.814 34 L CB 1.032 43.117 42.059 0.043 0.000 1.203 34 L HN 0.702 nan 8.230 nan 0.000 0.423 35 H N 1.248 120.348 119.070 0.051 0.000 2.495 35 H HA 0.255 4.964 4.556 0.255 0.000 0.348 35 H C 0.284 175.588 175.328 -0.039 0.000 1.113 35 H CA -0.341 55.728 56.048 0.035 0.000 1.195 35 H CB 1.860 31.701 29.762 0.133 0.000 1.521 35 H HN 0.522 nan 8.280 nan 0.000 0.509 36 S N 3.268 118.777 115.700 -0.318 0.000 2.710 36 S HA 0.124 4.747 4.470 0.255 0.000 0.224 36 S C 1.449 175.966 174.600 -0.138 0.000 0.948 36 S CA 0.589 58.644 58.200 -0.242 0.000 0.949 36 S CB -0.222 62.788 63.200 -0.317 0.000 0.778 36 S HN 1.047 nan 8.310 nan 0.000 0.498 37 G N 0.970 109.839 108.800 0.114 0.000 2.168 37 G HA2 -0.364 3.750 3.960 0.255 0.000 0.257 37 G HA3 -0.364 3.750 3.960 0.255 0.000 0.257 37 G C 0.270 175.250 174.900 0.133 0.000 0.997 37 G CA 0.275 45.458 45.100 0.139 0.000 0.708 37 G HN 0.566 nan 8.290 nan 0.000 0.520 38 Y N -3.304 117.018 120.300 0.037 0.000 4.490 38 Y HA -0.185 4.518 4.550 0.255 0.000 0.233 38 Y C 1.670 177.492 175.900 -0.129 0.000 1.101 38 Y CA 0.855 58.906 58.100 -0.082 0.000 2.010 38 Y CB -1.989 36.484 38.460 0.022 0.000 1.622 38 Y HN 1.566 nan 8.280 nan 0.000 0.675 39 A N 0.254 123.042 122.820 -0.054 0.000 2.371 39 A HA 0.397 4.871 4.320 0.255 0.000 0.257 39 A C 0.835 178.286 177.584 -0.222 0.000 1.089 39 A CA 0.019 52.002 52.037 -0.090 0.000 0.794 39 A CB 0.275 19.276 19.000 0.002 0.000 1.029 39 A HN 0.246 nan 8.150 nan 0.000 0.488 40 D N 1.114 121.297 120.400 -0.362 0.000 2.400 40 D HA 0.126 4.920 4.640 0.255 0.000 0.243 40 D C 0.047 176.045 176.300 -0.504 0.000 1.184 40 D CA 0.801 54.576 54.000 -0.375 0.000 0.853 40 D CB -0.339 40.276 40.800 -0.308 0.000 0.944 40 D HN 0.676 nan 8.370 nan 0.000 0.501 41 H N -1.379 117.489 119.070 -0.336 0.000 2.771 41 H HA 0.275 4.984 4.556 0.256 0.000 0.344 41 H C -1.534 173.528 175.328 -0.443 0.000 1.260 41 H CA -1.815 53.944 56.048 -0.481 0.000 1.276 41 H CB 0.861 29.974 29.762 -1.081 0.000 1.881 41 H HN -0.273 nan 8.280 nan 0.000 0.615 42 P HA -0.113 nan 4.420 nan 0.000 0.223 42 P C 0.124 177.437 177.300 0.022 0.000 1.151 42 P CA 1.075 64.147 63.100 -0.047 0.000 0.787 42 P CB 0.033 31.782 31.700 0.081 0.000 0.788 43 Y N -1.954 118.428 120.300 0.137 0.000 2.468 43 Y HA 0.432 5.135 4.550 0.256 0.000 0.268 43 Y C 1.005 176.906 175.900 0.002 0.000 1.177 43 Y CA -0.190 58.003 58.100 0.154 0.000 1.265 43 Y CB -0.836 37.777 38.460 0.254 0.000 1.103 43 Y HN -0.094 nan 8.280 nan 0.000 0.522 44 S N 0.033 115.631 115.700 -0.171 0.000 2.835 44 S HA 0.258 4.881 4.470 0.255 0.000 0.248 44 S C 1.206 175.679 174.600 -0.213 0.000 1.070 44 S CA -0.723 57.352 58.200 -0.209 0.000 1.090 44 S CB 0.006 63.084 63.200 -0.203 0.000 0.978 44 S HN 0.503 nan 8.310 nan 0.000 0.510 45 R N 0.176 120.572 120.500 -0.173 0.000 2.119 45 R HA 0.256 4.749 4.340 0.255 0.000 0.222 45 R C -0.690 175.442 176.300 -0.280 0.000 1.088 45 R CA 0.991 56.912 56.100 -0.298 0.000 0.984 45 R CB 0.111 30.103 30.300 -0.513 0.000 0.884 45 R HN 0.456 nan 8.270 nan 0.000 0.447 46 F N 0.610 120.624 119.950 0.107 0.000 2.538 46 F HA 0.368 5.048 4.527 0.255 0.000 0.325 46 F C -0.403 175.422 175.800 0.041 0.000 1.066 46 F CA -1.154 56.927 58.000 0.136 0.000 0.946 46 F CB 1.549 40.608 39.000 0.098 0.000 1.199 46 F HN -0.132 nan 8.300 nan 0.000 0.473 47 D N 2.523 123.089 120.400 0.276 0.000 2.350 47 D HA 0.582 5.375 4.640 0.255 0.000 0.245 47 D C -0.674 175.688 176.300 0.105 0.000 1.036 47 D CA -0.086 53.961 54.000 0.078 0.000 0.848 47 D CB 2.734 43.515 40.800 -0.031 0.000 1.307 47 D HN 0.289 nan 8.370 nan 0.000 0.469 48 I N 1.047 121.629 120.570 0.019 0.000 2.498 48 I HA 0.319 4.642 4.170 0.255 0.000 0.290 48 I C -0.662 175.394 176.117 -0.101 0.000 1.032 48 I CA -0.961 60.307 61.300 -0.052 0.000 1.073 48 I CB 2.417 40.322 38.000 -0.158 0.000 1.251 48 I HN -0.076 nan 8.210 nan 0.000 0.426 49 V N 6.606 126.473 119.914 -0.078 0.000 2.604 49 V HA 0.641 4.914 4.120 0.255 0.000 0.305 49 V C -0.336 175.592 176.094 -0.278 0.000 1.043 49 V CA -0.578 61.680 62.300 -0.069 0.000 0.888 49 V CB 2.350 34.273 31.823 0.167 0.000 0.995 49 V HN 0.534 nan 8.190 nan 0.000 0.429 50 V N 1.772 121.456 119.914 -0.383 0.000 3.130 50 V HA 1.123 5.396 4.120 0.255 0.000 0.310 50 V C -0.396 175.525 176.094 -0.289 0.000 1.158 50 V CA -0.510 61.297 62.300 -0.822 0.000 1.029 50 V CB 1.716 32.716 31.823 -1.372 0.000 1.057 50 V HN 1.482 nan 8.190 nan 0.000 0.436 51 A N 0.436 123.281 122.820 0.041 0.000 2.540 51 A HA 0.757 5.230 4.320 0.255 0.000 0.291 51 A C -0.558 177.453 177.584 0.711 0.000 1.083 51 A CA -0.045 52.330 52.037 0.563 0.000 0.650 51 A CB 0.955 20.355 19.000 0.667 0.000 1.292 51 A HN 1.575 nan 8.150 nan 0.000 0.435 52 E N -0.680 119.821 120.200 0.501 0.000 2.240 52 E HA -0.129 4.374 4.350 0.255 0.000 0.194 52 E C -2.234 174.479 176.600 0.188 0.000 1.385 52 E CA 0.930 57.483 56.400 0.255 0.000 0.686 52 E CB -1.793 27.902 29.700 -0.008 0.000 1.125 52 E HN 0.541 nan 8.360 nan 0.000 0.359 53 P HA -0.002 nan 4.420 nan 0.000 0.269 53 P C 1.369 178.500 177.300 -0.280 0.000 1.209 53 P CA 0.086 62.901 63.100 -0.474 0.000 0.776 53 P CB 0.450 31.618 31.700 -0.888 0.000 0.876 54 I N -0.755 119.687 120.570 -0.213 0.000 3.059 54 I HA 0.133 4.456 4.170 0.255 0.000 0.270 54 I C 0.839 176.840 176.117 -0.193 0.000 1.238 54 I CA 0.396 61.613 61.300 -0.138 0.000 1.478 54 I CB -0.096 37.872 38.000 -0.053 0.000 1.097 54 I HN 0.161 nan 8.210 nan 0.000 0.455 55 C N 1.598 120.717 119.300 -0.301 0.000 2.985 55 C HA 0.706 5.319 4.460 0.255 0.000 0.332 55 C C -0.049 174.662 174.990 -0.464 0.000 1.164 55 C CA 0.153 58.993 59.018 -0.297 0.000 1.347 55 C CB 1.240 28.871 27.740 -0.183 0.000 1.764 55 C HN 0.557 nan 8.230 nan 0.000 0.489 56 T N 2.638 116.890 114.554 -0.503 0.000 2.916 56 T HA 0.842 5.345 4.350 0.255 0.000 0.292 56 T C -1.287 173.197 174.700 -0.360 0.000 1.055 56 T CA -0.699 60.974 62.100 -0.712 0.000 1.009 56 T CB 1.556 69.607 68.868 -1.361 0.000 1.118 56 T HN 0.578 nan 8.240 nan 0.000 0.497 57 L N 1.402 122.473 121.223 -0.253 0.000 2.406 57 L HA 0.590 5.083 4.340 0.255 0.000 0.272 57 L C -0.175 176.721 176.870 0.044 0.000 0.980 57 L CA -0.450 54.346 54.840 -0.072 0.000 0.831 57 L CB 2.284 44.312 42.059 -0.052 0.000 1.253 57 L HN 0.872 nan 8.230 nan 0.000 0.406 58 T N 1.140 115.740 114.554 0.077 0.000 2.833 58 T HA 0.537 5.040 4.350 0.255 0.000 0.297 58 T C -0.191 174.521 174.700 0.020 0.000 1.015 58 T CA -0.496 61.660 62.100 0.094 0.000 0.963 58 T CB 1.154 70.153 68.868 0.218 0.000 0.955 58 T HN 0.433 nan 8.240 nan 0.000 0.449 59 T N 3.763 118.260 114.554 -0.094 0.000 2.794 59 T HA 0.620 5.124 4.350 0.255 0.000 0.280 59 T C -0.908 173.670 174.700 -0.204 0.000 0.987 59 T CA -0.391 61.664 62.100 -0.075 0.000 0.993 59 T CB 0.385 69.213 68.868 -0.068 0.000 0.939 59 T HN 0.353 nan 8.240 nan 0.000 0.449 60 F N 2.170 122.127 119.950 0.013 0.000 2.553 60 F HA 0.536 5.216 4.527 0.255 0.000 0.335 60 F C 1.161 176.960 175.800 -0.002 0.000 1.148 60 F CA -0.163 57.842 58.000 0.009 0.000 0.963 60 F CB 1.268 40.276 39.000 0.014 0.000 1.217 60 F HN 0.881 nan 8.300 nan 0.000 0.441 61 G N 3.896 112.788 108.800 0.153 0.000 2.660 61 G HA2 -0.417 3.696 3.960 0.255 0.000 0.321 61 G HA3 -0.417 3.696 3.960 0.255 0.000 0.321 61 G C 1.142 176.062 174.900 0.033 0.000 1.246 61 G CA 0.862 46.006 45.100 0.072 0.000 1.000 61 G HN 0.615 nan 8.290 nan 0.000 0.550 62 K N 1.319 121.741 120.400 0.036 0.000 2.418 62 K HA 0.200 4.673 4.320 0.255 0.000 0.195 62 K C 0.580 177.200 176.600 0.033 0.000 1.035 62 K CA 0.731 57.029 56.287 0.019 0.000 1.003 62 K CB 0.211 32.722 32.500 0.018 0.000 0.793 62 K HN 0.341 nan 8.250 nan 0.000 0.494 63 E N 0.806 121.044 120.200 0.062 0.000 2.195 63 E HA 0.231 4.734 4.350 0.255 0.000 0.271 63 E C -0.855 175.791 176.600 0.076 0.000 0.923 63 E CA -0.276 56.163 56.400 0.065 0.000 0.790 63 E CB 2.177 31.920 29.700 0.072 0.000 1.155 63 E HN -0.157 nan 8.360 nan 0.000 0.402 64 T N 1.377 115.964 114.554 0.054 0.000 2.786 64 T HA 0.321 4.824 4.350 0.255 0.000 0.283 64 T C -0.221 174.509 174.700 0.050 0.000 0.992 64 T CA -0.524 61.606 62.100 0.050 0.000 0.954 64 T CB 1.110 69.997 68.868 0.031 0.000 0.934 64 T HN 0.064 nan 8.240 nan 0.000 0.440 65 V N 4.525 124.478 119.914 0.066 0.000 2.364 65 V HA 0.311 4.584 4.120 0.255 0.000 0.272 65 V C 0.075 176.184 176.094 0.024 0.000 1.036 65 V CA -0.640 61.694 62.300 0.057 0.000 0.880 65 V CB 1.180 33.060 31.823 0.095 0.000 0.991 65 V HN 0.682 nan 8.190 nan 0.000 0.460 66 V N 4.888 124.801 119.914 -0.002 0.000 2.333 66 V HA 0.504 4.777 4.120 0.255 0.000 0.274 66 V C 0.280 176.345 176.094 -0.048 0.000 1.028 66 V CA -0.037 62.241 62.300 -0.037 0.000 0.851 66 V CB 1.535 33.337 31.823 -0.034 0.000 1.000 66 V HN 0.893 nan 8.190 nan 0.000 0.456 67 S N 4.524 120.171 115.700 -0.088 0.000 2.502 67 S HA 0.695 5.318 4.470 0.255 0.000 0.304 67 S C -0.888 173.634 174.600 -0.130 0.000 1.097 67 S CA -0.546 57.604 58.200 -0.084 0.000 1.045 67 S CB 1.707 64.874 63.200 -0.055 0.000 1.019 67 S HN 0.844 nan 8.310 nan 0.000 0.481 68 E N 3.615 123.760 120.200 -0.092 0.000 2.432 68 E HA 0.480 4.983 4.350 0.255 0.000 0.272 68 E C 0.011 176.572 176.600 -0.064 0.000 0.937 68 E CA -0.281 56.062 56.400 -0.094 0.000 0.812 68 E CB 1.104 30.755 29.700 -0.081 0.000 1.377 68 E HN 0.835 nan 8.360 nan 0.000 0.399 69 S N 2.291 117.950 115.700 -0.068 0.000 4.139 69 S HA -0.305 4.318 4.470 0.255 0.000 0.603 69 S C 1.193 175.776 174.600 -0.028 0.000 1.897 69 S CA 1.734 59.907 58.200 -0.045 0.000 4.241 69 S CB -0.736 62.440 63.200 -0.040 0.000 0.221 69 S HN 0.885 nan 8.310 nan 0.000 0.488 70 E N 2.754 122.941 120.200 -0.022 0.000 2.474 70 E HA 0.102 4.605 4.350 0.255 0.000 0.194 70 E C -0.065 176.527 176.600 -0.013 0.000 1.041 70 E CA 0.378 56.771 56.400 -0.012 0.000 0.874 70 E CB -0.062 29.633 29.700 -0.008 0.000 0.914 70 E HN 0.621 nan 8.360 nan 0.000 0.498 71 K N 1.240 121.628 120.400 -0.021 0.000 2.174 71 K HA 0.426 4.899 4.320 0.255 0.000 0.275 71 K C -0.020 176.568 176.600 -0.020 0.000 1.015 71 K CA -0.529 55.747 56.287 -0.019 0.000 0.933 71 K CB 1.711 34.197 32.500 -0.023 0.000 1.025 71 K HN -0.085 nan 8.250 nan 0.000 0.463 72 R N 1.482 121.976 120.500 -0.010 0.000 2.533 72 R HA 0.260 4.753 4.340 0.255 0.000 0.288 72 R C -1.502 174.798 176.300 -0.000 0.000 1.039 72 R CA -0.286 55.811 56.100 -0.005 0.000 0.909 72 R CB 2.078 32.382 30.300 0.006 0.000 1.195 72 R HN 0.622 nan 8.270 nan 0.000 0.438 73 T N 2.363 116.917 114.554 -0.000 0.000 2.861 73 T HA 0.462 4.965 4.350 0.255 0.000 0.287 73 T C -1.092 173.615 174.700 0.012 0.000 1.003 73 T CA -0.223 61.879 62.100 0.003 0.000 0.977 73 T CB 1.814 70.679 68.868 -0.005 0.000 0.996 73 T HN 0.532 nan 8.240 nan 0.000 0.448 74 T N 2.297 116.861 114.554 0.016 0.000 2.863 74 T HA 0.754 5.257 4.350 0.255 0.000 0.285 74 T C -0.594 174.120 174.700 0.022 0.000 1.009 74 T CA -0.572 61.543 62.100 0.025 0.000 0.989 74 T CB 1.809 70.695 68.868 0.030 0.000 1.004 74 T HN 0.645 nan 8.240 nan 0.000 0.455 75 T N -0.215 114.355 114.554 0.026 0.000 2.853 75 T HA 0.507 5.010 4.350 0.255 0.000 0.311 75 T C 0.570 175.286 174.700 0.026 0.000 1.307 75 T CA -0.352 61.761 62.100 0.022 0.000 1.019 75 T CB 1.458 70.338 68.868 0.019 0.000 1.264 75 T HN 0.616 nan 8.240 nan 0.000 0.497 76 T N -0.377 114.191 114.554 0.023 0.000 3.092 76 T HA 0.309 4.812 4.350 0.255 0.000 0.258 76 T C 0.121 174.837 174.700 0.026 0.000 1.031 76 T CA -0.353 61.761 62.100 0.024 0.000 0.925 76 T CB -0.196 68.684 68.868 0.021 0.000 1.036 76 T HN 0.519 nan 8.240 nan 0.000 0.544 77 D N 2.893 123.310 120.400 0.029 0.000 2.362 77 D HA 0.069 4.862 4.640 0.255 0.000 0.238 77 D C 0.241 176.572 176.300 0.051 0.000 1.212 77 D CA -0.118 53.904 54.000 0.036 0.000 0.902 77 D CB 0.295 41.114 40.800 0.032 0.000 1.180 77 D HN 0.255 nan 8.370 nan 0.000 0.445 78 D N 1.189 121.633 120.400 0.074 0.000 2.570 78 D HA -0.070 4.723 4.640 0.255 0.000 0.243 78 D C -1.503 174.871 176.300 0.124 0.000 1.171 78 D CA -0.967 53.111 54.000 0.131 0.000 0.879 78 D CB 1.056 41.951 40.800 0.158 0.000 1.143 78 D HN 0.044 nan 8.370 nan 0.000 0.511 79 P HA -0.121 nan 4.420 nan 0.000 0.220 79 P C 1.807 179.187 177.300 0.132 0.000 1.148 79 P CA 0.686 63.850 63.100 0.107 0.000 0.803 79 P CB 0.329 32.074 31.700 0.076 0.000 0.782 80 L N -0.662 120.671 121.223 0.184 0.000 2.179 80 L HA -0.061 4.432 4.340 0.255 0.000 0.208 80 L C 2.990 179.880 176.870 0.033 0.000 1.096 80 L CA 1.070 55.965 54.840 0.091 0.000 0.779 80 L CB -0.708 41.351 42.059 -0.001 0.000 0.922 80 L HN 0.020 nan 8.230 nan 0.000 0.443 81 Q N 0.005 119.832 119.800 0.046 0.000 2.119 81 Q HA -0.158 4.335 4.340 0.255 0.000 0.201 81 Q C 2.207 178.213 176.000 0.010 0.000 0.972 81 Q CA 1.439 57.251 55.803 0.016 0.000 0.847 81 Q CB 0.172 28.928 28.738 0.029 0.000 0.903 81 Q HN 0.315 nan 8.270 nan 0.000 0.433 82 V N 1.319 121.250 119.914 0.029 0.000 2.287 82 V HA -0.272 4.001 4.120 0.255 0.000 0.248 82 V C 2.358 178.457 176.094 0.008 0.000 1.053 82 V CA 1.552 63.863 62.300 0.018 0.000 1.027 82 V CB -0.703 31.135 31.823 0.024 0.000 0.646 82 V HN 0.417 nan 8.190 nan 0.000 0.447 83 L N 0.209 121.447 121.223 0.024 0.000 1.990 83 L HA -0.239 4.254 4.340 0.255 0.000 0.213 83 L C 2.496 179.360 176.870 -0.010 0.000 1.072 83 L CA 2.443 57.298 54.840 0.024 0.000 0.755 83 L CB -0.965 41.140 42.059 0.077 0.000 0.889 83 L HN 0.378 nan 8.230 nan 0.000 0.432 84 Q N -0.496 119.280 119.800 -0.040 0.000 2.096 84 Q HA -0.258 4.235 4.340 0.255 0.000 0.204 84 Q C 2.219 178.156 176.000 -0.105 0.000 0.982 84 Q CA 2.183 57.913 55.803 -0.121 0.000 0.850 84 Q CB -0.245 28.380 28.738 -0.187 0.000 0.901 84 Q HN 0.715 nan 8.270 nan 0.000 0.422 85 Q N -1.190 118.576 119.800 -0.057 0.000 2.079 85 Q HA -0.091 4.402 4.340 0.255 0.000 0.200 85 Q C 2.127 178.114 176.000 -0.022 0.000 0.974 85 Q CA 1.576 57.356 55.803 -0.038 0.000 0.840 85 Q CB -0.016 28.710 28.738 -0.020 0.000 0.898 85 Q HN 0.247 nan 8.270 nan 0.000 0.430 86 V N 1.183 121.089 119.914 -0.014 0.000 2.343 86 V HA -0.256 4.018 4.120 0.255 0.000 0.247 86 V C 2.168 178.283 176.094 0.036 0.000 1.051 86 V CA 1.558 63.858 62.300 -0.001 0.000 1.036 86 V CB -0.495 31.321 31.823 -0.012 0.000 0.654 86 V HN 0.341 nan 8.190 nan 0.000 0.451 87 L N -0.312 120.933 121.223 0.037 0.000 2.083 87 L HA -0.168 4.325 4.340 0.255 0.000 0.209 87 L C 2.353 179.290 176.870 0.112 0.000 1.083 87 L CA 1.448 56.366 54.840 0.129 0.000 0.752 87 L CB -0.647 41.448 42.059 0.060 0.000 0.899 87 L HN 0.343 nan 8.230 nan 0.000 0.433 88 D N -0.057 120.348 120.400 0.009 0.000 2.144 88 D HA -0.133 4.660 4.640 0.255 0.000 0.200 88 D C 2.285 178.575 176.300 -0.017 0.000 0.978 88 D CA 0.975 54.969 54.000 -0.011 0.000 0.833 88 D CB -0.078 40.699 40.800 -0.039 0.000 0.961 88 D HN 0.199 nan 8.370 nan 0.000 0.470 89 R N 0.473 120.965 120.500 -0.014 0.000 2.241 89 R HA 0.016 4.509 4.340 0.255 0.000 0.224 89 R C 2.026 178.295 176.300 -0.050 0.000 1.101 89 R CA 0.784 56.867 56.100 -0.028 0.000 0.995 89 R CB -0.060 30.227 30.300 -0.022 0.000 0.870 89 R HN 0.059 nan 8.270 nan 0.000 0.463 90 A N 0.973 123.765 122.820 -0.047 0.000 2.067 90 A HA -0.118 4.356 4.320 0.255 0.000 0.219 90 A C 0.161 177.609 177.584 -0.228 0.000 1.158 90 A CA 0.931 52.881 52.037 -0.145 0.000 0.661 90 A CB 0.080 18.961 19.000 -0.199 0.000 0.801 90 A HN 0.329 nan 8.150 nan 0.000 0.452 91 D N -1.571 118.723 120.400 -0.176 0.000 2.723 91 D HA -0.143 4.650 4.640 0.255 0.000 0.236 91 D C -0.443 175.694 176.300 -0.272 0.000 1.138 91 D CA 1.043 54.942 54.000 -0.170 0.000 0.676 91 D CB -1.493 39.232 40.800 -0.126 0.000 1.069 91 D HN 0.562 nan 8.370 nan 0.000 0.430 92 I N 0.252 120.567 120.570 -0.425 0.000 2.410 92 I HA 0.338 4.662 4.170 0.255 0.000 0.286 92 I C 0.423 176.314 176.117 -0.377 0.000 1.009 92 I CA -0.580 60.369 61.300 -0.585 0.000 1.111 92 I CB 1.569 38.807 38.000 -1.269 0.000 1.262 92 I HN -0.228 nan 8.210 nan 0.000 0.443 93 R N 6.837 127.209 120.500 -0.213 0.000 2.818 93 R HA 0.296 4.789 4.340 0.255 0.000 0.258 93 R C -2.714 173.539 176.300 -0.078 0.000 1.797 93 R CA -1.238 54.803 56.100 -0.099 0.000 1.532 93 R CB 1.379 31.638 30.300 -0.068 0.000 1.413 93 R HN 0.297 nan 8.270 nan 0.000 0.622 94 P HA 0.105 nan 4.420 nan 0.000 0.278 94 P C -0.321 176.928 177.300 -0.084 0.000 1.258 94 P CA -0.343 62.745 63.100 -0.020 0.000 0.811 94 P CB 0.895 32.644 31.700 0.081 0.000 1.063 95 T N -1.354 113.156 114.554 -0.074 0.000 2.926 95 T HA 0.119 4.622 4.350 0.255 0.000 0.307 95 T C 0.428 175.065 174.700 -0.105 0.000 1.059 95 T CA -0.203 61.826 62.100 -0.118 0.000 1.122 95 T CB -0.627 68.223 68.868 -0.030 0.000 0.972 95 T HN 0.319 nan 8.240 nan 0.000 0.545 96 H N 1.545 120.641 119.070 0.044 0.000 3.016 96 H HA 0.234 4.943 4.556 0.256 0.000 0.345 96 H C 0.746 176.098 175.328 0.040 0.000 1.066 96 H CA 0.511 56.587 56.048 0.047 0.000 1.390 96 H CB 0.303 30.096 29.762 0.051 0.000 1.344 96 H HN 0.601 nan 8.280 nan 0.000 0.605 97 N N 1.539 120.332 118.700 0.155 0.000 2.533 97 N HA -0.014 4.879 4.740 0.255 0.000 0.289 97 N C 0.388 175.954 175.510 0.093 0.000 1.103 97 N CA -0.529 52.580 53.050 0.098 0.000 0.877 97 N CB 1.098 39.619 38.487 0.056 0.000 1.419 97 N HN 0.879 nan 8.380 nan 0.000 0.517 98 E N 1.681 121.949 120.200 0.114 0.000 2.265 98 E HA -0.128 4.376 4.350 0.255 0.000 0.196 98 E C -0.244 176.475 176.600 0.198 0.000 0.996 98 E CA 1.155 57.642 56.400 0.145 0.000 0.832 98 E CB 0.119 29.907 29.700 0.147 0.000 0.756 98 E HN 0.381 nan 8.360 nan 0.000 0.491 99 D N 0.576 121.074 120.400 0.162 0.000 2.363 99 D HA 0.068 4.862 4.640 0.255 0.000 0.220 99 D C 0.217 176.567 176.300 0.083 0.000 0.994 99 D CA 0.590 54.724 54.000 0.224 0.000 0.890 99 D CB 0.329 41.226 40.800 0.163 0.000 0.906 99 D HN 0.273 nan 8.370 nan 0.000 0.530 100 L N 1.608 122.800 121.223 -0.051 0.000 2.488 100 L HA 0.216 4.709 4.340 0.255 0.000 0.250 100 L C -1.721 175.020 176.870 -0.216 0.000 1.280 100 L CA -1.305 53.443 54.840 -0.153 0.000 0.929 100 L CB 2.359 44.379 42.059 -0.065 0.000 1.200 100 L HN -0.273 nan 8.230 nan 0.000 0.495 101 P HA -0.181 nan 4.420 nan 0.000 0.218 101 P C 0.225 177.413 177.300 -0.186 0.000 1.149 101 P CA 1.181 64.125 63.100 -0.260 0.000 0.817 101 P CB 0.237 31.679 31.700 -0.430 0.000 0.785 102 F N 0.972 120.601 119.950 -0.536 0.000 2.427 102 F HA 0.372 5.053 4.527 0.256 0.000 0.348 102 F C 0.187 175.841 175.800 -0.244 0.000 1.125 102 F CA -0.855 56.815 58.000 -0.551 0.000 0.989 102 F CB 1.346 39.742 39.000 -1.007 0.000 1.165 102 F HN -0.302 nan 8.300 nan 0.000 0.442 103 Q N 5.627 125.065 119.800 -0.603 0.000 2.553 103 Q HA 0.425 4.918 4.340 0.255 0.000 0.395 103 Q C 0.329 176.154 176.000 -0.291 0.000 0.971 103 Q CA -0.244 55.357 55.803 -0.337 0.000 1.090 103 Q CB 0.904 29.628 28.738 -0.024 0.000 1.328 103 Q HN 1.086 nan 8.270 nan 0.000 0.413 104 G N -0.442 107.738 108.800 -1.033 0.000 2.814 104 G HA2 0.054 4.167 3.960 0.255 0.000 0.677 104 G HA3 0.054 4.167 3.960 0.255 0.000 0.677 104 G C 0.073 174.244 174.900 -1.215 0.000 1.429 104 G CA -0.433 44.256 45.100 -0.685 0.000 0.868 104 G HN 0.835 nan 8.290 nan 0.000 0.553 105 G N -0.957 107.201 108.800 -1.070 0.000 2.225 105 G HA2 0.593 4.706 3.960 0.255 0.000 0.203 105 G HA3 0.593 4.706 3.960 0.255 0.000 0.203 105 G C 0.165 174.988 174.900 -0.129 0.000 1.335 105 G CA 1.020 45.320 45.100 -1.334 0.000 1.183 105 G HN 2.702 nan 8.290 nan 0.000 0.488 106 A N -0.416 122.439 122.820 0.059 0.000 2.310 106 A HA 0.877 5.350 4.320 0.255 0.000 0.299 106 A C -0.500 177.229 177.584 0.241 0.000 1.147 106 A CA 0.022 52.160 52.037 0.168 0.000 0.818 106 A CB 1.350 20.414 19.000 0.107 0.000 1.096 106 A HN 2.286 nan 8.150 nan 0.000 0.495 107 L N 1.360 122.713 121.223 0.217 0.000 2.505 107 L HA 0.894 5.388 4.340 0.255 0.000 0.259 107 L C -0.074 176.841 176.870 0.074 0.000 0.952 107 L CA 0.759 55.620 54.840 0.035 0.000 0.840 107 L CB 1.224 43.078 42.059 -0.342 0.000 1.358 107 L HN 1.764 nan 8.230 nan 0.000 0.409 108 G N 2.502 111.278 108.800 -0.039 0.000 2.398 108 G HA2 0.384 4.497 3.960 0.255 0.000 0.251 108 G HA3 0.384 4.497 3.960 0.255 0.000 0.251 108 G C -2.333 172.387 174.900 -0.299 0.000 1.277 108 G CA -0.218 44.811 45.100 -0.119 0.000 0.927 108 G HN 1.029 nan 8.290 nan 0.000 0.477 109 L N 0.029 121.024 121.223 -0.380 0.000 2.317 109 L HA 0.895 5.388 4.340 0.255 0.000 0.281 109 L C -1.387 175.142 176.870 -0.567 0.000 1.024 109 L CA -0.989 53.656 54.840 -0.325 0.000 0.810 109 L CB 1.143 43.102 42.059 -0.168 0.000 1.240 109 L HN 0.378 nan 8.230 nan 0.000 0.427 110 F N 4.103 124.047 119.950 -0.010 0.000 2.366 110 F HA 0.613 5.293 4.527 0.255 0.000 0.366 110 F C 1.005 176.843 175.800 0.063 0.000 1.096 110 F CA -0.535 57.410 58.000 -0.091 0.000 1.060 110 F CB 1.195 40.034 39.000 -0.269 0.000 1.282 110 F HN 0.647 nan 8.300 nan 0.000 0.450 111 G N 1.085 109.979 108.800 0.158 0.000 2.507 111 G HA2 0.036 4.149 3.960 0.255 0.000 0.271 111 G HA3 0.036 4.149 3.960 0.255 0.000 0.271 111 G C 0.459 175.599 174.900 0.400 0.000 1.189 111 G CA -0.285 44.947 45.100 0.220 0.000 0.859 111 G HN 0.734 nan 8.290 nan 0.000 0.542 112 Y N 0.202 120.626 120.300 0.206 0.000 2.114 112 Y HA -0.231 4.473 4.550 0.256 0.000 0.282 112 Y C 2.235 178.234 175.900 0.166 0.000 1.165 112 Y CA 2.472 60.648 58.100 0.126 0.000 1.148 112 Y CB 0.234 38.697 38.460 0.005 0.000 0.972 112 Y HN 0.475 nan 8.280 nan 0.000 0.504 113 D N 0.247 120.799 120.400 0.254 0.000 2.378 113 D HA -0.134 4.659 4.640 0.255 0.000 0.222 113 D C 1.968 178.275 176.300 0.013 0.000 0.980 113 D CA 0.739 54.806 54.000 0.113 0.000 0.907 113 D CB -0.192 40.693 40.800 0.143 0.000 0.899 113 D HN 0.406 nan 8.370 nan 0.000 0.527 114 L N 0.631 121.898 121.223 0.073 0.000 2.362 114 L HA 0.019 4.513 4.340 0.255 0.000 0.219 114 L C 2.104 178.856 176.870 -0.198 0.000 1.134 114 L CA 1.172 55.968 54.840 -0.074 0.000 0.807 114 L CB -0.436 41.590 42.059 -0.055 0.000 0.927 114 L HN -0.033 nan 8.230 nan 0.000 0.447 115 G N -0.932 107.898 108.800 0.050 0.000 2.509 115 G HA2 -0.216 3.898 3.960 0.255 0.000 0.218 115 G HA3 -0.216 3.898 3.960 0.255 0.000 0.218 115 G C 1.634 176.423 174.900 -0.186 0.000 1.124 115 G CA 0.337 45.467 45.100 0.050 0.000 0.776 115 G HN 0.400 nan 8.290 nan 0.000 0.547 116 R N -0.266 120.115 120.500 -0.200 0.000 2.285 116 R HA 0.087 4.580 4.340 0.255 0.000 0.213 116 R C 2.004 178.175 176.300 -0.214 0.000 1.068 116 R CA 0.262 56.273 56.100 -0.149 0.000 1.004 116 R CB 0.018 30.269 30.300 -0.082 0.000 0.873 116 R HN 0.047 nan 8.270 nan 0.000 0.467 117 R N -0.507 119.720 120.500 -0.456 0.000 2.297 117 R HA 0.045 4.538 4.340 0.255 0.000 0.197 117 R C 0.590 176.680 176.300 -0.350 0.000 0.943 117 R CA 0.762 56.583 56.100 -0.465 0.000 1.038 117 R CB 0.178 30.091 30.300 -0.644 0.000 0.957 117 R HN 0.235 nan 8.270 nan 0.000 0.484 118 F N -0.364 119.602 119.950 0.026 0.000 2.740 118 F HA 0.309 4.988 4.527 0.255 0.000 0.304 118 F C -0.087 175.721 175.800 0.014 0.000 1.098 118 F CA -0.661 57.353 58.000 0.024 0.000 1.258 118 F CB 0.285 39.312 39.000 0.045 0.000 1.061 118 F HN -0.240 nan 8.300 nan 0.000 0.598 119 E N -0.333 119.941 120.200 0.124 0.000 2.246 119 E HA 0.362 4.866 4.350 0.255 0.000 0.266 119 E C -0.714 175.896 176.600 0.018 0.000 0.880 119 E CA -0.511 55.929 56.400 0.067 0.000 0.762 119 E CB 1.892 31.614 29.700 0.036 0.000 1.180 119 E HN -0.163 nan 8.360 nan 0.000 0.416 120 S N 3.402 119.112 115.700 0.018 0.000 2.465 120 S HA 0.639 5.263 4.470 0.255 0.000 0.279 120 S C -0.936 173.664 174.600 -0.001 0.000 1.201 120 S CA -0.614 57.589 58.200 0.005 0.000 1.053 120 S CB -0.186 63.019 63.200 0.009 0.000 0.953 120 S HN 0.380 nan 8.310 nan 0.000 0.488 121 L N 3.083 124.304 121.223 -0.004 0.000 2.622 121 L HA 0.762 5.255 4.340 0.255 0.000 0.258 121 L C -3.012 173.859 176.870 0.003 0.000 0.996 121 L CA -2.670 52.169 54.840 -0.002 0.000 0.858 121 L CB -1.009 41.047 42.059 -0.003 0.000 1.449 121 L HN 0.314 nan 8.230 nan 0.000 0.411 122 P HA 0.263 nan 4.420 nan 0.000 0.270 122 P C -0.918 176.392 177.300 0.017 0.000 1.221 122 P CA 0.056 63.161 63.100 0.009 0.000 0.788 122 P CB 0.278 31.982 31.700 0.007 0.000 0.904 123 E N 1.289 121.500 120.200 0.019 0.000 2.593 123 E HA 0.316 4.819 4.350 0.255 0.000 0.232 123 E C -0.313 176.301 176.600 0.023 0.000 1.026 123 E CA -0.276 56.139 56.400 0.026 0.000 0.772 123 E CB 0.323 30.036 29.700 0.023 0.000 1.310 123 E HN 0.304 nan 8.360 nan 0.000 0.413 124 I N 0.847 121.433 120.570 0.025 0.000 3.718 124 I HA 0.149 4.472 4.170 0.255 0.000 0.297 124 I C 1.168 177.297 176.117 0.020 0.000 1.220 124 I CA 0.001 61.313 61.300 0.021 0.000 1.381 124 I CB 0.515 38.528 38.000 0.022 0.000 1.238 124 I HN 0.479 nan 8.210 nan 0.000 0.448 125 A N 1.495 124.329 122.820 0.024 0.000 2.429 125 A HA 0.036 4.510 4.320 0.255 0.000 0.242 125 A C 0.342 177.933 177.584 0.011 0.000 1.088 125 A CA 0.075 52.121 52.037 0.015 0.000 0.784 125 A CB 0.045 19.053 19.000 0.014 0.000 1.038 125 A HN 0.349 nan 8.150 nan 0.000 0.501 126 E N 0.374 120.574 120.200 0.001 0.000 2.283 126 E HA 0.151 4.654 4.350 0.255 0.000 0.278 126 E C -0.168 176.428 176.600 -0.006 0.000 1.027 126 E CA -0.371 56.028 56.400 -0.001 0.000 0.843 126 E CB 0.562 30.259 29.700 -0.006 0.000 1.062 126 E HN 0.616 nan 8.360 nan 0.000 0.401 127 Q N 4.082 123.884 119.800 0.002 0.000 2.837 127 Q HA -0.000 4.493 4.340 0.255 0.000 0.235 127 Q C -0.384 175.608 176.000 -0.012 0.000 1.348 127 Q CA -0.225 55.581 55.803 0.004 0.000 0.990 127 Q CB 0.063 28.815 28.738 0.024 0.000 1.570 127 Q HN 0.486 nan 8.270 nan 0.000 0.575 128 D N 2.527 122.903 120.400 -0.041 0.000 2.342 128 D HA 0.063 4.856 4.640 0.255 0.000 0.221 128 D C 0.000 176.259 176.300 -0.069 0.000 1.101 128 D CA -0.005 53.969 54.000 -0.043 0.000 0.837 128 D CB 0.142 40.914 40.800 -0.046 0.000 0.938 128 D HN 0.393 nan 8.370 nan 0.000 0.508 129 I N 0.753 121.273 120.570 -0.083 0.000 2.418 129 I HA 0.194 4.517 4.170 0.255 0.000 0.287 129 I C -0.791 175.343 176.117 0.028 0.000 1.008 129 I CA -1.130 60.118 61.300 -0.085 0.000 1.104 129 I CB 2.673 40.542 38.000 -0.218 0.000 1.264 129 I HN -0.304 nan 8.210 nan 0.000 0.438 130 V N 7.995 127.955 119.914 0.077 0.000 2.304 130 V HA 0.478 4.751 4.120 0.255 0.000 0.269 130 V C -0.294 175.952 176.094 0.254 0.000 1.036 130 V CA -0.372 62.026 62.300 0.163 0.000 0.840 130 V CB 1.037 32.892 31.823 0.054 0.000 1.036 130 V HN 0.496 nan 8.190 nan 0.000 0.466 131 L N 6.825 128.246 121.223 0.330 0.000 2.565 131 L HA 0.574 5.067 4.340 0.255 0.000 0.261 131 L C -2.792 174.004 176.870 -0.122 0.000 0.932 131 L CA -1.545 53.380 54.840 0.141 0.000 0.878 131 L CB 3.420 45.512 42.059 0.055 0.000 1.333 131 L HN 0.344 nan 8.230 nan 0.000 0.409 132 P HA 0.064 nan 4.420 nan 0.000 0.267 132 P C -0.535 176.468 177.300 -0.495 0.000 1.200 132 P CA -0.002 62.416 63.100 -1.136 0.000 0.772 132 P CB 0.575 31.835 31.700 -0.733 0.000 0.855 133 D N 1.070 121.226 120.400 -0.408 0.000 2.264 133 D HA -0.032 4.761 4.640 0.255 0.000 0.208 133 D C 0.668 176.880 176.300 -0.146 0.000 0.966 133 D CA 1.587 55.485 54.000 -0.170 0.000 0.864 133 D CB 0.115 40.847 40.800 -0.113 0.000 0.933 133 D HN 0.317 nan 8.370 nan 0.000 0.499 134 M N 0.015 119.488 119.600 -0.212 0.000 2.277 134 M HA 0.463 5.096 4.480 0.255 0.000 0.282 134 M C -2.102 174.088 176.300 -0.184 0.000 1.074 134 M CA -0.468 54.714 55.300 -0.197 0.000 0.954 134 M CB 2.487 35.016 32.600 -0.118 0.000 1.672 134 M HN -0.188 nan 8.290 nan 0.000 0.471 135 A N 4.835 127.543 122.820 -0.186 0.000 2.605 135 A HA 0.729 5.202 4.320 0.255 0.000 0.293 135 A C -1.766 175.878 177.584 0.100 0.000 1.216 135 A CA -0.495 51.547 52.037 0.009 0.000 0.742 135 A CB 1.027 19.939 19.000 -0.147 0.000 1.170 135 A HN 0.570 nan 8.150 nan 0.000 0.443 136 V N 1.544 121.589 119.914 0.218 0.000 2.760 136 V HA 0.800 5.073 4.120 0.255 0.000 0.309 136 V C 0.626 176.734 176.094 0.023 0.000 1.077 136 V CA -0.122 62.234 62.300 0.093 0.000 0.910 136 V CB 2.305 34.045 31.823 -0.138 0.000 1.008 136 V HN 1.095 nan 8.190 nan 0.000 0.424 137 G N 3.884 112.731 108.800 0.078 0.000 2.417 137 G HA2 0.698 4.811 3.960 0.255 0.000 0.334 137 G HA3 0.698 4.811 3.960 0.255 0.000 0.334 137 G C -0.957 173.721 174.900 -0.370 0.000 1.150 137 G CA -0.586 44.281 45.100 -0.388 0.000 0.923 137 G HN 0.452 nan 8.290 nan 0.000 0.485 138 I N 1.309 121.533 120.570 -0.576 0.000 2.330 138 I HA 0.301 4.624 4.170 0.255 0.000 0.289 138 I C -1.065 174.783 176.117 -0.449 0.000 1.001 138 I CA -1.050 60.060 61.300 -0.316 0.000 1.193 138 I CB 0.529 38.432 38.000 -0.162 0.000 1.345 138 I HN 0.329 nan 8.210 nan 0.000 0.461 139 Y N 3.876 124.196 120.300 0.034 0.000 2.364 139 Y HA 0.335 5.038 4.550 0.255 0.000 0.340 139 Y C 0.908 176.919 175.900 0.185 0.000 0.975 139 Y CA -0.732 57.408 58.100 0.067 0.000 1.089 139 Y CB 1.519 39.962 38.460 -0.028 0.000 1.192 139 Y HN 0.418 nan 8.280 nan 0.000 0.454 140 D N 2.482 123.131 120.400 0.416 0.000 2.328 140 D HA 0.014 4.807 4.640 0.255 0.000 0.221 140 D C -0.355 176.251 176.300 0.510 0.000 1.072 140 D CA 0.677 54.968 54.000 0.485 0.000 0.850 140 D CB 0.235 41.239 40.800 0.340 0.000 0.922 140 D HN 0.582 nan 8.370 nan 0.000 0.516 141 W N -0.181 121.261 121.300 0.235 0.000 2.988 141 W HA 0.710 5.524 4.660 0.256 0.000 0.355 141 W C -1.883 174.724 176.519 0.147 0.000 1.233 141 W CA -1.222 56.196 57.345 0.122 0.000 1.176 141 W CB 0.756 30.259 29.460 0.072 0.000 1.477 141 W HN -0.204 nan 8.180 nan 0.000 0.582 142 A N 1.264 124.151 122.820 0.112 0.000 2.597 142 A HA 0.624 5.097 4.320 0.255 0.000 0.292 142 A C -2.552 175.135 177.584 0.172 0.000 1.057 142 A CA -0.807 51.137 52.037 -0.154 0.000 0.674 142 A CB 1.715 20.726 19.000 0.019 0.000 1.278 142 A HN 0.953 nan 8.150 nan 0.000 0.416 143 L N 2.093 123.370 121.223 0.090 0.000 2.287 143 L HA 0.708 5.201 4.340 0.255 0.000 0.287 143 L C -1.255 175.667 176.870 0.088 0.000 1.022 143 L CA -0.406 54.522 54.840 0.146 0.000 0.814 143 L CB 0.880 43.045 42.059 0.177 0.000 1.217 143 L HN 0.538 nan 8.230 nan 0.000 0.420 144 I N 6.651 127.283 120.570 0.103 0.000 2.362 144 I HA 0.319 4.642 4.170 0.255 0.000 0.289 144 I C -0.413 175.823 176.117 0.198 0.000 0.994 144 I CA -0.583 60.793 61.300 0.127 0.000 1.158 144 I CB 1.603 39.660 38.000 0.095 0.000 1.315 144 I HN 0.230 nan 8.210 nan 0.000 0.451 145 V N 5.579 125.630 119.914 0.227 0.000 2.350 145 V HA 0.275 4.548 4.120 0.255 0.000 0.276 145 V C -0.091 176.138 176.094 0.226 0.000 1.028 145 V CA -0.517 61.911 62.300 0.214 0.000 0.860 145 V CB 1.672 33.576 31.823 0.134 0.000 0.990 145 V HN 0.606 nan 8.190 nan 0.000 0.453 146 D N 3.064 123.579 120.400 0.193 0.000 2.427 146 D HA 0.246 5.039 4.640 0.255 0.000 0.226 146 D C 0.999 177.234 176.300 -0.109 0.000 1.076 146 D CA -0.312 53.715 54.000 0.044 0.000 0.849 146 D CB 0.726 41.616 40.800 0.150 0.000 1.052 146 D HN 0.588 nan 8.370 nan 0.000 0.515 147 H N 1.996 121.065 119.070 -0.002 0.000 2.524 147 H HA -0.064 4.645 4.556 0.256 0.000 0.282 147 H C 1.404 176.753 175.328 0.036 0.000 1.016 147 H CA 0.622 56.719 56.048 0.082 0.000 1.270 147 H CB 0.739 30.534 29.762 0.055 0.000 1.394 147 H HN 0.560 nan 8.280 nan 0.000 0.568 148 Q N 1.416 121.192 119.800 -0.039 0.000 2.165 148 Q HA -0.027 4.467 4.340 0.255 0.000 0.197 148 Q C 1.733 177.650 176.000 -0.138 0.000 0.952 148 Q CA 0.342 56.093 55.803 -0.087 0.000 0.848 148 Q CB 0.339 28.995 28.738 -0.136 0.000 0.931 148 Q HN 0.286 nan 8.270 nan 0.000 0.470 149 R N -0.776 119.642 120.500 -0.137 0.000 2.276 149 R HA 0.096 4.589 4.340 0.255 0.000 0.196 149 R C -0.245 175.892 176.300 -0.271 0.000 0.961 149 R CA 0.471 56.469 56.100 -0.169 0.000 1.024 149 R CB 0.087 30.340 30.300 -0.080 0.000 0.940 149 R HN 0.400 nan 8.270 nan 0.000 0.480 150 H N 0.496 119.124 119.070 -0.736 0.000 2.819 150 H HA -0.132 4.577 4.556 0.255 0.000 0.315 150 H C -0.675 174.011 175.328 -1.070 0.000 1.242 150 H CA 0.584 55.614 56.048 -1.697 0.000 1.157 150 H CB -1.360 27.538 29.762 -1.441 0.000 1.451 150 H HN 0.363 nan 8.280 nan 0.000 0.430 151 T N -2.578 111.789 114.554 -0.313 0.000 2.906 151 T HA 0.641 5.144 4.350 0.255 0.000 0.295 151 T C -0.047 174.866 174.700 0.354 0.000 1.061 151 T CA -0.906 61.257 62.100 0.105 0.000 1.000 151 T CB 2.995 71.906 68.868 0.072 0.000 1.103 151 T HN 0.036 nan 8.240 nan 0.000 0.486 152 V N 2.308 122.443 119.914 0.367 0.000 2.334 152 V HA 0.593 4.867 4.120 0.255 0.000 0.281 152 V C -0.223 175.980 176.094 0.181 0.000 1.016 152 V CA -0.627 61.845 62.300 0.287 0.000 0.832 152 V CB 1.181 33.178 31.823 0.290 0.000 0.999 152 V HN 1.072 nan 8.190 nan 0.000 0.439 153 S N 5.528 121.317 115.700 0.148 0.000 2.519 153 S HA 0.679 5.302 4.470 0.255 0.000 0.309 153 S C -0.719 173.935 174.600 0.090 0.000 1.100 153 S CA -0.434 57.830 58.200 0.107 0.000 1.059 153 S CB 1.644 64.905 63.200 0.101 0.000 1.008 153 S HN 0.583 nan 8.310 nan 0.000 0.478 154 L N 5.385 126.654 121.223 0.077 0.000 2.287 154 L HA 0.752 5.245 4.340 0.255 0.000 0.287 154 L C -1.141 175.785 176.870 0.094 0.000 1.022 154 L CA -0.509 54.393 54.840 0.104 0.000 0.814 154 L CB 0.830 42.931 42.059 0.070 0.000 1.217 154 L HN 0.639 nan 8.230 nan 0.000 0.420 155 L N 2.709 124.013 121.223 0.135 0.000 2.333 155 L HA 1.002 5.495 4.340 0.255 0.000 0.263 155 L C -0.531 176.404 176.870 0.108 0.000 1.014 155 L CA -0.505 54.369 54.840 0.056 0.000 0.820 155 L CB 2.017 44.059 42.059 -0.029 0.000 1.352 155 L HN 0.544 nan 8.230 nan 0.000 0.421 156 S N -1.113 114.578 115.700 -0.015 0.000 2.542 156 S HA 0.454 5.078 4.470 0.255 0.000 0.276 156 S C -0.153 174.356 174.600 -0.152 0.000 1.148 156 S CA -0.562 57.649 58.200 0.019 0.000 0.886 156 S CB 0.892 64.144 63.200 0.087 0.000 1.109 156 S HN 0.836 nan 8.310 nan 0.000 0.458 157 H N 2.682 121.792 119.070 0.068 0.000 2.551 157 H HA 0.230 4.940 4.556 0.255 0.000 0.266 157 H C 0.686 176.008 175.328 -0.011 0.000 0.964 157 H CA 0.313 56.361 56.048 0.000 0.000 1.180 157 H CB 0.282 30.013 29.762 -0.052 0.000 1.408 157 H HN 0.424 nan 8.280 nan 0.000 0.563 158 N N 0.484 119.239 118.700 0.093 0.000 2.948 158 N HA -0.021 4.872 4.740 0.255 0.000 0.323 158 N C -0.008 175.502 175.510 0.001 0.000 1.374 158 N CA -0.376 52.695 53.050 0.035 0.000 0.765 158 N CB 0.073 38.573 38.487 0.021 0.000 1.152 158 N HN 0.042 nan 8.380 nan 0.000 0.528 159 D N 1.468 121.855 120.400 -0.022 0.000 2.352 159 D HA 0.050 4.843 4.640 0.255 0.000 0.245 159 D C 0.786 177.061 176.300 -0.041 0.000 1.224 159 D CA -0.081 53.902 54.000 -0.029 0.000 0.879 159 D CB 0.822 41.604 40.800 -0.031 0.000 1.057 159 D HN 0.127 nan 8.370 nan 0.000 0.491 160 V N 5.110 125.007 119.914 -0.028 0.000 2.667 160 V HA -0.164 4.109 4.120 0.255 0.000 0.252 160 V C 1.623 177.699 176.094 -0.030 0.000 1.065 160 V CA 1.323 63.606 62.300 -0.027 0.000 1.083 160 V CB -0.287 31.530 31.823 -0.010 0.000 0.692 160 V HN 0.505 nan 8.190 nan 0.000 0.468 161 N N 0.920 119.608 118.700 -0.020 0.000 2.188 161 N HA -0.043 4.851 4.740 0.255 0.000 0.184 161 N C 1.813 177.314 175.510 -0.014 0.000 1.018 161 N CA 1.530 54.574 53.050 -0.011 0.000 0.858 161 N CB -0.331 38.154 38.487 -0.003 0.000 0.989 161 N HN 0.567 nan 8.380 nan 0.000 0.426 162 A N 1.050 123.853 122.820 -0.029 0.000 2.014 162 A HA -0.054 4.419 4.320 0.255 0.000 0.218 162 A C 2.257 179.812 177.584 -0.048 0.000 1.163 162 A CA 0.989 53.010 52.037 -0.027 0.000 0.652 162 A CB -0.225 18.751 19.000 -0.040 0.000 0.808 162 A HN 0.125 nan 8.150 nan 0.000 0.449 163 R N 0.334 120.763 120.500 -0.119 0.000 2.090 163 R HA -0.010 4.483 4.340 0.255 0.000 0.228 163 R C 2.178 178.418 176.300 -0.100 0.000 1.110 163 R CA 1.736 57.690 56.100 -0.243 0.000 0.973 163 R CB -0.597 29.452 30.300 -0.419 0.000 0.869 163 R HN 0.516 nan 8.270 nan 0.000 0.440 164 R N -0.171 120.298 120.500 -0.051 0.000 2.073 164 R HA -0.071 4.422 4.340 0.255 0.000 0.234 164 R C 1.957 178.269 176.300 0.020 0.000 1.134 164 R CA 1.635 57.730 56.100 -0.009 0.000 0.952 164 R CB -0.486 29.819 30.300 0.007 0.000 0.850 164 R HN 0.300 nan 8.270 nan 0.000 0.433 165 A N 0.341 123.176 122.820 0.025 0.000 1.908 165 A HA -0.231 4.243 4.320 0.255 0.000 0.218 165 A C 1.927 179.531 177.584 0.033 0.000 1.181 165 A CA 1.471 53.523 52.037 0.026 0.000 0.627 165 A CB -1.117 17.899 19.000 0.027 0.000 0.818 165 A HN 0.766 nan 8.150 nan 0.000 0.445 166 W N 0.303 121.527 121.300 -0.128 0.000 2.358 166 W HA -0.158 4.655 4.660 0.255 0.000 0.303 166 W C 1.679 178.117 176.519 -0.135 0.000 1.208 166 W CA 1.802 59.064 57.345 -0.138 0.000 1.274 166 W CB -0.282 29.064 29.460 -0.190 0.000 1.138 166 W HN 0.294 nan 8.180 nan 0.000 0.515 167 L N 1.217 122.413 121.223 -0.045 0.000 2.141 167 L HA -0.050 4.443 4.340 0.255 0.000 0.209 167 L C 1.834 178.560 176.870 -0.241 0.000 1.094 167 L CA 2.068 56.761 54.840 -0.246 0.000 0.763 167 L CB -0.859 41.210 42.059 0.018 0.000 0.908 167 L HN 0.049 nan 8.230 nan 0.000 0.437 168 E N -1.217 118.918 120.200 -0.108 0.000 2.502 168 E HA -0.019 4.485 4.350 0.255 0.000 0.194 168 E C 1.582 178.099 176.600 -0.138 0.000 1.062 168 E CA 0.617 56.983 56.400 -0.055 0.000 0.867 168 E CB 0.066 29.794 29.700 0.046 0.000 0.888 168 E HN 0.661 nan 8.360 nan 0.000 0.510 169 S N -0.336 115.215 115.700 -0.248 0.000 2.523 169 S HA 0.068 4.691 4.470 0.255 0.000 0.217 169 S C 0.732 175.127 174.600 -0.342 0.000 0.996 169 S CA -0.495 57.560 58.200 -0.240 0.000 0.921 169 S CB 0.325 63.413 63.200 -0.188 0.000 0.829 169 S HN -0.038 nan 8.310 nan 0.000 0.495 170 Q N 2.842 122.340 119.800 -0.503 0.000 2.311 170 Q HA 0.214 4.707 4.340 0.255 0.000 0.272 170 Q C 0.024 175.712 176.000 -0.520 0.000 1.012 170 Q CA 0.320 55.787 55.803 -0.560 0.000 0.891 170 Q CB 0.598 28.926 28.738 -0.683 0.000 1.201 170 Q HN 0.809 nan 8.270 nan 0.000 0.391 171 Q N 0.226 119.781 119.800 -0.407 0.000 2.214 171 Q HA 0.456 4.950 4.340 0.255 0.000 0.251 171 Q C -1.068 174.665 176.000 -0.445 0.000 0.936 171 Q CA -0.552 55.038 55.803 -0.354 0.000 0.894 171 Q CB 0.616 29.245 28.738 -0.181 0.000 1.252 171 Q HN 0.355 nan 8.270 nan 0.000 0.448 172 F N 1.832 121.704 119.950 -0.131 0.000 2.512 172 F HA 0.164 4.844 4.527 0.255 0.000 0.350 172 F C 0.288 176.043 175.800 -0.076 0.000 1.212 172 F CA 0.021 57.950 58.000 -0.118 0.000 1.099 172 F CB 0.308 39.255 39.000 -0.088 0.000 1.238 172 F HN 0.502 nan 8.300 nan 0.000 0.600 173 S N 4.107 119.815 115.700 0.013 0.000 2.592 173 S HA 0.345 4.968 4.470 0.255 0.000 0.271 173 S C -1.968 172.673 174.600 0.068 0.000 1.326 173 S CA -1.139 57.073 58.200 0.020 0.000 1.024 173 S CB 0.521 63.696 63.200 -0.042 0.000 0.921 173 S HN 0.268 nan 8.310 nan 0.000 0.527 174 P HA 0.264 nan 4.420 nan 0.000 0.271 174 P C -1.305 176.030 177.300 0.058 0.000 1.218 174 P CA -0.473 62.664 63.100 0.062 0.000 0.780 174 P CB 0.337 32.061 31.700 0.041 0.000 0.901 175 Q N -0.023 119.839 119.800 0.103 0.000 2.337 175 Q HA 0.378 4.872 4.340 0.255 0.000 0.270 175 Q C -0.525 175.561 176.000 0.144 0.000 1.043 175 Q CA -1.160 54.735 55.803 0.153 0.000 0.794 175 Q CB 0.920 29.817 28.738 0.266 0.000 1.281 175 Q HN 0.229 nan 8.270 nan 0.000 0.446 176 E N 2.899 123.184 120.200 0.141 0.000 2.415 176 E HA -0.005 4.498 4.350 0.255 0.000 0.260 176 E C -0.665 176.035 176.600 0.166 0.000 1.016 176 E CA 0.211 56.685 56.400 0.123 0.000 0.924 176 E CB 0.278 30.041 29.700 0.105 0.000 0.961 176 E HN 0.570 nan 8.360 nan 0.000 0.459 177 D N 3.358 123.837 120.400 0.132 0.000 2.515 177 D HA -0.167 4.627 4.640 0.255 0.000 0.232 177 D C 0.087 176.500 176.300 0.189 0.000 1.157 177 D CA 0.663 54.752 54.000 0.149 0.000 0.871 177 D CB 0.261 41.118 40.800 0.095 0.000 1.200 177 D HN 0.365 nan 8.370 nan 0.000 0.466 178 F N 1.665 121.669 119.950 0.089 0.000 2.396 178 F HA 0.227 4.907 4.527 0.255 0.000 0.343 178 F C 0.089 175.938 175.800 0.081 0.000 1.104 178 F CA -0.071 57.995 58.000 0.109 0.000 1.161 178 F CB 0.847 39.896 39.000 0.081 0.000 1.146 178 F HN 0.126 nan 8.300 nan 0.000 0.522 179 T N 5.546 119.711 114.554 -0.648 0.000 2.993 179 T HA 0.361 4.864 4.350 0.255 0.000 0.312 179 T C -0.735 173.596 174.700 -0.614 0.000 1.115 179 T CA -0.907 60.922 62.100 -0.452 0.000 1.027 179 T CB 1.239 69.993 68.868 -0.190 0.000 1.116 179 T HN 0.653 nan 8.240 nan 0.000 0.464 180 L N 3.166 124.182 121.223 -0.345 0.000 2.499 180 L HA 0.245 4.738 4.340 0.255 0.000 0.273 180 L C 1.136 177.844 176.870 -0.271 0.000 1.195 180 L CA 0.119 54.778 54.840 -0.302 0.000 0.882 180 L CB 0.833 42.755 42.059 -0.228 0.000 1.133 180 L HN 1.076 nan 8.230 nan 0.000 0.483 181 T N -1.433 112.957 114.554 -0.273 0.000 3.258 181 T HA 0.311 4.814 4.350 0.255 0.000 0.259 181 T C 0.107 174.683 174.700 -0.207 0.000 0.963 181 T CA -0.167 61.803 62.100 -0.217 0.000 0.919 181 T CB -0.136 68.612 68.868 -0.199 0.000 1.110 181 T HN 0.646 nan 8.240 nan 0.000 0.550 182 S N -0.618 114.929 115.700 -0.255 0.000 2.643 182 S HA 0.428 5.051 4.470 0.255 0.000 0.266 182 S C -2.136 172.299 174.600 -0.276 0.000 1.130 182 S CA -1.090 56.979 58.200 -0.219 0.000 0.817 182 S CB 0.930 64.006 63.200 -0.206 0.000 1.107 182 S HN 0.109 nan 8.310 nan 0.000 0.471 183 D N 0.152 120.451 120.400 -0.168 0.000 2.329 183 D HA 0.301 5.094 4.640 0.255 0.000 0.246 183 D C -0.702 175.525 176.300 -0.122 0.000 1.111 183 D CA 0.011 53.940 54.000 -0.118 0.000 0.941 183 D CB 0.338 41.145 40.800 0.012 0.000 1.169 183 D HN 0.602 nan 8.370 nan 0.000 0.441 184 W N 0.806 122.112 121.300 0.011 0.000 2.238 184 W HA 0.174 4.989 4.660 0.258 0.000 0.321 184 W C 0.941 177.545 176.519 0.141 0.000 1.293 184 W CA -0.279 57.096 57.345 0.050 0.000 1.204 184 W CB 0.615 30.076 29.460 0.002 0.000 1.167 184 W HN 0.012 nan 8.180 nan 0.000 0.553 185 Q N 3.065 123.151 119.800 0.478 0.000 2.321 185 Q HA 0.255 4.748 4.340 0.255 0.000 0.270 185 Q C -0.335 175.891 176.000 0.376 0.000 1.032 185 Q CA -0.479 55.549 55.803 0.374 0.000 0.784 185 Q CB 2.094 30.990 28.738 0.264 0.000 1.264 185 Q HN 0.476 nan 8.270 nan 0.000 0.448 186 S N 2.095 117.970 115.700 0.291 0.000 2.585 186 S HA 0.064 4.688 4.470 0.255 0.000 0.273 186 S C 0.955 175.552 174.600 -0.006 0.000 1.339 186 S CA -0.170 58.001 58.200 -0.047 0.000 1.028 186 S CB 0.414 63.541 63.200 -0.123 0.000 0.906 186 S HN 0.797 nan 8.310 nan 0.000 0.528 187 N N 2.966 121.614 118.700 -0.087 0.000 2.449 187 N HA 0.086 4.979 4.740 0.255 0.000 0.191 187 N C 0.045 175.551 175.510 -0.006 0.000 1.161 187 N CA 0.165 53.200 53.050 -0.026 0.000 0.863 187 N CB -0.598 37.863 38.487 -0.044 0.000 0.980 187 N HN 0.774 nan 8.380 nan 0.000 0.458 188 M N -2.741 116.863 119.600 0.008 0.000 2.471 188 M HA 0.404 5.038 4.480 0.255 0.000 0.284 188 M C -1.186 175.202 176.300 0.147 0.000 1.203 188 M CA -0.863 54.482 55.300 0.076 0.000 0.915 188 M CB 1.895 34.551 32.600 0.093 0.000 1.734 188 M HN -0.082 nan 8.290 nan 0.000 0.485 189 T N -0.857 113.780 114.554 0.138 0.000 2.816 189 T HA 0.368 4.871 4.350 0.255 0.000 0.282 189 T C 0.832 175.625 174.700 0.155 0.000 0.993 189 T CA -0.194 61.996 62.100 0.150 0.000 0.994 189 T CB 1.390 70.310 68.868 0.086 0.000 1.025 189 T HN 0.969 nan 8.240 nan 0.000 0.529 190 R N 0.452 120.976 120.500 0.040 0.000 2.117 190 R HA -0.135 4.358 4.340 0.255 0.000 0.243 190 R C 2.138 178.336 176.300 -0.171 0.000 1.143 190 R CA 1.984 57.862 56.100 -0.370 0.000 0.968 190 R CB -0.869 29.131 30.300 -0.500 0.000 0.863 190 R HN 0.843 nan 8.270 nan 0.000 0.444 191 E N 0.052 120.216 120.200 -0.059 0.000 2.158 191 E HA -0.153 4.350 4.350 0.255 0.000 0.191 191 E C 1.784 178.395 176.600 0.018 0.000 0.982 191 E CA 1.016 57.400 56.400 -0.026 0.000 0.823 191 E CB 0.097 29.787 29.700 -0.017 0.000 0.766 191 E HN 0.563 nan 8.360 nan 0.000 0.468 192 Q N -0.812 119.021 119.800 0.054 0.000 2.172 192 Q HA -0.154 4.339 4.340 0.255 0.000 0.200 192 Q C 1.891 177.940 176.000 0.082 0.000 0.964 192 Q CA 1.164 57.003 55.803 0.060 0.000 0.855 192 Q CB -0.171 28.609 28.738 0.069 0.000 0.918 192 Q HN 0.318 nan 8.270 nan 0.000 0.444 193 Y N 0.435 120.758 120.300 0.038 0.000 2.114 193 Y HA -0.185 4.511 4.550 0.243 0.000 0.284 193 Y C 2.151 178.107 175.900 0.093 0.000 1.143 193 Y CA 1.947 60.105 58.100 0.096 0.000 1.135 193 Y CB -0.729 37.845 38.460 0.190 0.000 0.980 193 Y HN 0.064 nan 8.280 nan 0.000 0.499 194 G N -0.295 108.551 108.800 0.076 0.000 2.440 194 G HA2 -0.284 3.830 3.960 0.255 0.000 0.218 194 G HA3 -0.284 3.830 3.960 0.255 0.000 0.218 194 G C 1.450 176.345 174.900 -0.008 0.000 1.154 194 G CA 1.124 46.229 45.100 0.008 0.000 0.767 194 G HN 0.549 nan 8.290 nan 0.000 0.552 195 E N 0.305 120.494 120.200 -0.019 0.000 2.077 195 E HA -0.092 4.411 4.350 0.255 0.000 0.193 195 E C 2.545 179.111 176.600 -0.056 0.000 0.989 195 E CA 1.080 57.464 56.400 -0.027 0.000 0.800 195 E CB -0.046 29.641 29.700 -0.021 0.000 0.746 195 E HN 0.409 nan 8.360 nan 0.000 0.452 196 K N 0.139 120.483 120.400 -0.094 0.000 2.103 196 K HA -0.113 4.360 4.320 0.255 0.000 0.204 196 K C 1.950 178.461 176.600 -0.147 0.000 1.052 196 K CA 0.959 57.179 56.287 -0.111 0.000 0.945 196 K CB -0.227 32.213 32.500 -0.100 0.000 0.722 196 K HN 0.057 nan 8.250 nan 0.000 0.443 197 F N 2.428 122.132 119.950 -0.409 0.000 2.091 197 F HA -0.232 4.317 4.527 0.036 0.000 0.299 197 F C 2.096 177.799 175.800 -0.161 0.000 1.103 197 F CA 1.580 59.376 58.000 -0.339 0.000 1.228 197 F CB 0.033 38.775 39.000 -0.431 0.000 0.984 197 F HN -0.142 nan 8.300 nan 0.000 0.477 198 R N -0.446 120.068 120.500 0.024 0.000 2.115 198 R HA -0.183 4.310 4.340 0.255 0.000 0.230 198 R C 2.198 178.395 176.300 -0.171 0.000 1.111 198 R CA 1.384 57.463 56.100 -0.036 0.000 0.976 198 R CB -0.499 29.811 30.300 0.016 0.000 0.870 198 R HN 0.354 nan 8.270 nan 0.000 0.445 199 Q N 0.812 120.505 119.800 -0.179 0.000 2.079 199 Q HA -0.083 4.410 4.340 0.255 0.000 0.200 199 Q C 1.937 177.758 176.000 -0.299 0.000 0.974 199 Q CA 1.463 57.105 55.803 -0.270 0.000 0.840 199 Q CB -0.098 28.524 28.738 -0.192 0.000 0.898 199 Q HN 0.086 nan 8.270 nan 0.000 0.430 200 V N 0.945 120.753 119.914 -0.178 0.000 2.343 200 V HA -0.282 3.992 4.120 0.255 0.000 0.247 200 V C 2.329 178.335 176.094 -0.147 0.000 1.051 200 V CA 2.184 64.443 62.300 -0.069 0.000 1.036 200 V CB -0.618 31.117 31.823 -0.146 0.000 0.654 200 V HN 0.475 nan 8.190 nan 0.000 0.451 201 Q N -0.551 119.079 119.800 -0.284 0.000 2.167 201 Q HA -0.251 4.243 4.340 0.255 0.000 0.202 201 Q C 2.300 178.233 176.000 -0.113 0.000 0.970 201 Q CA 1.571 57.254 55.803 -0.201 0.000 0.855 201 Q CB -0.114 28.482 28.738 -0.237 0.000 0.911 201 Q HN 0.753 nan 8.270 nan 0.000 0.438 202 E N 0.100 120.181 120.200 -0.200 0.000 2.058 202 E HA -0.220 4.284 4.350 0.255 0.000 0.194 202 E C 1.519 178.052 176.600 -0.112 0.000 0.997 202 E CA 1.072 57.346 56.400 -0.210 0.000 0.801 202 E CB -0.028 29.456 29.700 -0.361 0.000 0.746 202 E HN 0.317 nan 8.360 nan 0.000 0.450 203 Y N 0.620 120.891 120.300 -0.049 0.000 2.165 203 Y HA -0.211 4.493 4.550 0.257 0.000 0.286 203 Y C 2.254 178.115 175.900 -0.066 0.000 1.155 203 Y CA 1.097 59.164 58.100 -0.055 0.000 1.164 203 Y CB -0.580 37.836 38.460 -0.073 0.000 0.978 203 Y HN 0.109 nan 8.280 nan 0.000 0.513 204 L N -1.417 119.862 121.223 0.094 0.000 2.056 204 L HA -0.233 4.260 4.340 0.255 0.000 0.207 204 L C 2.637 179.512 176.870 0.008 0.000 1.078 204 L CA 1.561 56.405 54.840 0.006 0.000 0.749 204 L CB -0.758 41.294 42.059 -0.012 0.000 0.901 204 L HN 0.335 nan 8.230 nan 0.000 0.433 205 H N -0.233 118.808 119.070 -0.047 0.000 2.387 205 H HA -0.146 4.559 4.556 0.247 0.000 0.299 205 H C 1.981 177.286 175.328 -0.037 0.000 1.099 205 H CA 1.790 57.813 56.048 -0.042 0.000 1.315 205 H CB 0.362 30.096 29.762 -0.048 0.000 1.380 205 H HN 0.243 nan 8.280 nan 0.000 0.513 206 S N -1.000 114.761 115.700 0.102 0.000 2.603 206 S HA 0.129 4.752 4.470 0.255 0.000 0.220 206 S C 1.332 175.916 174.600 -0.026 0.000 0.967 206 S CA 0.624 58.858 58.200 0.056 0.000 0.920 206 S CB 0.231 63.493 63.200 0.103 0.000 0.773 206 S HN 0.811 nan 8.310 nan 0.000 0.529 207 G N 1.851 110.603 108.800 -0.081 0.000 2.136 207 G HA2 -0.213 3.900 3.960 0.255 0.000 0.242 207 G HA3 -0.213 3.900 3.960 0.255 0.000 0.242 207 G C 0.250 175.050 174.900 -0.167 0.000 0.989 207 G CA 0.339 45.343 45.100 -0.159 0.000 0.682 207 G HN 0.485 nan 8.290 nan 0.000 0.522 208 D N -0.410 119.937 120.400 -0.088 0.000 2.348 208 D HA 0.206 4.999 4.640 0.255 0.000 0.211 208 D C 1.597 177.788 176.300 -0.180 0.000 0.998 208 D CA 1.296 55.234 54.000 -0.104 0.000 0.873 208 D CB 0.147 40.920 40.800 -0.043 0.000 0.925 208 D HN 0.885 nan 8.370 nan 0.000 0.524 209 C N -2.330 116.833 119.300 -0.228 0.000 3.332 209 C HA 0.488 5.101 4.460 0.255 0.000 0.329 209 C C 0.517 175.297 174.990 -0.350 0.000 1.434 209 C CA -1.005 57.881 59.018 -0.220 0.000 1.314 209 C CB 0.290 27.970 27.740 -0.099 0.000 1.664 209 C HN 0.096 nan 8.230 nan 0.000 0.457 210 Y N 0.137 120.432 120.300 -0.008 0.000 2.498 210 Y HA 0.409 5.111 4.550 0.253 0.000 0.259 210 Y C 1.039 176.938 175.900 -0.001 0.000 1.086 210 Y CA 0.550 58.648 58.100 -0.004 0.000 1.287 210 Y CB 0.379 38.835 38.460 -0.007 0.000 1.146 210 Y HN 0.841 nan 8.280 nan 0.000 0.523 211 Q N 0.427 120.314 119.800 0.145 0.000 2.403 211 Q HA 0.571 5.064 4.340 0.255 0.000 0.267 211 Q C -2.353 173.681 176.000 0.056 0.000 0.991 211 Q CA -0.537 55.319 55.803 0.090 0.000 0.906 211 Q CB 2.151 30.944 28.738 0.091 0.000 1.422 211 Q HN -0.098 nan 8.270 nan 0.000 0.400 212 V N 3.280 123.218 119.914 0.040 0.000 2.577 212 V HA 0.377 4.650 4.120 0.255 0.000 0.303 212 V C -0.689 175.440 176.094 0.058 0.000 1.042 212 V CA -0.923 61.399 62.300 0.037 0.000 0.872 212 V CB 1.865 33.700 31.823 0.020 0.000 0.998 212 V HN 0.802 nan 8.190 nan 0.000 0.423 213 N N 3.881 122.621 118.700 0.067 0.000 2.439 213 N HA 0.344 5.238 4.740 0.255 0.000 0.243 213 N C -0.936 174.642 175.510 0.114 0.000 1.088 213 N CA -0.225 52.882 53.050 0.095 0.000 0.940 213 N CB 0.750 39.282 38.487 0.075 0.000 1.180 213 N HN 0.628 nan 8.380 nan 0.000 0.505 214 L N 3.322 124.629 121.223 0.141 0.000 2.282 214 L HA 0.806 5.299 4.340 0.255 0.000 0.288 214 L C -0.604 176.372 176.870 0.177 0.000 1.033 214 L CA -0.495 54.429 54.840 0.140 0.000 0.807 214 L CB 0.992 43.127 42.059 0.126 0.000 1.209 214 L HN 0.560 nan 8.230 nan 0.000 0.423 215 A N 5.206 128.082 122.820 0.093 0.000 2.380 215 A HA 0.771 5.244 4.320 0.255 0.000 0.315 215 A C -1.014 176.482 177.584 -0.147 0.000 1.101 215 A CA -0.659 51.359 52.037 -0.032 0.000 0.771 215 A CB 1.323 20.178 19.000 -0.242 0.000 1.287 215 A HN 0.787 nan 8.150 nan 0.000 0.436 216 Q N 0.692 120.318 119.800 -0.290 0.000 2.306 216 Q HA 0.727 5.220 4.340 0.255 0.000 0.269 216 Q C -0.550 175.074 176.000 -0.627 0.000 1.053 216 Q CA -0.950 54.625 55.803 -0.380 0.000 0.879 216 Q CB 1.646 30.149 28.738 -0.391 0.000 1.344 216 Q HN 0.671 nan 8.270 nan 0.000 0.464 217 R N 0.929 121.078 120.500 -0.586 0.000 2.437 217 R HA 0.418 4.911 4.340 0.255 0.000 0.310 217 R C -1.546 174.451 176.300 -0.505 0.000 0.955 217 R CA -0.508 55.283 56.100 -0.516 0.000 0.851 217 R CB 0.903 31.057 30.300 -0.245 0.000 1.161 217 R HN 0.545 nan 8.270 nan 0.000 0.446 218 F N 3.394 123.275 119.950 -0.114 0.000 2.384 218 F HA 0.327 5.006 4.527 0.253 0.000 0.338 218 F C 0.758 176.757 175.800 0.331 0.000 1.103 218 F CA -0.024 57.987 58.000 0.019 0.000 1.157 218 F CB 1.007 39.818 39.000 -0.315 0.000 1.167 218 F HN 0.408 nan 8.300 nan 0.000 0.529 219 H N 1.392 120.773 119.070 0.519 0.000 2.851 219 H HA 0.842 5.551 4.556 0.255 0.000 0.372 219 H C -1.758 173.647 175.328 0.129 0.000 1.158 219 H CA -0.740 55.432 56.048 0.208 0.000 1.159 219 H CB 1.949 31.684 29.762 -0.046 0.000 1.757 219 H HN 0.799 nan 8.280 nan 0.000 0.546 220 A N 2.207 124.497 122.820 -0.883 0.000 2.581 220 A HA 0.557 5.031 4.320 0.255 0.000 0.290 220 A C -0.768 176.274 177.584 -0.903 0.000 1.119 220 A CA -0.278 51.189 52.037 -0.950 0.000 0.670 220 A CB 1.249 19.440 19.000 -1.349 0.000 1.280 220 A HN 0.750 nan 8.150 nan 0.000 0.425 221 T N -1.250 112.959 114.554 -0.576 0.000 2.950 221 T HA 0.833 5.336 4.350 0.255 0.000 0.288 221 T C -0.584 173.960 174.700 -0.260 0.000 1.035 221 T CA -0.259 61.615 62.100 -0.376 0.000 1.028 221 T CB 1.326 70.024 68.868 -0.284 0.000 1.109 221 T HN 1.816 nan 8.240 nan 0.000 0.514 222 Y N -1.542 118.576 120.300 -0.303 0.000 2.656 222 Y HA 0.760 5.464 4.550 0.255 0.000 0.334 222 Y C -0.948 174.763 175.900 -0.314 0.000 1.179 222 Y CA -1.220 56.635 58.100 -0.409 0.000 1.050 222 Y CB 0.924 39.061 38.460 -0.537 0.000 1.308 222 Y HN 1.024 nan 8.280 nan 0.000 0.456 223 S N 0.616 116.104 115.700 -0.352 0.000 2.627 223 S HA 0.985 5.608 4.470 0.255 0.000 0.283 223 S C -0.155 174.411 174.600 -0.057 0.000 1.127 223 S CA -0.424 57.621 58.200 -0.259 0.000 0.863 223 S CB 1.370 64.456 63.200 -0.190 0.000 1.121 223 S HN 2.592 nan 8.310 nan 0.000 0.479 224 G N 0.655 109.513 108.800 0.097 0.000 2.525 224 G HA2 0.119 4.232 3.960 0.255 0.000 0.685 224 G HA3 0.119 4.232 3.960 0.255 0.000 0.685 224 G C -1.417 173.753 174.900 0.449 0.000 1.290 224 G CA -0.376 44.852 45.100 0.213 0.000 0.915 224 G HN 1.004 nan 8.290 nan 0.000 0.548 225 D N 0.235 120.907 120.400 0.453 0.000 2.336 225 D HA 0.469 5.262 4.640 0.255 0.000 0.249 225 D C 1.548 178.153 176.300 0.508 0.000 1.213 225 D CA -0.252 54.040 54.000 0.488 0.000 0.870 225 D CB 1.020 42.082 40.800 0.437 0.000 1.076 225 D HN 0.397 nan 8.370 nan 0.000 0.483 226 E N 3.049 123.543 120.200 0.490 0.000 2.265 226 E HA -0.127 4.376 4.350 0.255 0.000 0.196 226 E C 1.525 178.372 176.600 0.412 0.000 0.996 226 E CA 0.541 57.158 56.400 0.362 0.000 0.832 226 E CB -0.154 29.749 29.700 0.339 0.000 0.756 226 E HN 0.674 nan 8.360 nan 0.000 0.491 227 W N 1.278 122.662 121.300 0.140 0.000 2.350 227 W HA -0.247 4.567 4.660 0.256 0.000 0.289 227 W C 1.207 177.748 176.519 0.035 0.000 1.215 227 W CA 1.063 58.325 57.345 -0.137 0.000 1.236 227 W CB 0.149 29.444 29.460 -0.275 0.000 1.130 227 W HN 0.114 nan 8.180 nan 0.000 0.541 228 Q N 0.437 120.265 119.800 0.047 0.000 2.119 228 Q HA -0.132 4.362 4.340 0.255 0.000 0.201 228 Q C 2.480 178.361 176.000 -0.197 0.000 0.972 228 Q CA 1.777 57.531 55.803 -0.082 0.000 0.847 228 Q CB -1.042 27.769 28.738 0.121 0.000 0.903 228 Q HN 0.379 nan 8.270 nan 0.000 0.433 229 A N 0.362 122.982 122.820 -0.333 0.000 1.908 229 A HA -0.194 4.279 4.320 0.255 0.000 0.218 229 A C 1.957 179.350 177.584 -0.319 0.000 1.181 229 A CA 1.342 53.009 52.037 -0.617 0.000 0.627 229 A CB -0.870 17.292 19.000 -1.398 0.000 0.818 229 A HN 0.363 nan 8.150 nan 0.000 0.445 230 F N 0.610 120.368 119.950 -0.320 0.000 2.134 230 F HA -0.133 4.547 4.527 0.255 0.000 0.299 230 F C 1.928 177.455 175.800 -0.454 0.000 1.097 230 F CA 1.620 59.453 58.000 -0.278 0.000 1.264 230 F CB -0.268 38.643 39.000 -0.148 0.000 1.001 230 F HN 0.143 nan 8.300 nan 0.000 0.479 231 L N -0.215 120.656 121.223 -0.587 0.000 2.043 231 L HA -0.295 4.199 4.340 0.255 0.000 0.212 231 L C 2.479 179.095 176.870 -0.424 0.000 1.075 231 L CA 1.778 56.271 54.840 -0.580 0.000 0.752 231 L CB -0.872 40.879 42.059 -0.513 0.000 0.891 231 L HN 0.241 nan 8.230 nan 0.000 0.432 232 Q N -0.349 119.251 119.800 -0.334 0.000 2.079 232 Q HA -0.146 4.348 4.340 0.255 0.000 0.200 232 Q C 2.352 178.186 176.000 -0.276 0.000 0.974 232 Q CA 1.217 56.876 55.803 -0.241 0.000 0.840 232 Q CB -0.084 28.556 28.738 -0.164 0.000 0.898 232 Q HN 0.455 nan 8.270 nan 0.000 0.430 233 L N 0.557 121.574 121.223 -0.344 0.000 2.056 233 L HA -0.191 4.302 4.340 0.255 0.000 0.207 233 L C 2.203 178.841 176.870 -0.386 0.000 1.078 233 L CA 0.899 55.550 54.840 -0.315 0.000 0.749 233 L CB -0.472 41.413 42.059 -0.290 0.000 0.901 233 L HN 0.271 nan 8.230 nan 0.000 0.433 234 N N 0.092 118.387 118.700 -0.674 0.000 2.104 234 N HA -0.271 4.622 4.740 0.255 0.000 0.190 234 N C 1.843 177.183 175.510 -0.283 0.000 1.024 234 N CA 1.622 54.293 53.050 -0.632 0.000 0.853 234 N CB -0.124 37.740 38.487 -1.038 0.000 1.008 234 N HN 0.386 nan 8.380 nan 0.000 0.424 235 Q N -0.028 119.630 119.800 -0.237 0.000 1.985 235 Q HA -0.215 4.278 4.340 0.255 0.000 0.207 235 Q C 1.908 177.852 176.000 -0.093 0.000 0.996 235 Q CA 2.407 58.135 55.803 -0.125 0.000 0.851 235 Q CB -0.491 28.163 28.738 -0.141 0.000 0.921 235 Q HN 0.406 nan 8.270 nan 0.000 0.418 236 A N 0.540 123.294 122.820 -0.111 0.000 1.917 236 A HA -0.252 4.222 4.320 0.255 0.000 0.219 236 A C 1.642 179.190 177.584 -0.059 0.000 1.182 236 A CA 2.137 54.126 52.037 -0.080 0.000 0.633 236 A CB -0.672 18.275 19.000 -0.088 0.000 0.819 236 A HN 0.652 nan 8.150 nan 0.000 0.448 237 N N -1.471 117.184 118.700 -0.075 0.000 2.432 237 N HA 0.055 4.948 4.740 0.255 0.000 0.174 237 N C -0.109 175.401 175.510 -0.001 0.000 1.037 237 N CA 0.444 53.472 53.050 -0.036 0.000 0.892 237 N CB 0.016 38.476 38.487 -0.046 0.000 1.049 237 N HN 0.390 nan 8.380 nan 0.000 0.442 238 R N -0.178 120.323 120.500 0.002 0.000 3.322 238 R HA -0.178 4.316 4.340 0.255 0.000 0.253 238 R C -0.807 175.537 176.300 0.072 0.000 0.987 238 R CA 0.545 56.679 56.100 0.057 0.000 0.666 238 R CB -2.677 27.663 30.300 0.068 0.000 1.072 238 R HN 0.234 nan 8.270 nan 0.000 0.447 239 A N 1.120 123.982 122.820 0.069 0.000 2.328 239 A HA 0.516 4.989 4.320 0.255 0.000 0.284 239 A C -1.179 176.471 177.584 0.111 0.000 1.160 239 A CA -1.567 50.541 52.037 0.118 0.000 0.818 239 A CB 0.655 19.726 19.000 0.119 0.000 1.087 239 A HN -0.008 nan 8.150 nan 0.000 0.504 240 P HA -0.020 nan 4.420 nan 0.000 0.230 240 P C -0.034 177.026 177.300 -0.401 0.000 1.158 240 P CA 1.186 64.235 63.100 -0.085 0.000 0.769 240 P CB 0.005 31.737 31.700 0.053 0.000 0.807 241 F N -0.912 119.135 119.950 0.162 0.000 2.879 241 F HA 0.248 4.928 4.527 0.256 0.000 0.354 241 F C 0.760 176.648 175.800 0.147 0.000 1.291 241 F CA -0.361 57.726 58.000 0.145 0.000 1.238 241 F CB 0.026 39.093 39.000 0.112 0.000 1.005 241 F HN -0.320 nan 8.300 nan 0.000 0.508 242 S N 1.115 116.950 115.700 0.225 0.000 2.614 242 S HA 0.818 5.441 4.470 0.255 0.000 0.265 242 S C 0.139 174.914 174.600 0.292 0.000 1.303 242 S CA -0.354 58.016 58.200 0.283 0.000 1.000 242 S CB 1.425 64.815 63.200 0.316 0.000 0.935 242 S HN 0.358 nan 8.310 nan 0.000 0.551 243 A N 0.999 124.004 122.820 0.309 0.000 2.604 243 A HA 0.718 5.191 4.320 0.255 0.000 0.295 243 A C -1.824 175.718 177.584 -0.070 0.000 1.067 243 A CA -0.621 51.486 52.037 0.115 0.000 0.683 243 A CB 1.038 20.077 19.000 0.065 0.000 1.281 243 A HN 0.666 nan 8.150 nan 0.000 0.407 244 F N 1.875 121.555 119.950 -0.449 0.000 2.507 244 F HA 0.713 5.393 4.527 0.256 0.000 0.328 244 F C -1.393 174.253 175.800 -0.257 0.000 1.136 244 F CA -0.800 56.890 58.000 -0.518 0.000 0.930 244 F CB 1.254 39.761 39.000 -0.821 0.000 1.166 244 F HN 0.470 nan 8.300 nan 0.000 0.436 245 L N 6.187 127.149 121.223 -0.435 0.000 2.305 245 L HA 0.536 5.029 4.340 0.255 0.000 0.284 245 L C -0.512 176.220 176.870 -0.230 0.000 1.013 245 L CA -1.108 53.613 54.840 -0.199 0.000 0.819 245 L CB 1.675 43.626 42.059 -0.179 0.000 1.227 245 L HN 0.508 nan 8.230 nan 0.000 0.417 246 R N 4.151 124.675 120.500 0.040 0.000 2.198 246 R HA 0.591 5.084 4.340 0.255 0.000 0.339 246 R C -1.187 175.017 176.300 -0.161 0.000 1.020 246 R CA -0.031 56.068 56.100 -0.002 0.000 0.864 246 R CB 0.206 30.605 30.300 0.166 0.000 1.105 246 R HN 0.569 nan 8.270 nan 0.000 0.463 247 L N 2.981 124.058 121.223 -0.243 0.000 2.397 247 L HA 0.416 4.909 4.340 0.255 0.000 0.266 247 L C 1.302 177.960 176.870 -0.353 0.000 1.040 247 L CA -0.835 53.738 54.840 -0.445 0.000 0.800 247 L CB 1.098 42.928 42.059 -0.383 0.000 1.324 247 L HN 0.670 nan 8.230 nan 0.000 0.469 248 E N -0.307 119.626 120.200 -0.444 0.000 2.204 248 E HA -0.211 4.292 4.350 0.255 0.000 0.195 248 E C 1.289 177.855 176.600 -0.056 0.000 0.990 248 E CA 1.221 57.514 56.400 -0.178 0.000 0.821 248 E CB 0.147 29.809 29.700 -0.063 0.000 0.750 248 E HN 0.480 nan 8.360 nan 0.000 0.477 249 Q N -0.959 118.805 119.800 -0.059 0.000 2.356 249 Q HA 0.255 4.748 4.340 0.255 0.000 0.205 249 Q C 0.325 176.351 176.000 0.043 0.000 0.901 249 Q CA 0.404 56.225 55.803 0.030 0.000 0.938 249 Q CB 1.883 30.673 28.738 0.087 0.000 1.081 249 Q HN 0.194 nan 8.270 nan 0.000 0.517 250 G N -0.877 107.926 108.800 0.006 0.000 2.317 250 G HA2 0.570 4.684 3.960 0.255 0.000 0.293 250 G HA3 0.570 4.684 3.960 0.255 0.000 0.293 250 G C -1.828 173.053 174.900 -0.031 0.000 1.287 250 G CA -0.410 44.720 45.100 0.050 0.000 0.850 250 G HN 0.088 nan 8.290 nan 0.000 0.515 251 A N -0.301 122.498 122.820 -0.035 0.000 2.330 251 A HA 0.778 5.251 4.320 0.255 0.000 0.327 251 A C -0.538 176.895 177.584 -0.250 0.000 1.155 251 A CA -0.595 51.310 52.037 -0.219 0.000 0.803 251 A CB 0.871 19.733 19.000 -0.229 0.000 1.208 251 A HN 0.702 nan 8.150 nan 0.000 0.477 252 I N 2.662 123.000 120.570 -0.386 0.000 2.354 252 I HA 0.302 4.625 4.170 0.255 0.000 0.292 252 I C -1.008 174.931 176.117 -0.297 0.000 0.989 252 I CA -0.549 60.617 61.300 -0.223 0.000 1.188 252 I CB 1.212 39.125 38.000 -0.144 0.000 1.342 252 I HN 0.412 nan 8.210 nan 0.000 0.457 253 L N 5.427 126.599 121.223 -0.085 0.000 2.313 253 L HA 0.293 4.787 4.340 0.255 0.000 0.273 253 L C 0.432 177.430 176.870 0.212 0.000 1.028 253 L CA 0.128 55.027 54.840 0.099 0.000 0.871 253 L CB 1.122 43.305 42.059 0.207 0.000 1.242 253 L HN 0.521 nan 8.230 nan 0.000 0.434 254 S N 3.514 119.364 115.700 0.250 0.000 2.442 254 S HA 0.540 5.163 4.470 0.255 0.000 0.297 254 S C 0.287 175.054 174.600 0.278 0.000 1.131 254 S CA -0.553 57.782 58.200 0.225 0.000 1.092 254 S CB 0.520 63.819 63.200 0.164 0.000 0.998 254 S HN 0.427 nan 8.310 nan 0.000 0.478 255 L N 4.145 125.476 121.223 0.180 0.000 3.062 255 L HA 0.324 4.817 4.340 0.255 0.000 0.255 255 L C 0.957 177.902 176.870 0.125 0.000 1.274 255 L CA 0.009 54.919 54.840 0.118 0.000 1.047 255 L CB -0.633 41.446 42.059 0.033 0.000 1.402 255 L HN 0.621 nan 8.230 nan 0.000 0.550 256 S N 3.102 118.896 115.700 0.157 0.000 2.533 256 S HA 0.217 4.840 4.470 0.255 0.000 0.282 256 S C -1.300 173.436 174.600 0.227 0.000 1.304 256 S CA -0.551 57.742 58.200 0.155 0.000 1.063 256 S CB 0.843 64.131 63.200 0.146 0.000 0.881 256 S HN 0.185 nan 8.310 nan 0.000 0.493 257 P HA 0.268 nan 4.420 nan 0.000 0.268 257 P C -0.630 176.844 177.300 0.289 0.000 1.329 257 P CA 0.088 63.349 63.100 0.270 0.000 0.899 257 P CB 0.303 32.106 31.700 0.171 0.000 1.378 258 E N 0.964 121.241 120.200 0.128 0.000 2.176 258 E HA 0.246 4.749 4.350 0.255 0.000 0.267 258 E C -0.078 176.240 176.600 -0.469 0.000 0.893 258 E CA -0.762 55.580 56.400 -0.098 0.000 0.761 258 E CB 2.320 31.949 29.700 -0.118 0.000 1.133 258 E HN 0.115 nan 8.360 nan 0.000 0.409 259 R N 2.537 122.507 120.500 -0.883 0.000 2.641 259 R HA 0.118 4.611 4.340 0.255 0.000 0.269 259 R C 0.038 176.121 176.300 -0.361 0.000 1.074 259 R CA -0.207 55.249 56.100 -1.074 0.000 1.133 259 R CB 0.360 30.024 30.300 -1.060 0.000 1.029 259 R HN 0.399 nan 8.270 nan 0.000 0.488 260 F N 3.591 123.298 119.950 -0.405 0.000 2.324 260 F HA 0.408 5.088 4.527 0.256 0.000 0.260 260 F C 0.179 175.848 175.800 -0.218 0.000 1.073 260 F CA 0.269 58.120 58.000 -0.248 0.000 1.073 260 F CB 0.220 39.120 39.000 -0.167 0.000 1.114 260 F HN 0.347 nan 8.300 nan 0.000 0.588 261 I N 1.698 122.066 120.570 -0.337 0.000 2.571 261 I HA 0.258 4.581 4.170 0.255 0.000 0.289 261 I C -1.595 174.363 176.117 -0.266 0.000 1.115 261 I CA -0.924 60.114 61.300 -0.438 0.000 1.045 261 I CB 2.370 39.973 38.000 -0.662 0.000 1.238 261 I HN 0.020 nan 8.210 nan 0.000 0.424 262 L N 6.746 127.849 121.223 -0.199 0.000 2.309 262 L HA 0.613 5.106 4.340 0.255 0.000 0.282 262 L C -0.914 175.883 176.870 -0.121 0.000 1.036 262 L CA 0.038 54.807 54.840 -0.119 0.000 0.806 262 L CB 1.431 43.468 42.059 -0.036 0.000 1.220 262 L HN 0.784 nan 8.230 nan 0.000 0.429 263 C N 4.915 124.156 119.300 -0.097 0.000 2.478 263 C HA 0.587 5.200 4.460 0.255 0.000 0.334 263 C C -1.285 173.678 174.990 -0.045 0.000 1.106 263 C CA -0.601 58.369 59.018 -0.080 0.000 1.363 263 C CB -0.012 27.676 27.740 -0.087 0.000 1.941 263 C HN 0.851 nan 8.230 nan 0.000 0.436 264 D N 4.509 124.872 120.400 -0.062 0.000 2.505 264 D HA 0.243 5.036 4.640 0.255 0.000 0.250 264 D C 0.201 176.388 176.300 -0.188 0.000 1.164 264 D CA 0.115 54.063 54.000 -0.086 0.000 0.870 264 D CB 0.635 41.430 40.800 -0.008 0.000 1.160 264 D HN 0.675 nan 8.370 nan 0.000 0.549 265 N N 3.007 121.447 118.700 -0.432 0.000 2.725 265 N HA -0.287 4.606 4.740 0.255 0.000 0.251 265 N C -0.218 175.174 175.510 -0.198 0.000 1.031 265 N CA 1.334 54.066 53.050 -0.531 0.000 0.720 265 N CB -1.239 37.019 38.487 -0.381 0.000 0.930 265 N HN 0.395 nan 8.380 nan 0.000 0.543 266 S N -2.200 113.422 115.700 -0.129 0.000 2.929 266 S HA -0.303 4.320 4.470 0.255 0.000 0.271 266 S C -0.034 174.525 174.600 -0.069 0.000 1.295 266 S CA 1.338 59.497 58.200 -0.069 0.000 1.277 266 S CB -0.989 62.185 63.200 -0.043 0.000 1.557 266 S HN 0.830 nan 8.310 nan 0.000 0.666 267 E N 0.791 120.945 120.200 -0.077 0.000 2.146 267 E HA 0.530 5.033 4.350 0.255 0.000 0.282 267 E C -0.264 176.295 176.600 -0.067 0.000 0.989 267 E CA -0.504 55.859 56.400 -0.062 0.000 0.799 267 E CB 0.558 30.229 29.700 -0.048 0.000 1.088 267 E HN 0.441 nan 8.360 nan 0.000 0.397 268 I N 3.969 124.494 120.570 -0.075 0.000 2.396 268 I HA 0.211 4.534 4.170 0.255 0.000 0.292 268 I C 0.190 176.252 176.117 -0.092 0.000 0.999 268 I CA -0.267 60.976 61.300 -0.096 0.000 1.310 268 I CB 1.292 39.224 38.000 -0.113 0.000 1.404 268 I HN 0.512 nan 8.210 nan 0.000 0.496 269 Q N 3.375 123.112 119.800 -0.105 0.000 2.416 269 Q HA 0.434 4.927 4.340 0.255 0.000 0.281 269 Q C -0.273 175.642 176.000 -0.141 0.000 1.067 269 Q CA -0.780 54.964 55.803 -0.099 0.000 0.809 269 Q CB 2.721 31.421 28.738 -0.062 0.000 1.418 269 Q HN 0.806 nan 8.270 nan 0.000 0.411 270 T N -1.932 112.538 114.554 -0.140 0.000 2.636 270 T HA 0.332 4.835 4.350 0.255 0.000 0.199 270 T C 0.352 174.954 174.700 -0.163 0.000 0.770 270 T CA -0.543 61.456 62.100 -0.168 0.000 1.712 270 T CB -0.075 68.704 68.868 -0.149 0.000 3.035 270 T HN 0.428 nan 8.240 nan 0.000 0.396 271 R N 2.774 123.183 120.500 -0.151 0.000 2.449 271 R HA 0.268 4.761 4.340 0.255 0.000 0.296 271 R C -2.558 173.626 176.300 -0.195 0.000 1.047 271 R CA -1.588 54.403 56.100 -0.182 0.000 1.018 271 R CB 0.014 30.234 30.300 -0.134 0.000 0.962 271 R HN 0.360 nan 8.270 nan 0.000 0.428 272 P HA -0.059 nan 4.420 nan 0.000 0.265 272 P C -0.375 176.820 177.300 -0.175 0.000 1.193 272 P CA 0.273 63.203 63.100 -0.284 0.000 0.765 272 P CB 0.441 31.703 31.700 -0.730 0.000 0.823 273 I N 4.745 125.270 120.570 -0.075 0.000 2.587 273 I HA 0.029 4.352 4.170 0.255 0.000 0.284 273 I C 0.523 176.635 176.117 -0.008 0.000 1.134 273 I CA 1.195 62.478 61.300 -0.028 0.000 1.410 273 I CB -0.232 37.772 38.000 0.007 0.000 1.392 273 I HN 0.499 nan 8.210 nan 0.000 0.545 300 R N 0.467 120.966 120.500 -0.001 0.000 2.869 300 R HA 0.882 5.376 4.340 0.255 0.000 0.263 300 R C -0.804 175.495 176.300 -0.001 0.000 1.066 300 R CA -1.081 55.019 56.100 -0.000 0.000 0.960 300 R CB 1.620 31.920 30.300 0.001 0.000 1.221 300 R HN 0.240 nan 8.270 nan 0.000 0.474 301 A N 1.521 124.341 122.820 -0.001 0.000 2.511 301 A HA 0.249 4.722 4.320 0.255 0.000 0.340 301 A C -0.243 177.340 177.584 -0.001 0.000 1.396 301 A CA -0.422 51.614 52.037 -0.002 0.000 0.887 301 A CB 0.306 19.306 19.000 -0.000 0.000 1.145 301 A HN 0.473 nan 8.150 nan 0.000 0.497 302 E N 2.071 122.269 120.200 -0.004 0.000 2.415 302 E HA -0.035 4.468 4.350 0.255 0.000 0.260 302 E C 1.149 177.746 176.600 -0.005 0.000 1.016 302 E CA 0.168 56.565 56.400 -0.005 0.000 0.924 302 E CB 0.355 30.049 29.700 -0.010 0.000 0.961 302 E HN 0.682 nan 8.360 nan 0.000 0.459 303 N N 5.191 123.890 118.700 -0.001 0.000 2.416 303 N HA -0.074 4.819 4.740 0.255 0.000 0.177 303 N C 0.245 175.754 175.510 -0.002 0.000 1.036 303 N CA 0.358 53.408 53.050 0.001 0.000 0.901 303 N CB 0.016 38.507 38.487 0.006 0.000 0.976 303 N HN 0.315 nan 8.380 nan 0.000 0.444 304 L N 0.922 122.142 121.223 -0.006 0.000 2.325 304 L HA 0.431 4.925 4.340 0.255 0.000 0.279 304 L C -0.021 176.832 176.870 -0.029 0.000 1.054 304 L CA -0.451 54.381 54.840 -0.013 0.000 0.804 304 L CB 1.816 43.870 42.059 -0.009 0.000 1.200 304 L HN 0.041 nan 8.230 nan 0.000 0.436 305 M N 4.721 124.295 119.600 -0.044 0.000 2.125 305 M HA 0.512 5.146 4.480 0.255 0.000 0.321 305 M C -1.355 174.898 176.300 -0.078 0.000 0.983 305 M CA -0.399 54.859 55.300 -0.070 0.000 0.934 305 M CB 1.260 33.804 32.600 -0.094 0.000 1.542 305 M HN 0.470 nan 8.290 nan 0.000 0.424 306 I N 5.530 126.055 120.570 -0.074 0.000 2.339 306 I HA 0.433 4.756 4.170 0.255 0.000 0.290 306 I C -0.855 175.211 176.117 -0.085 0.000 0.994 306 I CA -0.832 60.425 61.300 -0.071 0.000 1.191 306 I CB 1.652 39.616 38.000 -0.060 0.000 1.343 306 I HN 0.355 nan 8.210 nan 0.000 0.458 307 V N 5.138 124.998 119.914 -0.090 0.000 2.495 307 V HA 0.292 4.565 4.120 0.255 0.000 0.298 307 V C -0.328 175.723 176.094 -0.072 0.000 1.031 307 V CA -0.636 61.606 62.300 -0.096 0.000 0.871 307 V CB 2.133 33.878 31.823 -0.130 0.000 0.988 307 V HN 0.650 nan 8.190 nan 0.000 0.432 308 D N 3.666 124.025 120.400 -0.068 0.000 2.232 308 D HA 0.264 5.058 4.640 0.255 0.000 0.242 308 D C 0.802 177.071 176.300 -0.051 0.000 1.093 308 D CA -0.274 53.691 54.000 -0.057 0.000 0.845 308 D CB 1.877 42.640 40.800 -0.061 0.000 1.124 308 D HN 0.455 nan 8.370 nan 0.000 0.467 309 L N 3.273 124.473 121.223 -0.038 0.000 2.633 309 L HA -0.013 4.480 4.340 0.255 0.000 0.235 309 L C 1.912 178.769 176.870 -0.022 0.000 1.163 309 L CA 0.590 55.414 54.840 -0.027 0.000 0.859 309 L CB -0.044 42.005 42.059 -0.015 0.000 0.973 309 L HN 0.458 nan 8.230 nan 0.000 0.451 310 M N -1.948 117.634 119.600 -0.030 0.000 2.308 310 M HA 0.061 4.694 4.480 0.255 0.000 0.269 310 M C 1.873 178.141 176.300 -0.054 0.000 1.040 310 M CA -0.029 55.252 55.300 -0.032 0.000 1.024 310 M CB 0.451 33.029 32.600 -0.037 0.000 1.465 310 M HN 0.004 nan 8.290 nan 0.000 0.517 311 R N 2.022 122.488 120.500 -0.056 0.000 2.091 311 R HA -0.128 4.365 4.340 0.255 0.000 0.238 311 R C 1.686 177.950 176.300 -0.059 0.000 1.136 311 R CA 2.010 58.072 56.100 -0.063 0.000 0.959 311 R CB -0.743 29.520 30.300 -0.063 0.000 0.856 311 R HN 0.407 nan 8.270 nan 0.000 0.437 312 N N -0.203 118.467 118.700 -0.050 0.000 2.188 312 N HA -0.148 4.746 4.740 0.255 0.000 0.184 312 N C 0.620 176.103 175.510 -0.046 0.000 1.018 312 N CA 1.550 54.573 53.050 -0.044 0.000 0.858 312 N CB -0.137 38.329 38.487 -0.035 0.000 0.989 312 N HN 0.247 nan 8.380 nan 0.000 0.426 313 D N 1.077 121.450 120.400 -0.046 0.000 2.097 313 D HA -0.100 4.693 4.640 0.255 0.000 0.195 313 D C 2.056 178.310 176.300 -0.076 0.000 0.989 313 D CA 0.601 54.570 54.000 -0.053 0.000 0.827 313 D CB -0.146 40.627 40.800 -0.044 0.000 0.966 313 D HN 0.303 nan 8.370 nan 0.000 0.456 314 I N 0.796 121.313 120.570 -0.089 0.000 2.252 314 I HA -0.099 4.224 4.170 0.255 0.000 0.245 314 I C 2.478 178.545 176.117 -0.084 0.000 1.102 314 I CA 1.023 62.260 61.300 -0.105 0.000 1.385 314 I CB -1.544 36.389 38.000 -0.112 0.000 1.064 314 I HN -0.021 nan 8.210 nan 0.000 0.414 315 G N 0.554 109.312 108.800 -0.071 0.000 2.509 315 G HA2 -0.208 3.905 3.960 0.255 0.000 0.218 315 G HA3 -0.208 3.905 3.960 0.255 0.000 0.218 315 G C 1.809 176.676 174.900 -0.055 0.000 1.124 315 G CA 0.080 45.144 45.100 -0.060 0.000 0.776 315 G HN 0.344 nan 8.290 nan 0.000 0.547 316 R N -0.403 120.064 120.500 -0.056 0.000 2.276 316 R HA 0.082 4.575 4.340 0.255 0.000 0.203 316 R C 1.874 178.139 176.300 -0.058 0.000 1.017 316 R CA 1.050 57.120 56.100 -0.051 0.000 1.010 316 R CB 0.156 30.428 30.300 -0.046 0.000 0.900 316 R HN 0.492 nan 8.270 nan 0.000 0.469 317 V N -4.676 115.196 119.914 -0.069 0.000 3.497 317 V HA 0.417 4.690 4.120 0.255 0.000 0.272 317 V C 0.788 176.839 176.094 -0.072 0.000 1.474 317 V CA -0.201 62.055 62.300 -0.073 0.000 1.025 317 V CB 0.221 31.991 31.823 -0.089 0.000 0.820 317 V HN 0.044 nan 8.190 nan 0.000 0.437 318 A N 0.928 123.705 122.820 -0.072 0.000 2.327 318 A HA 0.611 5.085 4.320 0.255 0.000 0.255 318 A C 0.300 177.850 177.584 -0.057 0.000 1.099 318 A CA -0.093 51.903 52.037 -0.068 0.000 0.801 318 A CB 0.455 19.414 19.000 -0.069 0.000 1.062 318 A HN 0.393 nan 8.150 nan 0.000 0.496 319 V N 1.154 121.036 119.914 -0.053 0.000 2.599 319 V HA 0.288 4.561 4.120 0.255 0.000 0.300 319 V C 1.179 177.248 176.094 -0.041 0.000 1.034 319 V CA 0.283 62.556 62.300 -0.045 0.000 1.115 319 V CB 0.303 32.102 31.823 -0.041 0.000 0.934 319 V HN 1.085 nan 8.190 nan 0.000 0.485 320 A N 4.490 127.288 122.820 -0.037 0.000 2.520 320 A HA 0.494 4.967 4.320 0.255 0.000 0.245 320 A C 1.551 179.116 177.584 -0.032 0.000 1.072 320 A CA 0.507 52.524 52.037 -0.034 0.000 0.761 320 A CB -0.415 18.567 19.000 -0.030 0.000 1.004 320 A HN 2.185 nan 8.150 nan 0.000 0.499 321 G N 1.161 109.941 108.800 -0.033 0.000 2.179 321 G HA2 -0.283 3.831 3.960 0.255 0.000 0.260 321 G HA3 -0.283 3.831 3.960 0.255 0.000 0.260 321 G C 1.143 176.023 174.900 -0.033 0.000 0.977 321 G CA 1.267 46.349 45.100 -0.031 0.000 0.641 321 G HN 2.115 nan 8.290 nan 0.000 0.533 322 S N -0.981 114.697 115.700 -0.037 0.000 2.548 322 S HA 0.464 5.087 4.470 0.255 0.000 0.215 322 S C 0.952 175.527 174.600 -0.042 0.000 0.976 322 S CA 0.620 58.797 58.200 -0.038 0.000 0.908 322 S CB 0.516 63.692 63.200 -0.041 0.000 0.781 322 S HN 0.870 nan 8.310 nan 0.000 0.519 323 V N 2.841 122.728 119.914 -0.046 0.000 2.521 323 V HA 0.388 4.662 4.120 0.255 0.000 0.286 323 V C -0.216 175.849 176.094 -0.048 0.000 1.034 323 V CA -0.074 62.196 62.300 -0.051 0.000 1.045 323 V CB 0.420 32.210 31.823 -0.055 0.000 0.974 323 V HN 0.243 nan 8.190 nan 0.000 0.480 324 K N 3.790 124.160 120.400 -0.049 0.000 2.316 324 K HA 0.795 5.268 4.320 0.255 0.000 0.251 324 K C -0.778 175.790 176.600 -0.053 0.000 0.934 324 K CA -0.584 55.675 56.287 -0.046 0.000 0.802 324 K CB 2.129 34.607 32.500 -0.038 0.000 1.171 324 K HN 0.577 nan 8.250 nan 0.000 0.426 325 V N -0.877 119.002 119.914 -0.059 0.000 3.007 325 V HA 0.795 5.068 4.120 0.255 0.000 0.311 325 V C -2.456 173.592 176.094 -0.077 0.000 1.120 325 V CA -2.073 60.186 62.300 -0.069 0.000 0.980 325 V CB 1.775 33.552 31.823 -0.076 0.000 1.033 325 V HN 0.677 nan 8.190 nan 0.000 0.429 326 P HA 0.315 nan 4.420 nan 0.000 0.278 326 P C -0.648 176.538 177.300 -0.190 0.000 1.258 326 P CA -0.274 62.761 63.100 -0.109 0.000 0.811 326 P CB 0.934 32.583 31.700 -0.086 0.000 1.063 327 E N 1.646 121.695 120.200 -0.251 0.000 2.328 327 E HA 0.205 4.708 4.350 0.255 0.000 0.265 327 E C -0.902 175.189 176.600 -0.849 0.000 1.057 327 E CA -0.237 55.929 56.400 -0.389 0.000 0.916 327 E CB -0.230 29.308 29.700 -0.271 0.000 0.993 327 E HN 0.283 nan 8.360 nan 0.000 0.446 328 L N 4.197 125.043 121.223 -0.629 0.000 2.334 328 L HA 0.540 5.033 4.340 0.255 0.000 0.270 328 L C -0.619 175.887 176.870 -0.608 0.000 1.018 328 L CA -1.262 53.131 54.840 -0.746 0.000 0.811 328 L CB 0.846 42.720 42.059 -0.308 0.000 1.271 328 L HN 0.561 nan 8.230 nan 0.000 0.443 329 F N 0.039 119.987 119.950 -0.004 0.000 2.507 329 F HA 0.739 5.419 4.527 0.254 0.000 0.325 329 F C -0.175 175.625 175.800 -0.000 0.000 1.116 329 F CA -1.013 56.986 58.000 -0.001 0.000 0.930 329 F CB 1.067 40.067 39.000 0.001 0.000 1.146 329 F HN -0.034 nan 8.300 nan 0.000 0.447 341 V N -1.912 118.015 119.914 0.021 0.000 3.380 341 V HA 0.405 4.678 4.120 0.255 0.000 0.307 341 V C 0.338 176.438 176.094 0.009 0.000 1.434 341 V CA 0.165 62.487 62.300 0.036 0.000 1.075 341 V CB 0.833 32.694 31.823 0.064 0.000 0.954 341 V HN 0.594 nan 8.190 nan 0.000 0.444 342 S N 0.208 115.900 115.700 -0.013 0.000 2.588 342 S HA 0.467 5.090 4.470 0.255 0.000 0.275 342 S C 1.055 175.625 174.600 -0.050 0.000 1.130 342 S CA 0.467 58.640 58.200 -0.045 0.000 0.855 342 S CB 1.988 65.159 63.200 -0.049 0.000 1.116 342 S HN 0.582 nan 8.310 nan 0.000 0.472 343 T N 1.119 115.634 114.554 -0.066 0.000 2.821 343 T HA 0.221 4.724 4.350 0.255 0.000 0.267 343 T C 0.761 175.420 174.700 -0.069 0.000 1.046 343 T CA 0.936 62.998 62.100 -0.064 0.000 1.139 343 T CB -0.505 68.323 68.868 -0.068 0.000 0.871 343 T HN 0.540 nan 8.240 nan 0.000 0.454 344 I N 1.019 121.543 120.570 -0.076 0.000 2.545 344 I HA 0.427 4.750 4.170 0.255 0.000 0.292 344 I C -0.865 175.206 176.117 -0.076 0.000 1.040 344 I CA -0.810 60.444 61.300 -0.078 0.000 1.068 344 I CB 2.579 40.526 38.000 -0.089 0.000 1.251 344 I HN 0.004 nan 8.210 nan 0.000 0.424 345 T N 4.448 118.963 114.554 -0.065 0.000 2.886 345 T HA 0.859 5.362 4.350 0.255 0.000 0.292 345 T C -0.493 174.170 174.700 -0.060 0.000 1.012 345 T CA -0.533 61.531 62.100 -0.059 0.000 0.982 345 T CB 2.196 71.039 68.868 -0.043 0.000 1.018 345 T HN 0.790 nan 8.240 nan 0.000 0.451 346 A N 2.222 125.004 122.820 -0.064 0.000 2.506 346 A HA 0.831 5.304 4.320 0.255 0.000 0.305 346 A C -1.972 175.576 177.584 -0.060 0.000 1.166 346 A CA -0.799 51.201 52.037 -0.062 0.000 0.638 346 A CB 1.299 20.256 19.000 -0.072 0.000 1.336 346 A HN 0.504 nan 8.150 nan 0.000 0.493 347 Q N 0.046 119.811 119.800 -0.058 0.000 2.356 347 Q HA 0.487 4.980 4.340 0.255 0.000 0.270 347 Q C -1.554 174.409 176.000 -0.061 0.000 1.058 347 Q CA -0.715 55.055 55.803 -0.055 0.000 0.802 347 Q CB 2.113 30.824 28.738 -0.045 0.000 1.303 347 Q HN 0.710 nan 8.270 nan 0.000 0.444 348 L N 4.302 125.487 121.223 -0.063 0.000 2.319 348 L HA 0.385 4.878 4.340 0.255 0.000 0.280 348 L C -2.384 174.447 176.870 -0.065 0.000 1.099 348 L CA -1.127 53.672 54.840 -0.069 0.000 0.828 348 L CB 0.533 42.551 42.059 -0.068 0.000 1.150 348 L HN 0.315 nan 8.230 nan 0.000 0.442 349 P HA 0.027 nan 4.420 nan 0.000 0.266 349 P C 0.105 177.358 177.300 -0.078 0.000 1.195 349 P CA 0.010 63.071 63.100 -0.065 0.000 0.768 349 P CB 0.604 32.265 31.700 -0.065 0.000 0.838 350 E N 2.544 122.705 120.200 -0.065 0.000 2.219 350 E HA -0.285 4.218 4.350 0.255 0.000 0.198 350 E C 0.797 177.330 176.600 -0.112 0.000 0.998 350 E CA 1.769 58.126 56.400 -0.072 0.000 0.818 350 E CB -0.304 29.367 29.700 -0.047 0.000 0.741 350 E HN 0.400 nan 8.360 nan 0.000 0.477 351 Q N -0.051 119.685 119.800 -0.106 0.000 2.360 351 Q HA 0.297 4.791 4.340 0.255 0.000 0.202 351 Q C -0.111 175.771 176.000 -0.197 0.000 0.915 351 Q CA 0.206 55.930 55.803 -0.132 0.000 0.943 351 Q CB 0.337 29.027 28.738 -0.079 0.000 1.064 351 Q HN 0.258 nan 8.270 nan 0.000 0.511 352 L N -0.052 121.047 121.223 -0.206 0.000 2.332 352 L HA 0.474 4.968 4.340 0.255 0.000 0.269 352 L C -0.270 176.390 176.870 -0.351 0.000 1.016 352 L CA -1.046 53.670 54.840 -0.206 0.000 0.809 352 L CB 1.254 43.249 42.059 -0.107 0.000 1.280 352 L HN 0.176 nan 8.230 nan 0.000 0.447 353 H N -0.695 118.354 119.070 -0.034 0.000 2.595 353 H HA 0.329 5.038 4.556 0.255 0.000 0.346 353 H C 0.691 175.987 175.328 -0.054 0.000 1.181 353 H CA -0.025 56.007 56.048 -0.027 0.000 1.242 353 H CB 1.746 31.497 29.762 -0.019 0.000 1.652 353 H HN 0.721 nan 8.280 nan 0.000 0.548 354 A N 0.844 123.716 122.820 0.087 0.000 1.948 354 A HA -0.258 4.215 4.320 0.255 0.000 0.220 354 A C 2.279 179.825 177.584 -0.062 0.000 1.177 354 A CA 2.269 54.298 52.037 -0.013 0.000 0.636 354 A CB -1.177 17.816 19.000 -0.012 0.000 0.815 354 A HN 0.759 nan 8.150 nan 0.000 0.449 355 S N 0.191 115.882 115.700 -0.016 0.000 2.399 355 S HA -0.198 4.426 4.470 0.255 0.000 0.231 355 S C 1.375 175.896 174.600 -0.132 0.000 1.022 355 S CA 1.392 59.536 58.200 -0.094 0.000 0.983 355 S CB -0.538 62.623 63.200 -0.065 0.000 0.803 355 S HN 0.598 nan 8.310 nan 0.000 0.480 356 D N 1.503 121.864 120.400 -0.064 0.000 2.144 356 D HA -0.024 4.769 4.640 0.255 0.000 0.200 356 D C 1.916 178.127 176.300 -0.149 0.000 0.978 356 D CA 0.982 54.922 54.000 -0.100 0.000 0.833 356 D CB -0.356 40.416 40.800 -0.047 0.000 0.961 356 D HN 0.431 nan 8.370 nan 0.000 0.470 357 L N 0.830 121.970 121.223 -0.139 0.000 2.056 357 L HA -0.075 4.418 4.340 0.255 0.000 0.207 357 L C 2.091 178.832 176.870 -0.215 0.000 1.078 357 L CA 1.186 55.925 54.840 -0.168 0.000 0.749 357 L CB -0.644 41.319 42.059 -0.160 0.000 0.901 357 L HN -0.060 nan 8.230 nan 0.000 0.433 358 L N -0.027 121.053 121.223 -0.238 0.000 2.046 358 L HA -0.186 4.307 4.340 0.255 0.000 0.208 358 L C 2.747 179.493 176.870 -0.207 0.000 1.077 358 L CA 1.922 56.613 54.840 -0.249 0.000 0.747 358 L CB -0.798 41.044 42.059 -0.362 0.000 0.896 358 L HN 0.395 nan 8.230 nan 0.000 0.432 359 R N -0.502 119.786 120.500 -0.354 0.000 2.080 359 R HA -0.186 4.307 4.340 0.255 0.000 0.236 359 R C 2.122 178.209 176.300 -0.354 0.000 1.137 359 R CA 1.612 57.338 56.100 -0.624 0.000 0.943 359 R CB -0.484 29.385 30.300 -0.718 0.000 0.846 359 R HN 0.501 nan 8.270 nan 0.000 0.431 360 A N 0.054 122.738 122.820 -0.226 0.000 2.070 360 A HA -0.028 4.446 4.320 0.255 0.000 0.220 360 A C 1.950 179.500 177.584 -0.057 0.000 1.159 360 A CA 1.598 53.557 52.037 -0.131 0.000 0.656 360 A CB -0.299 18.630 19.000 -0.118 0.000 0.800 360 A HN 0.526 nan 8.150 nan 0.000 0.453 361 A N -2.314 120.493 122.820 -0.022 0.000 2.348 361 A HA 0.515 4.988 4.320 0.255 0.000 0.224 361 A C 0.187 177.923 177.584 0.253 0.000 1.227 361 A CA -0.372 51.697 52.037 0.054 0.000 0.885 361 A CB -0.176 18.765 19.000 -0.097 0.000 0.933 361 A HN 0.348 nan 8.150 nan 0.000 0.506 362 F N 1.927 121.930 119.950 0.089 0.000 2.408 362 F HA 0.534 5.216 4.527 0.258 0.000 0.344 362 F C -2.322 173.523 175.800 0.075 0.000 1.112 362 F CA -2.524 55.563 58.000 0.145 0.000 1.096 362 F CB 1.647 40.741 39.000 0.158 0.000 1.129 362 F HN -0.014 nan 8.300 nan 0.000 0.486 363 P HA 0.238 nan 4.420 nan 0.000 0.278 363 P C -0.559 176.391 177.300 -0.582 0.000 1.266 363 P CA -0.445 61.830 63.100 -1.375 0.000 0.807 363 P CB 0.601 31.562 31.700 -1.231 0.000 1.094 364 G N -0.212 108.211 108.800 -0.628 0.000 2.340 364 G HA2 0.246 4.359 3.960 0.255 0.000 0.245 364 G HA3 0.246 4.359 3.960 0.255 0.000 0.245 364 G C 1.413 176.248 174.900 -0.108 0.000 1.294 364 G CA 0.098 45.054 45.100 -0.240 0.000 0.896 364 G HN 0.572 nan 8.290 nan 0.000 0.522 365 G N 1.311 110.111 108.800 -0.001 0.000 2.469 365 G HA2 -0.257 3.857 3.960 0.255 0.000 0.220 365 G HA3 -0.257 3.857 3.960 0.255 0.000 0.220 365 G C 2.049 176.938 174.900 -0.019 0.000 1.136 365 G CA 1.600 46.695 45.100 -0.009 0.000 0.759 365 G HN 1.056 nan 8.290 nan 0.000 0.562 366 S N 0.441 116.125 115.700 -0.025 0.000 2.561 366 S HA 0.080 4.703 4.470 0.255 0.000 0.225 366 S C 1.646 176.211 174.600 -0.058 0.000 0.977 366 S CA 0.859 59.039 58.200 -0.034 0.000 0.926 366 S CB -0.097 63.084 63.200 -0.031 0.000 0.769 366 S HN 0.535 nan 8.310 nan 0.000 0.533 367 I N 0.047 120.559 120.570 -0.097 0.000 4.009 367 I HA 0.388 4.712 4.170 0.255 0.000 0.331 367 I C 1.032 177.124 176.117 -0.041 0.000 1.462 367 I CA -0.165 61.067 61.300 -0.112 0.000 1.117 367 I CB -0.343 37.498 38.000 -0.265 0.000 1.091 367 I HN 0.289 nan 8.210 nan 0.000 0.410 368 T N -2.241 112.312 114.554 -0.001 0.000 3.397 368 T HA 0.823 5.326 4.350 0.255 0.000 0.233 368 T C 1.043 175.764 174.700 0.036 0.000 0.969 368 T CA 0.460 62.589 62.100 0.048 0.000 1.316 368 T CB 0.047 68.952 68.868 0.061 0.000 1.175 368 T HN 0.716 nan 8.240 nan 0.000 0.381 369 G N 1.010 109.826 108.800 0.026 0.000 2.334 369 G HA2 0.528 4.641 3.960 0.255 0.000 0.249 369 G HA3 0.528 4.641 3.960 0.255 0.000 0.249 369 G C -1.775 173.151 174.900 0.042 0.000 1.327 369 G CA -0.187 44.936 45.100 0.038 0.000 0.979 369 G HN 1.275 nan 8.290 nan 0.000 0.471 370 A N 0.102 122.967 122.820 0.075 0.000 2.459 370 A HA 0.882 5.355 4.320 0.255 0.000 0.296 370 A C -3.159 174.529 177.584 0.173 0.000 1.039 370 A CA -1.161 50.942 52.037 0.110 0.000 0.698 370 A CB 1.961 21.027 19.000 0.110 0.000 1.261 370 A HN 0.513 nan 8.150 nan 0.000 0.405 371 P HA 0.169 nan 4.420 nan 0.000 0.271 371 P C 0.679 177.999 177.300 0.032 0.000 1.216 371 P CA -0.172 62.974 63.100 0.077 0.000 0.776 371 P CB 0.915 32.651 31.700 0.060 0.000 0.881 372 K N 2.039 122.451 120.400 0.021 0.000 2.009 372 K HA -0.141 4.332 4.320 0.255 0.000 0.210 372 K C 1.507 178.106 176.600 -0.001 0.000 1.049 372 K CA 1.762 58.054 56.287 0.008 0.000 0.929 372 K CB -0.569 31.929 32.500 -0.003 0.000 0.714 372 K HN 0.130 nan 8.250 nan 0.000 0.440 373 V N 0.901 120.812 119.914 -0.004 0.000 2.515 373 V HA -0.170 4.103 4.120 0.255 0.000 0.250 373 V C 2.377 178.457 176.094 -0.023 0.000 1.058 373 V CA 1.801 64.094 62.300 -0.011 0.000 1.064 373 V CB -0.536 31.284 31.823 -0.006 0.000 0.675 373 V HN 0.324 nan 8.190 nan 0.000 0.461 374 R N 1.260 121.739 120.500 -0.034 0.000 2.073 374 R HA -0.120 4.373 4.340 0.255 0.000 0.234 374 R C 2.228 178.475 176.300 -0.089 0.000 1.134 374 R CA 1.922 57.979 56.100 -0.073 0.000 0.952 374 R CB -0.961 29.286 30.300 -0.089 0.000 0.850 374 R HN 0.437 nan 8.270 nan 0.000 0.433 375 A N 0.168 122.959 122.820 -0.048 0.000 1.940 375 A HA -0.199 4.274 4.320 0.255 0.000 0.219 375 A C 2.248 179.831 177.584 -0.002 0.000 1.176 375 A CA 1.935 53.954 52.037 -0.030 0.000 0.631 375 A CB -0.527 18.477 19.000 0.007 0.000 0.814 375 A HN 0.427 nan 8.150 nan 0.000 0.446 376 M N -1.175 118.437 119.600 0.020 0.000 2.159 376 M HA -0.170 4.463 4.480 0.255 0.000 0.263 376 M C 2.155 178.483 176.300 0.046 0.000 1.063 376 M CA 1.965 57.308 55.300 0.072 0.000 1.110 376 M CB -0.290 32.340 32.600 0.050 0.000 1.374 376 M HN 0.674 nan 8.290 nan 0.000 0.411 377 E N 1.107 121.300 120.200 -0.011 0.000 2.107 377 E HA -0.149 4.354 4.350 0.255 0.000 0.191 377 E C 1.806 178.377 176.600 -0.049 0.000 0.982 377 E CA 1.035 57.417 56.400 -0.030 0.000 0.809 377 E CB -0.019 29.641 29.700 -0.067 0.000 0.756 377 E HN 0.506 nan 8.360 nan 0.000 0.459 378 I N 0.675 121.186 120.570 -0.099 0.000 2.394 378 I HA -0.218 4.105 4.170 0.255 0.000 0.251 378 I C 2.265 178.383 176.117 0.002 0.000 1.136 378 I CA 0.658 61.901 61.300 -0.094 0.000 1.425 378 I CB -0.106 37.795 38.000 -0.166 0.000 1.079 378 I HN 0.201 nan 8.210 nan 0.000 0.425 379 I N 0.972 121.553 120.570 0.018 0.000 2.208 379 I HA -0.343 3.980 4.170 0.255 0.000 0.245 379 I C 2.190 178.329 176.117 0.038 0.000 1.097 379 I CA 1.870 63.193 61.300 0.038 0.000 1.363 379 I CB -0.293 37.742 38.000 0.058 0.000 1.051 379 I HN 0.265 nan 8.210 nan 0.000 0.413 380 D N 0.471 120.901 120.400 0.051 0.000 2.264 380 D HA -0.200 4.593 4.640 0.255 0.000 0.208 380 D C 2.023 178.344 176.300 0.035 0.000 0.966 380 D CA 1.197 55.228 54.000 0.051 0.000 0.864 380 D CB 0.100 40.939 40.800 0.065 0.000 0.933 380 D HN 0.334 nan 8.370 nan 0.000 0.499 381 E N -0.713 119.507 120.200 0.034 0.000 2.112 381 E HA -0.035 4.468 4.350 0.255 0.000 0.190 381 E C 1.963 178.588 176.600 0.042 0.000 0.979 381 E CA 0.574 56.999 56.400 0.042 0.000 0.814 381 E CB 0.184 29.924 29.700 0.068 0.000 0.762 381 E HN 0.416 nan 8.360 nan 0.000 0.460 382 L N 0.322 121.569 121.223 0.041 0.000 2.408 382 L HA 0.123 4.616 4.340 0.255 0.000 0.215 382 L C 0.589 177.468 176.870 0.015 0.000 1.081 382 L CA 0.197 55.055 54.840 0.030 0.000 0.840 382 L CB 0.110 42.188 42.059 0.030 0.000 1.002 382 L HN -0.078 nan 8.230 nan 0.000 0.468 383 E N 1.744 121.950 120.200 0.009 0.000 2.180 383 E HA 0.071 4.575 4.350 0.255 0.000 0.283 383 E C -1.551 175.041 176.600 -0.013 0.000 1.061 383 E CA -1.782 54.611 56.400 -0.013 0.000 0.861 383 E CB 1.236 30.919 29.700 -0.030 0.000 1.056 383 E HN -0.008 nan 8.360 nan 0.000 0.407 384 P HA -0.186 nan 4.420 nan 0.000 0.216 384 P C -0.198 177.090 177.300 -0.021 0.000 1.153 384 P CA 1.447 64.539 63.100 -0.013 0.000 0.858 384 P CB 0.364 32.056 31.700 -0.013 0.000 0.789 385 Q N -1.772 118.003 119.800 -0.042 0.000 2.416 385 Q HA 0.425 4.918 4.340 0.255 0.000 0.279 385 Q C -0.054 175.920 176.000 -0.042 0.000 1.101 385 Q CA -0.787 54.989 55.803 -0.045 0.000 0.830 385 Q CB 1.128 29.822 28.738 -0.075 0.000 1.402 385 Q HN -0.078 nan 8.270 nan 0.000 0.445 386 R N 0.486 120.973 120.500 -0.022 0.000 2.679 386 R HA 0.114 4.607 4.340 0.255 0.000 0.268 386 R C 0.692 176.985 176.300 -0.012 0.000 1.044 386 R CA 0.154 56.262 56.100 0.013 0.000 1.105 386 R CB 0.424 30.752 30.300 0.047 0.000 0.989 386 R HN 0.495 nan 8.270 nan 0.000 0.447 387 R N 1.327 121.832 120.500 0.007 0.000 2.193 387 R HA -0.126 4.367 4.340 0.255 0.000 0.213 387 R C 1.141 177.502 176.300 0.101 0.000 1.055 387 R CA 0.417 56.521 56.100 0.007 0.000 0.995 387 R CB -0.289 29.887 30.300 -0.207 0.000 0.893 387 R HN 0.769 nan 8.270 nan 0.000 0.459 388 N N -0.548 118.227 118.700 0.125 0.000 1.241 388 N HA -0.363 4.530 4.740 0.255 0.000 0.135 388 N C 0.816 176.422 175.510 0.160 0.000 0.723 388 N CA 1.717 54.835 53.050 0.113 0.000 0.950 388 N CB -1.156 37.349 38.487 0.030 0.000 1.215 388 N HN 0.230 nan 8.380 nan 0.000 0.520 389 A N -0.324 122.573 122.820 0.128 0.000 2.119 389 A HA -0.031 4.442 4.320 0.255 0.000 0.217 389 A C 0.719 178.406 177.584 0.171 0.000 1.153 389 A CA 0.993 53.111 52.037 0.134 0.000 0.692 389 A CB -0.521 18.534 19.000 0.092 0.000 0.799 389 A HN 0.514 nan 8.150 nan 0.000 0.458 390 W N -1.406 119.898 121.300 0.007 0.000 2.266 390 W HA 0.342 5.153 4.660 0.252 0.000 0.317 390 W C 0.527 177.020 176.519 -0.043 0.000 1.310 390 W CA 0.417 57.749 57.345 -0.022 0.000 1.207 390 W CB 0.150 29.576 29.460 -0.057 0.000 1.199 390 W HN 0.343 nan 8.180 nan 0.000 0.544 391 C N 4.424 123.182 119.300 -0.903 0.000 4.392 391 C HA -0.176 4.437 4.460 0.255 0.000 0.280 391 C C 1.469 176.280 174.990 -0.298 0.000 1.381 391 C CA 0.797 59.320 59.018 -0.825 0.000 1.871 391 C CB -2.154 24.940 27.740 -1.078 0.000 1.323 391 C HN 1.023 nan 8.230 nan 0.000 0.772 392 G N -0.679 108.069 108.800 -0.087 0.000 2.975 392 G HA2 0.567 4.681 3.960 0.255 0.000 0.159 392 G HA3 0.567 4.681 3.960 0.255 0.000 0.159 392 G C -0.117 174.788 174.900 0.008 0.000 1.525 392 G CA 0.829 45.998 45.100 0.115 0.000 1.075 392 G HN 1.067 nan 8.290 nan 0.000 0.574 393 S N -1.519 114.327 115.700 0.242 0.000 2.536 393 S HA 0.632 5.255 4.470 0.255 0.000 0.271 393 S C -1.253 173.528 174.600 0.301 0.000 1.134 393 S CA -0.694 57.627 58.200 0.201 0.000 0.897 393 S CB 1.167 64.532 63.200 0.275 0.000 1.094 393 S HN 0.376 nan 8.310 nan 0.000 0.473 394 I N 2.989 123.687 120.570 0.213 0.000 2.530 394 I HA 0.800 5.123 4.170 0.255 0.000 0.297 394 I C 0.706 176.963 176.117 0.234 0.000 1.011 394 I CA -0.299 61.122 61.300 0.201 0.000 1.107 394 I CB 2.077 40.143 38.000 0.110 0.000 1.285 394 I HN 0.892 nan 8.210 nan 0.000 0.436 395 G N 3.943 112.894 108.800 0.251 0.000 2.341 395 G HA2 0.413 4.526 3.960 0.255 0.000 0.299 395 G HA3 0.413 4.526 3.960 0.255 0.000 0.299 395 G C -2.158 172.855 174.900 0.190 0.000 1.274 395 G CA -0.563 44.632 45.100 0.159 0.000 0.853 395 G HN 0.549 nan 8.290 nan 0.000 0.493 396 Y N -1.697 118.653 120.300 0.083 0.000 2.553 396 Y HA 0.861 5.565 4.550 0.256 0.000 0.347 396 Y C -1.305 174.672 175.900 0.128 0.000 1.019 396 Y CA -1.946 56.155 58.100 0.000 0.000 1.032 396 Y CB 1.911 40.190 38.460 -0.301 0.000 1.284 396 Y HN 0.391 nan 8.280 nan 0.000 0.466 397 L N 3.073 124.520 121.223 0.374 0.000 2.366 397 L HA 0.424 4.917 4.340 0.255 0.000 0.266 397 L C 0.250 177.321 176.870 0.334 0.000 1.010 397 L CA -0.218 54.783 54.840 0.268 0.000 0.879 397 L CB 1.035 43.180 42.059 0.144 0.000 1.228 397 L HN 0.843 nan 8.230 nan 0.000 0.439 398 S N 1.476 117.447 115.700 0.452 0.000 2.585 398 S HA 0.216 4.839 4.470 0.255 0.000 0.273 398 S C 1.384 176.011 174.600 0.045 0.000 1.339 398 S CA -0.105 58.221 58.200 0.211 0.000 1.028 398 S CB 0.387 63.734 63.200 0.245 0.000 0.906 398 S HN 0.373 nan 8.310 nan 0.000 0.528 399 F N 1.992 121.920 119.950 -0.037 0.000 2.333 399 F HA -0.050 4.630 4.527 0.256 0.000 0.300 399 F C 2.532 178.307 175.800 -0.042 0.000 1.083 399 F CA 0.664 58.625 58.000 -0.065 0.000 1.395 399 F CB -1.165 37.719 39.000 -0.193 0.000 1.056 399 F HN 0.808 nan 8.300 nan 0.000 0.529 400 C N -1.399 117.987 119.300 0.143 0.000 2.539 400 C HA 0.604 5.217 4.460 0.255 0.000 0.271 400 C C 2.164 177.207 174.990 0.089 0.000 1.412 400 C CA 0.148 59.185 59.018 0.032 0.000 1.729 400 C CB -0.817 26.929 27.740 0.010 0.000 1.739 400 C HN 0.713 nan 8.230 nan 0.000 0.570 401 G N 0.750 109.672 108.800 0.203 0.000 2.259 401 G HA2 -0.203 3.911 3.960 0.255 0.000 0.217 401 G HA3 -0.203 3.911 3.960 0.255 0.000 0.217 401 G C -0.129 174.931 174.900 0.267 0.000 1.001 401 G CA 0.094 45.349 45.100 0.258 0.000 0.627 401 G HN 0.507 nan 8.290 nan 0.000 0.501 402 N N 0.382 119.272 118.700 0.317 0.000 2.347 402 N HA 0.684 5.577 4.740 0.255 0.000 0.253 402 N C 0.210 175.851 175.510 0.218 0.000 1.274 402 N CA 0.473 53.663 53.050 0.232 0.000 0.941 402 N CB 0.795 39.439 38.487 0.262 0.000 1.200 402 N HN 0.657 nan 8.380 nan 0.000 0.514 403 M N 0.106 119.749 119.600 0.072 0.000 2.470 403 M HA 0.366 4.999 4.480 0.255 0.000 0.285 403 M C -2.114 173.969 176.300 -0.362 0.000 1.213 403 M CA -0.612 54.598 55.300 -0.150 0.000 0.901 403 M CB 2.271 34.796 32.600 -0.124 0.000 1.718 403 M HN 0.329 nan 8.290 nan 0.000 0.469 404 D N 1.645 121.541 120.400 -0.840 0.000 2.857 404 D HA 0.739 5.532 4.640 0.255 0.000 0.227 404 D C -1.729 174.347 176.300 -0.374 0.000 1.192 404 D CA 0.386 54.079 54.000 -0.511 0.000 0.857 404 D CB 2.520 43.140 40.800 -0.300 0.000 1.645 404 D HN 0.798 nan 8.370 nan 0.000 0.482 405 T N -0.983 113.494 114.554 -0.129 0.000 2.894 405 T HA 0.720 5.224 4.350 0.255 0.000 0.309 405 T C -0.376 174.347 174.700 0.037 0.000 1.208 405 T CA -0.849 61.261 62.100 0.017 0.000 1.016 405 T CB 1.183 70.120 68.868 0.115 0.000 1.192 405 T HN 0.297 nan 8.240 nan 0.000 0.491 406 S N 0.710 116.466 115.700 0.093 0.000 2.718 406 S HA 0.797 5.420 4.470 0.255 0.000 0.300 406 S C -0.374 174.202 174.600 -0.040 0.000 1.117 406 S CA -1.130 57.067 58.200 -0.004 0.000 1.002 406 S CB 0.645 63.915 63.200 0.117 0.000 1.092 406 S HN 0.772 nan 8.310 nan 0.000 0.542 407 I N 1.928 122.411 120.570 -0.144 0.000 2.321 407 I HA 0.226 4.549 4.170 0.255 0.000 0.291 407 I C 0.388 176.374 176.117 -0.219 0.000 0.998 407 I CA -0.535 60.594 61.300 -0.285 0.000 1.227 407 I CB 1.623 39.433 38.000 -0.318 0.000 1.368 407 I HN 0.855 nan 8.210 nan 0.000 0.466 408 T N 5.193 119.604 114.554 -0.239 0.000 4.098 408 T HA 0.399 4.903 4.350 0.255 0.000 0.291 408 T C 0.208 174.676 174.700 -0.387 0.000 1.440 408 T CA -0.648 61.341 62.100 -0.186 0.000 1.164 408 T CB -1.120 67.695 68.868 -0.088 0.000 1.313 408 T HN 0.444 nan 8.240 nan 0.000 0.951 409 I N -1.976 118.394 120.570 -0.333 0.000 3.021 409 I HA 0.631 4.954 4.170 0.255 0.000 0.303 409 I C 0.613 176.770 176.117 0.067 0.000 1.044 409 I CA -1.353 59.804 61.300 -0.238 0.000 1.266 409 I CB 0.361 38.289 38.000 -0.121 0.000 1.447 409 I HN 0.094 nan 8.210 nan 0.000 0.593 410 R N 0.502 121.152 120.500 0.250 0.000 3.322 410 R HA -0.136 4.357 4.340 0.255 0.000 0.253 410 R C -0.925 175.486 176.300 0.186 0.000 0.987 410 R CA 0.665 56.879 56.100 0.190 0.000 0.666 410 R CB -2.716 27.650 30.300 0.111 0.000 1.072 410 R HN 0.892 nan 8.270 nan 0.000 0.447 411 T N 0.453 115.177 114.554 0.283 0.000 2.841 411 T HA 0.653 5.157 4.350 0.255 0.000 0.285 411 T C -0.035 174.826 174.700 0.268 0.000 0.991 411 T CA -0.731 61.515 62.100 0.243 0.000 0.966 411 T CB 1.512 70.501 68.868 0.203 0.000 0.962 411 T HN 0.024 nan 8.240 nan 0.000 0.438 412 L N 2.513 123.853 121.223 0.194 0.000 2.334 412 L HA 0.624 5.117 4.340 0.255 0.000 0.275 412 L C 0.623 177.607 176.870 0.190 0.000 1.036 412 L CA -0.430 54.531 54.840 0.201 0.000 0.807 412 L CB 1.359 43.520 42.059 0.169 0.000 1.231 412 L HN 0.539 nan 8.230 nan 0.000 0.438 413 T N 1.790 116.504 114.554 0.266 0.000 2.786 413 T HA 0.733 5.236 4.350 0.255 0.000 0.283 413 T C -0.440 174.464 174.700 0.340 0.000 0.992 413 T CA -0.543 61.709 62.100 0.254 0.000 0.954 413 T CB 1.397 70.416 68.868 0.252 0.000 0.934 413 T HN 0.661 nan 8.240 nan 0.000 0.440 414 A N 4.582 127.539 122.820 0.228 0.000 2.291 414 A HA 0.818 5.292 4.320 0.255 0.000 0.311 414 A C -0.577 177.209 177.584 0.337 0.000 1.224 414 A CA -0.659 51.538 52.037 0.267 0.000 0.821 414 A CB 0.341 19.373 19.000 0.054 0.000 1.172 414 A HN 0.839 nan 8.150 nan 0.000 0.494 415 I N 2.780 123.611 120.570 0.435 0.000 2.571 415 I HA 0.239 4.562 4.170 0.255 0.000 0.286 415 I C -0.649 175.630 176.117 0.269 0.000 1.134 415 I CA -0.672 60.823 61.300 0.326 0.000 1.052 415 I CB 1.881 40.061 38.000 0.299 0.000 1.237 415 I HN 0.744 nan 8.210 nan 0.000 0.435 416 N N 4.125 122.929 118.700 0.173 0.000 2.783 416 N HA -0.164 4.729 4.740 0.255 0.000 0.247 416 N C 1.003 176.496 175.510 -0.028 0.000 1.089 416 N CA 1.199 54.298 53.050 0.081 0.000 0.690 416 N CB -1.239 37.310 38.487 0.103 0.000 0.991 416 N HN 1.191 nan 8.380 nan 0.000 0.552 417 G N -0.915 107.750 108.800 -0.224 0.000 2.225 417 G HA2 -0.362 3.751 3.960 0.255 0.000 0.272 417 G HA3 -0.362 3.751 3.960 0.255 0.000 0.272 417 G C -0.085 174.620 174.900 -0.325 0.000 0.996 417 G CA 0.992 45.673 45.100 -0.699 0.000 0.710 417 G HN 0.560 nan 8.290 nan 0.000 0.522 418 Q N -0.456 119.388 119.800 0.073 0.000 2.293 418 Q HA 0.711 5.204 4.340 0.255 0.000 0.261 418 Q C -0.063 176.046 176.000 0.181 0.000 0.960 418 Q CA -0.653 55.192 55.803 0.071 0.000 0.882 418 Q CB 2.577 31.454 28.738 0.233 0.000 1.275 418 Q HN 0.550 nan 8.270 nan 0.000 0.445 419 I N 1.962 122.473 120.570 -0.099 0.000 2.545 419 I HA 0.556 4.879 4.170 0.255 0.000 0.292 419 I C -1.603 174.465 176.117 -0.081 0.000 1.040 419 I CA -0.999 60.349 61.300 0.080 0.000 1.068 419 I CB 1.207 39.290 38.000 0.139 0.000 1.251 419 I HN 0.392 nan 8.210 nan 0.000 0.424 420 F N 5.996 126.156 119.950 0.350 0.000 2.546 420 F HA 0.604 5.284 4.527 0.254 0.000 0.320 420 F C -0.306 175.616 175.800 0.203 0.000 1.076 420 F CA -0.787 57.407 58.000 0.324 0.000 0.928 420 F CB 1.757 40.882 39.000 0.208 0.000 1.189 420 F HN 0.363 nan 8.300 nan 0.000 0.465 421 C N 2.029 121.486 119.300 0.261 0.000 2.505 421 C HA 0.751 5.364 4.460 0.255 0.000 0.342 421 C C -0.627 174.272 174.990 -0.151 0.000 1.121 421 C CA -0.260 58.771 59.018 0.022 0.000 1.306 421 C CB -0.041 27.608 27.740 -0.152 0.000 1.897 421 C HN 0.852 nan 8.230 nan 0.000 0.446 422 S N 2.656 118.060 115.700 -0.494 0.000 2.722 422 S HA 0.964 5.588 4.470 0.255 0.000 0.292 422 S C -0.324 173.842 174.600 -0.723 0.000 1.135 422 S CA -0.335 57.278 58.200 -0.979 0.000 1.003 422 S CB 1.702 63.685 63.200 -2.029 0.000 1.067 422 S HN 1.378 nan 8.310 nan 0.000 0.546 423 A N 0.391 122.837 122.820 -0.623 0.000 2.513 423 A HA 0.771 5.244 4.320 0.255 0.000 0.296 423 A C -0.336 177.180 177.584 -0.114 0.000 1.052 423 A CA -0.380 51.561 52.037 -0.160 0.000 0.714 423 A CB 1.185 20.128 19.000 -0.094 0.000 1.279 423 A HN 1.006 nan 8.150 nan 0.000 0.397 424 G N -0.358 108.542 108.800 0.166 0.000 2.798 424 G HA2 0.883 4.996 3.960 0.255 0.000 0.286 424 G HA3 0.883 4.996 3.960 0.255 0.000 0.286 424 G C -0.329 174.678 174.900 0.178 0.000 1.389 424 G CA -0.385 44.832 45.100 0.196 0.000 0.894 424 G HN 1.702 nan 8.290 nan 0.000 0.488 425 G N -1.550 107.368 108.800 0.197 0.000 2.753 425 G HA2 0.608 4.721 3.960 0.255 0.000 0.297 425 G HA3 0.608 4.721 3.960 0.255 0.000 0.297 425 G C -0.228 174.780 174.900 0.181 0.000 1.430 425 G CA 0.133 45.342 45.100 0.181 0.000 1.040 425 G HN 1.072 nan 8.290 nan 0.000 0.530 426 G N 0.803 109.686 108.800 0.138 0.000 2.367 426 G HA2 0.458 4.571 3.960 0.255 0.000 0.280 426 G HA3 0.458 4.571 3.960 0.255 0.000 0.280 426 G C 0.117 175.094 174.900 0.129 0.000 1.175 426 G CA -0.235 44.933 45.100 0.112 0.000 1.001 426 G HN 0.642 nan 8.290 nan 0.000 0.437 427 I N 2.734 123.371 120.570 0.111 0.000 2.342 427 I HA 0.301 4.624 4.170 0.255 0.000 0.291 427 I C 0.579 176.720 176.117 0.040 0.000 1.010 427 I CA -0.495 60.856 61.300 0.085 0.000 1.308 427 I CB 1.387 39.367 38.000 -0.032 0.000 1.400 427 I HN 0.338 nan 8.210 nan 0.000 0.488 428 V N 2.922 122.872 119.914 0.060 0.000 0.000 428 V HA 0.648 4.921 4.120 0.255 0.000 0.000 428 V C 0.971 177.091 176.094 0.043 0.000 0.000 428 V CA -0.415 61.919 62.300 0.057 0.000 0.000 428 V CB 1.186 33.058 31.823 0.081 0.000 0.000 428 V HN 0.739 nan 8.190 nan 0.000 0.000 429 A N -0.580 122.273 122.820 0.054 0.000 1.978 429 A HA -0.130 4.343 4.320 0.255 0.000 0.220 429 A C 1.390 179.015 177.584 0.068 0.000 1.170 429 A CA 2.148 54.213 52.037 0.047 0.000 0.636 429 A CB -0.748 18.285 19.000 0.055 0.000 0.810 429 A HN 0.946 nan 8.150 nan 0.000 0.448 430 D N -0.136 120.315 120.400 0.085 0.000 2.368 430 D HA 0.159 4.952 4.640 0.255 0.000 0.218 430 D C 0.026 176.410 176.300 0.140 0.000 1.112 430 D CA 0.061 54.121 54.000 0.101 0.000 0.834 430 D CB 0.298 41.147 40.800 0.082 0.000 0.953 430 D HN 0.259 nan 8.370 nan 0.000 0.505 431 S N 1.154 116.959 115.700 0.175 0.000 2.589 431 S HA 0.135 4.758 4.470 0.255 0.000 0.265 431 S C 0.407 175.238 174.600 0.384 0.000 1.342 431 S CA -0.241 58.125 58.200 0.278 0.000 1.005 431 S CB 1.044 64.457 63.200 0.355 0.000 0.909 431 S HN 0.079 nan 8.310 nan 0.000 0.555 432 Q N 1.180 121.156 119.800 0.293 0.000 2.337 432 Q HA 0.310 4.803 4.340 0.255 0.000 0.266 432 Q C 0.828 176.714 176.000 -0.190 0.000 1.023 432 Q CA -0.499 55.383 55.803 0.132 0.000 0.829 432 Q CB 1.395 30.172 28.738 0.065 0.000 1.306 432 Q HN 0.852 nan 8.270 nan 0.000 0.449 433 E N 1.734 121.586 120.200 -0.581 0.000 2.049 433 E HA -0.300 4.203 4.350 0.255 0.000 0.198 433 E C 1.037 177.389 176.600 -0.413 0.000 1.007 433 E CA 1.932 57.626 56.400 -1.177 0.000 0.809 433 E CB 0.387 29.667 29.700 -0.700 0.000 0.749 433 E HN 0.615 nan 8.360 nan 0.000 0.450 434 E N 0.293 120.378 120.200 -0.191 0.000 2.072 434 E HA -0.102 4.401 4.350 0.255 0.000 0.190 434 E C 1.759 178.366 176.600 0.012 0.000 0.982 434 E CA 1.450 57.816 56.400 -0.057 0.000 0.803 434 E CB -0.379 29.290 29.700 -0.051 0.000 0.755 434 E HN 0.321 nan 8.360 nan 0.000 0.453 435 A N 0.484 123.300 122.820 -0.005 0.000 1.940 435 A HA -0.248 4.225 4.320 0.255 0.000 0.219 435 A C 2.202 179.823 177.584 0.061 0.000 1.176 435 A CA 2.024 54.080 52.037 0.031 0.000 0.631 435 A CB -0.749 18.275 19.000 0.039 0.000 0.814 435 A HN 0.371 nan 8.150 nan 0.000 0.446 436 E N -1.471 118.772 120.200 0.072 0.000 2.072 436 E HA -0.170 4.333 4.350 0.255 0.000 0.190 436 E C 1.772 178.436 176.600 0.105 0.000 0.982 436 E CA 1.320 57.819 56.400 0.163 0.000 0.803 436 E CB -0.483 29.402 29.700 0.309 0.000 0.755 436 E HN 0.628 nan 8.360 nan 0.000 0.453 437 Y N 1.245 121.464 120.300 -0.136 0.000 2.081 437 Y HA -0.276 4.425 4.550 0.251 0.000 0.280 437 Y C 2.096 177.954 175.900 -0.071 0.000 1.163 437 Y CA 2.238 60.092 58.100 -0.410 0.000 1.135 437 Y CB -0.246 38.012 38.460 -0.336 0.000 0.970 437 Y HN 0.105 nan 8.280 nan 0.000 0.498 438 Q N 0.178 120.013 119.800 0.057 0.000 2.170 438 Q HA -0.219 4.274 4.340 0.255 0.000 0.203 438 Q C 2.221 178.244 176.000 0.037 0.000 0.976 438 Q CA 1.626 57.435 55.803 0.010 0.000 0.858 438 Q CB -0.464 28.282 28.738 0.014 0.000 0.907 438 Q HN 0.666 nan 8.270 nan 0.000 0.433 439 E N 0.701 120.924 120.200 0.039 0.000 2.110 439 E HA -0.168 4.336 4.350 0.255 0.000 0.193 439 E C 1.856 178.476 176.600 0.034 0.000 0.988 439 E CA 1.873 58.302 56.400 0.048 0.000 0.804 439 E CB 0.158 29.901 29.700 0.071 0.000 0.745 439 E HN 0.491 nan 8.360 nan 0.000 0.458 440 T N -1.110 113.436 114.554 -0.013 0.000 2.684 440 T HA -0.187 4.316 4.350 0.255 0.000 0.267 440 T C 1.859 176.508 174.700 -0.085 0.000 1.036 440 T CA 1.468 63.522 62.100 -0.077 0.000 1.148 440 T CB -0.858 67.875 68.868 -0.225 0.000 0.863 440 T HN 0.098 nan 8.240 nan 0.000 0.436 441 F N 2.535 122.377 119.950 -0.180 0.000 2.134 441 F HA -0.012 4.665 4.527 0.249 0.000 0.299 441 F C 2.428 178.134 175.800 -0.158 0.000 1.097 441 F CA 1.526 59.421 58.000 -0.175 0.000 1.264 441 F CB -0.519 38.341 39.000 -0.233 0.000 1.001 441 F HN 0.145 nan 8.300 nan 0.000 0.479 442 D N 0.022 120.476 120.400 0.089 0.000 2.218 442 D HA -0.154 4.640 4.640 0.255 0.000 0.204 442 D C 2.026 178.329 176.300 0.004 0.000 0.976 442 D CA 1.042 55.059 54.000 0.028 0.000 0.853 442 D CB -0.351 40.466 40.800 0.028 0.000 0.939 442 D HN 0.271 nan 8.370 nan 0.000 0.481 443 K N 0.028 120.431 120.400 0.005 0.000 2.148 443 K HA -0.069 4.404 4.320 0.255 0.000 0.204 443 K C 1.686 178.274 176.600 -0.019 0.000 1.050 443 K CA 0.863 57.156 56.287 0.011 0.000 0.942 443 K CB 0.393 32.917 32.500 0.040 0.000 0.724 443 K HN 0.168 nan 8.250 nan 0.000 0.446 444 V N -3.424 116.440 119.914 -0.083 0.000 3.398 444 V HA 0.204 4.478 4.120 0.255 0.000 0.298 444 V C 1.025 176.984 176.094 -0.224 0.000 1.496 444 V CA -0.316 61.900 62.300 -0.139 0.000 1.044 444 V CB 0.203 31.921 31.823 -0.176 0.000 0.880 444 V HN 0.031 nan 8.190 nan 0.000 0.443 445 N N 2.543 121.131 118.700 -0.187 0.000 2.137 445 N HA -0.203 4.691 4.740 0.255 0.000 0.190 445 N C 1.987 177.405 175.510 -0.152 0.000 1.017 445 N CA 2.093 55.029 53.050 -0.190 0.000 0.859 445 N CB -0.398 38.041 38.487 -0.080 0.000 1.002 445 N HN 0.692 nan 8.380 nan 0.000 0.428 446 R N 0.902 121.339 120.500 -0.104 0.000 2.081 446 R HA -0.067 4.426 4.340 0.255 0.000 0.235 446 R C 2.081 178.329 176.300 -0.086 0.000 1.131 446 R CA 1.018 57.073 56.100 -0.075 0.000 0.960 446 R CB -0.605 29.665 30.300 -0.050 0.000 0.856 446 R HN 0.228 nan 8.270 nan 0.000 0.436 447 I N 1.339 121.840 120.570 -0.116 0.000 2.202 447 I HA -0.289 4.034 4.170 0.255 0.000 0.242 447 I C 2.383 178.427 176.117 -0.122 0.000 1.091 447 I CA 1.163 62.398 61.300 -0.109 0.000 1.368 447 I CB -0.168 37.765 38.000 -0.112 0.000 1.058 447 I HN 0.132 nan 8.210 nan 0.000 0.410 448 L N 0.041 121.089 121.223 -0.291 0.000 2.017 448 L HA -0.225 4.268 4.340 0.255 0.000 0.208 448 L C 2.481 179.379 176.870 0.047 0.000 1.073 448 L CA 1.479 56.107 54.840 -0.354 0.000 0.745 448 L CB -0.677 40.761 42.059 -1.036 0.000 0.894 448 L HN 0.094 nan 8.230 nan 0.000 0.432 449 K N -0.284 120.094 120.400 -0.037 0.000 2.097 449 K HA -0.209 4.264 4.320 0.255 0.000 0.205 449 K C 2.180 178.819 176.600 0.065 0.000 1.050 449 K CA 0.956 57.269 56.287 0.045 0.000 0.938 449 K CB -0.122 32.376 32.500 -0.004 0.000 0.718 449 K HN 0.075 nan 8.250 nan 0.000 0.442 450 Q N 1.065 120.882 119.800 0.029 0.000 2.112 450 Q HA -0.120 4.373 4.340 0.255 0.000 0.206 450 Q C 1.467 177.521 176.000 0.090 0.000 0.987 450 Q CA 1.676 57.498 55.803 0.031 0.000 0.858 450 Q CB -0.289 28.441 28.738 -0.013 0.000 0.905 450 Q HN 0.367 nan 8.270 nan 0.000 0.420 451 L N 0.170 121.496 121.223 0.172 0.000 2.622 451 L HA -0.038 4.456 4.340 0.255 0.000 0.233 451 L C 1.964 178.968 176.870 0.223 0.000 1.156 451 L CA 0.457 55.441 54.840 0.241 0.000 0.866 451 L CB -0.216 42.078 42.059 0.391 0.000 0.980 451 L HN 0.312 nan 8.230 nan 0.000 0.448 452 E N -0.079 120.233 120.200 0.187 0.000 2.021 452 E HA 0.015 4.518 4.350 0.255 0.000 0.189 452 E C 0.430 177.071 176.600 0.067 0.000 0.980 452 E CA 0.880 57.350 56.400 0.117 0.000 0.803 452 E CB 0.456 30.230 29.700 0.124 0.000 0.766 452 E HN 0.272 nan 8.360 nan 0.000 0.449 453 K N 0.000 120.437 120.400 0.062 0.000 2.780 453 K HA 0.000 4.473 4.320 0.255 0.000 0.191 453 K CA 0.000 56.311 56.287 0.040 0.000 0.838 453 K CB 0.000 32.516 32.500 0.027 0.000 1.064 453 K HN 0.000 nan 8.250 nan 0.000 0.543