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 1p3d_1_A DATA FIRST_RESID 11 DATA SEQUENCE IIPEXRRVQQ IHFIGIGGAG XSGIAEILLN EGYQISGSDI ADGVVTQRLA DATA SEQUENCE QAGAKIYIGH AEEHIEGASV VVVSSAIKDD NPELVTSKQK RIPVIQRAQX DATA SEQUENCE LAEIXRFRHG IAVAGTHGKT TTTAXISXIY TQAKLDPTFV NGGLVKSAGK DATA SEQUENCE NAHLGASRYL IAEADESDAS FLHLQPXVSV VTNXEPDHXD TYEGDFEKXK DATA SEQUENCE ATYVKFLHNL PFYGLAVXCA DDPVLXELVP KVGRQVITYG FSEQADYRIE DATA SEQUENCE DYEQTGFQGH YTVICPNNER INVLLNVPGK HNALNATAAL AVAKEEGIAN DATA SEQUENCE EAILEALADF QGAGRRFDQL GEFIRPNGKV RLVDDYGHHP TEVGVTIKAA DATA SEQUENCE REGWGDKRIV XIFQPHRYSR TRDLFDDFVQ VLSQVDALIX LDVYAAGEAP DATA SEQUENCE IVGADSKSLC RSIRNLGKVD PILVSDTSQL GDVLDQIIQD GDLILAQGAG DATA SEQUENCE SVSKISRGLA ESW 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 11 I HA 0.000 nan 4.170 nan 0.000 0.288 11 I C 0.000 176.087 176.117 -0.051 0.000 1.063 11 I CA 0.000 61.280 61.300 -0.033 0.000 1.566 11 I CB 0.000 37.983 38.000 -0.029 0.000 1.214 12 I N 3.084 123.624 120.570 -0.050 0.000 2.556 12 I HA 0.284 4.455 4.170 0.002 0.000 0.284 12 I C -1.774 174.312 176.117 -0.052 0.000 1.114 12 I CA -1.337 59.910 61.300 -0.088 0.000 1.418 12 I CB -0.685 37.273 38.000 -0.071 0.000 1.394 12 I HN 0.540 nan 8.210 nan 0.000 0.552 13 P HA 0.047 nan 4.420 nan 0.000 0.267 13 P C 0.085 177.401 177.300 0.027 0.000 1.201 13 P CA -0.079 63.003 63.100 -0.029 0.000 0.775 13 P CB 0.902 32.581 31.700 -0.035 0.000 0.854 17 R N 0.299 120.839 120.500 0.068 0.000 4.000 17 R HA -0.163 4.178 4.340 0.002 0.000 0.362 17 R C -0.562 175.783 176.300 0.075 0.000 1.183 17 R CA 1.204 57.340 56.100 0.059 0.000 1.011 17 R CB -1.616 28.707 30.300 0.039 0.000 1.501 17 R HN 0.203 nan 8.270 nan 0.000 0.553 18 V N 1.501 121.486 119.914 0.118 0.000 2.339 18 V HA 0.047 4.168 4.120 0.002 0.000 0.261 18 V C 1.290 177.522 176.094 0.230 0.000 1.058 18 V CA 0.268 62.651 62.300 0.138 0.000 0.897 18 V CB 1.325 33.208 31.823 0.100 0.000 1.052 18 V HN 0.255 nan 8.190 nan 0.000 0.480 19 Q N 2.593 122.486 119.800 0.156 0.000 2.274 19 Q HA 0.170 4.512 4.340 0.002 0.000 0.198 19 Q C 0.842 176.951 176.000 0.182 0.000 0.955 19 Q CA 0.484 56.379 55.803 0.154 0.000 0.859 19 Q CB 0.701 29.493 28.738 0.089 0.000 0.956 19 Q HN 0.748 nan 8.270 nan 0.000 0.516 20 Q N 0.670 120.550 119.800 0.133 0.000 2.337 20 Q HA 0.469 4.810 4.340 0.002 0.000 0.270 20 Q C -1.621 174.432 176.000 0.088 0.000 1.043 20 Q CA -0.338 55.544 55.803 0.131 0.000 0.794 20 Q CB 1.532 30.340 28.738 0.116 0.000 1.281 20 Q HN 0.158 nan 8.270 nan 0.000 0.446 21 I N 3.093 123.718 120.570 0.092 0.000 2.362 21 I HA 0.277 4.448 4.170 0.002 0.000 0.289 21 I C -0.695 175.449 176.117 0.045 0.000 0.994 21 I CA -0.769 60.513 61.300 -0.030 0.000 1.158 21 I CB 1.348 39.272 38.000 -0.126 0.000 1.315 21 I HN 0.617 nan 8.210 nan 0.000 0.451 22 H N 6.272 125.262 119.070 -0.134 0.000 2.459 22 H HA 0.533 5.090 4.556 0.002 0.000 0.332 22 H C -1.576 173.653 175.328 -0.166 0.000 1.094 22 H CA -0.408 55.635 56.048 -0.009 0.000 1.224 22 H CB 0.932 30.715 29.762 0.036 0.000 1.449 22 H HN 0.331 nan 8.280 nan 0.000 0.484 23 F N 5.701 125.366 119.950 -0.474 0.000 2.402 23 F HA 0.330 4.859 4.527 0.002 0.000 0.355 23 F C -0.196 175.400 175.800 -0.340 0.000 1.123 23 F CA -0.765 57.063 58.000 -0.286 0.000 1.021 23 F CB 0.997 39.898 39.000 -0.166 0.000 1.160 23 F HN 0.406 nan 8.300 nan 0.000 0.451 24 I N 3.614 124.182 120.570 -0.004 0.000 2.291 24 I HA 0.409 4.580 4.170 0.002 0.000 0.292 24 I C 0.740 176.932 176.117 0.125 0.000 1.064 24 I CA -0.218 61.132 61.300 0.084 0.000 1.269 24 I CB 0.437 38.470 38.000 0.054 0.000 1.418 24 I HN 0.907 nan 8.210 nan 0.000 0.485 25 G N 5.075 113.988 108.800 0.189 0.000 2.215 25 G HA2 -0.220 3.741 3.960 0.002 0.000 0.198 25 G HA3 -0.220 3.741 3.960 0.002 0.000 0.198 25 G C 0.514 175.474 174.900 0.100 0.000 1.047 25 G CA -0.132 45.061 45.100 0.155 0.000 0.747 25 G HN 0.717 nan 8.290 nan 0.000 0.495 26 I N 0.153 120.766 120.570 0.073 0.000 2.567 26 I HA 0.042 4.214 4.170 0.002 0.000 0.257 26 I C 2.305 178.378 176.117 -0.074 0.000 1.184 26 I CA 1.806 63.090 61.300 -0.027 0.000 1.451 26 I CB -0.018 37.936 38.000 -0.077 0.000 1.089 26 I HN 0.309 nan 8.210 nan 0.000 0.441 27 G N 0.423 109.208 108.800 -0.025 0.000 2.744 27 G HA2 0.014 3.976 3.960 0.002 0.000 0.211 27 G HA3 0.014 3.976 3.960 0.002 0.000 0.211 27 G C 0.907 175.797 174.900 -0.015 0.000 1.143 27 G CA 0.299 45.381 45.100 -0.030 0.000 0.788 27 G HN 0.507 nan 8.290 nan 0.000 0.534 28 G N -0.567 108.234 108.800 0.002 0.000 2.559 28 G HA2 0.377 4.338 3.960 0.002 0.000 0.235 28 G HA3 0.377 4.338 3.960 0.002 0.000 0.235 28 G C 1.278 176.174 174.900 -0.006 0.000 1.266 28 G CA 0.278 45.387 45.100 0.015 0.000 0.847 28 G HN 0.362 nan 8.290 nan 0.000 0.583 29 A N 1.814 124.634 122.820 -0.000 0.000 1.940 29 A HA 0.200 4.521 4.320 0.002 0.000 0.219 29 A C 1.760 179.340 177.584 -0.008 0.000 1.176 29 A CA 1.840 53.869 52.037 -0.014 0.000 0.631 29 A CB -0.730 18.253 19.000 -0.027 0.000 0.814 29 A HN 1.160 nan 8.150 nan 0.000 0.446 33 G N 2.504 111.237 108.800 -0.111 0.000 2.402 33 G HA2 0.096 4.057 3.960 0.002 0.000 0.216 33 G HA3 0.096 4.057 3.960 0.002 0.000 0.216 33 G C 1.268 176.114 174.900 -0.090 0.000 1.162 33 G CA 1.118 46.170 45.100 -0.079 0.000 0.777 33 G HN 0.526 nan 8.290 nan 0.000 0.539 34 I N 1.439 121.967 120.570 -0.070 0.000 2.179 34 I HA -0.199 3.973 4.170 0.002 0.000 0.242 34 I C 3.314 179.382 176.117 -0.081 0.000 1.088 34 I CA 1.030 62.327 61.300 -0.005 0.000 1.357 34 I CB -0.243 37.837 38.000 0.133 0.000 1.051 34 I HN 0.242 nan 8.210 nan 0.000 0.409 35 A N 0.093 122.651 122.820 -0.436 0.000 1.908 35 A HA -0.282 4.039 4.320 0.002 0.000 0.218 35 A C 2.341 179.779 177.584 -0.243 0.000 1.181 35 A CA 2.015 53.657 52.037 -0.657 0.000 0.627 35 A CB -0.667 17.638 19.000 -1.159 0.000 0.818 35 A HN 0.495 nan 8.150 nan 0.000 0.445 36 E N -0.488 119.595 120.200 -0.196 0.000 2.072 36 E HA -0.157 4.195 4.350 0.002 0.000 0.191 36 E C 1.878 178.433 176.600 -0.075 0.000 0.985 36 E CA 1.074 57.404 56.400 -0.117 0.000 0.801 36 E CB -0.122 29.512 29.700 -0.110 0.000 0.750 36 E HN 0.486 nan 8.360 nan 0.000 0.452 37 I N 1.303 121.831 120.570 -0.070 0.000 2.127 37 I HA -0.307 3.865 4.170 0.002 0.000 0.241 37 I C 2.498 178.636 176.117 0.034 0.000 1.075 37 I CA 1.301 62.575 61.300 -0.042 0.000 1.334 37 I CB -1.219 36.763 38.000 -0.029 0.000 1.040 37 I HN 0.244 nan 8.210 nan 0.000 0.405 38 L N -0.354 120.916 121.223 0.078 0.000 2.093 38 L HA -0.178 4.163 4.340 0.002 0.000 0.208 38 L C 2.617 179.635 176.870 0.247 0.000 1.085 38 L CA 0.760 55.720 54.840 0.201 0.000 0.755 38 L CB -0.506 41.631 42.059 0.130 0.000 0.904 38 L HN 0.207 nan 8.230 nan 0.000 0.435 39 L N 0.024 121.318 121.223 0.118 0.000 2.042 39 L HA -0.243 4.098 4.340 0.002 0.000 0.210 39 L C 2.250 179.152 176.870 0.053 0.000 1.076 39 L CA 1.538 56.427 54.840 0.082 0.000 0.749 39 L CB -0.288 41.778 42.059 0.012 0.000 0.893 39 L HN 0.372 nan 8.230 nan 0.000 0.432 40 N N -0.439 118.274 118.700 0.022 0.000 2.494 40 N HA -0.119 4.622 4.740 0.002 0.000 0.182 40 N C 1.206 176.714 175.510 -0.003 0.000 1.076 40 N CA 0.696 53.740 53.050 -0.010 0.000 0.908 40 N CB 0.136 38.591 38.487 -0.054 0.000 0.967 40 N HN 0.547 nan 8.380 nan 0.000 0.449 41 E N -0.348 119.881 120.200 0.048 0.000 2.442 41 E HA 0.076 4.427 4.350 0.002 0.000 0.195 41 E C 0.804 177.350 176.600 -0.090 0.000 1.030 41 E CA 0.172 56.590 56.400 0.030 0.000 0.869 41 E CB 0.341 30.137 29.700 0.160 0.000 0.857 41 E HN 0.373 nan 8.360 nan 0.000 0.505 42 G N 0.529 109.292 108.800 -0.062 0.000 2.192 42 G HA2 -0.219 3.742 3.960 0.002 0.000 0.193 42 G HA3 -0.219 3.742 3.960 0.002 0.000 0.193 42 G C -0.257 174.550 174.900 -0.155 0.000 0.999 42 G CA -0.531 44.490 45.100 -0.131 0.000 0.659 42 G HN 0.140 nan 8.290 nan 0.000 0.503 43 Y N 1.587 121.905 120.300 0.030 0.000 2.336 43 Y HA 0.466 5.017 4.550 0.002 0.000 0.331 43 Y C 1.346 177.277 175.900 0.050 0.000 1.211 43 Y CA -0.019 58.108 58.100 0.045 0.000 1.346 43 Y CB 0.550 39.048 38.460 0.064 0.000 1.271 43 Y HN 0.200 nan 8.280 nan 0.000 0.538 44 Q N 3.047 122.978 119.800 0.218 0.000 2.313 44 Q HA 0.253 4.594 4.340 0.002 0.000 0.266 44 Q C -0.952 175.164 176.000 0.193 0.000 0.989 44 Q CA -0.099 55.799 55.803 0.159 0.000 0.890 44 Q CB 0.727 29.541 28.738 0.125 0.000 1.200 44 Q HN 0.369 nan 8.270 nan 0.000 0.396 45 I N 2.188 122.856 120.570 0.164 0.000 2.433 45 I HA 0.296 4.467 4.170 0.002 0.000 0.292 45 I C 0.170 176.390 176.117 0.172 0.000 1.001 45 I CA -0.347 61.072 61.300 0.198 0.000 1.119 45 I CB 1.353 39.437 38.000 0.141 0.000 1.289 45 I HN 0.612 nan 8.210 nan 0.000 0.438 46 S N 3.822 119.675 115.700 0.254 0.000 2.634 46 S HA 1.018 5.490 4.470 0.002 0.000 0.296 46 S C -0.369 174.359 174.600 0.213 0.000 1.104 46 S CA -0.712 57.652 58.200 0.273 0.000 0.920 46 S CB 2.851 66.329 63.200 0.464 0.000 1.111 46 S HN 1.026 nan 8.310 nan 0.000 0.493 47 G N 0.146 109.021 108.800 0.126 0.000 2.547 47 G HA2 0.579 4.541 3.960 0.002 0.000 0.291 47 G HA3 0.579 4.541 3.960 0.002 0.000 0.291 47 G C -1.151 173.804 174.900 0.092 0.000 1.471 47 G CA -0.235 44.809 45.100 -0.094 0.000 0.798 47 G HN 1.505 nan 8.290 nan 0.000 0.504 48 S N -0.208 115.550 115.700 0.097 0.000 2.568 48 S HA 0.872 5.343 4.470 0.002 0.000 0.293 48 S C -1.472 173.217 174.600 0.148 0.000 1.089 48 S CA -0.742 57.582 58.200 0.206 0.000 0.945 48 S CB 3.037 66.514 63.200 0.462 0.000 1.077 48 S HN 0.765 nan 8.310 nan 0.000 0.485 49 D N 0.153 120.561 120.400 0.013 0.000 2.736 49 D HA 0.250 4.892 4.640 0.002 0.000 0.223 49 D C 0.842 177.048 176.300 -0.156 0.000 1.231 49 D CA -0.563 53.429 54.000 -0.013 0.000 0.818 49 D CB 1.844 42.650 40.800 0.010 0.000 1.587 49 D HN 0.664 nan 8.370 nan 0.000 0.463 50 I N -0.414 120.076 120.570 -0.132 0.000 2.830 50 I HA 0.267 4.438 4.170 0.002 0.000 0.263 50 I C 0.652 176.742 176.117 -0.046 0.000 1.230 50 I CA 0.415 61.642 61.300 -0.121 0.000 1.480 50 I CB 0.037 38.024 38.000 -0.021 0.000 1.095 50 I HN 0.189 nan 8.210 nan 0.000 0.455 51 A N 0.940 123.747 122.820 -0.021 0.000 2.371 51 A HA 0.572 4.893 4.320 0.002 0.000 0.311 51 A C -1.506 176.068 177.584 -0.016 0.000 1.068 51 A CA -0.497 51.535 52.037 -0.008 0.000 0.744 51 A CB 1.243 20.251 19.000 0.013 0.000 1.239 51 A HN 0.252 nan 8.150 nan 0.000 0.435 52 D N 0.932 121.321 120.400 -0.018 0.000 2.233 52 D HA 0.626 5.267 4.640 0.002 0.000 0.240 52 D C 0.426 176.714 176.300 -0.020 0.000 1.074 52 D CA 0.855 54.841 54.000 -0.024 0.000 0.838 52 D CB 1.295 42.079 40.800 -0.026 0.000 1.124 52 D HN 0.776 nan 8.370 nan 0.000 0.475 53 G N 1.264 110.050 108.800 -0.024 0.000 2.911 53 G HA2 0.169 4.130 3.960 0.002 0.000 0.299 53 G HA3 0.169 4.130 3.960 0.002 0.000 0.299 53 G C 0.396 175.280 174.900 -0.027 0.000 1.283 53 G CA -0.161 44.926 45.100 -0.021 0.000 0.805 53 G HN 0.408 nan 8.290 nan 0.000 0.548 54 V N -0.102 119.798 119.914 -0.024 0.000 2.392 54 V HA -0.149 3.972 4.120 0.002 0.000 0.249 54 V C 2.825 178.900 176.094 -0.032 0.000 1.059 54 V CA 2.667 64.952 62.300 -0.026 0.000 1.051 54 V CB -0.404 31.406 31.823 -0.022 0.000 0.658 54 V HN 0.435 nan 8.190 nan 0.000 0.455 55 V N 0.692 120.586 119.914 -0.034 0.000 2.270 55 V HA -0.219 3.902 4.120 0.002 0.000 0.245 55 V C 2.760 178.819 176.094 -0.058 0.000 1.043 55 V CA 2.613 64.886 62.300 -0.044 0.000 1.014 55 V CB -1.222 30.576 31.823 -0.042 0.000 0.645 55 V HN 0.823 nan 8.190 nan 0.000 0.447 56 T N -1.761 112.759 114.554 -0.055 0.000 2.821 56 T HA -0.255 4.096 4.350 0.002 0.000 0.267 56 T C 1.796 176.455 174.700 -0.068 0.000 1.046 56 T CA 1.523 63.583 62.100 -0.068 0.000 1.139 56 T CB -0.364 68.468 68.868 -0.060 0.000 0.871 56 T HN 0.490 nan 8.240 nan 0.000 0.454 57 Q N 0.538 120.306 119.800 -0.054 0.000 2.084 57 Q HA -0.014 4.327 4.340 0.002 0.000 0.202 57 Q C 2.606 178.577 176.000 -0.049 0.000 0.978 57 Q CA 1.233 57.007 55.803 -0.049 0.000 0.844 57 Q CB -0.206 28.509 28.738 -0.037 0.000 0.898 57 Q HN 0.512 nan 8.270 nan 0.000 0.426 58 R N 0.637 121.109 120.500 -0.046 0.000 2.081 58 R HA -0.149 4.192 4.340 0.002 0.000 0.235 58 R C 2.095 178.363 176.300 -0.054 0.000 1.131 58 R CA 1.137 57.211 56.100 -0.043 0.000 0.960 58 R CB -0.212 30.064 30.300 -0.039 0.000 0.856 58 R HN 0.260 nan 8.270 nan 0.000 0.436 59 L N 0.247 121.428 121.223 -0.071 0.000 2.056 59 L HA -0.122 4.219 4.340 0.002 0.000 0.207 59 L C 2.731 179.555 176.870 -0.078 0.000 1.078 59 L CA 1.321 56.109 54.840 -0.086 0.000 0.749 59 L CB -0.475 41.513 42.059 -0.118 0.000 0.901 59 L HN 0.321 nan 8.230 nan 0.000 0.433 60 A N -0.685 122.086 122.820 -0.081 0.000 1.902 60 A HA -0.271 4.050 4.320 0.002 0.000 0.217 60 A C 2.186 179.733 177.584 -0.061 0.000 1.181 60 A CA 1.626 53.614 52.037 -0.083 0.000 0.623 60 A CB -0.490 18.455 19.000 -0.092 0.000 0.818 60 A HN 0.452 nan 8.150 nan 0.000 0.443 61 Q N -0.964 118.806 119.800 -0.050 0.000 2.170 61 Q HA -0.029 4.312 4.340 0.002 0.000 0.203 61 Q C 2.071 178.051 176.000 -0.032 0.000 0.976 61 Q CA 1.212 56.993 55.803 -0.037 0.000 0.858 61 Q CB -0.281 28.438 28.738 -0.031 0.000 0.907 61 Q HN 0.690 nan 8.270 nan 0.000 0.433 62 A N -0.847 121.951 122.820 -0.036 0.000 2.208 62 A HA 0.288 4.609 4.320 0.002 0.000 0.209 62 A C 1.402 178.969 177.584 -0.027 0.000 1.161 62 A CA 0.905 52.924 52.037 -0.030 0.000 0.782 62 A CB 0.016 18.996 19.000 -0.035 0.000 0.816 62 A HN 0.450 nan 8.150 nan 0.000 0.477 63 G N -2.409 106.372 108.800 -0.032 0.000 2.192 63 G HA2 0.186 4.147 3.960 0.002 0.000 0.193 63 G HA3 0.186 4.147 3.960 0.002 0.000 0.193 63 G C 0.363 175.248 174.900 -0.026 0.000 0.999 63 G CA 0.011 45.096 45.100 -0.025 0.000 0.659 63 G HN 1.431 nan 8.290 nan 0.000 0.503 64 A N 0.731 123.526 122.820 -0.041 0.000 2.425 64 A HA 0.580 4.901 4.320 0.002 0.000 0.249 64 A C 0.545 178.079 177.584 -0.084 0.000 1.084 64 A CA 0.157 52.167 52.037 -0.044 0.000 0.781 64 A CB 0.388 19.347 19.000 -0.068 0.000 1.019 64 A HN 0.149 nan 8.150 nan 0.000 0.490 65 K N 2.972 123.322 120.400 -0.082 0.000 2.273 65 K HA 0.297 4.618 4.320 0.002 0.000 0.287 65 K C -0.668 175.704 176.600 -0.381 0.000 1.089 65 K CA 0.046 56.204 56.287 -0.214 0.000 0.909 65 K CB 0.492 32.918 32.500 -0.123 0.000 1.123 65 K HN 0.499 nan 8.250 nan 0.000 0.473 66 I N 4.275 124.566 120.570 -0.464 0.000 2.354 66 I HA 0.263 4.435 4.170 0.002 0.000 0.292 66 I C -0.362 175.402 176.117 -0.588 0.000 0.989 66 I CA -0.916 60.146 61.300 -0.396 0.000 1.188 66 I CB 0.704 38.580 38.000 -0.207 0.000 1.342 66 I HN 0.365 nan 8.210 nan 0.000 0.457 67 Y N 5.432 125.636 120.300 -0.159 0.000 2.377 67 Y HA 0.487 5.038 4.550 0.002 0.000 0.339 67 Y C 0.250 176.032 175.900 -0.197 0.000 1.011 67 Y CA -1.007 56.914 58.100 -0.297 0.000 1.093 67 Y CB 1.728 39.673 38.460 -0.857 0.000 1.201 67 Y HN 0.253 nan 8.280 nan 0.000 0.455 68 I N 3.161 123.736 120.570 0.008 0.000 2.336 68 I HA 0.587 4.758 4.170 0.002 0.000 0.292 68 I C 0.642 176.765 176.117 0.010 0.000 0.991 68 I CA -0.380 60.911 61.300 -0.014 0.000 1.227 68 I CB 0.519 38.508 38.000 -0.017 0.000 1.366 68 I HN 0.793 nan 8.210 nan 0.000 0.466 69 G N 6.102 114.844 108.800 -0.096 0.000 2.712 69 G HA2 -0.138 3.823 3.960 0.002 0.000 0.686 69 G HA3 -0.138 3.823 3.960 0.002 0.000 0.686 69 G C -0.810 174.053 174.900 -0.061 0.000 1.321 69 G CA -0.873 44.160 45.100 -0.112 0.000 0.813 69 G HN 0.715 nan 8.290 nan 0.000 0.599 70 H N -0.090 119.087 119.070 0.178 0.000 2.457 70 H HA 0.789 5.346 4.556 0.002 0.000 0.335 70 H C 0.535 175.840 175.328 -0.037 0.000 1.115 70 H CA 0.404 56.547 56.048 0.158 0.000 1.219 70 H CB 1.633 31.456 29.762 0.102 0.000 1.471 70 H HN 1.468 nan 8.280 nan 0.000 0.491 71 A N 2.159 124.873 122.820 -0.176 0.000 2.566 71 A HA 0.230 4.551 4.320 0.002 0.000 0.297 71 A C 1.063 178.397 177.584 -0.416 0.000 1.059 71 A CA -0.577 51.204 52.037 -0.428 0.000 0.691 71 A CB 1.116 19.699 19.000 -0.696 0.000 1.282 71 A HN 0.829 nan 8.150 nan 0.000 0.401 72 E N 1.599 121.655 120.200 -0.240 0.000 2.204 72 E HA -0.249 4.102 4.350 0.002 0.000 0.195 72 E C 1.138 177.617 176.600 -0.201 0.000 0.990 72 E CA 1.447 57.745 56.400 -0.171 0.000 0.821 72 E CB -0.138 29.494 29.700 -0.114 0.000 0.750 72 E HN 0.746 nan 8.360 nan 0.000 0.477 73 E N 1.390 121.434 120.200 -0.260 0.000 2.265 73 E HA -0.245 4.107 4.350 0.002 0.000 0.196 73 E C 1.415 177.889 176.600 -0.209 0.000 0.996 73 E CA 1.300 57.575 56.400 -0.209 0.000 0.832 73 E CB -0.731 28.860 29.700 -0.181 0.000 0.756 73 E HN 0.668 nan 8.360 nan 0.000 0.491 74 H N 1.185 120.062 119.070 -0.322 0.000 2.521 74 H HA 0.012 4.569 4.556 0.002 0.000 0.286 74 H C 2.227 177.283 175.328 -0.454 0.000 1.034 74 H CA 1.029 56.789 56.048 -0.481 0.000 1.278 74 H CB -0.209 29.385 29.762 -0.280 0.000 1.386 74 H HN 0.353 nan 8.280 nan 0.000 0.567 75 I N -0.792 119.571 120.570 -0.345 0.000 3.684 75 I HA 0.024 4.196 4.170 0.002 0.000 0.304 75 I C 0.870 176.850 176.117 -0.228 0.000 1.278 75 I CA -0.000 61.002 61.300 -0.496 0.000 1.272 75 I CB 0.047 37.843 38.000 -0.339 0.000 1.029 75 I HN -0.016 nan 8.210 nan 0.000 0.458 76 E N 2.971 123.088 120.200 -0.138 0.000 2.652 76 E HA -0.041 4.310 4.350 0.002 0.000 0.255 76 E C 1.255 177.847 176.600 -0.013 0.000 0.952 76 E CA 1.485 57.849 56.400 -0.059 0.000 0.947 76 E CB 0.281 29.960 29.700 -0.035 0.000 0.912 76 E HN 0.658 nan 8.360 nan 0.000 0.489 77 G N 2.991 111.789 108.800 -0.004 0.000 2.241 77 G HA2 -0.312 3.650 3.960 0.002 0.000 0.244 77 G HA3 -0.312 3.650 3.960 0.002 0.000 0.244 77 G C 0.408 175.326 174.900 0.030 0.000 0.998 77 G CA 0.342 45.457 45.100 0.024 0.000 0.621 77 G HN 0.977 nan 8.290 nan 0.000 0.519 78 A N 0.551 123.377 122.820 0.010 0.000 2.520 78 A HA 0.637 4.958 4.320 0.002 0.000 0.245 78 A C 1.467 179.058 177.584 0.012 0.000 1.072 78 A CA 1.389 53.441 52.037 0.025 0.000 0.761 78 A CB 0.379 19.383 19.000 0.005 0.000 1.004 78 A HN 0.968 nan 8.150 nan 0.000 0.499 79 S N 0.683 116.394 115.700 0.019 0.000 2.458 79 S HA 0.220 4.692 4.470 0.002 0.000 0.223 79 S C 0.541 175.130 174.600 -0.019 0.000 1.019 79 S CA 0.777 58.981 58.200 0.008 0.000 0.937 79 S CB 0.123 63.338 63.200 0.026 0.000 0.788 79 S HN 1.037 nan 8.310 nan 0.000 0.511 80 V N 1.163 121.054 119.914 -0.038 0.000 3.048 80 V HA 0.548 4.669 4.120 0.002 0.000 0.303 80 V C -1.976 174.063 176.094 -0.092 0.000 1.214 80 V CA -0.663 61.591 62.300 -0.076 0.000 0.984 80 V CB 2.281 34.035 31.823 -0.114 0.000 1.054 80 V HN -0.044 nan 8.190 nan 0.000 0.430 81 V N 6.258 126.118 119.914 -0.091 0.000 2.409 81 V HA 0.551 4.672 4.120 0.002 0.000 0.291 81 V C -0.298 175.695 176.094 -0.168 0.000 1.020 81 V CA -0.531 61.722 62.300 -0.078 0.000 0.848 81 V CB 1.791 33.622 31.823 0.014 0.000 0.990 81 V HN 0.684 nan 8.190 nan 0.000 0.430 82 V N 5.672 125.398 119.914 -0.314 0.000 2.427 82 V HA 0.526 4.647 4.120 0.002 0.000 0.286 82 V C -0.157 175.847 176.094 -0.151 0.000 1.034 82 V CA -0.572 61.535 62.300 -0.321 0.000 0.893 82 V CB 1.875 33.312 31.823 -0.644 0.000 0.982 82 V HN 0.580 nan 8.190 nan 0.000 0.452 83 V N 4.565 124.437 119.914 -0.071 0.000 2.487 83 V HA 0.545 4.666 4.120 0.002 0.000 0.298 83 V C 0.258 176.358 176.094 0.010 0.000 1.028 83 V CA -0.144 62.145 62.300 -0.017 0.000 0.860 83 V CB 2.323 34.131 31.823 -0.025 0.000 0.991 83 V HN 0.984 nan 8.190 nan 0.000 0.427 84 S N 4.080 119.802 115.700 0.037 0.000 2.576 84 S HA 0.167 4.638 4.470 0.002 0.000 0.276 84 S C 1.306 175.919 174.600 0.021 0.000 1.339 84 S CA 0.345 58.569 58.200 0.041 0.000 1.039 84 S CB 1.403 64.639 63.200 0.061 0.000 0.902 84 S HN 0.899 nan 8.310 nan 0.000 0.516 85 S N 3.420 119.128 115.700 0.015 0.000 2.547 85 S HA 0.014 4.486 4.470 0.002 0.000 0.235 85 S C 1.821 176.430 174.600 0.015 0.000 0.980 85 S CA 0.676 58.878 58.200 0.004 0.000 0.941 85 S CB -0.381 62.811 63.200 -0.013 0.000 0.763 85 S HN 0.793 nan 8.310 nan 0.000 0.532 86 A N 1.065 123.904 122.820 0.032 0.000 2.119 86 A HA 0.146 4.467 4.320 0.002 0.000 0.216 86 A C 0.744 178.348 177.584 0.034 0.000 1.152 86 A CA 0.386 52.451 52.037 0.047 0.000 0.708 86 A CB -0.184 18.860 19.000 0.072 0.000 0.805 86 A HN 0.341 nan 8.150 nan 0.000 0.460 87 I N 1.219 121.798 120.570 0.015 0.000 2.496 87 I HA 0.105 4.276 4.170 0.002 0.000 0.285 87 I C 0.315 176.417 176.117 -0.024 0.000 1.080 87 I CA -0.093 61.195 61.300 -0.019 0.000 1.404 87 I CB 0.286 38.256 38.000 -0.049 0.000 1.403 87 I HN 0.210 nan 8.210 nan 0.000 0.539 88 K N 4.720 125.102 120.400 -0.030 0.000 2.258 88 K HA 0.056 4.378 4.320 0.002 0.000 0.264 88 K C 0.736 177.316 176.600 -0.034 0.000 1.007 88 K CA -0.510 55.763 56.287 -0.023 0.000 0.941 88 K CB 0.868 33.359 32.500 -0.015 0.000 0.966 88 K HN 0.399 nan 8.250 nan 0.000 0.480 89 D N 1.640 122.026 120.400 -0.025 0.000 2.221 89 D HA -0.162 4.479 4.640 0.002 0.000 0.204 89 D C 0.900 177.183 176.300 -0.029 0.000 0.982 89 D CA 1.385 55.370 54.000 -0.025 0.000 0.857 89 D CB -0.018 40.771 40.800 -0.019 0.000 0.934 89 D HN 0.605 nan 8.370 nan 0.000 0.475 90 D N -0.527 119.856 120.400 -0.028 0.000 2.340 90 D HA -0.091 4.550 4.640 0.002 0.000 0.217 90 D C 0.430 176.708 176.300 -0.036 0.000 1.081 90 D CA -0.397 53.587 54.000 -0.027 0.000 0.842 90 D CB -0.839 39.950 40.800 -0.019 0.000 0.934 90 D HN -0.084 nan 8.370 nan 0.000 0.511 91 N N 2.139 120.804 118.700 -0.057 0.000 2.359 91 N HA -0.059 4.682 4.740 0.002 0.000 0.261 91 N C -1.298 174.171 175.510 -0.068 0.000 1.267 91 N CA -0.668 52.326 53.050 -0.094 0.000 0.864 91 N CB 1.441 39.821 38.487 -0.179 0.000 1.063 91 N HN -0.024 nan 8.380 nan 0.000 0.474 92 P HA -0.123 nan 4.420 nan 0.000 0.217 92 P C 0.562 177.835 177.300 -0.046 0.000 1.150 92 P CA 1.427 64.503 63.100 -0.040 0.000 0.832 92 P CB 0.334 32.014 31.700 -0.033 0.000 0.787 93 E N -0.567 119.612 120.200 -0.034 0.000 2.072 93 E HA -0.138 4.214 4.350 0.002 0.000 0.191 93 E C 2.064 178.652 176.600 -0.020 0.000 0.985 93 E CA 0.560 56.952 56.400 -0.013 0.000 0.801 93 E CB -0.607 29.148 29.700 0.092 0.000 0.750 93 E HN 0.093 nan 8.360 nan 0.000 0.452 94 L N 0.723 121.926 121.223 -0.033 0.000 2.017 94 L HA -0.153 4.188 4.340 0.002 0.000 0.208 94 L C 2.213 179.063 176.870 -0.032 0.000 1.073 94 L CA 1.421 56.242 54.840 -0.032 0.000 0.745 94 L CB -0.371 41.660 42.059 -0.046 0.000 0.894 94 L HN -0.052 nan 8.230 nan 0.000 0.432 95 V N -0.727 119.165 119.914 -0.037 0.000 2.295 95 V HA -0.301 3.820 4.120 0.002 0.000 0.246 95 V C 2.462 178.535 176.094 -0.034 0.000 1.049 95 V CA 2.271 64.551 62.300 -0.033 0.000 1.024 95 V CB -1.144 30.660 31.823 -0.032 0.000 0.648 95 V HN 0.543 nan 8.190 nan 0.000 0.447 96 T N -0.286 114.243 114.554 -0.041 0.000 2.746 96 T HA -0.169 4.182 4.350 0.002 0.000 0.267 96 T C 2.142 176.816 174.700 -0.043 0.000 1.039 96 T CA 1.752 63.825 62.100 -0.045 0.000 1.142 96 T CB -0.268 68.565 68.868 -0.059 0.000 0.866 96 T HN 0.496 nan 8.240 nan 0.000 0.444 97 S N 1.240 116.915 115.700 -0.042 0.000 2.370 97 S HA -0.108 4.364 4.470 0.002 0.000 0.226 97 S C 2.061 176.643 174.600 -0.030 0.000 1.033 97 S CA 1.196 59.374 58.200 -0.038 0.000 1.011 97 S CB -0.190 62.993 63.200 -0.028 0.000 0.852 97 S HN 0.514 nan 8.310 nan 0.000 0.457 98 K N 1.026 121.409 120.400 -0.027 0.000 2.097 98 K HA -0.057 4.265 4.320 0.002 0.000 0.205 98 K C 2.462 179.049 176.600 -0.022 0.000 1.050 98 K CA 0.908 57.181 56.287 -0.023 0.000 0.938 98 K CB -0.143 32.344 32.500 -0.022 0.000 0.718 98 K HN 0.311 nan 8.250 nan 0.000 0.442 99 Q N 1.487 121.272 119.800 -0.025 0.000 2.124 99 Q HA -0.168 4.173 4.340 0.002 0.000 0.202 99 Q C 1.090 177.076 176.000 -0.023 0.000 0.977 99 Q CA 1.566 57.355 55.803 -0.023 0.000 0.850 99 Q CB 0.180 28.902 28.738 -0.026 0.000 0.901 99 Q HN 0.204 nan 8.270 nan 0.000 0.429 100 K N -0.042 120.342 120.400 -0.026 0.000 2.444 100 K HA 0.076 4.397 4.320 0.002 0.000 0.193 100 K C -0.103 176.484 176.600 -0.021 0.000 1.024 100 K CA 0.002 56.274 56.287 -0.025 0.000 1.077 100 K CB 0.299 32.780 32.500 -0.031 0.000 0.833 100 K HN 0.168 nan 8.250 nan 0.000 0.517 101 R N 0.462 120.950 120.500 -0.020 0.000 3.641 101 R HA -0.169 4.172 4.340 0.002 0.000 0.286 101 R C -0.604 175.685 176.300 -0.018 0.000 1.153 101 R CA 0.411 56.501 56.100 -0.017 0.000 0.775 101 R CB -2.345 27.947 30.300 -0.013 0.000 1.215 101 R HN 0.212 nan 8.270 nan 0.000 0.474 102 I N 1.703 122.259 120.570 -0.023 0.000 2.496 102 I HA 0.151 4.322 4.170 0.002 0.000 0.285 102 I C -1.608 174.492 176.117 -0.028 0.000 1.080 102 I CA -2.143 59.143 61.300 -0.024 0.000 1.404 102 I CB 0.561 38.544 38.000 -0.029 0.000 1.403 102 I HN -0.220 nan 8.210 nan 0.000 0.539 103 P HA 0.001 nan 4.420 nan 0.000 0.261 103 P C -0.894 176.377 177.300 -0.048 0.000 1.183 103 P CA 0.158 63.236 63.100 -0.036 0.000 0.761 103 P CB 0.310 31.986 31.700 -0.040 0.000 0.785 104 V N 5.769 125.656 119.914 -0.045 0.000 2.409 104 V HA 0.508 4.630 4.120 0.002 0.000 0.291 104 V C 0.416 176.473 176.094 -0.060 0.000 1.020 104 V CA -0.476 61.793 62.300 -0.051 0.000 0.848 104 V CB 1.109 32.911 31.823 -0.035 0.000 0.990 104 V HN 0.416 nan 8.190 nan 0.000 0.430 105 I N 1.364 121.880 120.570 -0.090 0.000 2.828 105 I HA 0.645 4.816 4.170 0.002 0.000 0.302 105 I C -0.294 175.754 176.117 -0.116 0.000 1.101 105 I CA -0.996 60.237 61.300 -0.111 0.000 1.031 105 I CB 2.102 40.010 38.000 -0.153 0.000 1.231 105 I HN 0.464 nan 8.210 nan 0.000 0.427 106 Q N 3.096 122.824 119.800 -0.120 0.000 2.392 106 Q HA 0.148 4.489 4.340 0.002 0.000 0.262 106 Q C 1.039 176.973 176.000 -0.110 0.000 1.003 106 Q CA -0.127 55.625 55.803 -0.085 0.000 0.888 106 Q CB 1.247 29.969 28.738 -0.026 0.000 1.260 106 Q HN 0.628 nan 8.270 nan 0.000 0.435 107 R N 1.759 122.234 120.500 -0.042 0.000 2.159 107 R HA -0.321 4.021 4.340 0.002 0.000 0.249 107 R C 1.731 178.018 176.300 -0.021 0.000 1.136 107 R CA 2.239 58.339 56.100 0.000 0.000 0.951 107 R CB -0.482 29.842 30.300 0.040 0.000 0.876 107 R HN 0.807 nan 8.270 nan 0.000 0.440 108 A N 0.721 123.533 122.820 -0.014 0.000 2.015 108 A HA -0.144 4.177 4.320 0.002 0.000 0.219 108 A C 1.431 178.958 177.584 -0.096 0.000 1.163 108 A CA 0.717 52.767 52.037 0.021 0.000 0.646 108 A CB -0.357 18.727 19.000 0.139 0.000 0.806 108 A HN 0.634 nan 8.150 nan 0.000 0.448 112 A N 0.179 123.003 122.820 0.006 0.000 1.933 112 A HA -0.113 4.208 4.320 0.002 0.000 0.218 112 A C 1.857 179.420 177.584 -0.035 0.000 1.175 112 A CA 1.893 53.934 52.037 0.007 0.000 0.628 112 A CB -0.406 18.614 19.000 0.034 0.000 0.814 112 A HN 0.529 nan 8.150 nan 0.000 0.444 113 E N 0.034 120.204 120.200 -0.050 0.000 2.106 113 E HA -0.026 4.325 4.350 0.002 0.000 0.192 113 E C 1.044 177.633 176.600 -0.017 0.000 0.984 113 E CA 0.222 56.589 56.400 -0.055 0.000 0.806 113 E CB -0.369 29.296 29.700 -0.060 0.000 0.750 113 E HN 0.690 nan 8.360 nan 0.000 0.458 117 F N 2.501 122.464 119.950 0.023 0.000 2.639 117 F HA 0.508 5.036 4.527 0.002 0.000 0.300 117 F C 0.441 176.254 175.800 0.022 0.000 1.109 117 F CA -0.046 57.968 58.000 0.022 0.000 1.335 117 F CB 0.472 39.487 39.000 0.024 0.000 1.014 117 F HN -0.174 nan 8.300 nan 0.000 0.537 118 R N -1.332 119.250 120.500 0.138 0.000 2.902 118 R HA 0.303 4.644 4.340 0.002 0.000 0.258 118 R C -0.740 175.613 176.300 0.089 0.000 1.071 118 R CA -1.096 55.072 56.100 0.112 0.000 1.024 118 R CB 1.093 31.457 30.300 0.107 0.000 1.184 118 R HN 0.040 nan 8.270 nan 0.000 0.492 119 H N -0.143 118.921 119.070 -0.010 0.000 2.969 119 H HA 0.236 4.793 4.556 0.002 0.000 0.269 119 H C -0.198 175.167 175.328 0.063 0.000 1.223 119 H CA -0.065 55.981 56.048 -0.003 0.000 1.400 119 H CB 0.306 29.997 29.762 -0.118 0.000 1.500 119 H HN 0.706 nan 8.280 nan 0.000 0.486 120 G N 5.290 114.038 108.800 -0.086 0.000 2.355 120 G HA2 0.385 4.346 3.960 0.002 0.000 0.276 120 G HA3 0.385 4.346 3.960 0.002 0.000 0.276 120 G C -0.445 174.431 174.900 -0.041 0.000 1.198 120 G CA -0.626 44.463 45.100 -0.019 0.000 0.876 120 G HN 0.691 nan 8.290 nan 0.000 0.478 121 I N 2.347 122.940 120.570 0.038 0.000 2.390 121 I HA 0.409 4.580 4.170 0.002 0.000 0.283 121 I C 0.498 176.641 176.117 0.044 0.000 1.016 121 I CA -0.501 60.812 61.300 0.022 0.000 1.151 121 I CB 1.711 39.701 38.000 -0.016 0.000 1.293 121 I HN 0.514 nan 8.210 nan 0.000 0.458 122 A N 6.487 129.356 122.820 0.081 0.000 2.292 122 A HA 0.762 5.083 4.320 0.002 0.000 0.319 122 A C -0.482 177.222 177.584 0.199 0.000 1.206 122 A CA -0.465 51.674 52.037 0.170 0.000 0.835 122 A CB 1.029 20.200 19.000 0.286 0.000 1.164 122 A HN 0.436 nan 8.150 nan 0.000 0.505 123 V N 2.371 122.389 119.914 0.172 0.000 2.334 123 V HA 0.641 4.763 4.120 0.002 0.000 0.281 123 V C 0.525 176.723 176.094 0.173 0.000 1.016 123 V CA 0.075 62.467 62.300 0.154 0.000 0.832 123 V CB 0.603 32.477 31.823 0.084 0.000 0.999 123 V HN 1.193 nan 8.190 nan 0.000 0.439 124 A N 3.663 126.622 122.820 0.231 0.000 2.389 124 A HA 1.096 5.418 4.320 0.002 0.000 0.293 124 A C 0.234 177.980 177.584 0.270 0.000 1.186 124 A CA -0.259 51.916 52.037 0.230 0.000 0.828 124 A CB 1.849 21.003 19.000 0.257 0.000 1.369 124 A HN 1.933 nan 8.150 nan 0.000 0.446 125 G N -1.928 107.073 108.800 0.335 0.000 2.357 125 G HA2 0.320 4.281 3.960 0.002 0.000 0.643 125 G HA3 0.320 4.281 3.960 0.002 0.000 0.643 125 G C 0.180 175.136 174.900 0.093 0.000 1.358 125 G CA 0.241 45.463 45.100 0.203 0.000 0.986 125 G HN 1.024 nan 8.290 nan 0.000 0.620 126 T N 0.519 115.006 114.554 -0.111 0.000 2.809 126 T HA 0.154 4.505 4.350 0.002 0.000 0.260 126 T C 0.747 175.201 174.700 -0.410 0.000 1.039 126 T CA 1.731 63.621 62.100 -0.349 0.000 1.141 126 T CB -0.217 68.208 68.868 -0.740 0.000 0.869 126 T HN 0.616 nan 8.240 nan 0.000 0.437 127 H N -1.385 117.686 119.070 0.001 0.000 2.690 127 H HA 0.503 5.061 4.556 0.002 0.000 0.368 127 H C 1.068 176.438 175.328 0.070 0.000 1.150 127 H CA -0.330 55.725 56.048 0.013 0.000 1.174 127 H CB 1.564 31.293 29.762 -0.055 0.000 1.684 127 H HN 0.348 nan 8.280 nan 0.000 0.538 128 G N 1.617 110.552 108.800 0.225 0.000 2.157 128 G HA2 -0.325 3.636 3.960 0.002 0.000 0.248 128 G HA3 -0.325 3.636 3.960 0.002 0.000 0.248 128 G C 1.147 176.123 174.900 0.127 0.000 0.979 128 G CA 0.522 45.729 45.100 0.177 0.000 0.650 128 G HN 0.586 nan 8.290 nan 0.000 0.529 129 K N -0.394 120.079 120.400 0.121 0.000 2.002 129 K HA -0.051 4.270 4.320 0.002 0.000 0.209 129 K C 2.609 179.250 176.600 0.069 0.000 1.048 129 K CA 1.830 58.172 56.287 0.092 0.000 0.930 129 K CB -0.391 32.163 32.500 0.090 0.000 0.714 129 K HN 0.322 nan 8.250 nan 0.000 0.438 130 T N 0.824 115.418 114.554 0.067 0.000 2.746 130 T HA -0.130 4.221 4.350 0.002 0.000 0.267 130 T C 1.944 176.678 174.700 0.057 0.000 1.039 130 T CA 1.817 63.941 62.100 0.040 0.000 1.142 130 T CB -0.345 68.519 68.868 -0.007 0.000 0.866 130 T HN 0.293 nan 8.240 nan 0.000 0.444 131 T N 1.681 116.287 114.554 0.087 0.000 2.674 131 T HA -0.114 4.237 4.350 0.002 0.000 0.265 131 T C 2.300 177.018 174.700 0.031 0.000 1.039 131 T CA 1.715 63.887 62.100 0.121 0.000 1.150 131 T CB -0.735 68.220 68.868 0.144 0.000 0.864 131 T HN 0.382 nan 8.240 nan 0.000 0.427 132 T N 1.801 116.352 114.554 -0.004 0.000 2.746 132 T HA -0.110 4.241 4.350 0.002 0.000 0.267 132 T C 2.280 176.925 174.700 -0.091 0.000 1.039 132 T CA 1.607 63.661 62.100 -0.077 0.000 1.142 132 T CB -0.691 68.152 68.868 -0.041 0.000 0.866 132 T HN 0.402 nan 8.240 nan 0.000 0.444 133 T N 2.166 116.697 114.554 -0.039 0.000 2.708 133 T HA 0.111 4.462 4.350 0.002 0.000 0.266 133 T C 1.386 176.021 174.700 -0.109 0.000 1.037 133 T CA 0.883 62.953 62.100 -0.050 0.000 1.146 133 T CB -0.475 68.396 68.868 0.005 0.000 0.865 133 T HN 0.543 nan 8.240 nan 0.000 0.435 140 Y N 1.828 122.050 120.300 -0.129 0.000 2.242 140 Y HA -0.203 4.348 4.550 0.002 0.000 0.291 140 Y C 2.661 178.507 175.900 -0.090 0.000 1.137 140 Y CA 2.231 60.236 58.100 -0.158 0.000 1.181 140 Y CB -0.178 38.162 38.460 -0.200 0.000 0.989 140 Y HN 0.123 nan 8.280 nan 0.000 0.527 141 T N -0.601 114.017 114.554 0.106 0.000 2.708 141 T HA -0.267 4.085 4.350 0.002 0.000 0.266 141 T C 1.771 176.484 174.700 0.022 0.000 1.037 141 T CA 1.623 63.768 62.100 0.076 0.000 1.146 141 T CB -0.301 68.612 68.868 0.075 0.000 0.865 141 T HN 0.210 nan 8.240 nan 0.000 0.435 142 Q N 1.245 121.044 119.800 -0.002 0.000 2.124 142 Q HA 0.075 4.416 4.340 0.002 0.000 0.202 142 Q C 2.067 178.038 176.000 -0.048 0.000 0.977 142 Q CA 1.528 57.318 55.803 -0.022 0.000 0.850 142 Q CB -0.555 28.166 28.738 -0.028 0.000 0.901 142 Q HN 0.513 nan 8.270 nan 0.000 0.429 143 A N 0.077 122.843 122.820 -0.091 0.000 2.239 143 A HA -0.023 4.298 4.320 0.002 0.000 0.209 143 A C 0.131 177.662 177.584 -0.089 0.000 1.171 143 A CA 0.756 52.714 52.037 -0.132 0.000 0.768 143 A CB -0.383 18.456 19.000 -0.269 0.000 0.790 143 A HN 0.459 nan 8.150 nan 0.000 0.478 144 K N -1.900 118.475 120.400 -0.041 0.000 3.129 144 K HA -0.177 4.144 4.320 0.002 0.000 0.273 144 K C 0.219 176.828 176.600 0.017 0.000 1.123 144 K CA 0.928 57.214 56.287 -0.002 0.000 0.800 144 K CB -2.194 30.305 32.500 -0.002 0.000 1.238 144 K HN 0.534 nan 8.250 nan 0.000 0.492 145 L N 0.071 121.296 121.223 0.004 0.000 2.607 145 L HA 0.042 4.383 4.340 0.002 0.000 0.228 145 L C 0.561 177.535 176.870 0.173 0.000 1.123 145 L CA 0.088 54.957 54.840 0.048 0.000 0.890 145 L CB 0.004 41.958 42.059 -0.175 0.000 1.103 145 L HN 0.271 nan 8.230 nan 0.000 0.468 146 D N 0.669 121.163 120.400 0.157 0.000 2.735 146 D HA -0.119 4.523 4.640 0.002 0.000 0.235 146 D C -2.163 174.300 176.300 0.272 0.000 1.175 146 D CA 0.013 54.136 54.000 0.204 0.000 0.683 146 D CB -0.015 40.888 40.800 0.171 0.000 1.008 146 D HN 0.156 nan 8.370 nan 0.000 0.416 147 P HA 0.166 nan 4.420 nan 0.000 0.277 147 P C -0.178 177.315 177.300 0.322 0.000 1.240 147 P CA -0.289 63.016 63.100 0.341 0.000 0.798 147 P CB 0.948 32.829 31.700 0.302 0.000 0.979 148 T N 2.906 117.600 114.554 0.233 0.000 2.856 148 T HA 0.515 4.867 4.350 0.002 0.000 0.292 148 T C -0.077 174.743 174.700 0.200 0.000 0.980 148 T CA 0.165 62.328 62.100 0.105 0.000 1.091 148 T CB -0.314 68.585 68.868 0.053 0.000 0.936 148 T HN 0.332 nan 8.240 nan 0.000 0.503 149 F N 0.252 120.267 119.950 0.108 0.000 2.588 149 F HA 0.804 5.332 4.527 0.003 0.000 0.310 149 F C -1.261 174.578 175.800 0.064 0.000 1.082 149 F CA -1.418 56.627 58.000 0.075 0.000 0.929 149 F CB 1.271 40.310 39.000 0.064 0.000 1.254 149 F HN 0.187 nan 8.300 nan 0.000 0.455 150 V N 2.902 122.966 119.914 0.251 0.000 2.385 150 V HA 0.315 4.436 4.120 0.002 0.000 0.277 150 V C -0.709 175.501 176.094 0.194 0.000 1.012 150 V CA -0.639 61.758 62.300 0.162 0.000 0.832 150 V CB 0.913 32.785 31.823 0.081 0.000 1.028 150 V HN 0.958 nan 8.190 nan 0.000 0.436 151 N N 2.731 121.576 118.700 0.242 0.000 2.492 151 N HA 0.431 5.173 4.740 0.002 0.000 0.289 151 N C 1.004 176.564 175.510 0.083 0.000 1.133 151 N CA -0.173 52.969 53.050 0.154 0.000 0.961 151 N CB 1.907 40.488 38.487 0.156 0.000 1.186 151 N HN 0.729 nan 8.380 nan 0.000 0.493 152 G N 0.713 109.538 108.800 0.041 0.000 3.424 152 G HA2 0.418 4.379 3.960 0.002 0.000 0.263 152 G HA3 0.418 4.379 3.960 0.002 0.000 0.263 152 G C 0.176 175.046 174.900 -0.051 0.000 1.310 152 G CA -0.105 44.995 45.100 0.001 0.000 1.089 152 G HN 0.673 nan 8.290 nan 0.000 0.534 153 G N -0.845 107.936 108.800 -0.031 0.000 2.466 153 G HA2 0.407 4.368 3.960 0.002 0.000 0.291 153 G HA3 0.407 4.368 3.960 0.002 0.000 0.291 153 G C -1.358 173.533 174.900 -0.014 0.000 1.460 153 G CA -1.004 44.053 45.100 -0.072 0.000 0.791 153 G HN 0.373 nan 8.290 nan 0.000 0.505 154 L N 0.986 122.191 121.223 -0.029 0.000 2.477 154 L HA 0.510 4.851 4.340 0.002 0.000 0.272 154 L C 0.129 177.001 176.870 0.003 0.000 1.157 154 L CA -0.263 54.577 54.840 0.001 0.000 0.889 154 L CB 0.880 42.928 42.059 -0.019 0.000 1.158 154 L HN 0.266 nan 8.230 nan 0.000 0.473 155 V N 6.950 126.889 119.914 0.042 0.000 2.389 155 V HA 0.123 4.245 4.120 0.002 0.000 0.264 155 V C 1.181 177.265 176.094 -0.017 0.000 1.049 155 V CA -0.312 61.990 62.300 0.003 0.000 0.932 155 V CB 0.705 32.522 31.823 -0.010 0.000 1.011 155 V HN 0.829 nan 8.190 nan 0.000 0.475 156 K N 2.135 122.483 120.400 -0.086 0.000 2.147 156 K HA -0.108 4.213 4.320 0.002 0.000 0.205 156 K C 1.966 178.527 176.600 -0.065 0.000 1.049 156 K CA 1.435 57.669 56.287 -0.089 0.000 0.936 156 K CB -0.041 32.372 32.500 -0.146 0.000 0.722 156 K HN 0.590 nan 8.250 nan 0.000 0.446 157 S N -0.023 115.634 115.700 -0.071 0.000 2.555 157 S HA 0.012 4.483 4.470 0.002 0.000 0.230 157 S C 1.462 176.064 174.600 0.003 0.000 0.978 157 S CA 0.728 58.907 58.200 -0.036 0.000 0.934 157 S CB 0.232 63.413 63.200 -0.031 0.000 0.766 157 S HN 0.391 nan 8.310 nan 0.000 0.533 158 A N 0.040 122.881 122.820 0.036 0.000 2.192 158 A HA 0.574 4.895 4.320 0.002 0.000 0.208 158 A C 1.577 179.199 177.584 0.063 0.000 1.220 158 A CA 0.591 52.680 52.037 0.087 0.000 0.900 158 A CB -0.385 18.771 19.000 0.260 0.000 0.937 158 A HN 0.753 nan 8.150 nan 0.000 0.487 159 G N 0.293 109.117 108.800 0.040 0.000 2.179 159 G HA2 -0.285 3.676 3.960 0.002 0.000 0.257 159 G HA3 -0.285 3.676 3.960 0.002 0.000 0.257 159 G C 0.059 174.981 174.900 0.037 0.000 1.010 159 G CA 1.124 46.238 45.100 0.025 0.000 0.736 159 G HN 1.222 nan 8.290 nan 0.000 0.513 160 K N -3.056 117.387 120.400 0.071 0.000 2.617 160 K HA 0.466 4.788 4.320 0.002 0.000 0.293 160 K C 0.189 176.873 176.600 0.139 0.000 1.034 160 K CA -0.676 55.656 56.287 0.076 0.000 0.884 160 K CB -0.009 32.527 32.500 0.061 0.000 1.541 160 K HN -0.114 nan 8.250 nan 0.000 0.409 161 N N -0.600 118.165 118.700 0.108 0.000 2.415 161 N HA 0.173 4.915 4.740 0.002 0.000 0.176 161 N C -0.530 175.126 175.510 0.243 0.000 1.042 161 N CA 0.798 53.939 53.050 0.152 0.000 0.902 161 N CB 0.641 39.166 38.487 0.063 0.000 0.986 161 N HN 0.635 nan 8.380 nan 0.000 0.447 162 A N -0.737 122.127 122.820 0.073 0.000 2.572 162 A HA 0.655 4.976 4.320 0.002 0.000 0.295 162 A C -1.703 175.614 177.584 -0.446 0.000 1.072 162 A CA -0.491 51.428 52.037 -0.197 0.000 0.691 162 A CB 1.390 20.325 19.000 -0.109 0.000 1.291 162 A HN 0.296 nan 8.150 nan 0.000 0.404 163 H N 0.283 118.766 119.070 -0.979 0.000 2.947 163 H HA 0.566 5.124 4.556 0.002 0.000 0.354 163 H C -1.881 173.189 175.328 -0.430 0.000 1.085 163 H CA -0.509 55.121 56.048 -0.696 0.000 1.253 163 H CB 1.338 30.590 29.762 -0.851 0.000 1.757 163 H HN 0.742 nan 8.280 nan 0.000 0.523 164 L N 5.099 125.836 121.223 -0.811 0.000 2.261 164 L HA 0.607 4.948 4.340 0.002 0.000 0.289 164 L C 0.247 176.763 176.870 -0.590 0.000 1.059 164 L CA 0.356 54.887 54.840 -0.514 0.000 0.816 164 L CB 0.340 42.218 42.059 -0.301 0.000 1.191 164 L HN 0.786 nan 8.230 nan 0.000 0.431 165 G N 2.981 111.655 108.800 -0.209 0.000 2.488 165 G HA2 0.539 4.500 3.960 0.002 0.000 0.318 165 G HA3 0.539 4.500 3.960 0.002 0.000 0.318 165 G C 0.266 175.180 174.900 0.023 0.000 1.188 165 G CA -0.161 44.941 45.100 0.003 0.000 0.944 165 G HN 0.909 nan 8.290 nan 0.000 0.495 166 A N -0.285 122.574 122.820 0.066 0.000 2.275 166 A HA 0.412 4.733 4.320 0.002 0.000 0.212 166 A C 1.750 179.378 177.584 0.074 0.000 1.201 166 A CA 0.875 52.944 52.037 0.054 0.000 0.843 166 A CB -0.500 18.528 19.000 0.047 0.000 0.873 166 A HN 1.047 nan 8.150 nan 0.000 0.492 167 S N -0.926 114.846 115.700 0.121 0.000 2.652 167 S HA 0.360 4.831 4.470 0.002 0.000 0.267 167 S C 0.799 175.454 174.600 0.091 0.000 1.201 167 S CA -0.545 57.737 58.200 0.136 0.000 0.996 167 S CB 0.441 63.815 63.200 0.290 0.000 1.054 167 S HN 0.255 nan 8.310 nan 0.000 0.561 168 R N -0.964 119.538 120.500 0.003 0.000 2.334 168 R HA 0.210 4.551 4.340 0.002 0.000 0.216 168 R C -0.629 175.664 176.300 -0.011 0.000 0.905 168 R CA 0.042 56.124 56.100 -0.031 0.000 1.064 168 R CB -0.592 29.653 30.300 -0.091 0.000 1.046 168 R HN 0.612 nan 8.270 nan 0.000 0.508 169 Y N 0.625 121.011 120.300 0.143 0.000 2.359 169 Y HA 0.183 4.734 4.550 0.002 0.000 0.330 169 Y C 0.374 176.353 175.900 0.132 0.000 1.143 169 Y CA -0.391 57.808 58.100 0.165 0.000 1.318 169 Y CB 0.598 39.165 38.460 0.179 0.000 1.234 169 Y HN -0.140 nan 8.280 nan 0.000 0.522 170 L N 5.205 126.595 121.223 0.278 0.000 2.406 170 L HA 0.625 4.966 4.340 0.002 0.000 0.272 170 L C -1.469 175.480 176.870 0.133 0.000 0.980 170 L CA -0.607 54.341 54.840 0.181 0.000 0.831 170 L CB 1.067 43.203 42.059 0.129 0.000 1.253 170 L HN 0.489 nan 8.230 nan 0.000 0.406 171 I N 5.146 125.788 120.570 0.120 0.000 2.339 171 I HA 0.815 4.986 4.170 0.002 0.000 0.290 171 I C -0.079 176.110 176.117 0.119 0.000 0.994 171 I CA -0.311 61.022 61.300 0.055 0.000 1.191 171 I CB 1.690 39.671 38.000 -0.033 0.000 1.343 171 I HN 0.786 nan 8.210 nan 0.000 0.458 172 A N 4.954 127.830 122.820 0.094 0.000 2.455 172 A HA 0.519 4.840 4.320 0.002 0.000 0.300 172 A C -0.755 176.890 177.584 0.103 0.000 1.040 172 A CA -0.629 51.475 52.037 0.111 0.000 0.697 172 A CB 1.370 20.435 19.000 0.109 0.000 1.265 172 A HN 0.730 nan 8.150 nan 0.000 0.407 173 E N 1.663 121.919 120.200 0.094 0.000 2.360 173 E HA 0.516 4.868 4.350 0.002 0.000 0.269 173 E C -0.077 176.574 176.600 0.086 0.000 1.022 173 E CA -0.146 56.303 56.400 0.083 0.000 0.887 173 E CB 0.827 30.564 29.700 0.063 0.000 0.990 173 E HN 0.854 nan 8.360 nan 0.000 0.426 174 A N 4.852 127.724 122.820 0.087 0.000 2.293 174 A HA 0.209 4.530 4.320 0.002 0.000 0.312 174 A C -0.919 176.628 177.584 -0.063 0.000 1.309 174 A CA -0.810 51.276 52.037 0.081 0.000 0.839 174 A CB 0.910 20.003 19.000 0.156 0.000 1.155 174 A HN 0.718 nan 8.150 nan 0.000 0.501 175 D N 2.149 122.474 120.400 -0.125 0.000 2.348 175 D HA 0.131 4.772 4.640 0.002 0.000 0.253 175 D C 1.116 177.005 176.300 -0.686 0.000 1.161 175 D CA 0.029 53.862 54.000 -0.279 0.000 0.876 175 D CB 1.009 41.708 40.800 -0.167 0.000 1.160 175 D HN 0.606 nan 8.370 nan 0.000 0.459 176 E N 2.187 121.855 120.200 -0.887 0.000 2.472 176 E HA -0.090 4.261 4.350 0.002 0.000 0.196 176 E C 1.144 177.439 176.600 -0.509 0.000 1.033 176 E CA 0.258 55.886 56.400 -1.287 0.000 0.886 176 E CB -0.331 28.561 29.700 -1.347 0.000 0.944 176 E HN 0.360 nan 8.360 nan 0.000 0.492 177 S N 2.095 117.522 115.700 -0.456 0.000 2.400 177 S HA -0.182 4.289 4.470 0.002 0.000 0.232 177 S C 1.164 175.589 174.600 -0.292 0.000 1.025 177 S CA 1.535 59.400 58.200 -0.559 0.000 0.993 177 S CB -0.370 62.221 63.200 -1.016 0.000 0.808 177 S HN 0.368 nan 8.310 nan 0.000 0.478 178 D N -0.318 119.924 120.400 -0.263 0.000 2.479 178 D HA 0.525 5.166 4.640 0.002 0.000 0.218 178 D C 0.832 177.021 176.300 -0.184 0.000 1.177 178 D CA 0.261 54.142 54.000 -0.197 0.000 0.830 178 D CB -0.110 40.615 40.800 -0.125 0.000 1.014 178 D HN 0.642 nan 8.370 nan 0.000 0.503 179 A N 0.650 123.344 122.820 -0.211 0.000 2.861 179 A HA -0.283 4.038 4.320 0.002 0.000 0.261 179 A C 1.784 179.411 177.584 0.072 0.000 1.351 179 A CA 1.431 53.428 52.037 -0.068 0.000 0.904 179 A CB -2.592 16.397 19.000 -0.018 0.000 1.076 179 A HN 0.755 nan 8.150 nan 0.000 0.729 180 S N -0.240 115.464 115.700 0.007 0.000 2.515 180 S HA 0.045 4.516 4.470 0.002 0.000 0.231 180 S C 1.464 176.233 174.600 0.282 0.000 0.987 180 S CA 1.067 59.353 58.200 0.143 0.000 0.936 180 S CB -0.770 62.508 63.200 0.130 0.000 0.766 180 S HN 1.680 nan 8.310 nan 0.000 0.528 181 F N 2.017 121.920 119.950 -0.078 0.000 2.494 181 F HA 0.265 4.793 4.527 0.002 0.000 0.298 181 F C 1.317 177.174 175.800 0.095 0.000 1.106 181 F CA -0.700 57.248 58.000 -0.086 0.000 1.452 181 F CB -1.516 37.217 39.000 -0.445 0.000 1.085 181 F HN 0.188 nan 8.300 nan 0.000 0.569 182 L N 0.084 121.450 121.223 0.238 0.000 2.353 182 L HA -0.174 4.167 4.340 0.002 0.000 0.220 182 L C 2.578 179.431 176.870 -0.029 0.000 1.133 182 L CA 0.813 55.668 54.840 0.024 0.000 0.798 182 L CB -0.988 41.048 42.059 -0.038 0.000 0.922 182 L HN 0.238 nan 8.230 nan 0.000 0.445 183 H N -0.017 119.112 119.070 0.098 0.000 2.462 183 H HA 0.099 4.656 4.556 0.002 0.000 0.292 183 H C 0.968 176.318 175.328 0.038 0.000 1.049 183 H CA 0.360 56.438 56.048 0.050 0.000 1.334 183 H CB 0.069 29.858 29.762 0.044 0.000 1.404 183 H HN 0.251 nan 8.280 nan 0.000 0.544 184 L N 1.845 123.188 121.223 0.200 0.000 2.380 184 L HA 0.086 4.427 4.340 0.002 0.000 0.273 184 L C 0.553 177.429 176.870 0.010 0.000 1.138 184 L CA 0.273 55.195 54.840 0.136 0.000 0.832 184 L CB 0.726 42.931 42.059 0.244 0.000 1.124 184 L HN 0.014 nan 8.230 nan 0.000 0.454 185 Q N 3.874 123.650 119.800 -0.039 0.000 2.788 185 Q HA 0.338 4.679 4.340 0.002 0.000 0.261 185 Q C -2.241 173.680 176.000 -0.132 0.000 1.029 185 Q CA -1.588 54.148 55.803 -0.112 0.000 0.848 185 Q CB 1.466 30.140 28.738 -0.106 0.000 1.185 185 Q HN 0.449 nan 8.270 nan 0.000 0.482 189 S N 2.583 118.268 115.700 -0.025 0.000 2.519 189 S HA 0.736 5.208 4.470 0.002 0.000 0.309 189 S C -0.446 174.225 174.600 0.118 0.000 1.100 189 S CA -0.597 57.627 58.200 0.040 0.000 1.059 189 S CB 1.971 65.110 63.200 -0.102 0.000 1.008 189 S HN 0.551 nan 8.310 nan 0.000 0.478 190 V N 3.653 123.669 119.914 0.169 0.000 2.481 190 V HA 0.497 4.619 4.120 0.002 0.000 0.286 190 V C -0.349 175.898 176.094 0.255 0.000 1.042 190 V CA -0.531 61.876 62.300 0.178 0.000 0.928 190 V CB 1.589 33.480 31.823 0.114 0.000 0.986 190 V HN 0.670 nan 8.190 nan 0.000 0.462 191 V N 3.939 124.001 119.914 0.247 0.000 2.409 191 V HA 0.250 4.371 4.120 0.002 0.000 0.290 191 V C 1.009 177.215 176.094 0.187 0.000 1.017 191 V CA 0.045 62.486 62.300 0.234 0.000 0.841 191 V CB 1.324 33.266 31.823 0.198 0.000 1.003 191 V HN 1.045 nan 8.190 nan 0.000 0.426 192 T N 1.285 115.947 114.554 0.181 0.000 2.896 192 T HA 0.064 4.416 4.350 0.002 0.000 0.263 192 T C 0.593 175.350 174.700 0.094 0.000 1.050 192 T CA 1.244 63.468 62.100 0.207 0.000 1.140 192 T CB -0.121 68.859 68.868 0.188 0.000 0.877 192 T HN 0.822 nan 8.240 nan 0.000 0.457 196 P HA 0.127 nan 4.420 nan 0.000 0.261 196 P C -1.167 176.214 177.300 0.135 0.000 1.203 196 P CA 0.673 63.784 63.100 0.019 0.000 0.767 196 P CB 0.327 31.944 31.700 -0.137 0.000 0.785 197 D N 1.323 121.796 120.400 0.122 0.000 2.583 197 D HA 0.334 4.975 4.640 0.002 0.000 0.248 197 D C -0.609 175.743 176.300 0.087 0.000 1.209 197 D CA 0.070 54.087 54.000 0.029 0.000 0.848 197 D CB 0.930 41.643 40.800 -0.144 0.000 1.431 197 D HN 0.376 nan 8.370 nan 0.000 0.436 201 T N -0.219 114.342 114.554 0.012 0.000 2.833 201 T HA -0.128 4.223 4.350 0.002 0.000 0.269 201 T C 1.066 175.519 174.700 -0.412 0.000 1.054 201 T CA 1.124 63.077 62.100 -0.246 0.000 1.135 201 T CB -0.181 68.442 68.868 -0.407 0.000 0.869 201 T HN 0.231 nan 8.240 nan 0.000 0.466 202 Y N 0.742 121.092 120.300 0.083 0.000 2.658 202 Y HA 0.323 4.874 4.550 0.003 0.000 0.276 202 Y C 0.621 176.568 175.900 0.079 0.000 1.167 202 Y CA -0.700 57.448 58.100 0.080 0.000 1.230 202 Y CB -0.333 38.190 38.460 0.105 0.000 1.144 202 Y HN 0.203 nan 8.280 nan 0.000 0.529 203 E N -0.240 120.040 120.200 0.133 0.000 2.440 203 E HA -0.288 4.064 4.350 0.002 0.000 0.246 203 E C 1.475 178.154 176.600 0.132 0.000 1.165 203 E CA 0.560 57.024 56.400 0.106 0.000 0.726 203 E CB -1.479 28.269 29.700 0.080 0.000 1.271 203 E HN 0.794 nan 8.360 nan 0.000 0.397 204 G N 0.592 109.493 108.800 0.168 0.000 2.180 204 G HA2 -0.357 3.604 3.960 0.002 0.000 0.263 204 G HA3 -0.357 3.604 3.960 0.002 0.000 0.263 204 G C -0.177 174.827 174.900 0.172 0.000 0.989 204 G CA 0.475 45.671 45.100 0.160 0.000 0.692 204 G HN 0.428 nan 8.290 nan 0.000 0.526 205 D N -0.946 119.575 120.400 0.201 0.000 2.427 205 D HA 0.442 5.083 4.640 0.002 0.000 0.226 205 D C 0.952 177.386 176.300 0.223 0.000 1.076 205 D CA -1.018 53.094 54.000 0.187 0.000 0.849 205 D CB 0.109 40.996 40.800 0.146 0.000 1.052 205 D HN 0.046 nan 8.370 nan 0.000 0.515 206 F N 2.987 122.965 119.950 0.047 0.000 2.269 206 F HA -0.139 4.389 4.527 0.002 0.000 0.301 206 F C 1.856 177.652 175.800 -0.006 0.000 1.082 206 F CA 0.867 58.869 58.000 0.003 0.000 1.360 206 F CB 0.612 39.610 39.000 -0.004 0.000 1.041 206 F HN 0.347 nan 8.300 nan 0.000 0.512 207 E N 0.933 121.144 120.200 0.019 0.000 2.153 207 E HA -0.126 4.225 4.350 0.002 0.000 0.194 207 E C 0.905 177.465 176.600 -0.066 0.000 0.988 207 E CA 0.768 57.131 56.400 -0.061 0.000 0.811 207 E CB -0.226 29.486 29.700 0.020 0.000 0.746 207 E HN 0.463 nan 8.360 nan 0.000 0.466 211 A N 1.249 124.037 122.820 -0.054 0.000 1.940 211 A HA -0.148 4.173 4.320 0.002 0.000 0.219 211 A C 1.962 179.566 177.584 0.033 0.000 1.176 211 A CA 2.404 54.438 52.037 -0.005 0.000 0.631 211 A CB -0.882 18.129 19.000 0.017 0.000 0.814 211 A HN 0.311 nan 8.150 nan 0.000 0.446 212 T N -1.578 113.030 114.554 0.090 0.000 2.777 212 T HA -0.116 4.236 4.350 0.002 0.000 0.266 212 T C 1.708 176.482 174.700 0.123 0.000 1.040 212 T CA 1.611 63.802 62.100 0.151 0.000 1.141 212 T CB -0.405 68.653 68.868 0.317 0.000 0.868 212 T HN 0.550 nan 8.240 nan 0.000 0.444 213 Y N 0.931 121.280 120.300 0.082 0.000 2.224 213 Y HA -0.107 4.445 4.550 0.003 0.000 0.289 213 Y C 2.530 178.418 175.900 -0.020 0.000 1.146 213 Y CA 0.555 58.714 58.100 0.097 0.000 1.182 213 Y CB -0.525 37.968 38.460 0.055 0.000 0.983 213 Y HN -0.003 nan 8.280 nan 0.000 0.524 214 V N 0.063 119.997 119.914 0.034 0.000 2.295 214 V HA -0.318 3.803 4.120 0.002 0.000 0.246 214 V C 2.195 178.038 176.094 -0.418 0.000 1.049 214 V CA 1.886 64.053 62.300 -0.223 0.000 1.024 214 V CB -0.502 31.178 31.823 -0.238 0.000 0.648 214 V HN 0.333 nan 8.190 nan 0.000 0.447 215 K N -0.731 119.542 120.400 -0.211 0.000 2.063 215 K HA -0.233 4.089 4.320 0.002 0.000 0.208 215 K C 2.101 178.622 176.600 -0.132 0.000 1.048 215 K CA 2.131 58.340 56.287 -0.130 0.000 0.928 215 K CB -0.398 32.086 32.500 -0.027 0.000 0.713 215 K HN 0.513 nan 8.250 nan 0.000 0.442 216 F N 1.666 121.402 119.950 -0.357 0.000 2.095 216 F HA -0.215 4.313 4.527 0.002 0.000 0.298 216 F C 1.811 177.421 175.800 -0.318 0.000 1.104 216 F CA 1.300 58.982 58.000 -0.530 0.000 1.232 216 F CB -0.106 38.225 39.000 -1.115 0.000 0.987 216 F HN -0.087 nan 8.300 nan 0.000 0.475 217 L N -0.424 120.571 121.223 -0.380 0.000 2.131 217 L HA -0.247 4.094 4.340 0.002 0.000 0.210 217 L C 2.172 178.920 176.870 -0.203 0.000 1.092 217 L CA 1.395 56.018 54.840 -0.361 0.000 0.759 217 L CB -1.015 40.956 42.059 -0.146 0.000 0.903 217 L HN 0.282 nan 8.230 nan 0.000 0.435 218 H N -0.699 118.251 119.070 -0.201 0.000 2.561 218 H HA -0.060 4.497 4.556 0.002 0.000 0.278 218 H C 1.572 176.784 175.328 -0.194 0.000 1.014 218 H CA 0.064 56.018 56.048 -0.156 0.000 1.211 218 H CB 0.190 29.895 29.762 -0.095 0.000 1.365 218 H HN 0.352 nan 8.280 nan 0.000 0.594 219 N N 0.593 119.189 118.700 -0.172 0.000 2.396 219 N HA -0.039 4.703 4.740 0.002 0.000 0.180 219 N C 0.299 175.659 175.510 -0.249 0.000 1.028 219 N CA 0.317 53.236 53.050 -0.219 0.000 0.893 219 N CB 0.019 38.329 38.487 -0.296 0.000 0.967 219 N HN 0.270 nan 8.380 nan 0.000 0.440 220 L N 2.467 123.519 121.223 -0.285 0.000 2.514 220 L HA 0.062 4.403 4.340 0.002 0.000 0.280 220 L C -1.667 175.022 176.870 -0.302 0.000 1.223 220 L CA -1.216 53.448 54.840 -0.293 0.000 0.864 220 L CB -0.034 41.871 42.059 -0.257 0.000 1.118 220 L HN 0.021 nan 8.230 nan 0.000 0.494 221 P HA -0.072 nan 4.420 nan 0.000 0.271 221 P C 0.595 177.529 177.300 -0.610 0.000 1.233 221 P CA -0.220 62.494 63.100 -0.644 0.000 0.789 221 P CB 0.321 31.244 31.700 -1.295 0.000 0.951 222 F N 0.219 119.943 119.950 -0.377 0.000 2.236 222 F HA -0.187 4.341 4.527 0.002 0.000 0.302 222 F C 1.789 177.519 175.800 -0.116 0.000 1.073 222 F CA 0.839 58.735 58.000 -0.174 0.000 1.336 222 F CB -1.819 37.152 39.000 -0.048 0.000 1.040 222 F HN 0.286 nan 8.300 nan 0.000 0.507 223 Y N -0.046 119.860 120.300 -0.656 0.000 2.457 223 Y HA 0.624 5.175 4.550 0.002 0.000 0.263 223 Y C 1.259 177.034 175.900 -0.210 0.000 1.164 223 Y CA -1.028 56.827 58.100 -0.408 0.000 1.274 223 Y CB -1.032 37.053 38.460 -0.625 0.000 1.097 223 Y HN 0.052 nan 8.280 nan 0.000 0.523 224 G N 1.425 109.975 108.800 -0.416 0.000 2.651 224 G HA2 0.363 4.324 3.960 0.002 0.000 0.260 224 G HA3 0.363 4.324 3.960 0.002 0.000 0.260 224 G C -1.495 173.358 174.900 -0.078 0.000 1.216 224 G CA -0.512 44.448 45.100 -0.235 0.000 0.913 224 G HN 0.268 nan 8.290 nan 0.000 0.535 225 L N 0.137 121.334 121.223 -0.044 0.000 2.381 225 L HA 0.756 5.097 4.340 0.002 0.000 0.274 225 L C 0.068 176.939 176.870 0.002 0.000 0.988 225 L CA -0.723 54.124 54.840 0.012 0.000 0.824 225 L CB 1.688 43.783 42.059 0.060 0.000 1.263 225 L HN 0.710 nan 8.230 nan 0.000 0.410 226 A N 5.004 127.837 122.820 0.022 0.000 2.276 226 A HA 0.775 5.096 4.320 0.002 0.000 0.316 226 A C -0.701 176.934 177.584 0.085 0.000 1.229 226 A CA -0.454 51.607 52.037 0.040 0.000 0.851 226 A CB 0.905 19.923 19.000 0.031 0.000 1.165 226 A HN 0.576 nan 8.150 nan 0.000 0.513 230 A N 2.607 125.197 122.820 -0.383 0.000 2.125 230 A HA -0.037 4.284 4.320 0.002 0.000 0.219 230 A C 1.393 178.913 177.584 -0.107 0.000 1.156 230 A CA 2.155 54.094 52.037 -0.163 0.000 0.671 230 A CB -0.183 18.760 19.000 -0.095 0.000 0.794 230 A HN 0.899 nan 8.150 nan 0.000 0.459 231 D N -0.080 120.246 120.400 -0.122 0.000 2.349 231 D HA 0.027 4.668 4.640 0.002 0.000 0.215 231 D C -0.070 176.201 176.300 -0.049 0.000 1.016 231 D CA 0.278 54.250 54.000 -0.046 0.000 0.870 231 D CB 0.079 40.883 40.800 0.007 0.000 0.917 231 D HN 0.360 nan 8.370 nan 0.000 0.524 232 D N 1.036 121.391 120.400 -0.076 0.000 2.359 232 D HA 0.076 4.717 4.640 0.002 0.000 0.230 232 D C -1.503 174.771 176.300 -0.043 0.000 1.118 232 D CA -1.897 52.071 54.000 -0.054 0.000 0.844 232 D CB 2.306 43.065 40.800 -0.068 0.000 1.059 232 D HN -0.077 nan 8.370 nan 0.000 0.493 233 P HA -0.108 nan 4.420 nan 0.000 0.219 233 P C 1.620 178.917 177.300 -0.006 0.000 1.150 233 P CA 0.334 63.426 63.100 -0.013 0.000 0.814 233 P CB 0.585 32.282 31.700 -0.005 0.000 0.787 234 V N 0.363 120.280 119.914 0.006 0.000 2.307 234 V HA -0.166 3.955 4.120 0.002 0.000 0.245 234 V C 2.060 178.127 176.094 -0.045 0.000 1.045 234 V CA 1.132 63.438 62.300 0.010 0.000 1.024 234 V CB -0.970 30.899 31.823 0.077 0.000 0.651 234 V HN 0.012 nan 8.190 nan 0.000 0.449 238 L N 1.584 122.792 121.223 -0.025 0.000 2.395 238 L HA 0.015 4.356 4.340 0.002 0.000 0.218 238 L C 2.240 179.105 176.870 -0.009 0.000 1.130 238 L CA 0.286 55.110 54.840 -0.027 0.000 0.826 238 L CB -0.078 41.949 42.059 -0.053 0.000 0.941 238 L HN -0.001 nan 8.230 nan 0.000 0.451 239 V N 0.963 120.875 119.914 -0.003 0.000 2.278 239 V HA -0.228 3.893 4.120 0.002 0.000 0.251 239 V C -0.051 176.057 176.094 0.023 0.000 1.062 239 V CA 2.178 64.484 62.300 0.011 0.000 1.038 239 V CB -1.561 30.268 31.823 0.011 0.000 0.646 239 V HN 0.384 nan 8.190 nan 0.000 0.447 240 P HA -0.149 nan 4.420 nan 0.000 0.221 240 P C 1.413 178.739 177.300 0.044 0.000 1.145 240 P CA 1.349 64.466 63.100 0.029 0.000 0.795 240 P CB -0.077 31.636 31.700 0.021 0.000 0.775 241 K N -1.147 119.279 120.400 0.045 0.000 2.418 241 K HA 0.044 4.365 4.320 0.002 0.000 0.195 241 K C 1.667 178.359 176.600 0.153 0.000 1.035 241 K CA 0.337 56.669 56.287 0.076 0.000 1.003 241 K CB -0.147 32.372 32.500 0.031 0.000 0.793 241 K HN 0.029 nan 8.250 nan 0.000 0.494 242 V N 0.544 120.522 119.914 0.107 0.000 2.379 242 V HA -0.090 4.031 4.120 0.002 0.000 0.245 242 V C 1.488 177.712 176.094 0.217 0.000 1.044 242 V CA 1.757 64.136 62.300 0.132 0.000 1.036 242 V CB -0.777 31.080 31.823 0.058 0.000 0.664 242 V HN 0.603 nan 8.190 nan 0.000 0.453 243 G N 0.634 109.505 108.800 0.119 0.000 2.179 243 G HA2 -0.251 3.711 3.960 0.002 0.000 0.257 243 G HA3 -0.251 3.711 3.960 0.002 0.000 0.257 243 G C 0.183 175.109 174.900 0.044 0.000 1.010 243 G CA 0.499 45.633 45.100 0.058 0.000 0.736 243 G HN 0.441 nan 8.290 nan 0.000 0.513 244 R N -0.755 119.778 120.500 0.055 0.000 2.836 244 R HA 0.460 4.801 4.340 0.002 0.000 0.269 244 R C 0.082 176.409 176.300 0.045 0.000 1.010 244 R CA -1.008 55.114 56.100 0.038 0.000 0.930 244 R CB 0.487 30.789 30.300 0.005 0.000 1.218 244 R HN 0.379 nan 8.270 nan 0.000 0.473 245 Q N 1.243 121.072 119.800 0.049 0.000 2.263 245 Q HA 0.117 4.459 4.340 0.002 0.000 0.289 245 Q C -0.911 175.124 176.000 0.057 0.000 1.061 245 Q CA 0.327 56.165 55.803 0.059 0.000 0.927 245 Q CB 0.625 29.406 28.738 0.070 0.000 1.154 245 Q HN 0.272 nan 8.270 nan 0.000 0.378 246 V N 6.339 126.291 119.914 0.063 0.000 2.417 246 V HA 0.383 4.505 4.120 0.002 0.000 0.291 246 V C -0.120 176.029 176.094 0.092 0.000 1.024 246 V CA -0.704 61.638 62.300 0.069 0.000 0.861 246 V CB 1.603 33.459 31.823 0.055 0.000 0.985 246 V HN 0.711 nan 8.190 nan 0.000 0.436 247 I N 4.537 125.180 120.570 0.122 0.000 2.404 247 I HA 0.485 4.656 4.170 0.002 0.000 0.293 247 I C 0.469 176.706 176.117 0.200 0.000 0.992 247 I CA 0.018 61.425 61.300 0.178 0.000 1.149 247 I CB 2.270 40.407 38.000 0.228 0.000 1.315 247 I HN 0.788 nan 8.210 nan 0.000 0.446 248 T N 4.171 118.844 114.554 0.199 0.000 2.950 248 T HA 0.766 5.118 4.350 0.002 0.000 0.288 248 T C -0.790 174.069 174.700 0.264 0.000 1.035 248 T CA -0.534 61.656 62.100 0.150 0.000 1.028 248 T CB 2.067 70.955 68.868 0.033 0.000 1.109 248 T HN 0.463 nan 8.240 nan 0.000 0.514 249 Y N -1.407 118.944 120.300 0.086 0.000 2.571 249 Y HA 0.832 5.384 4.550 0.002 0.000 0.341 249 Y C -0.120 175.787 175.900 0.011 0.000 1.076 249 Y CA -0.601 57.542 58.100 0.072 0.000 1.029 249 Y CB 1.299 39.778 38.460 0.031 0.000 1.308 249 Y HN 1.280 nan 8.280 nan 0.000 0.461 250 G N 0.735 109.564 108.800 0.049 0.000 2.340 250 G HA2 0.012 3.973 3.960 0.002 0.000 0.282 250 G HA3 0.012 3.973 3.960 0.002 0.000 0.282 250 G C -0.968 173.851 174.900 -0.135 0.000 1.312 250 G CA -0.528 44.527 45.100 -0.075 0.000 0.942 250 G HN 0.609 nan 8.290 nan 0.000 0.495 251 F N 1.269 121.209 119.950 -0.015 0.000 2.558 251 F HA 0.289 4.817 4.527 0.001 0.000 0.298 251 F C 2.210 178.010 175.800 0.000 0.000 1.119 251 F CA 1.063 59.060 58.000 -0.005 0.000 1.451 251 F CB 0.270 39.254 39.000 -0.027 0.000 1.091 251 F HN 0.386 nan 8.300 nan 0.000 0.563 252 S N 0.794 116.575 115.700 0.136 0.000 2.558 252 S HA -0.098 4.374 4.470 0.002 0.000 0.293 252 S C 1.451 176.086 174.600 0.058 0.000 1.292 252 S CA -0.301 57.944 58.200 0.075 0.000 1.063 252 S CB 0.566 63.784 63.200 0.030 0.000 0.831 252 S HN 0.436 nan 8.310 nan 0.000 0.499 253 E N 2.388 122.618 120.200 0.051 0.000 2.209 253 E HA -0.202 4.149 4.350 0.002 0.000 0.196 253 E C 1.779 178.393 176.600 0.024 0.000 0.993 253 E CA 1.145 57.568 56.400 0.038 0.000 0.819 253 E CB 0.026 29.746 29.700 0.032 0.000 0.745 253 E HN 0.776 nan 8.360 nan 0.000 0.477 254 Q N -0.309 119.502 119.800 0.019 0.000 2.425 254 Q HA 0.145 4.486 4.340 0.002 0.000 0.204 254 Q C -0.187 175.820 176.000 0.012 0.000 0.933 254 Q CA -0.162 55.648 55.803 0.012 0.000 0.939 254 Q CB 0.453 29.196 28.738 0.008 0.000 1.044 254 Q HN 0.116 nan 8.270 nan 0.000 0.513 255 A N 0.784 123.614 122.820 0.017 0.000 2.477 255 A HA -0.023 4.298 4.320 0.002 0.000 0.246 255 A C 0.325 177.927 177.584 0.029 0.000 1.078 255 A CA -0.150 51.905 52.037 0.031 0.000 0.770 255 A CB 0.293 19.316 19.000 0.038 0.000 1.011 255 A HN 0.300 nan 8.150 nan 0.000 0.494 256 D N 0.392 120.826 120.400 0.056 0.000 2.117 256 D HA -0.093 4.548 4.640 0.002 0.000 0.198 256 D C -0.376 175.823 176.300 -0.167 0.000 0.982 256 D CA 1.892 55.879 54.000 -0.022 0.000 0.828 256 D CB -0.022 40.817 40.800 0.065 0.000 0.967 256 D HN 0.677 nan 8.370 nan 0.000 0.464 257 Y N 0.489 120.829 120.300 0.067 0.000 2.587 257 Y HA 0.291 4.842 4.550 0.002 0.000 0.328 257 Y C 0.426 176.353 175.900 0.045 0.000 0.980 257 Y CA -0.711 57.427 58.100 0.063 0.000 1.272 257 Y CB 0.974 39.484 38.460 0.083 0.000 1.094 257 Y HN -0.330 nan 8.280 nan 0.000 0.503 258 R N 3.920 124.475 120.500 0.091 0.000 2.265 258 R HA 0.569 4.910 4.340 0.002 0.000 0.319 258 R C -1.042 175.258 176.300 0.001 0.000 1.006 258 R CA -0.511 55.609 56.100 0.033 0.000 0.880 258 R CB 0.650 30.963 30.300 0.021 0.000 1.077 258 R HN 0.661 nan 8.270 nan 0.000 0.454 259 I N 3.635 124.117 120.570 -0.146 0.000 2.365 259 I HA 0.230 4.401 4.170 0.002 0.000 0.291 259 I C 0.147 176.211 176.117 -0.088 0.000 1.004 259 I CA 0.009 61.155 61.300 -0.257 0.000 1.311 259 I CB 1.399 38.837 38.000 -0.937 0.000 1.401 259 I HN 0.542 nan 8.210 nan 0.000 0.491 260 E N 4.170 124.430 120.200 0.100 0.000 2.369 260 E HA 0.259 4.610 4.350 0.002 0.000 0.270 260 E C -1.129 175.628 176.600 0.262 0.000 0.909 260 E CA -0.786 55.730 56.400 0.193 0.000 0.775 260 E CB 1.634 31.414 29.700 0.134 0.000 1.270 260 E HN 0.509 nan 8.360 nan 0.000 0.445 261 D N 0.846 121.401 120.400 0.258 0.000 2.723 261 D HA -0.244 4.398 4.640 0.002 0.000 0.236 261 D C -0.855 175.611 176.300 0.276 0.000 1.138 261 D CA 0.903 55.033 54.000 0.216 0.000 0.676 261 D CB -1.700 39.183 40.800 0.140 0.000 1.069 261 D HN 0.399 nan 8.370 nan 0.000 0.430 262 Y N 1.069 121.545 120.300 0.294 0.000 2.544 262 Y HA 0.229 4.779 4.550 0.000 0.000 0.330 262 Y C 0.564 176.592 175.900 0.213 0.000 1.136 262 Y CA 0.516 58.806 58.100 0.316 0.000 1.417 262 Y CB 0.581 39.274 38.460 0.389 0.000 1.229 262 Y HN -0.045 nan 8.280 nan 0.000 0.532 263 E N 5.537 125.413 120.200 -0.540 0.000 2.275 263 E HA 0.149 4.500 4.350 0.002 0.000 0.270 263 E C -1.538 174.729 176.600 -0.555 0.000 0.882 263 E CA -1.013 55.169 56.400 -0.363 0.000 0.758 263 E CB 2.059 31.668 29.700 -0.151 0.000 1.195 263 E HN 0.604 nan 8.360 nan 0.000 0.419 264 Q N 2.061 121.719 119.800 -0.237 0.000 2.290 264 Q HA 0.298 4.640 4.340 0.002 0.000 0.259 264 Q C -1.104 174.899 176.000 0.005 0.000 0.941 264 Q CA -0.446 55.334 55.803 -0.038 0.000 0.912 264 Q CB 1.063 29.905 28.738 0.173 0.000 1.244 264 Q HN 0.572 nan 8.270 nan 0.000 0.441 265 T N 1.310 115.898 114.554 0.056 0.000 2.815 265 T HA 0.646 4.997 4.350 0.002 0.000 0.289 265 T C 0.732 175.422 174.700 -0.016 0.000 1.000 265 T CA 0.020 62.128 62.100 0.013 0.000 0.958 265 T CB 1.426 70.312 68.868 0.031 0.000 0.944 265 T HN 0.904 nan 8.240 nan 0.000 0.442 266 G N 3.311 112.032 108.800 -0.132 0.000 2.602 266 G HA2 -0.293 3.669 3.960 0.002 0.000 0.310 266 G HA3 -0.293 3.669 3.960 0.002 0.000 0.310 266 G C 0.061 174.672 174.900 -0.481 0.000 1.183 266 G CA 0.602 45.517 45.100 -0.308 0.000 0.979 266 G HN 0.789 nan 8.290 nan 0.000 0.545 267 F N 2.466 122.489 119.950 0.121 0.000 2.791 267 F HA 0.446 4.974 4.527 0.002 0.000 0.308 267 F C 1.060 176.880 175.800 0.035 0.000 1.138 267 F CA -0.188 57.849 58.000 0.063 0.000 1.294 267 F CB 0.838 39.897 39.000 0.097 0.000 0.975 267 F HN 0.210 nan 8.300 nan 0.000 0.512 268 Q N 0.410 120.295 119.800 0.142 0.000 2.306 268 Q HA 0.609 4.951 4.340 0.002 0.000 0.265 268 Q C 0.075 176.099 176.000 0.040 0.000 1.022 268 Q CA -0.844 54.997 55.803 0.065 0.000 0.853 268 Q CB 2.510 31.244 28.738 -0.005 0.000 1.327 268 Q HN 0.332 nan 8.270 nan 0.000 0.449 269 G N 1.077 109.886 108.800 0.015 0.000 2.400 269 G HA2 0.477 4.439 3.960 0.002 0.000 0.333 269 G HA3 0.477 4.439 3.960 0.002 0.000 0.333 269 G C -1.005 173.784 174.900 -0.185 0.000 1.143 269 G CA -0.235 44.879 45.100 0.023 0.000 0.914 269 G HN 0.532 nan 8.290 nan 0.000 0.480 270 H N 0.650 119.628 119.070 -0.154 0.000 2.589 270 H HA 0.474 5.031 4.556 0.002 0.000 0.351 270 H C -1.100 174.242 175.328 0.023 0.000 1.074 270 H CA -0.209 55.768 56.048 -0.117 0.000 1.203 270 H CB 2.227 31.910 29.762 -0.132 0.000 1.558 270 H HN 0.715 nan 8.280 nan 0.000 0.522 271 Y N -1.193 119.145 120.300 0.064 0.000 2.741 271 Y HA 0.411 4.962 4.550 0.001 0.000 0.339 271 Y C -1.234 174.705 175.900 0.065 0.000 1.226 271 Y CA -1.104 57.054 58.100 0.097 0.000 1.072 271 Y CB 0.763 39.346 38.460 0.206 0.000 1.331 271 Y HN 0.312 nan 8.280 nan 0.000 0.453 272 T N 1.914 116.603 114.554 0.226 0.000 2.859 272 T HA 0.649 5.000 4.350 0.002 0.000 0.281 272 T C -1.030 173.788 174.700 0.196 0.000 1.005 272 T CA -0.697 61.475 62.100 0.121 0.000 1.025 272 T CB 1.625 70.545 68.868 0.088 0.000 0.977 272 T HN 0.581 nan 8.240 nan 0.000 0.458 273 V N 4.504 124.502 119.914 0.141 0.000 2.417 273 V HA 0.437 4.558 4.120 0.002 0.000 0.291 273 V C -0.399 175.752 176.094 0.094 0.000 1.024 273 V CA -0.961 61.430 62.300 0.152 0.000 0.861 273 V CB 1.443 33.384 31.823 0.197 0.000 0.985 273 V HN 0.709 nan 8.190 nan 0.000 0.436 274 I N 3.723 124.332 120.570 0.065 0.000 2.321 274 I HA 0.373 4.544 4.170 0.002 0.000 0.291 274 I C 0.351 176.430 176.117 -0.064 0.000 0.998 274 I CA -0.211 61.095 61.300 0.009 0.000 1.227 274 I CB 0.878 38.879 38.000 0.002 0.000 1.368 274 I HN 0.552 nan 8.210 nan 0.000 0.466 275 C N 7.883 127.112 119.300 -0.118 0.000 2.422 275 C HA 0.260 4.722 4.460 0.002 0.000 0.364 275 C C -0.488 174.296 174.990 -0.344 0.000 1.251 275 C CA -0.619 58.184 59.018 -0.357 0.000 2.441 275 C CB 0.799 28.429 27.740 -0.184 0.000 2.393 275 C HN 0.587 nan 8.230 nan 0.000 0.606 276 P HA -0.123 nan 4.420 nan 0.000 0.217 276 P C 0.805 178.023 177.300 -0.136 0.000 1.148 276 P CA 1.434 64.376 63.100 -0.262 0.000 0.828 276 P CB -0.133 31.422 31.700 -0.242 0.000 0.783 277 N N -1.665 116.966 118.700 -0.114 0.000 2.313 277 N HA 0.007 4.748 4.740 0.002 0.000 0.207 277 N C 0.124 175.604 175.510 -0.050 0.000 1.141 277 N CA -0.106 52.908 53.050 -0.060 0.000 0.830 277 N CB -1.293 37.172 38.487 -0.037 0.000 1.008 277 N HN -0.080 nan 8.380 nan 0.000 0.481 278 N N 0.075 118.736 118.700 -0.064 0.000 2.800 278 N HA -0.216 4.525 4.740 0.002 0.000 0.250 278 N C -0.969 174.523 175.510 -0.030 0.000 1.078 278 N CA 0.757 53.781 53.050 -0.043 0.000 0.804 278 N CB -1.238 37.233 38.487 -0.027 0.000 1.135 278 N HN 0.671 nan 8.380 nan 0.000 0.565 279 E N 0.718 120.897 120.200 -0.034 0.000 2.366 279 E HA 0.056 4.407 4.350 0.002 0.000 0.266 279 E C -0.341 176.257 176.600 -0.004 0.000 1.015 279 E CA 0.018 56.410 56.400 -0.014 0.000 0.906 279 E CB 0.428 30.125 29.700 -0.005 0.000 0.979 279 E HN 0.166 nan 8.360 nan 0.000 0.443 280 R N 4.643 125.144 120.500 0.003 0.000 2.255 280 R HA 0.436 4.777 4.340 0.002 0.000 0.326 280 R C -0.420 175.887 176.300 0.011 0.000 0.986 280 R CA -0.442 55.665 56.100 0.011 0.000 0.847 280 R CB 0.964 31.270 30.300 0.010 0.000 1.111 280 R HN 0.458 nan 8.270 nan 0.000 0.452 281 I N 2.791 123.372 120.570 0.018 0.000 2.410 281 I HA 0.217 4.389 4.170 0.002 0.000 0.286 281 I C -0.544 175.555 176.117 -0.030 0.000 1.009 281 I CA -0.784 60.515 61.300 -0.002 0.000 1.111 281 I CB 1.921 39.928 38.000 0.012 0.000 1.262 281 I HN 0.513 nan 8.210 nan 0.000 0.443 282 N N 5.350 124.020 118.700 -0.050 0.000 2.408 282 N HA 0.358 5.099 4.740 0.002 0.000 0.257 282 N C -0.935 174.477 175.510 -0.163 0.000 1.064 282 N CA -0.323 52.676 53.050 -0.085 0.000 0.952 282 N CB 1.500 39.959 38.487 -0.047 0.000 1.093 282 N HN 0.221 nan 8.380 nan 0.000 0.490 283 V N 2.970 122.688 119.914 -0.327 0.000 2.459 283 V HA 0.357 4.478 4.120 0.002 0.000 0.295 283 V C -0.400 175.403 176.094 -0.485 0.000 1.029 283 V CA -0.855 61.157 62.300 -0.480 0.000 0.874 283 V CB 1.470 32.789 31.823 -0.840 0.000 0.985 283 V HN 0.443 nan 8.190 nan 0.000 0.438 284 L N 6.195 127.223 121.223 -0.325 0.000 2.280 284 L HA 0.677 5.018 4.340 0.002 0.000 0.287 284 L C -0.920 175.814 176.870 -0.227 0.000 1.023 284 L CA -0.194 54.449 54.840 -0.329 0.000 0.819 284 L CB 1.261 43.180 42.059 -0.233 0.000 1.212 284 L HN 0.620 nan 8.230 nan 0.000 0.420 285 L N 4.743 125.860 121.223 -0.177 0.000 2.313 285 L HA 0.503 4.844 4.340 0.002 0.000 0.283 285 L C 0.527 177.415 176.870 0.030 0.000 1.013 285 L CA 0.065 54.907 54.840 0.005 0.000 0.816 285 L CB 1.409 43.582 42.059 0.190 0.000 1.236 285 L HN 0.737 nan 8.230 nan 0.000 0.419 286 N N 2.696 121.450 118.700 0.090 0.000 2.434 286 N HA 0.095 4.836 4.740 0.002 0.000 0.196 286 N C -0.742 174.846 175.510 0.129 0.000 1.183 286 N CA 0.384 53.491 53.050 0.094 0.000 0.849 286 N CB 0.017 38.561 38.487 0.095 0.000 0.992 286 N HN 0.416 nan 8.380 nan 0.000 0.460 287 V N -2.885 117.121 119.914 0.154 0.000 2.962 287 V HA 0.770 4.891 4.120 0.002 0.000 0.313 287 V C -2.749 173.388 176.094 0.072 0.000 1.099 287 V CA -2.325 60.047 62.300 0.121 0.000 0.971 287 V CB 2.149 34.079 31.823 0.178 0.000 1.028 287 V HN -0.146 nan 8.190 nan 0.000 0.430 288 P HA 0.655 nan 4.420 nan 0.000 0.281 288 P C 0.155 177.387 177.300 -0.114 0.000 1.264 288 P CA 0.585 63.679 63.100 -0.011 0.000 0.824 288 P CB 1.508 33.157 31.700 -0.085 0.000 1.092 289 G N 0.933 109.762 108.800 0.049 0.000 2.785 289 G HA2 -0.179 3.783 3.960 0.002 0.000 0.686 289 G HA3 -0.179 3.783 3.960 0.002 0.000 0.686 289 G C 0.479 175.195 174.900 -0.305 0.000 1.155 289 G CA -0.373 44.682 45.100 -0.074 0.000 0.760 289 G HN 0.473 nan 8.290 nan 0.000 0.624 290 K N 0.424 120.584 120.400 -0.399 0.000 2.147 290 K HA -0.148 4.173 4.320 0.002 0.000 0.205 290 K C 2.299 178.795 176.600 -0.173 0.000 1.049 290 K CA 1.744 57.713 56.287 -0.530 0.000 0.936 290 K CB -0.192 32.023 32.500 -0.474 0.000 0.722 290 K HN 0.833 nan 8.250 nan 0.000 0.446 291 H N 0.330 119.334 119.070 -0.109 0.000 2.387 291 H HA -0.025 4.532 4.556 0.001 0.000 0.299 291 H C 1.339 176.663 175.328 -0.007 0.000 1.090 291 H CA 1.059 57.088 56.048 -0.032 0.000 1.332 291 H CB -0.302 29.444 29.762 -0.027 0.000 1.386 291 H HN 0.140 nan 8.280 nan 0.000 0.516 292 N N 1.286 119.662 118.700 -0.539 0.000 2.300 292 N HA 0.022 4.763 4.740 0.002 0.000 0.179 292 N C 2.177 177.601 175.510 -0.144 0.000 1.016 292 N CA 1.220 54.102 53.050 -0.280 0.000 0.876 292 N CB -0.236 38.082 38.487 -0.282 0.000 0.979 292 N HN 0.510 nan 8.380 nan 0.000 0.432 293 A N 1.426 124.130 122.820 -0.194 0.000 1.902 293 A HA -0.074 4.247 4.320 0.002 0.000 0.217 293 A C 2.359 179.777 177.584 -0.276 0.000 1.181 293 A CA 0.885 52.721 52.037 -0.336 0.000 0.623 293 A CB -0.687 17.903 19.000 -0.683 0.000 0.818 293 A HN 0.187 nan 8.150 nan 0.000 0.443 294 L N -0.310 120.839 121.223 -0.123 0.000 1.989 294 L HA -0.241 4.100 4.340 0.002 0.000 0.211 294 L C 2.419 179.304 176.870 0.024 0.000 1.071 294 L CA 1.515 56.394 54.840 0.065 0.000 0.749 294 L CB -0.771 41.404 42.059 0.192 0.000 0.890 294 L HN 0.369 nan 8.230 nan 0.000 0.431 295 N N 0.374 119.068 118.700 -0.010 0.000 2.094 295 N HA -0.194 4.547 4.740 0.002 0.000 0.191 295 N C 1.750 177.140 175.510 -0.200 0.000 1.023 295 N CA 1.715 54.717 53.050 -0.079 0.000 0.857 295 N CB -0.402 38.064 38.487 -0.036 0.000 1.013 295 N HN 0.357 nan 8.380 nan 0.000 0.426 296 A N -0.199 122.522 122.820 -0.165 0.000 2.066 296 A HA -0.011 4.310 4.320 0.002 0.000 0.218 296 A C 2.173 179.657 177.584 -0.167 0.000 1.157 296 A CA 1.393 53.332 52.037 -0.163 0.000 0.670 296 A CB -0.476 18.500 19.000 -0.040 0.000 0.804 296 A HN 0.292 nan 8.150 nan 0.000 0.453 297 T N -0.340 114.088 114.554 -0.210 0.000 3.009 297 T HA 0.204 4.556 4.350 0.002 0.000 0.258 297 T C 2.252 176.590 174.700 -0.603 0.000 1.063 297 T CA 0.838 62.794 62.100 -0.241 0.000 1.139 297 T CB -0.210 68.610 68.868 -0.079 0.000 0.890 297 T HN 0.531 nan 8.240 nan 0.000 0.471 298 A N 1.975 124.123 122.820 -1.120 0.000 1.892 298 A HA -0.005 4.316 4.320 0.002 0.000 0.218 298 A C 2.627 179.891 177.584 -0.534 0.000 1.188 298 A CA 2.086 53.407 52.037 -1.194 0.000 0.631 298 A CB -1.227 17.199 19.000 -0.956 0.000 0.822 298 A HN 0.508 nan 8.150 nan 0.000 0.447 299 A N -0.583 122.006 122.820 -0.384 0.000 1.877 299 A HA -0.062 4.259 4.320 0.002 0.000 0.216 299 A C 2.260 179.716 177.584 -0.213 0.000 1.186 299 A CA 1.596 53.486 52.037 -0.246 0.000 0.620 299 A CB -0.695 18.163 19.000 -0.238 0.000 0.822 299 A HN 0.738 nan 8.150 nan 0.000 0.443 300 L N -0.701 120.379 121.223 -0.238 0.000 2.046 300 L HA -0.135 4.206 4.340 0.002 0.000 0.208 300 L C 2.742 179.404 176.870 -0.346 0.000 1.077 300 L CA 1.682 56.395 54.840 -0.211 0.000 0.747 300 L CB -0.349 41.628 42.059 -0.136 0.000 0.896 300 L HN 0.378 nan 8.230 nan 0.000 0.432 301 A N -0.701 121.782 122.820 -0.562 0.000 1.877 301 A HA -0.163 4.158 4.320 0.002 0.000 0.216 301 A C 2.202 179.508 177.584 -0.463 0.000 1.186 301 A CA 1.934 53.389 52.037 -0.970 0.000 0.620 301 A CB -1.074 17.410 19.000 -0.860 0.000 0.822 301 A HN 0.312 nan 8.150 nan 0.000 0.443 302 V N -0.020 119.746 119.914 -0.247 0.000 2.255 302 V HA -0.304 3.817 4.120 0.002 0.000 0.247 302 V C 3.078 179.184 176.094 0.019 0.000 1.051 302 V CA 2.197 64.464 62.300 -0.056 0.000 1.018 302 V CB -1.345 30.473 31.823 -0.009 0.000 0.641 302 V HN 0.634 nan 8.190 nan 0.000 0.445 303 A N -0.624 122.189 122.820 -0.011 0.000 1.902 303 A HA -0.200 4.121 4.320 0.002 0.000 0.217 303 A C 2.292 179.827 177.584 -0.082 0.000 1.181 303 A CA 1.691 53.699 52.037 -0.049 0.000 0.623 303 A CB -0.435 18.506 19.000 -0.098 0.000 0.818 303 A HN 0.407 nan 8.150 nan 0.000 0.443 304 K N -0.092 120.260 120.400 -0.079 0.000 2.057 304 K HA -0.096 4.225 4.320 0.002 0.000 0.207 304 K C 1.718 178.354 176.600 0.059 0.000 1.049 304 K CA 1.174 57.465 56.287 0.007 0.000 0.931 304 K CB -0.325 32.237 32.500 0.103 0.000 0.714 304 K HN 0.487 nan 8.250 nan 0.000 0.440 305 E N 0.570 120.803 120.200 0.055 0.000 2.268 305 E HA -0.168 4.183 4.350 0.002 0.000 0.195 305 E C 1.694 178.350 176.600 0.093 0.000 0.995 305 E CA 0.713 57.175 56.400 0.104 0.000 0.836 305 E CB 0.125 29.890 29.700 0.108 0.000 0.763 305 E HN 0.338 nan 8.360 nan 0.000 0.491 306 E N -0.213 120.030 120.200 0.070 0.000 2.442 306 E HA 0.008 4.359 4.350 0.002 0.000 0.195 306 E C 0.959 177.562 176.600 0.004 0.000 1.030 306 E CA 0.830 57.271 56.400 0.068 0.000 0.869 306 E CB 0.121 29.866 29.700 0.076 0.000 0.857 306 E HN 0.232 nan 8.360 nan 0.000 0.505 307 G N 0.401 109.196 108.800 -0.009 0.000 2.141 307 G HA2 -0.261 3.700 3.960 0.002 0.000 0.231 307 G HA3 -0.261 3.700 3.960 0.002 0.000 0.231 307 G C 0.188 175.048 174.900 -0.067 0.000 0.984 307 G CA 0.119 45.207 45.100 -0.020 0.000 0.660 307 G HN 0.262 nan 8.290 nan 0.000 0.525 308 I N 1.656 122.150 120.570 -0.126 0.000 2.648 308 I HA 0.388 4.559 4.170 0.002 0.000 0.284 308 I C 1.367 177.420 176.117 -0.107 0.000 1.153 308 I CA 0.159 61.355 61.300 -0.175 0.000 1.426 308 I CB 1.021 38.837 38.000 -0.307 0.000 1.381 308 I HN 0.376 nan 8.210 nan 0.000 0.571 309 A N 5.584 128.348 122.820 -0.094 0.000 2.425 309 A HA 0.099 4.420 4.320 0.002 0.000 0.242 309 A C 1.123 178.670 177.584 -0.061 0.000 1.077 309 A CA -0.328 51.672 52.037 -0.062 0.000 0.781 309 A CB 0.140 19.108 19.000 -0.053 0.000 1.020 309 A HN 0.822 nan 8.150 nan 0.000 0.494 310 N N 1.088 119.763 118.700 -0.041 0.000 2.104 310 N HA -0.186 4.555 4.740 0.002 0.000 0.190 310 N C 1.704 177.186 175.510 -0.048 0.000 1.024 310 N CA 1.732 54.758 53.050 -0.039 0.000 0.853 310 N CB -0.267 38.205 38.487 -0.025 0.000 1.008 310 N HN 0.844 nan 8.380 nan 0.000 0.424 311 E N 0.995 121.168 120.200 -0.044 0.000 2.077 311 E HA -0.136 4.215 4.350 0.002 0.000 0.193 311 E C 1.838 178.409 176.600 -0.049 0.000 0.989 311 E CA 1.329 57.703 56.400 -0.042 0.000 0.800 311 E CB -0.509 29.170 29.700 -0.035 0.000 0.746 311 E HN 0.273 nan 8.360 nan 0.000 0.452 312 A N 1.911 124.695 122.820 -0.060 0.000 1.877 312 A HA -0.101 4.220 4.320 0.002 0.000 0.216 312 A C 2.439 179.979 177.584 -0.073 0.000 1.186 312 A CA 1.449 53.445 52.037 -0.070 0.000 0.620 312 A CB -0.733 18.209 19.000 -0.096 0.000 0.822 312 A HN 0.235 nan 8.150 nan 0.000 0.443 313 I N -0.364 120.155 120.570 -0.083 0.000 2.127 313 I HA -0.284 3.887 4.170 0.002 0.000 0.241 313 I C 2.433 178.505 176.117 -0.075 0.000 1.075 313 I CA 1.331 62.580 61.300 -0.085 0.000 1.334 313 I CB -0.389 37.560 38.000 -0.084 0.000 1.040 313 I HN 0.288 nan 8.210 nan 0.000 0.405 314 L N 0.148 121.330 121.223 -0.068 0.000 2.056 314 L HA -0.192 4.149 4.340 0.002 0.000 0.207 314 L C 2.510 179.348 176.870 -0.053 0.000 1.078 314 L CA 1.406 56.204 54.840 -0.070 0.000 0.749 314 L CB -0.558 41.461 42.059 -0.067 0.000 0.901 314 L HN 0.247 nan 8.230 nan 0.000 0.433 315 E N 0.200 120.376 120.200 -0.041 0.000 2.051 315 E HA -0.222 4.129 4.350 0.002 0.000 0.192 315 E C 2.296 178.890 176.600 -0.009 0.000 0.991 315 E CA 1.307 57.692 56.400 -0.024 0.000 0.799 315 E CB -0.188 29.498 29.700 -0.022 0.000 0.748 315 E HN 0.485 nan 8.360 nan 0.000 0.449 316 A N 0.804 123.614 122.820 -0.015 0.000 1.930 316 A HA -0.135 4.186 4.320 0.002 0.000 0.217 316 A C 2.151 179.754 177.584 0.032 0.000 1.175 316 A CA 1.010 53.053 52.037 0.010 0.000 0.627 316 A CB -0.501 18.488 19.000 -0.019 0.000 0.815 316 A HN 0.137 nan 8.150 nan 0.000 0.443 317 L N -1.055 120.154 121.223 -0.024 0.000 2.109 317 L HA -0.106 4.235 4.340 0.002 0.000 0.207 317 L C 3.017 179.907 176.870 0.034 0.000 1.086 317 L CA 0.902 55.727 54.840 -0.024 0.000 0.760 317 L CB -0.497 41.513 42.059 -0.080 0.000 0.910 317 L HN 0.429 nan 8.230 nan 0.000 0.437 318 A N -0.700 122.119 122.820 -0.001 0.000 2.015 318 A HA -0.162 4.159 4.320 0.002 0.000 0.219 318 A C 1.582 179.185 177.584 0.032 0.000 1.163 318 A CA 1.479 53.512 52.037 -0.007 0.000 0.646 318 A CB -0.212 18.770 19.000 -0.031 0.000 0.806 318 A HN 0.373 nan 8.150 nan 0.000 0.448 319 D N -1.860 118.575 120.400 0.058 0.000 2.395 319 D HA 0.135 4.777 4.640 0.002 0.000 0.213 319 D C -0.250 176.107 176.300 0.095 0.000 1.110 319 D CA -0.360 53.674 54.000 0.056 0.000 0.835 319 D CB -0.079 40.740 40.800 0.033 0.000 0.965 319 D HN 0.457 nan 8.370 nan 0.000 0.505 320 F N 2.605 122.540 119.950 -0.024 0.000 2.590 320 F HA -0.094 4.435 4.527 0.002 0.000 0.389 320 F C 1.500 177.294 175.800 -0.010 0.000 1.049 320 F CA 0.255 58.240 58.000 -0.024 0.000 1.199 320 F CB 0.812 39.797 39.000 -0.026 0.000 1.058 320 F HN -0.232 nan 8.300 nan 0.000 0.556 321 Q N 4.941 124.391 119.800 -0.582 0.000 2.392 321 Q HA 0.242 4.583 4.340 0.002 0.000 0.203 321 Q C 1.040 176.644 176.000 -0.660 0.000 0.917 321 Q CA 0.652 56.183 55.803 -0.455 0.000 0.939 321 Q CB 0.227 28.811 28.738 -0.256 0.000 1.063 321 Q HN 1.019 nan 8.270 nan 0.000 0.516 322 G N 0.614 108.527 108.800 -1.478 0.000 2.685 322 G HA2 -0.006 3.955 3.960 0.002 0.000 0.387 322 G HA3 -0.006 3.955 3.960 0.002 0.000 0.387 322 G C -0.890 173.713 174.900 -0.495 0.000 1.324 322 G CA -0.512 43.991 45.100 -0.995 0.000 0.878 322 G HN 0.440 nan 8.290 nan 0.000 0.527 323 A N -0.480 122.252 122.820 -0.146 0.000 2.320 323 A HA 0.952 5.274 4.320 0.002 0.000 0.334 323 A C 0.982 178.532 177.584 -0.057 0.000 1.147 323 A CA 0.723 52.727 52.037 -0.056 0.000 0.820 323 A CB 1.132 20.145 19.000 0.022 0.000 1.218 323 A HN 2.481 nan 8.150 nan 0.000 0.482 324 G N -0.275 108.490 108.800 -0.058 0.000 2.432 324 G HA2 0.400 4.361 3.960 0.002 0.000 0.239 324 G HA3 0.400 4.361 3.960 0.002 0.000 0.239 324 G C 0.569 175.445 174.900 -0.039 0.000 1.291 324 G CA 0.121 45.191 45.100 -0.049 0.000 0.863 324 G HN 1.046 nan 8.290 nan 0.000 0.560 325 R N -0.779 119.713 120.500 -0.014 0.000 3.994 325 R HA -0.174 4.167 4.340 0.002 0.000 0.403 325 R C 0.110 176.458 176.300 0.079 0.000 1.126 325 R CA 1.311 57.427 56.100 0.028 0.000 1.143 325 R CB -1.029 29.306 30.300 0.059 0.000 1.695 325 R HN 0.524 nan 8.270 nan 0.000 0.555 326 R N 0.409 120.952 120.500 0.070 0.000 2.310 326 R HA 0.230 4.572 4.340 0.002 0.000 0.316 326 R C -0.408 176.013 176.300 0.202 0.000 1.004 326 R CA -0.569 55.621 56.100 0.149 0.000 0.900 326 R CB 0.354 30.739 30.300 0.142 0.000 1.152 326 R HN 0.162 nan 8.270 nan 0.000 0.513 327 F N 1.558 121.531 119.950 0.038 0.000 2.783 327 F HA -0.312 4.217 4.527 0.003 0.000 0.222 327 F C -0.333 175.418 175.800 -0.083 0.000 1.028 327 F CA 0.796 58.779 58.000 -0.029 0.000 0.862 327 F CB -0.485 38.511 39.000 -0.006 0.000 0.744 327 F HN 0.486 nan 8.300 nan 0.000 0.850 328 D N 3.153 123.514 120.400 -0.064 0.000 2.396 328 D HA 0.140 4.781 4.640 0.002 0.000 0.225 328 D C -0.215 176.016 176.300 -0.116 0.000 1.121 328 D CA -0.159 53.808 54.000 -0.055 0.000 0.853 328 D CB 0.606 41.382 40.800 -0.039 0.000 1.043 328 D HN 0.364 nan 8.370 nan 0.000 0.500 329 Q N 3.919 123.662 119.800 -0.094 0.000 2.281 329 Q HA 0.092 4.433 4.340 0.002 0.000 0.267 329 Q C 0.979 176.955 176.000 -0.041 0.000 1.053 329 Q CA 0.090 55.833 55.803 -0.100 0.000 0.905 329 Q CB 1.747 30.448 28.738 -0.062 0.000 1.195 329 Q HN 0.579 nan 8.270 nan 0.000 0.398 330 L N 1.184 122.400 121.223 -0.011 0.000 2.477 330 L HA 0.192 4.534 4.340 0.002 0.000 0.220 330 L C 1.011 177.933 176.870 0.085 0.000 1.106 330 L CA 0.529 55.409 54.840 0.066 0.000 0.851 330 L CB 0.126 42.253 42.059 0.114 0.000 0.994 330 L HN 0.921 nan 8.230 nan 0.000 0.462 331 G N -0.034 108.763 108.800 -0.004 0.000 2.346 331 G HA2 -0.023 3.938 3.960 0.002 0.000 0.294 331 G HA3 -0.023 3.938 3.960 0.002 0.000 0.294 331 G C -1.462 173.227 174.900 -0.351 0.000 1.294 331 G CA -0.888 44.078 45.100 -0.223 0.000 0.962 331 G HN 0.017 nan 8.290 nan 0.000 0.508 332 E N -0.772 119.103 120.200 -0.543 0.000 2.183 332 E HA 0.684 5.035 4.350 0.002 0.000 0.271 332 E C -1.368 174.824 176.600 -0.680 0.000 0.919 332 E CA -0.477 55.702 56.400 -0.369 0.000 0.781 332 E CB 1.869 31.503 29.700 -0.110 0.000 1.140 332 E HN 0.322 nan 8.360 nan 0.000 0.402 333 F N 1.659 121.665 119.950 0.093 0.000 2.561 333 F HA 0.422 4.950 4.527 0.002 0.000 0.313 333 F C -0.304 175.451 175.800 -0.075 0.000 1.126 333 F CA -0.867 57.156 58.000 0.038 0.000 0.918 333 F CB 1.041 40.116 39.000 0.125 0.000 1.199 333 F HN 0.270 nan 8.300 nan 0.000 0.444 334 I N 4.872 125.489 120.570 0.078 0.000 2.308 334 I HA 0.315 4.486 4.170 0.002 0.000 0.293 334 I C 0.019 176.062 176.117 -0.123 0.000 1.078 334 I CA -0.331 60.958 61.300 -0.019 0.000 1.292 334 I CB -0.005 37.993 38.000 -0.005 0.000 1.423 334 I HN 0.378 nan 8.210 nan 0.000 0.493 335 R N 6.960 127.339 120.500 -0.202 0.000 2.573 335 R HA 0.391 4.732 4.340 0.002 0.000 0.272 335 R C -1.576 174.627 176.300 -0.162 0.000 1.009 335 R CA -2.731 53.187 56.100 -0.304 0.000 1.059 335 R CB 0.089 30.117 30.300 -0.454 0.000 1.112 335 R HN 0.173 nan 8.270 nan 0.000 0.517 336 P HA -0.117 nan 4.420 nan 0.000 0.218 336 P C 0.357 177.622 177.300 -0.058 0.000 1.146 336 P CA 1.353 64.406 63.100 -0.078 0.000 0.820 336 P CB 0.334 31.996 31.700 -0.064 0.000 0.778 337 N N -1.385 117.275 118.700 -0.067 0.000 2.236 337 N HA 0.201 4.942 4.740 0.002 0.000 0.196 337 N C 0.794 176.286 175.510 -0.030 0.000 1.114 337 N CA 0.693 53.720 53.050 -0.039 0.000 0.859 337 N CB 1.055 39.526 38.487 -0.027 0.000 0.982 337 N HN 0.137 nan 8.380 nan 0.000 0.493 338 G N 0.566 109.338 108.800 -0.046 0.000 2.353 338 G HA2 -0.028 3.934 3.960 0.002 0.000 0.308 338 G HA3 -0.028 3.934 3.960 0.002 0.000 0.308 338 G C -1.590 173.294 174.900 -0.026 0.000 1.418 338 G CA -0.954 44.133 45.100 -0.022 0.000 0.966 338 G HN 0.045 nan 8.290 nan 0.000 0.638 339 K N -0.131 120.275 120.400 0.009 0.000 2.297 339 K HA 0.609 4.930 4.320 0.002 0.000 0.286 339 K C 0.474 177.131 176.600 0.095 0.000 1.053 339 K CA -0.377 55.931 56.287 0.036 0.000 0.940 339 K CB 0.953 33.476 32.500 0.040 0.000 1.019 339 K HN 1.155 nan 8.250 nan 0.000 0.475 340 V N 1.136 121.123 119.914 0.121 0.000 2.960 340 V HA 0.651 4.772 4.120 0.002 0.000 0.315 340 V C -0.716 175.536 176.094 0.262 0.000 1.087 340 V CA -1.147 61.273 62.300 0.201 0.000 0.982 340 V CB 1.880 33.798 31.823 0.159 0.000 1.039 340 V HN 0.697 nan 8.190 nan 0.000 0.437 341 R N 1.782 122.437 120.500 0.257 0.000 2.387 341 R HA 0.629 4.971 4.340 0.002 0.000 0.314 341 R C -1.624 174.738 176.300 0.102 0.000 0.958 341 R CA -0.734 55.467 56.100 0.168 0.000 0.846 341 R CB 1.729 32.084 30.300 0.092 0.000 1.147 341 R HN 0.785 nan 8.270 nan 0.000 0.447 342 L N 4.686 126.019 121.223 0.184 0.000 2.287 342 L HA 0.405 4.747 4.340 0.002 0.000 0.287 342 L C -1.117 175.728 176.870 -0.041 0.000 1.022 342 L CA -0.450 54.468 54.840 0.129 0.000 0.814 342 L CB 1.733 43.974 42.059 0.304 0.000 1.217 342 L HN 0.248 nan 8.230 nan 0.000 0.420 343 V N 4.017 123.820 119.914 -0.186 0.000 2.540 343 V HA 0.416 4.538 4.120 0.002 0.000 0.302 343 V C -0.787 175.146 176.094 -0.268 0.000 1.035 343 V CA -0.762 61.340 62.300 -0.329 0.000 0.873 343 V CB 1.854 33.267 31.823 -0.683 0.000 0.992 343 V HN 0.704 nan 8.190 nan 0.000 0.428 344 D N 2.815 123.090 120.400 -0.207 0.000 2.198 344 D HA 0.513 5.154 4.640 0.002 0.000 0.245 344 D C -1.011 175.217 176.300 -0.119 0.000 1.079 344 D CA 0.050 53.971 54.000 -0.132 0.000 0.854 344 D CB 1.678 42.433 40.800 -0.076 0.000 1.148 344 D HN 0.692 nan 8.370 nan 0.000 0.456 345 D N 2.063 122.428 120.400 -0.058 0.000 2.879 345 D HA 0.137 4.778 4.640 0.002 0.000 0.236 345 D C -0.387 175.990 176.300 0.128 0.000 1.171 345 D CA -0.593 53.430 54.000 0.038 0.000 0.868 345 D CB 0.875 41.684 40.800 0.015 0.000 1.598 345 D HN 0.386 nan 8.370 nan 0.000 0.497 346 Y N 2.559 122.897 120.300 0.063 0.000 2.561 346 Y HA 0.237 4.788 4.550 0.002 0.000 0.291 346 Y C 1.328 177.365 175.900 0.229 0.000 1.141 346 Y CA 0.450 58.612 58.100 0.104 0.000 1.303 346 Y CB 0.281 38.804 38.460 0.105 0.000 1.015 346 Y HN 0.536 nan 8.280 nan 0.000 0.547 347 G N 0.913 109.842 108.800 0.215 0.000 2.178 347 G HA2 -0.110 3.851 3.960 0.002 0.000 0.244 347 G HA3 -0.110 3.851 3.960 0.002 0.000 0.244 347 G C 0.265 175.268 174.900 0.171 0.000 1.213 347 G CA 0.583 45.757 45.100 0.122 0.000 0.912 347 G HN 0.755 nan 8.290 nan 0.000 0.474 348 H N 0.940 120.091 119.070 0.134 0.000 3.540 348 H HA 0.167 4.724 4.556 0.003 0.000 0.259 348 H C -0.192 175.378 175.328 0.404 0.000 1.197 348 H CA -0.361 55.817 56.048 0.217 0.000 1.136 348 H CB 0.242 29.963 29.762 -0.069 0.000 1.605 348 H HN 0.602 nan 8.280 nan 0.000 0.657 349 H N 2.191 121.207 119.070 -0.091 0.000 2.492 349 H HA 0.233 4.790 4.556 0.002 0.000 0.345 349 H C -2.112 173.068 175.328 -0.247 0.000 1.136 349 H CA -1.824 54.158 56.048 -0.109 0.000 1.202 349 H CB 2.969 32.660 29.762 -0.118 0.000 1.524 349 H HN -0.141 nan 8.280 nan 0.000 0.506 350 P HA -0.150 nan 4.420 nan 0.000 0.217 350 P C 1.296 178.446 177.300 -0.250 0.000 1.151 350 P CA 1.846 64.600 63.100 -0.577 0.000 0.849 350 P CB 0.218 31.429 31.700 -0.814 0.000 0.787 351 T N -0.531 113.994 114.554 -0.049 0.000 2.720 351 T HA -0.173 4.178 4.350 0.002 0.000 0.268 351 T C 1.593 176.109 174.700 -0.307 0.000 1.037 351 T CA 1.496 63.487 62.100 -0.181 0.000 1.144 351 T CB -0.654 68.043 68.868 -0.285 0.000 0.864 351 T HN 0.363 nan 8.240 nan 0.000 0.444 352 E N 0.396 120.408 120.200 -0.314 0.000 2.072 352 E HA -0.061 4.290 4.350 0.002 0.000 0.191 352 E C 2.395 178.890 176.600 -0.174 0.000 0.985 352 E CA 0.818 57.050 56.400 -0.281 0.000 0.801 352 E CB -0.236 29.343 29.700 -0.202 0.000 0.750 352 E HN 0.229 nan 8.360 nan 0.000 0.452 353 V N 1.176 121.019 119.914 -0.119 0.000 2.332 353 V HA -0.239 3.883 4.120 0.002 0.000 0.248 353 V C 2.350 178.370 176.094 -0.124 0.000 1.055 353 V CA 2.042 64.283 62.300 -0.099 0.000 1.038 353 V CB -1.133 30.599 31.823 -0.152 0.000 0.651 353 V HN 0.433 nan 8.190 nan 0.000 0.450 354 G N 0.597 109.302 108.800 -0.159 0.000 2.459 354 G HA2 -0.235 3.727 3.960 0.002 0.000 0.217 354 G HA3 -0.235 3.727 3.960 0.002 0.000 0.217 354 G C 1.749 176.567 174.900 -0.136 0.000 1.183 354 G CA 1.646 46.660 45.100 -0.143 0.000 0.776 354 G HN 0.606 nan 8.290 nan 0.000 0.552 355 V N -1.576 118.206 119.914 -0.220 0.000 2.515 355 V HA -0.072 4.049 4.120 0.002 0.000 0.250 355 V C 2.585 178.552 176.094 -0.211 0.000 1.058 355 V CA 2.528 64.655 62.300 -0.288 0.000 1.064 355 V CB -1.168 30.311 31.823 -0.573 0.000 0.675 355 V HN 0.245 nan 8.190 nan 0.000 0.461 356 T N 1.130 115.597 114.554 -0.146 0.000 2.737 356 T HA 0.010 4.361 4.350 0.002 0.000 0.265 356 T C 1.860 176.676 174.700 0.194 0.000 1.038 356 T CA 2.195 64.364 62.100 0.114 0.000 1.144 356 T CB -0.385 68.556 68.868 0.122 0.000 0.866 356 T HN 0.472 nan 8.240 nan 0.000 0.434 357 I N 0.799 121.414 120.570 0.075 0.000 2.151 357 I HA -0.248 3.923 4.170 0.002 0.000 0.243 357 I C 2.555 178.740 176.117 0.114 0.000 1.080 357 I CA 1.528 62.874 61.300 0.077 0.000 1.339 357 I CB -0.289 37.716 38.000 0.009 0.000 1.039 357 I HN 0.201 nan 8.210 nan 0.000 0.409 358 K N 0.600 121.045 120.400 0.075 0.000 2.057 358 K HA -0.134 4.188 4.320 0.002 0.000 0.207 358 K C 2.249 178.936 176.600 0.145 0.000 1.049 358 K CA 1.459 57.796 56.287 0.084 0.000 0.931 358 K CB -0.256 32.263 32.500 0.031 0.000 0.714 358 K HN 0.336 nan 8.250 nan 0.000 0.440 359 A N 1.419 124.348 122.820 0.180 0.000 1.898 359 A HA -0.088 4.233 4.320 0.002 0.000 0.216 359 A C 2.354 180.118 177.584 0.300 0.000 1.181 359 A CA 1.727 53.875 52.037 0.186 0.000 0.620 359 A CB -0.631 18.432 19.000 0.106 0.000 0.819 359 A HN 0.325 nan 8.150 nan 0.000 0.442 360 A N -0.249 122.836 122.820 0.441 0.000 1.902 360 A HA -0.162 4.159 4.320 0.002 0.000 0.217 360 A C 2.223 180.071 177.584 0.440 0.000 1.181 360 A CA 1.427 53.817 52.037 0.588 0.000 0.623 360 A CB -0.455 18.774 19.000 0.382 0.000 0.818 360 A HN 0.423 nan 8.150 nan 0.000 0.443 361 R N -0.376 120.297 120.500 0.289 0.000 2.096 361 R HA -0.111 4.230 4.340 0.002 0.000 0.235 361 R C 1.670 178.095 176.300 0.209 0.000 1.127 361 R CA 1.618 57.858 56.100 0.233 0.000 0.968 361 R CB -0.491 29.900 30.300 0.152 0.000 0.861 361 R HN 0.623 nan 8.270 nan 0.000 0.440 362 E N -0.768 119.544 120.200 0.187 0.000 2.427 362 E HA -0.009 4.342 4.350 0.002 0.000 0.196 362 E C 1.650 178.290 176.600 0.066 0.000 1.028 362 E CA 0.751 57.227 56.400 0.127 0.000 0.864 362 E CB 0.159 29.942 29.700 0.138 0.000 0.813 362 E HN 0.457 nan 8.360 nan 0.000 0.514 363 G N -0.902 107.943 108.800 0.076 0.000 2.651 363 G HA2 -0.106 3.855 3.960 0.002 0.000 0.207 363 G HA3 -0.106 3.855 3.960 0.002 0.000 0.207 363 G C 1.117 176.011 174.900 -0.010 0.000 1.131 363 G CA -0.307 44.623 45.100 -0.282 0.000 0.816 363 G HN 0.216 nan 8.290 nan 0.000 0.534 364 W N 0.732 122.021 121.300 -0.018 0.000 2.519 364 W HA 0.207 4.868 4.660 0.001 0.000 0.313 364 W C 2.005 178.537 176.519 0.022 0.000 1.156 364 W CA 1.467 58.849 57.345 0.062 0.000 1.394 364 W CB 0.329 29.896 29.460 0.180 0.000 1.154 364 W HN 0.397 nan 8.180 nan 0.000 0.498 365 G N 0.465 109.394 108.800 0.216 0.000 4.315 365 G HA2 -0.404 3.558 3.960 0.002 0.000 0.280 365 G HA3 -0.404 3.558 3.960 0.002 0.000 0.280 365 G C 0.582 175.523 174.900 0.068 0.000 1.649 365 G CA 0.743 45.892 45.100 0.081 0.000 1.108 365 G HN 0.271 nan 8.290 nan 0.000 0.667 366 D N 1.376 121.771 120.400 -0.008 0.000 2.213 366 D HA 0.232 4.873 4.640 0.002 0.000 0.205 366 D C 1.367 177.691 176.300 0.039 0.000 0.961 366 D CA 1.041 55.039 54.000 -0.003 0.000 0.853 366 D CB 0.086 40.857 40.800 -0.050 0.000 0.967 366 D HN 0.453 nan 8.370 nan 0.000 0.496 367 K N -0.026 120.399 120.400 0.042 0.000 2.090 367 K HA 0.386 4.708 4.320 0.002 0.000 0.250 367 K C 0.108 176.943 176.600 0.392 0.000 1.004 367 K CA -0.507 55.884 56.287 0.173 0.000 0.919 367 K CB 1.155 33.703 32.500 0.080 0.000 1.045 367 K HN -0.118 nan 8.250 nan 0.000 0.471 368 R N 0.954 121.643 120.500 0.315 0.000 2.582 368 R HA 0.229 4.570 4.340 0.002 0.000 0.271 368 R C -0.237 176.185 176.300 0.203 0.000 1.078 368 R CA -0.484 55.750 56.100 0.224 0.000 1.127 368 R CB 0.417 30.805 30.300 0.146 0.000 1.038 368 R HN 0.360 nan 8.270 nan 0.000 0.500 369 I N 3.267 123.909 120.570 0.119 0.000 2.307 369 I HA 0.210 4.381 4.170 0.002 0.000 0.289 369 I C 0.365 176.502 176.117 0.034 0.000 1.021 369 I CA -0.295 61.031 61.300 0.043 0.000 1.224 369 I CB 0.944 38.969 38.000 0.042 0.000 1.376 369 I HN 0.302 nan 8.210 nan 0.000 0.470 373 F N 6.094 126.005 119.950 -0.064 0.000 2.427 373 F HA 0.530 5.059 4.527 0.003 0.000 0.346 373 F C 0.018 175.763 175.800 -0.093 0.000 1.120 373 F CA -0.152 57.802 58.000 -0.078 0.000 1.033 373 F CB 1.397 40.351 39.000 -0.077 0.000 1.126 373 F HN 0.455 nan 8.300 nan 0.000 0.462 374 Q N 8.665 127.938 119.800 -0.879 0.000 2.357 374 Q HA 0.422 4.763 4.340 0.002 0.000 0.266 374 Q C -2.665 172.623 176.000 -1.187 0.000 1.021 374 Q CA -2.401 52.945 55.803 -0.761 0.000 0.784 374 Q CB 1.682 30.175 28.738 -0.408 0.000 1.243 374 Q HN 0.341 nan 8.270 nan 0.000 0.465 375 P HA -0.032 nan 4.420 nan 0.000 0.268 375 P C -1.275 175.802 177.300 -0.372 0.000 1.205 375 P CA 0.213 62.886 63.100 -0.712 0.000 0.771 375 P CB 0.438 31.866 31.700 -0.454 0.000 0.858 376 H N 5.389 124.286 119.070 -0.289 0.000 2.551 376 H HA 0.370 4.927 4.556 0.002 0.000 0.321 376 H C -0.134 175.151 175.328 -0.072 0.000 1.028 376 H CA -0.348 55.619 56.048 -0.135 0.000 1.215 376 H CB 0.349 30.026 29.762 -0.141 0.000 1.414 376 H HN 0.463 nan 8.280 nan 0.000 0.480 377 R N 2.975 123.244 120.500 -0.385 0.000 0.970 377 R HA -0.212 4.129 4.340 0.002 0.000 0.431 377 R C -0.265 175.913 176.300 -0.204 0.000 1.364 377 R CA 0.348 56.306 56.100 -0.237 0.000 1.167 377 R CB -0.856 29.446 30.300 0.004 0.000 3.395 377 R HN 0.656 nan 8.270 nan 0.000 0.514 378 Y N 0.892 121.176 120.300 -0.027 0.000 2.263 378 Y HA -0.195 4.357 4.550 0.002 0.000 0.292 378 Y C 2.589 178.524 175.900 0.057 0.000 1.130 378 Y CA 1.607 59.712 58.100 0.009 0.000 1.179 378 Y CB -0.057 38.398 38.460 -0.009 0.000 0.998 378 Y HN 0.776 nan 8.280 nan 0.000 0.532 379 S N 0.483 116.311 115.700 0.213 0.000 2.359 379 S HA -0.275 4.196 4.470 0.002 0.000 0.224 379 S C 2.111 176.823 174.600 0.186 0.000 1.035 379 S CA 1.389 59.695 58.200 0.176 0.000 1.018 379 S CB -0.563 62.730 63.200 0.156 0.000 0.876 379 S HN 0.468 nan 8.310 nan 0.000 0.448 380 R N 1.061 121.678 120.500 0.196 0.000 2.075 380 R HA -0.075 4.266 4.340 0.002 0.000 0.232 380 R C 2.228 178.732 176.300 0.339 0.000 1.126 380 R CA 1.864 58.116 56.100 0.252 0.000 0.963 380 R CB -0.940 29.535 30.300 0.291 0.000 0.858 380 R HN 0.514 nan 8.270 nan 0.000 0.435 381 T N 0.940 115.643 114.554 0.247 0.000 2.720 381 T HA -0.183 4.169 4.350 0.002 0.000 0.268 381 T C 1.751 176.682 174.700 0.386 0.000 1.037 381 T CA 1.540 63.789 62.100 0.249 0.000 1.144 381 T CB -0.279 68.636 68.868 0.077 0.000 0.864 381 T HN 0.339 nan 8.240 nan 0.000 0.444 382 R N 1.050 121.722 120.500 0.286 0.000 2.070 382 R HA -0.148 4.193 4.340 0.002 0.000 0.233 382 R C 1.783 178.209 176.300 0.211 0.000 1.137 382 R CA 2.002 58.236 56.100 0.223 0.000 0.945 382 R CB -0.394 29.992 30.300 0.143 0.000 0.845 382 R HN 0.252 nan 8.270 nan 0.000 0.430 383 D N 0.395 120.909 120.400 0.189 0.000 2.178 383 D HA -0.104 4.538 4.640 0.002 0.000 0.201 383 D C 1.200 177.569 176.300 0.114 0.000 0.980 383 D CA 1.165 55.247 54.000 0.136 0.000 0.842 383 D CB 0.133 41.007 40.800 0.124 0.000 0.948 383 D HN 0.310 nan 8.370 nan 0.000 0.472 384 L N -0.440 120.878 121.223 0.159 0.000 3.168 384 L HA 0.220 4.561 4.340 0.002 0.000 0.277 384 L C 1.181 178.138 176.870 0.144 0.000 1.245 384 L CA -0.414 54.428 54.840 0.004 0.000 1.035 384 L CB 0.219 42.084 42.059 -0.324 0.000 1.399 384 L HN -0.164 nan 8.230 nan 0.000 0.580 385 F N 1.702 121.747 119.950 0.157 0.000 2.043 385 F HA -0.328 4.200 4.527 0.002 0.000 0.297 385 F C 2.048 177.922 175.800 0.123 0.000 1.118 385 F CA 2.236 60.353 58.000 0.195 0.000 1.202 385 F CB 0.254 39.323 39.000 0.114 0.000 0.965 385 F HN 0.249 nan 8.300 nan 0.000 0.482 386 D N 0.101 120.642 120.400 0.235 0.000 2.144 386 D HA -0.160 4.481 4.640 0.002 0.000 0.199 386 D C 1.879 178.149 176.300 -0.051 0.000 0.984 386 D CA 1.499 55.559 54.000 0.099 0.000 0.834 386 D CB -0.565 40.298 40.800 0.105 0.000 0.955 386 D HN 0.362 nan 8.370 nan 0.000 0.465 387 D N -0.389 119.940 120.400 -0.118 0.000 2.144 387 D HA -0.103 4.539 4.640 0.002 0.000 0.200 387 D C 1.914 178.038 176.300 -0.293 0.000 0.978 387 D CA 0.440 54.297 54.000 -0.238 0.000 0.833 387 D CB -0.368 40.220 40.800 -0.354 0.000 0.961 387 D HN 0.181 nan 8.370 nan 0.000 0.470 388 F N 0.827 120.633 119.950 -0.239 0.000 2.102 388 F HA -0.154 4.374 4.527 0.003 0.000 0.298 388 F C 2.519 178.126 175.800 -0.322 0.000 1.105 388 F CA 0.504 58.320 58.000 -0.305 0.000 1.239 388 F CB -0.853 37.970 39.000 -0.295 0.000 0.991 388 F HN -0.169 nan 8.300 nan 0.000 0.474 389 V N -0.268 119.559 119.914 -0.145 0.000 2.287 389 V HA -0.309 3.813 4.120 0.002 0.000 0.248 389 V C 2.466 178.490 176.094 -0.115 0.000 1.053 389 V CA 1.802 63.998 62.300 -0.173 0.000 1.027 389 V CB -0.635 31.077 31.823 -0.186 0.000 0.646 389 V HN 0.327 nan 8.190 nan 0.000 0.447 390 Q N -0.773 118.962 119.800 -0.108 0.000 2.046 390 Q HA -0.135 4.207 4.340 0.002 0.000 0.200 390 Q C 2.409 178.344 176.000 -0.108 0.000 0.975 390 Q CA 1.715 57.462 55.803 -0.094 0.000 0.836 390 Q CB -0.819 27.864 28.738 -0.091 0.000 0.896 390 Q HN 0.540 nan 8.270 nan 0.000 0.428 391 V N 0.941 120.769 119.914 -0.143 0.000 2.358 391 V HA -0.177 3.944 4.120 0.002 0.000 0.246 391 V C 2.199 178.200 176.094 -0.155 0.000 1.047 391 V CA 1.133 63.340 62.300 -0.155 0.000 1.035 391 V CB -0.279 31.423 31.823 -0.203 0.000 0.658 391 V HN 0.270 nan 8.190 nan 0.000 0.452 392 L N -0.183 120.934 121.223 -0.178 0.000 2.362 392 L HA -0.054 4.287 4.340 0.002 0.000 0.219 392 L C 2.249 179.053 176.870 -0.110 0.000 1.134 392 L CA 1.208 55.936 54.840 -0.187 0.000 0.807 392 L CB -0.418 41.503 42.059 -0.229 0.000 0.927 392 L HN 0.255 nan 8.230 nan 0.000 0.447 393 S N -0.778 114.868 115.700 -0.089 0.000 2.603 393 S HA -0.027 4.445 4.470 0.002 0.000 0.220 393 S C 1.601 176.175 174.600 -0.044 0.000 0.967 393 S CA 0.375 58.541 58.200 -0.057 0.000 0.920 393 S CB 0.022 63.192 63.200 -0.049 0.000 0.773 393 S HN 0.382 nan 8.310 nan 0.000 0.529 394 Q N 0.820 120.588 119.800 -0.053 0.000 2.356 394 Q HA 0.173 4.514 4.340 0.002 0.000 0.205 394 Q C 0.857 176.846 176.000 -0.019 0.000 0.901 394 Q CA 0.089 55.870 55.803 -0.036 0.000 0.938 394 Q CB -0.219 28.492 28.738 -0.045 0.000 1.081 394 Q HN 0.583 nan 8.270 nan 0.000 0.517 395 V N -1.789 118.111 119.914 -0.023 0.000 3.036 395 V HA 0.267 4.389 4.120 0.002 0.000 0.308 395 V C 0.839 176.939 176.094 0.010 0.000 1.070 395 V CA -0.543 61.754 62.300 -0.004 0.000 1.056 395 V CB 1.115 32.931 31.823 -0.012 0.000 1.084 395 V HN -0.099 nan 8.190 nan 0.000 0.471 396 D N 1.395 121.811 120.400 0.027 0.000 2.183 396 D HA 0.258 4.899 4.640 0.002 0.000 0.205 396 D C 0.724 177.042 176.300 0.030 0.000 0.962 396 D CA 1.810 55.831 54.000 0.034 0.000 0.849 396 D CB 0.490 41.322 40.800 0.054 0.000 0.978 396 D HN 0.907 nan 8.370 nan 0.000 0.488 397 A N 0.422 123.260 122.820 0.030 0.000 2.422 397 A HA 0.580 4.901 4.320 0.002 0.000 0.302 397 A C -1.671 175.928 177.584 0.025 0.000 1.041 397 A CA -0.534 51.521 52.037 0.029 0.000 0.708 397 A CB 1.818 20.842 19.000 0.039 0.000 1.257 397 A HN 0.072 nan 8.150 nan 0.000 0.414 398 L N 3.112 124.348 121.223 0.023 0.000 2.404 398 L HA 0.711 5.052 4.340 0.002 0.000 0.272 398 L C -0.992 175.896 176.870 0.031 0.000 0.980 398 L CA -0.098 54.757 54.840 0.024 0.000 0.836 398 L CB 0.960 43.026 42.059 0.010 0.000 1.238 398 L HN 0.698 nan 8.230 nan 0.000 0.408 402 D N 0.895 121.250 120.400 -0.075 0.000 2.400 402 D HA 0.175 4.817 4.640 0.002 0.000 0.238 402 D C -0.099 176.116 176.300 -0.142 0.000 1.157 402 D CA -0.020 53.934 54.000 -0.077 0.000 0.889 402 D CB 1.419 42.194 40.800 -0.042 0.000 1.199 402 D HN 0.094 nan 8.370 nan 0.000 0.436 403 V N 2.285 122.081 119.914 -0.197 0.000 2.617 403 V HA -0.200 3.921 4.120 0.002 0.000 0.304 403 V C 0.202 176.105 176.094 -0.319 0.000 1.040 403 V CA 0.388 62.469 62.300 -0.365 0.000 1.149 403 V CB -0.349 31.048 31.823 -0.711 0.000 0.914 403 V HN 0.380 nan 8.190 nan 0.000 0.487 404 Y N 5.206 125.267 120.300 -0.398 0.000 2.584 404 Y HA 0.384 4.935 4.550 0.002 0.000 0.351 404 Y C 1.196 176.826 175.900 -0.449 0.000 1.030 404 Y CA 0.093 57.990 58.100 -0.339 0.000 1.332 404 Y CB 0.778 39.079 38.460 -0.265 0.000 1.148 404 Y HN 0.778 nan 8.280 nan 0.000 0.528 405 A N 5.661 128.108 122.820 -0.623 0.000 1.972 405 A HA 0.077 4.398 4.320 0.002 0.000 0.219 405 A C 1.777 179.140 177.584 -0.369 0.000 1.169 405 A CA 1.018 52.817 52.037 -0.397 0.000 0.635 405 A CB -1.120 17.811 19.000 -0.115 0.000 0.810 405 A HN 1.716 nan 8.150 nan 0.000 0.446 406 A N -2.818 119.664 122.820 -0.563 0.000 2.745 406 A HA 0.172 4.493 4.320 0.002 0.000 0.296 406 A C 1.938 179.459 177.584 -0.105 0.000 1.500 406 A CA 1.514 53.400 52.037 -0.252 0.000 0.766 406 A CB -1.942 16.937 19.000 -0.203 0.000 1.030 406 A HN 2.613 nan 8.150 nan 0.000 0.489 407 G N -2.176 106.551 108.800 -0.122 0.000 2.199 407 G HA2 -0.234 3.728 3.960 0.002 0.000 0.254 407 G HA3 -0.234 3.728 3.960 0.002 0.000 0.254 407 G C -0.126 174.767 174.900 -0.011 0.000 0.982 407 G CA 0.735 45.809 45.100 -0.044 0.000 0.632 407 G HN 1.180 nan 8.290 nan 0.000 0.529 408 E N 0.757 120.965 120.200 0.014 0.000 2.301 408 E HA 0.586 4.938 4.350 0.002 0.000 0.275 408 E C 0.675 177.320 176.600 0.075 0.000 1.030 408 E CA -0.047 56.399 56.400 0.077 0.000 0.852 408 E CB 1.331 31.128 29.700 0.161 0.000 1.060 408 E HN 0.602 nan 8.360 nan 0.000 0.401 409 A N 4.497 127.306 122.820 -0.019 0.000 2.425 409 A HA 0.267 4.588 4.320 0.002 0.000 0.249 409 A C -2.170 175.186 177.584 -0.381 0.000 1.084 409 A CA -1.206 50.752 52.037 -0.132 0.000 0.781 409 A CB -0.253 18.682 19.000 -0.108 0.000 1.019 409 A HN 0.348 nan 8.150 nan 0.000 0.490 410 P HA 0.149 nan 4.420 nan 0.000 0.264 410 P C -0.787 176.092 177.300 -0.702 0.000 1.183 410 P CA 0.605 62.894 63.100 -1.351 0.000 0.763 410 P CB 0.257 31.511 31.700 -0.745 0.000 0.807 411 I N 2.588 122.794 120.570 -0.607 0.000 2.377 411 I HA 0.156 4.327 4.170 0.002 0.000 0.293 411 I C 0.034 176.079 176.117 -0.119 0.000 0.987 411 I CA -1.179 60.003 61.300 -0.197 0.000 1.185 411 I CB 1.585 39.568 38.000 -0.028 0.000 1.341 411 I HN 0.013 nan 8.210 nan 0.000 0.455 412 V N 6.157 126.014 119.914 -0.095 0.000 2.617 412 V HA 0.091 4.212 4.120 0.002 0.000 0.304 412 V C 1.351 177.416 176.094 -0.048 0.000 1.040 412 V CA 1.435 63.696 62.300 -0.065 0.000 1.149 412 V CB 0.154 31.940 31.823 -0.061 0.000 0.914 412 V HN 1.179 nan 8.190 nan 0.000 0.487 413 G N 3.996 112.775 108.800 -0.034 0.000 2.184 413 G HA2 -0.187 3.775 3.960 0.002 0.000 0.264 413 G HA3 -0.187 3.775 3.960 0.002 0.000 0.264 413 G C 0.538 175.411 174.900 -0.045 0.000 0.975 413 G CA 0.251 45.307 45.100 -0.073 0.000 0.642 413 G HN 1.683 nan 8.290 nan 0.000 0.536 414 A N 0.589 123.460 122.820 0.085 0.000 2.827 414 A HA 0.582 4.903 4.320 0.002 0.000 0.300 414 A C 0.489 178.267 177.584 0.322 0.000 1.237 414 A CA 0.749 52.925 52.037 0.231 0.000 0.964 414 A CB 0.055 19.189 19.000 0.223 0.000 1.143 414 A HN 0.654 nan 8.150 nan 0.000 0.554 415 D N -1.851 118.711 120.400 0.269 0.000 2.525 415 D HA 0.336 4.977 4.640 0.002 0.000 0.249 415 D C 0.723 177.110 176.300 0.144 0.000 1.072 415 D CA -0.338 53.797 54.000 0.224 0.000 1.067 415 D CB 0.566 41.505 40.800 0.232 0.000 1.282 415 D HN -0.155 nan 8.370 nan 0.000 0.587 416 S N -0.685 115.053 115.700 0.064 0.000 2.402 416 S HA -0.117 4.354 4.470 0.002 0.000 0.229 416 S C 1.601 176.235 174.600 0.056 0.000 1.021 416 S CA 0.884 59.100 58.200 0.028 0.000 0.974 416 S CB -0.211 62.980 63.200 -0.016 0.000 0.800 416 S HN 0.454 nan 8.310 nan 0.000 0.484 417 K N 1.012 121.454 120.400 0.070 0.000 2.057 417 K HA -0.028 4.293 4.320 0.002 0.000 0.207 417 K C 2.388 179.049 176.600 0.103 0.000 1.049 417 K CA 1.402 57.731 56.287 0.069 0.000 0.931 417 K CB -0.172 32.363 32.500 0.059 0.000 0.714 417 K HN 0.183 nan 8.250 nan 0.000 0.440 418 S N 1.233 117.026 115.700 0.155 0.000 2.368 418 S HA -0.085 4.386 4.470 0.002 0.000 0.224 418 S C 1.864 176.681 174.600 0.362 0.000 1.029 418 S CA 0.904 59.253 58.200 0.248 0.000 0.988 418 S CB -0.155 63.202 63.200 0.261 0.000 0.838 418 S HN 0.203 nan 8.310 nan 0.000 0.462 419 L N 0.697 122.062 121.223 0.237 0.000 2.012 419 L HA -0.196 4.145 4.340 0.002 0.000 0.210 419 L C 2.616 179.480 176.870 -0.010 0.000 1.073 419 L CA 1.068 55.881 54.840 -0.045 0.000 0.748 419 L CB -0.621 41.357 42.059 -0.135 0.000 0.891 419 L HN 0.416 nan 8.230 nan 0.000 0.431 420 C N -0.569 118.749 119.300 0.031 0.000 2.413 420 C HA -0.166 4.295 4.460 0.002 0.000 0.276 420 C C 2.923 177.938 174.990 0.041 0.000 1.236 420 C CA 0.601 59.635 59.018 0.027 0.000 1.735 420 C CB -1.052 26.707 27.740 0.032 0.000 2.031 420 C HN 0.422 nan 8.230 nan 0.000 0.474 421 R N 0.635 121.178 120.500 0.072 0.000 2.083 421 R HA -0.118 4.224 4.340 0.002 0.000 0.237 421 R C 2.312 178.661 176.300 0.081 0.000 1.137 421 R CA 1.721 57.867 56.100 0.075 0.000 0.951 421 R CB -0.752 29.603 30.300 0.091 0.000 0.851 421 R HN 0.493 nan 8.270 nan 0.000 0.434 422 S N 0.859 116.630 115.700 0.120 0.000 2.406 422 S HA -0.016 4.455 4.470 0.002 0.000 0.228 422 S C 2.020 176.642 174.600 0.037 0.000 1.020 422 S CA 0.737 59.008 58.200 0.119 0.000 0.965 422 S CB -0.068 63.277 63.200 0.242 0.000 0.798 422 S HN 0.194 nan 8.310 nan 0.000 0.488 423 I N 1.045 121.613 120.570 -0.003 0.000 2.252 423 I HA -0.139 4.033 4.170 0.002 0.000 0.245 423 I C 2.661 178.777 176.117 -0.001 0.000 1.102 423 I CA 1.025 62.311 61.300 -0.022 0.000 1.385 423 I CB -0.199 37.776 38.000 -0.041 0.000 1.064 423 I HN 0.150 nan 8.210 nan 0.000 0.414 424 R N 0.833 121.339 120.500 0.011 0.000 2.105 424 R HA -0.181 4.160 4.340 0.002 0.000 0.239 424 R C 2.017 178.328 176.300 0.018 0.000 1.135 424 R CA 1.502 57.611 56.100 0.015 0.000 0.967 424 R CB -0.133 30.180 30.300 0.022 0.000 0.861 424 R HN 0.361 nan 8.270 nan 0.000 0.442 425 N N 0.352 119.067 118.700 0.025 0.000 2.309 425 N HA -0.125 4.616 4.740 0.002 0.000 0.182 425 N C 1.570 177.091 175.510 0.018 0.000 1.018 425 N CA 0.833 53.899 53.050 0.026 0.000 0.876 425 N CB -0.028 38.483 38.487 0.039 0.000 0.972 425 N HN 0.279 nan 8.380 nan 0.000 0.434 426 L N -0.295 120.935 121.223 0.013 0.000 2.217 426 L HA -0.002 4.339 4.340 0.002 0.000 0.211 426 L C 1.182 178.054 176.870 0.003 0.000 1.107 426 L CA 0.742 55.584 54.840 0.005 0.000 0.783 426 L CB -0.452 41.604 42.059 -0.005 0.000 0.919 426 L HN 0.269 nan 8.230 nan 0.000 0.442 427 G N -0.148 108.655 108.800 0.004 0.000 2.153 427 G HA2 -0.310 3.651 3.960 0.002 0.000 0.252 427 G HA3 -0.310 3.651 3.960 0.002 0.000 0.252 427 G C 0.985 175.886 174.900 0.003 0.000 0.994 427 G CA 0.689 45.792 45.100 0.005 0.000 0.698 427 G HN 0.323 nan 8.290 nan 0.000 0.521 428 K N -1.316 119.083 120.400 -0.001 0.000 2.168 428 K HA 0.442 4.763 4.320 0.002 0.000 0.201 428 K C 0.876 177.476 176.600 0.000 0.000 1.049 428 K CA 1.132 57.418 56.287 -0.002 0.000 0.974 428 K CB 0.551 33.045 32.500 -0.009 0.000 0.792 428 K HN 0.436 nan 8.250 nan 0.000 0.463 429 V N 0.995 120.907 119.914 -0.002 0.000 3.007 429 V HA 0.259 4.381 4.120 0.002 0.000 0.311 429 V C -2.019 174.077 176.094 0.003 0.000 1.120 429 V CA -0.881 61.420 62.300 0.002 0.000 0.980 429 V CB 2.141 33.963 31.823 -0.002 0.000 1.033 429 V HN 0.054 nan 8.190 nan 0.000 0.429 430 D N 6.011 126.416 120.400 0.008 0.000 2.454 430 D HA 0.491 5.133 4.640 0.002 0.000 0.225 430 D C -2.455 173.852 176.300 0.012 0.000 1.081 430 D CA -1.482 52.525 54.000 0.011 0.000 0.864 430 D CB 1.710 42.517 40.800 0.013 0.000 1.040 430 D HN 0.463 nan 8.370 nan 0.000 0.517 431 P HA 0.305 nan 4.420 nan 0.000 0.275 431 P C -0.268 177.042 177.300 0.018 0.000 1.228 431 P CA -0.385 62.724 63.100 0.014 0.000 0.786 431 P CB 1.253 32.960 31.700 0.011 0.000 0.927 432 I N 2.580 123.162 120.570 0.020 0.000 2.339 432 I HA 0.194 4.365 4.170 0.002 0.000 0.290 432 I C 0.321 176.448 176.117 0.017 0.000 0.994 432 I CA -1.021 60.291 61.300 0.019 0.000 1.191 432 I CB 1.353 39.366 38.000 0.020 0.000 1.343 432 I HN 0.192 nan 8.210 nan 0.000 0.458 433 L N 8.657 129.888 121.223 0.015 0.000 2.281 433 L HA 0.381 4.722 4.340 0.002 0.000 0.285 433 L C -0.476 176.398 176.870 0.005 0.000 1.074 433 L CA 0.104 54.950 54.840 0.010 0.000 0.817 433 L CB 1.022 43.089 42.059 0.013 0.000 1.168 433 L HN 0.350 nan 8.230 nan 0.000 0.434 434 V N 5.702 125.615 119.914 -0.002 0.000 2.257 434 V HA 0.239 4.361 4.120 0.002 0.000 0.269 434 V C 0.955 177.041 176.094 -0.014 0.000 1.040 434 V CA -0.039 62.257 62.300 -0.006 0.000 0.813 434 V CB 0.529 32.347 31.823 -0.009 0.000 1.065 434 V HN 0.993 nan 8.190 nan 0.000 0.457 435 S N 1.734 117.428 115.700 -0.009 0.000 2.436 435 S HA -0.024 4.447 4.470 0.002 0.000 0.228 435 S C 0.896 175.488 174.600 -0.014 0.000 1.014 435 S CA 0.623 58.817 58.200 -0.011 0.000 0.950 435 S CB 0.011 63.209 63.200 -0.004 0.000 0.784 435 S HN 0.806 nan 8.310 nan 0.000 0.504 436 D N 1.766 122.159 120.400 -0.012 0.000 2.467 436 D HA 0.184 4.825 4.640 0.002 0.000 0.220 436 D C 0.940 177.228 176.300 -0.020 0.000 1.103 436 D CA -0.048 53.944 54.000 -0.014 0.000 0.886 436 D CB 1.173 41.967 40.800 -0.009 0.000 1.025 436 D HN 0.203 nan 8.370 nan 0.000 0.514 437 T N -0.580 113.957 114.554 -0.028 0.000 3.051 437 T HA -0.161 4.190 4.350 0.002 0.000 0.269 437 T C 1.770 176.442 174.700 -0.045 0.000 1.127 437 T CA 0.976 63.051 62.100 -0.041 0.000 1.107 437 T CB -0.133 68.705 68.868 -0.050 0.000 0.898 437 T HN 0.272 nan 8.240 nan 0.000 0.517 438 S N 1.383 117.062 115.700 -0.034 0.000 2.515 438 S HA -0.053 4.418 4.470 0.002 0.000 0.231 438 S C 1.848 176.435 174.600 -0.021 0.000 0.987 438 S CA 0.154 58.335 58.200 -0.031 0.000 0.936 438 S CB -0.440 62.747 63.200 -0.022 0.000 0.766 438 S HN 0.668 nan 8.310 nan 0.000 0.528 439 Q N -0.115 119.676 119.800 -0.015 0.000 2.319 439 Q HA 0.297 4.638 4.340 0.002 0.000 0.202 439 Q C 1.661 177.663 176.000 0.003 0.000 0.896 439 Q CA -0.061 55.742 55.803 -0.001 0.000 0.942 439 Q CB -0.118 28.622 28.738 0.002 0.000 1.083 439 Q HN 0.476 nan 8.270 nan 0.000 0.510 440 L N 0.974 122.187 121.223 -0.016 0.000 2.042 440 L HA -0.083 4.258 4.340 0.002 0.000 0.210 440 L C 2.034 178.914 176.870 0.016 0.000 1.076 440 L CA 2.285 57.114 54.840 -0.017 0.000 0.749 440 L CB -0.883 41.139 42.059 -0.060 0.000 0.893 440 L HN 0.180 nan 8.230 nan 0.000 0.432 441 G N -1.145 107.663 108.800 0.013 0.000 2.421 441 G HA2 -0.268 3.694 3.960 0.002 0.000 0.216 441 G HA3 -0.268 3.694 3.960 0.002 0.000 0.216 441 G C 1.333 176.340 174.900 0.179 0.000 1.171 441 G CA 0.877 46.051 45.100 0.123 0.000 0.775 441 G HN 0.459 nan 8.290 nan 0.000 0.543 442 D N 0.163 120.624 120.400 0.101 0.000 2.117 442 D HA -0.079 4.562 4.640 0.002 0.000 0.198 442 D C 2.775 179.117 176.300 0.069 0.000 0.982 442 D CA 0.811 54.858 54.000 0.079 0.000 0.828 442 D CB -0.157 40.672 40.800 0.049 0.000 0.967 442 D HN 0.196 nan 8.370 nan 0.000 0.464 443 V N 1.465 121.415 119.914 0.060 0.000 2.343 443 V HA -0.201 3.920 4.120 0.002 0.000 0.247 443 V C 2.679 178.814 176.094 0.069 0.000 1.051 443 V CA 1.020 63.351 62.300 0.051 0.000 1.036 443 V CB -0.380 31.464 31.823 0.035 0.000 0.654 443 V HN 0.181 nan 8.190 nan 0.000 0.451 444 L N -0.312 120.973 121.223 0.104 0.000 2.017 444 L HA -0.213 4.128 4.340 0.002 0.000 0.208 444 L C 2.408 179.347 176.870 0.116 0.000 1.073 444 L CA 1.807 56.731 54.840 0.141 0.000 0.745 444 L CB -0.572 41.640 42.059 0.255 0.000 0.894 444 L HN 0.347 nan 8.230 nan 0.000 0.432 445 D N -0.666 119.803 120.400 0.115 0.000 2.221 445 D HA -0.224 4.417 4.640 0.002 0.000 0.204 445 D C 2.203 178.516 176.300 0.021 0.000 0.982 445 D CA 1.067 55.088 54.000 0.036 0.000 0.857 445 D CB 0.055 40.872 40.800 0.029 0.000 0.934 445 D HN 0.384 nan 8.370 nan 0.000 0.475 446 Q N -0.535 119.287 119.800 0.036 0.000 2.187 446 Q HA 0.002 4.343 4.340 0.002 0.000 0.199 446 Q C 2.103 178.119 176.000 0.027 0.000 0.957 446 Q CA 0.673 56.492 55.803 0.026 0.000 0.857 446 Q CB 0.209 28.964 28.738 0.028 0.000 0.929 446 Q HN 0.469 nan 8.270 nan 0.000 0.453 447 I N -3.097 117.496 120.570 0.037 0.000 3.956 447 I HA 0.272 4.444 4.170 0.002 0.000 0.333 447 I C 0.187 176.330 176.117 0.043 0.000 1.302 447 I CA -0.311 61.012 61.300 0.038 0.000 1.122 447 I CB 0.502 38.527 38.000 0.042 0.000 1.013 447 I HN -0.128 nan 8.210 nan 0.000 0.405 448 I N 2.233 122.826 120.570 0.039 0.000 2.588 448 I HA 0.150 4.321 4.170 0.002 0.000 0.283 448 I C 0.096 176.230 176.117 0.029 0.000 1.119 448 I CA 0.539 61.861 61.300 0.037 0.000 1.419 448 I CB 0.781 38.786 38.000 0.008 0.000 1.394 448 I HN 0.367 nan 8.210 nan 0.000 0.562 449 Q N 3.732 123.560 119.800 0.047 0.000 2.399 449 Q HA 0.264 4.605 4.340 0.002 0.000 0.276 449 Q C -1.104 174.930 176.000 0.057 0.000 1.098 449 Q CA -1.016 54.814 55.803 0.044 0.000 0.827 449 Q CB 1.878 30.647 28.738 0.052 0.000 1.386 449 Q HN 0.486 nan 8.270 nan 0.000 0.443 450 D N -0.353 120.072 120.400 0.043 0.000 2.487 450 D HA 0.206 4.847 4.640 0.002 0.000 0.243 450 D C 0.802 177.149 176.300 0.079 0.000 1.154 450 D CA 2.101 56.128 54.000 0.046 0.000 0.876 450 D CB 0.237 41.050 40.800 0.021 0.000 1.161 450 D HN 0.695 nan 8.370 nan 0.000 0.478 451 G N 3.082 111.952 108.800 0.117 0.000 2.176 451 G HA2 -0.252 3.709 3.960 0.002 0.000 0.253 451 G HA3 -0.252 3.709 3.960 0.002 0.000 0.253 451 G C 0.003 175.154 174.900 0.419 0.000 0.979 451 G CA 0.007 45.215 45.100 0.179 0.000 0.641 451 G HN 0.632 nan 8.290 nan 0.000 0.530 452 D N -0.055 120.540 120.400 0.325 0.000 2.488 452 D HA 0.336 4.977 4.640 0.002 0.000 0.238 452 D C 0.656 177.149 176.300 0.321 0.000 1.138 452 D CA 0.105 54.300 54.000 0.324 0.000 0.873 452 D CB 1.130 42.035 40.800 0.174 0.000 1.183 452 D HN 0.361 nan 8.370 nan 0.000 0.458 453 L N 3.644 124.913 121.223 0.077 0.000 2.257 453 L HA 0.371 4.712 4.340 0.002 0.000 0.290 453 L C -0.645 176.122 176.870 -0.173 0.000 1.044 453 L CA -0.443 54.168 54.840 -0.382 0.000 0.810 453 L CB 0.338 41.708 42.059 -1.147 0.000 1.193 453 L HN 0.291 nan 8.230 nan 0.000 0.425 454 I N 6.207 126.718 120.570 -0.098 0.000 2.304 454 I HA 0.240 4.412 4.170 0.002 0.000 0.291 454 I C -0.463 175.586 176.117 -0.114 0.000 1.018 454 I CA -0.285 60.992 61.300 -0.039 0.000 1.260 454 I CB 1.210 39.255 38.000 0.075 0.000 1.390 454 I HN 0.476 nan 8.210 nan 0.000 0.475 455 L N 6.548 127.704 121.223 -0.112 0.000 2.255 455 L HA 0.494 4.835 4.340 0.002 0.000 0.289 455 L C 0.443 177.268 176.870 -0.074 0.000 1.046 455 L CA -0.455 54.301 54.840 -0.141 0.000 0.816 455 L CB 1.230 43.212 42.059 -0.129 0.000 1.197 455 L HN 0.688 nan 8.230 nan 0.000 0.427 456 A N 4.130 126.895 122.820 -0.093 0.000 2.343 456 A HA 0.432 4.753 4.320 0.002 0.000 0.305 456 A C -0.296 177.259 177.584 -0.048 0.000 1.308 456 A CA -0.235 51.759 52.037 -0.071 0.000 0.949 456 A CB 0.401 19.342 19.000 -0.098 0.000 1.148 456 A HN 0.647 nan 8.150 nan 0.000 0.545 457 Q N 1.841 121.645 119.800 0.007 0.000 2.333 457 Q HA 0.636 4.977 4.340 0.002 0.000 0.268 457 Q C -0.141 175.872 176.000 0.022 0.000 1.007 457 Q CA 0.661 56.521 55.803 0.096 0.000 0.810 457 Q CB 1.655 30.552 28.738 0.264 0.000 1.264 457 Q HN 1.570 nan 8.270 nan 0.000 0.452 458 G N 1.185 109.965 108.800 -0.033 0.000 2.361 458 G HA2 0.384 4.345 3.960 0.002 0.000 0.305 458 G HA3 0.384 4.345 3.960 0.002 0.000 0.305 458 G C -0.745 173.945 174.900 -0.350 0.000 1.367 458 G CA -0.159 44.824 45.100 -0.195 0.000 0.951 458 G HN 0.695 nan 8.290 nan 0.000 0.615 459 A N -0.803 121.679 122.820 -0.564 0.000 2.303 459 A HA 0.702 5.023 4.320 0.002 0.000 0.217 459 A C 1.543 178.746 177.584 -0.635 0.000 1.205 459 A CA 1.829 53.233 52.037 -1.055 0.000 0.875 459 A CB -0.231 17.757 19.000 -1.687 0.000 0.910 459 A HN 1.941 nan 8.150 nan 0.000 0.501 460 G N -0.392 108.092 108.800 -0.527 0.000 3.022 460 G HA2 0.307 4.268 3.960 0.002 0.000 0.157 460 G HA3 0.307 4.268 3.960 0.002 0.000 0.157 460 G C 1.198 175.676 174.900 -0.704 0.000 1.468 460 G CA 0.710 45.230 45.100 -0.966 0.000 1.058 460 G HN 0.597 nan 8.290 nan 0.000 0.581 461 S N -0.708 114.556 115.700 -0.726 0.000 2.603 461 S HA -0.042 4.429 4.470 0.002 0.000 0.229 461 S C 2.121 176.615 174.600 -0.177 0.000 0.972 461 S CA 0.818 58.861 58.200 -0.261 0.000 0.935 461 S CB 0.183 63.375 63.200 -0.015 0.000 0.769 461 S HN 0.434 nan 8.310 nan 0.000 0.536 462 V N 1.726 121.511 119.914 -0.215 0.000 2.453 462 V HA -0.189 3.933 4.120 0.002 0.000 0.252 462 V C 2.623 178.635 176.094 -0.137 0.000 1.068 462 V CA 2.358 64.557 62.300 -0.169 0.000 1.070 462 V CB -0.787 30.920 31.823 -0.194 0.000 0.664 462 V HN 0.686 nan 8.190 nan 0.000 0.461 463 S N -1.056 114.569 115.700 -0.124 0.000 2.383 463 S HA -0.194 4.277 4.470 0.002 0.000 0.227 463 S C 1.967 176.513 174.600 -0.090 0.000 1.026 463 S CA 1.821 59.968 58.200 -0.088 0.000 0.981 463 S CB -0.231 62.940 63.200 -0.049 0.000 0.818 463 S HN 0.722 nan 8.310 nan 0.000 0.472 464 K N 0.593 120.939 120.400 -0.090 0.000 2.057 464 K HA 0.019 4.341 4.320 0.002 0.000 0.207 464 K C 1.921 178.461 176.600 -0.100 0.000 1.049 464 K CA 1.616 57.855 56.287 -0.080 0.000 0.931 464 K CB -0.274 32.189 32.500 -0.061 0.000 0.714 464 K HN 0.401 nan 8.250 nan 0.000 0.440 465 I N 0.925 121.428 120.570 -0.112 0.000 2.202 465 I HA -0.300 3.871 4.170 0.002 0.000 0.242 465 I C 2.499 178.506 176.117 -0.184 0.000 1.091 465 I CA 1.426 62.646 61.300 -0.133 0.000 1.368 465 I CB -0.396 37.532 38.000 -0.120 0.000 1.058 465 I HN 0.212 nan 8.210 nan 0.000 0.410 466 S N 1.025 116.617 115.700 -0.179 0.000 2.382 466 S HA -0.243 4.228 4.470 0.002 0.000 0.228 466 S C 2.080 176.540 174.600 -0.234 0.000 1.027 466 S CA 1.176 59.243 58.200 -0.222 0.000 0.991 466 S CB -0.457 62.645 63.200 -0.165 0.000 0.823 466 S HN 0.356 nan 8.310 nan 0.000 0.469 467 R N 1.990 122.392 120.500 -0.163 0.000 2.073 467 R HA 0.045 4.387 4.340 0.002 0.000 0.234 467 R C 2.477 178.673 176.300 -0.174 0.000 1.134 467 R CA 1.879 57.899 56.100 -0.134 0.000 0.952 467 R CB -1.406 28.843 30.300 -0.086 0.000 0.850 467 R HN 0.455 nan 8.270 nan 0.000 0.433 468 G N 0.518 109.211 108.800 -0.179 0.000 2.432 468 G HA2 -0.228 3.733 3.960 0.002 0.000 0.219 468 G HA3 -0.228 3.733 3.960 0.002 0.000 0.219 468 G C 1.293 176.016 174.900 -0.294 0.000 1.135 468 G CA 0.791 45.780 45.100 -0.186 0.000 0.767 468 G HN 0.332 nan 8.290 nan 0.000 0.550 469 L N 1.041 122.009 121.223 -0.426 0.000 2.072 469 L HA 0.276 4.617 4.340 0.002 0.000 0.205 469 L C 3.012 179.276 176.870 -1.011 0.000 1.079 469 L CA 1.956 56.336 54.840 -0.765 0.000 0.752 469 L CB -0.540 41.014 42.059 -0.841 0.000 0.906 469 L HN 0.202 nan 8.230 nan 0.000 0.436 470 A N -0.944 121.453 122.820 -0.706 0.000 1.898 470 A HA -0.203 4.118 4.320 0.002 0.000 0.216 470 A C 2.251 179.635 177.584 -0.334 0.000 1.181 470 A CA 1.539 53.174 52.037 -0.670 0.000 0.620 470 A CB -0.586 18.273 19.000 -0.235 0.000 0.819 470 A HN 0.503 nan 8.150 nan 0.000 0.442 471 E N 0.575 120.663 120.200 -0.187 0.000 2.106 471 E HA -0.142 4.210 4.350 0.002 0.000 0.192 471 E C 2.164 178.738 176.600 -0.044 0.000 0.984 471 E CA 1.615 57.982 56.400 -0.056 0.000 0.806 471 E CB -0.217 29.453 29.700 -0.050 0.000 0.750 471 E HN 0.683 nan 8.360 nan 0.000 0.458 472 S N -0.892 114.731 115.700 -0.128 0.000 2.423 472 S HA -0.075 4.396 4.470 0.002 0.000 0.231 472 S C 0.670 175.339 174.600 0.116 0.000 1.014 472 S CA 0.115 58.288 58.200 -0.045 0.000 0.965 472 S CB -0.358 62.775 63.200 -0.112 0.000 0.785 472 S HN 0.202 nan 8.310 nan 0.000 0.495 473 W N 0.000 121.188 121.300 -0.187 0.000 2.388 473 W HA 0.000 4.661 4.660 0.002 0.000 0.303 473 W CA 0.000 57.238 57.345 -0.178 0.000 1.226 473 W CB 0.000 29.139 29.460 -0.536 0.000 1.126 473 W HN 0.000 nan 8.180 nan 0.000 0.535