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 3ie7_1_A DATA FIRST_RESID -2 DATA SEQUENCE SLXXIYTITL NPAIDRLLFI RGELEKRKTN RVIKTEFDCG GKGLHVSGVL DATA SEQUENCE SKFGIKNEAL GIAGSDNLDK LYAILKEKHI NHDFLVEAGT STRECFVVLS DATA SEQUENCE DDTNGSTXIP EAGFTVSQTN KDNLLKQIAK KVKKEDXVVI AGSPPPHYTL DATA SEQUENCE SDFKELLRTV KATGAFLGCD NSGEYLNLAV EXGVDFIKPN EDEVIAILDE DATA SEQUENCE KTNSLEENIR TLAEKIPYLV VSLGAKGSIC AHNGKLYQVI PPKVQERNDT DATA SEQUENCE GAGDVFVGAF IAGLAXNXPI TETLKVATGC SASKVXQQDS SSFDLEAAGK DATA SEQUENCE LKNQVSIIQL E 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.558 174.600 -0.070 0.000 1.055 -2 S CA 0.000 58.183 58.200 -0.029 0.000 1.107 -2 S CB 0.000 63.177 63.200 -0.038 0.000 0.593 3 Y N 3.142 123.435 120.300 -0.012 0.000 2.377 3 Y HA 0.667 3.652 4.550 -2.610 0.000 0.339 3 Y C 0.540 176.438 175.900 -0.003 0.000 1.011 3 Y CA -0.671 57.419 58.100 -0.016 0.000 1.093 3 Y CB 2.314 40.761 38.460 -0.021 0.000 1.201 3 Y HN 0.507 nan 8.280 nan 0.000 0.455 4 T N 0.964 115.597 114.554 0.132 0.000 2.888 4 T HA 0.798 3.583 4.350 -2.609 0.000 0.284 4 T C -0.738 173.991 174.700 0.048 0.000 1.017 4 T CA -0.738 61.416 62.100 0.090 0.000 1.022 4 T CB 1.246 70.159 68.868 0.075 0.000 1.013 4 T HN 0.477 nan 8.240 nan 0.000 0.465 5 I N 2.166 122.759 120.570 0.040 0.000 2.410 5 I HA 0.326 2.930 4.170 -2.609 0.000 0.286 5 I C -0.339 175.784 176.117 0.010 0.000 1.009 5 I CA -0.749 60.547 61.300 -0.006 0.000 1.111 5 I CB 2.176 40.172 38.000 -0.007 0.000 1.262 5 I HN 0.717 nan 8.210 nan 0.000 0.443 6 T N 7.062 121.624 114.554 0.012 0.000 2.963 6 T HA 0.368 3.153 4.350 -2.609 0.000 0.343 6 T C 1.196 175.916 174.700 0.033 0.000 1.146 6 T CA -0.411 61.720 62.100 0.053 0.000 1.016 6 T CB 0.870 69.831 68.868 0.155 0.000 1.046 6 T HN 0.415 nan 8.240 nan 0.000 0.496 7 L N 1.863 123.036 121.223 -0.083 0.000 2.291 7 L HA 0.145 2.920 4.340 -2.609 0.000 0.214 7 L C 1.264 178.012 176.870 -0.203 0.000 1.120 7 L CA 0.709 55.436 54.840 -0.190 0.000 0.799 7 L CB 0.009 41.804 42.059 -0.439 0.000 0.925 7 L HN 0.410 nan 8.230 nan 0.000 0.446 8 N N -0.052 118.545 118.700 -0.173 0.000 2.765 8 N HA 0.202 3.377 4.740 -2.609 0.000 0.277 8 N C -2.536 172.886 175.510 -0.146 0.000 1.750 8 N CA -1.856 51.063 53.050 -0.219 0.000 0.827 8 N CB 0.815 39.166 38.487 -0.227 0.000 1.200 8 N HN -0.093 nan 8.380 nan 0.000 0.494 9 P HA 0.337 nan 4.420 nan 0.000 0.272 9 P C -0.933 176.294 177.300 -0.122 0.000 1.240 9 P CA -0.274 62.776 63.100 -0.084 0.000 0.791 9 P CB 1.441 33.090 31.700 -0.084 0.000 0.978 10 A N 0.983 123.729 122.820 -0.123 0.000 2.602 10 A HA 0.707 3.462 4.320 -2.609 0.000 0.290 10 A C -1.164 176.352 177.584 -0.112 0.000 1.114 10 A CA -0.746 51.222 52.037 -0.116 0.000 0.683 10 A CB 1.048 19.983 19.000 -0.109 0.000 1.281 10 A HN 0.423 nan 8.150 nan 0.000 0.416 11 I N 1.731 122.241 120.570 -0.100 0.000 2.382 11 I HA 0.278 2.882 4.170 -2.609 0.000 0.286 11 I C -1.158 174.930 176.117 -0.048 0.000 1.002 11 I CA -0.598 60.670 61.300 -0.053 0.000 1.135 11 I CB 1.732 39.704 38.000 -0.046 0.000 1.288 11 I HN 0.489 nan 8.210 nan 0.000 0.448 12 D N 6.575 126.980 120.400 0.008 0.000 2.249 12 D HA 0.253 3.328 4.640 -2.609 0.000 0.246 12 D C -0.106 176.203 176.300 0.016 0.000 1.114 12 D CA -0.212 53.773 54.000 -0.025 0.000 0.854 12 D CB 1.712 42.525 40.800 0.021 0.000 1.132 12 D HN 0.348 nan 8.370 nan 0.000 0.461 13 R N 3.010 123.453 120.500 -0.096 0.000 2.288 13 R HA 0.300 3.075 4.340 -2.609 0.000 0.326 13 R C -1.053 175.149 176.300 -0.162 0.000 0.959 13 R CA -0.780 55.206 56.100 -0.189 0.000 0.834 13 R CB 0.363 30.651 30.300 -0.020 0.000 1.157 13 R HN 0.183 nan 8.270 nan 0.000 0.470 14 L N 6.062 127.147 121.223 -0.230 0.000 2.281 14 L HA 0.309 3.084 4.340 -2.609 0.000 0.285 14 L C -0.380 176.349 176.870 -0.235 0.000 1.074 14 L CA 0.126 54.818 54.840 -0.246 0.000 0.817 14 L CB 1.240 43.153 42.059 -0.244 0.000 1.168 14 L HN 0.483 nan 8.230 nan 0.000 0.434 15 L N 4.780 125.860 121.223 -0.239 0.000 2.277 15 L HA 0.417 3.192 4.340 -2.609 0.000 0.284 15 L C -0.651 176.106 176.870 -0.189 0.000 1.028 15 L CA -0.316 54.453 54.840 -0.118 0.000 0.835 15 L CB 0.301 42.333 42.059 -0.045 0.000 1.215 15 L HN 0.350 nan 8.230 nan 0.000 0.425 16 F N 4.694 124.625 119.950 -0.032 0.000 2.424 16 F HA 0.456 3.422 4.527 -2.603 0.000 0.356 16 F C 0.714 176.504 175.800 -0.016 0.000 1.110 16 F CA -0.431 57.557 58.000 -0.021 0.000 1.161 16 F CB 0.791 39.778 39.000 -0.023 0.000 1.115 16 F HN 0.337 nan 8.300 nan 0.000 0.507 17 I N 0.103 120.747 120.570 0.124 0.000 3.264 17 I HA 0.669 3.274 4.170 -2.609 0.000 0.309 17 I C -0.713 175.448 176.117 0.074 0.000 1.099 17 I CA -1.474 59.871 61.300 0.075 0.000 0.989 17 I CB 1.953 39.970 38.000 0.027 0.000 1.250 17 I HN 0.320 nan 8.210 nan 0.000 0.478 18 R N 1.461 121.989 120.500 0.046 0.000 2.312 18 R HA 0.548 3.323 4.340 -2.609 0.000 0.311 18 R C 0.279 176.596 176.300 0.027 0.000 1.004 18 R CA 0.321 56.444 56.100 0.038 0.000 0.902 18 R CB 1.273 31.589 30.300 0.027 0.000 1.073 18 R HN 1.080 nan 8.270 nan 0.000 0.457 19 G N 2.548 111.364 108.800 0.027 0.000 2.601 19 G HA2 -0.270 2.125 3.960 -2.609 0.000 0.261 19 G HA3 -0.270 2.125 3.960 -2.609 0.000 0.261 19 G C -0.443 174.465 174.900 0.013 0.000 1.289 19 G CA -0.493 44.618 45.100 0.018 0.000 0.920 19 G HN 0.536 nan 8.290 nan 0.000 0.571 20 E N -0.442 119.762 120.200 0.007 0.000 2.392 20 E HA 0.353 3.138 4.350 -2.609 0.000 0.259 20 E C 0.378 176.977 176.600 -0.002 0.000 1.108 20 E CA -0.702 55.699 56.400 0.002 0.000 0.916 20 E CB 1.394 31.095 29.700 0.001 0.000 0.989 20 E HN 0.632 nan 8.360 nan 0.000 0.432 21 L N 3.249 124.468 121.223 -0.007 0.000 2.342 21 L HA 0.088 2.863 4.340 -2.609 0.000 0.285 21 L C -0.263 176.601 176.870 -0.009 0.000 1.095 21 L CA 0.122 54.956 54.840 -0.010 0.000 0.843 21 L CB 0.152 42.202 42.059 -0.016 0.000 1.201 21 L HN 0.163 nan 8.230 nan 0.000 0.445 22 E N 5.490 125.686 120.200 -0.008 0.000 2.130 22 E HA 0.165 2.950 4.350 -2.609 0.000 0.284 22 E C -0.363 176.232 176.600 -0.010 0.000 1.018 22 E CA -0.377 56.019 56.400 -0.007 0.000 0.817 22 E CB 0.786 30.483 29.700 -0.005 0.000 1.078 22 E HN 0.600 nan 8.360 nan 0.000 0.396 23 K N 1.543 121.938 120.400 -0.009 0.000 2.319 23 K HA 0.226 2.980 4.320 -2.609 0.000 0.265 23 K C 0.076 176.670 176.600 -0.010 0.000 1.000 23 K CA -0.456 55.825 56.287 -0.011 0.000 0.943 23 K CB 0.970 33.464 32.500 -0.009 0.000 0.950 23 K HN 0.376 nan 8.250 nan 0.000 0.485 24 R N -0.680 119.813 120.500 -0.012 0.000 3.953 24 R HA -0.144 2.630 4.340 -2.609 0.000 0.340 24 R C -0.657 175.637 176.300 -0.010 0.000 1.195 24 R CA 1.236 57.330 56.100 -0.011 0.000 0.929 24 R CB -1.075 29.220 30.300 -0.008 0.000 1.402 24 R HN 0.625 nan 8.270 nan 0.000 0.540 25 K N -0.326 120.068 120.400 -0.011 0.000 2.433 25 K HA 0.414 3.169 4.320 -2.609 0.000 0.252 25 K C -0.195 176.397 176.600 -0.012 0.000 1.015 25 K CA -0.699 55.583 56.287 -0.010 0.000 0.860 25 K CB 1.671 34.167 32.500 -0.007 0.000 1.359 25 K HN -0.161 nan 8.250 nan 0.000 0.452 26 T N 2.081 116.629 114.554 -0.010 0.000 2.743 26 T HA 0.298 3.082 4.350 -2.609 0.000 0.293 26 T C -0.160 174.535 174.700 -0.009 0.000 0.945 26 T CA -0.475 61.619 62.100 -0.011 0.000 1.030 26 T CB 0.014 68.876 68.868 -0.009 0.000 0.912 26 T HN 0.219 nan 8.240 nan 0.000 0.483 27 N N 4.246 122.939 118.700 -0.012 0.000 2.707 27 N HA 0.179 3.354 4.740 -2.609 0.000 0.235 27 N C -0.196 175.312 175.510 -0.004 0.000 1.028 27 N CA -0.518 52.527 53.050 -0.007 0.000 0.906 27 N CB 1.384 39.864 38.487 -0.011 0.000 1.131 27 N HN 0.371 nan 8.380 nan 0.000 0.509 28 R N 0.565 121.067 120.500 0.003 0.000 2.570 28 R HA 0.143 2.917 4.340 -2.609 0.000 0.277 28 R C 0.064 176.375 176.300 0.018 0.000 1.039 28 R CA -0.095 56.010 56.100 0.008 0.000 1.065 28 R CB 0.732 31.038 30.300 0.009 0.000 0.964 28 R HN 0.163 nan 8.270 nan 0.000 0.428 29 V N 5.520 125.447 119.914 0.021 0.000 2.432 29 V HA 0.003 2.557 4.120 -2.609 0.000 0.271 29 V C 1.537 177.662 176.094 0.051 0.000 1.046 29 V CA -0.170 62.155 62.300 0.041 0.000 0.945 29 V CB 1.086 32.929 31.823 0.034 0.000 0.992 29 V HN 0.699 nan 8.190 nan 0.000 0.471 30 I N 3.731 124.346 120.570 0.074 0.000 2.406 30 I HA 0.041 2.646 4.170 -2.609 0.000 0.249 30 I C 0.988 177.129 176.117 0.040 0.000 1.122 30 I CA 1.286 62.617 61.300 0.052 0.000 1.431 30 I CB -0.745 37.286 38.000 0.052 0.000 1.087 30 I HN 0.799 nan 8.210 nan 0.000 0.424 31 K N -0.738 119.714 120.400 0.085 0.000 2.597 31 K HA 0.495 3.250 4.320 -2.609 0.000 0.282 31 K C -1.173 175.519 176.600 0.154 0.000 0.975 31 K CA -0.726 55.595 56.287 0.057 0.000 0.867 31 K CB 1.530 33.990 32.500 -0.066 0.000 1.465 31 K HN -0.253 nan 8.250 nan 0.000 0.417 32 T N 1.285 115.884 114.554 0.075 0.000 2.848 32 T HA 0.400 3.185 4.350 -2.609 0.000 0.285 32 T C -1.252 173.400 174.700 -0.080 0.000 0.995 32 T CA -0.738 61.359 62.100 -0.005 0.000 0.970 32 T CB 1.392 70.204 68.868 -0.094 0.000 0.976 32 T HN 0.557 nan 8.240 nan 0.000 0.441 33 E N 1.354 121.470 120.200 -0.140 0.000 2.369 33 E HA 0.622 3.407 4.350 -2.609 0.000 0.270 33 E C -1.354 175.007 176.600 -0.399 0.000 0.909 33 E CA -0.830 55.504 56.400 -0.109 0.000 0.775 33 E CB 2.127 31.918 29.700 0.152 0.000 1.270 33 E HN 0.378 nan 8.360 nan 0.000 0.445 34 F N 0.643 120.644 119.950 0.085 0.000 2.546 34 F HA 0.447 3.397 4.527 -2.630 0.000 0.320 34 F C -0.012 175.815 175.800 0.045 0.000 1.076 34 F CA -0.571 57.458 58.000 0.049 0.000 0.928 34 F CB 1.939 40.954 39.000 0.026 0.000 1.189 34 F HN 0.353 nan 8.300 nan 0.000 0.465 35 D N 0.068 120.601 120.400 0.221 0.000 2.596 35 D HA 0.475 3.549 4.640 -2.609 0.000 0.262 35 D C -1.238 175.123 176.300 0.100 0.000 1.210 35 D CA -0.461 53.630 54.000 0.150 0.000 0.873 35 D CB 1.718 42.609 40.800 0.151 0.000 1.408 35 D HN 0.657 nan 8.370 nan 0.000 0.441 36 C N 0.505 119.831 119.300 0.043 0.000 2.459 36 C HA 1.029 3.924 4.460 -2.609 0.000 0.374 36 C C 0.887 175.769 174.990 -0.180 0.000 1.241 36 C CA -0.418 58.562 59.018 -0.065 0.000 2.352 36 C CB 0.249 27.936 27.740 -0.089 0.000 2.490 36 C HN 0.494 nan 8.230 nan 0.000 0.583 37 G N -0.124 108.559 108.800 -0.195 0.000 2.568 37 G HA2 0.826 3.220 3.960 -2.609 0.000 0.313 37 G HA3 0.826 3.220 3.960 -2.609 0.000 0.313 37 G C -0.064 174.693 174.900 -0.238 0.000 1.227 37 G CA -0.199 44.776 45.100 -0.209 0.000 0.979 37 G HN 2.393 nan 8.290 nan 0.000 0.486 38 G N -0.418 108.293 108.800 -0.149 0.000 3.338 38 G HA2 -0.131 2.264 3.960 -2.609 0.000 0.686 38 G HA3 -0.131 2.264 3.960 -2.609 0.000 0.686 38 G C 0.522 175.392 174.900 -0.050 0.000 1.053 38 G CA 0.136 45.189 45.100 -0.079 0.000 0.852 38 G HN 0.767 nan 8.290 nan 0.000 0.545 39 K N 1.255 121.699 120.400 0.073 0.000 2.074 39 K HA -0.139 2.616 4.320 -2.609 0.000 0.209 39 K C 2.818 179.500 176.600 0.135 0.000 1.048 39 K CA 1.875 58.261 56.287 0.166 0.000 0.926 39 K CB -0.134 32.436 32.500 0.116 0.000 0.713 39 K HN 0.778 nan 8.250 nan 0.000 0.444 40 G N 1.401 110.253 108.800 0.086 0.000 2.422 40 G HA2 -0.222 2.173 3.960 -2.609 0.000 0.218 40 G HA3 -0.222 2.173 3.960 -2.609 0.000 0.218 40 G C 1.473 176.431 174.900 0.096 0.000 1.146 40 G CA 0.551 45.707 45.100 0.094 0.000 0.769 40 G HN 0.108 nan 8.290 nan 0.000 0.547 41 L N -0.758 120.497 121.223 0.054 0.000 2.141 41 L HA -0.015 2.759 4.340 -2.609 0.000 0.209 41 L C 2.617 179.509 176.870 0.037 0.000 1.094 41 L CA 0.973 55.835 54.840 0.037 0.000 0.763 41 L CB -0.435 41.603 42.059 -0.035 0.000 0.908 41 L HN 0.299 nan 8.230 nan 0.000 0.437 42 H N -1.459 117.674 119.070 0.105 0.000 2.389 42 H HA -0.135 2.854 4.556 -2.613 0.000 0.299 42 H C 2.293 177.698 175.328 0.128 0.000 1.081 42 H CA 1.187 57.303 56.048 0.112 0.000 1.345 42 H CB 0.175 29.995 29.762 0.097 0.000 1.393 42 H HN 0.035 nan 8.280 nan 0.000 0.520 43 V N -0.210 119.844 119.914 0.233 0.000 2.358 43 V HA -0.244 2.311 4.120 -2.609 0.000 0.246 43 V C 2.290 178.473 176.094 0.149 0.000 1.047 43 V CA 1.820 64.225 62.300 0.175 0.000 1.035 43 V CB -0.365 31.544 31.823 0.143 0.000 0.658 43 V HN 0.377 nan 8.190 nan 0.000 0.452 44 S N 0.474 116.254 115.700 0.134 0.000 2.368 44 S HA -0.132 2.773 4.470 -2.609 0.000 0.225 44 S C 2.089 176.777 174.600 0.147 0.000 1.030 44 S CA 1.401 59.670 58.200 0.115 0.000 0.999 44 S CB -0.651 62.616 63.200 0.111 0.000 0.844 44 S HN 0.702 nan 8.310 nan 0.000 0.459 45 G N 1.091 109.996 108.800 0.175 0.000 2.418 45 G HA2 -0.163 2.232 3.960 -2.609 0.000 0.217 45 G HA3 -0.163 2.232 3.960 -2.609 0.000 0.217 45 G C 1.446 176.493 174.900 0.245 0.000 1.158 45 G CA 1.064 46.282 45.100 0.197 0.000 0.771 45 G HN 0.430 nan 8.290 nan 0.000 0.545 46 V N 0.930 121.022 119.914 0.296 0.000 2.307 46 V HA -0.115 2.439 4.120 -2.609 0.000 0.245 46 V C 2.917 179.267 176.094 0.427 0.000 1.045 46 V CA 1.451 64.007 62.300 0.426 0.000 1.024 46 V CB -0.465 31.568 31.823 0.350 0.000 0.651 46 V HN 0.343 nan 8.190 nan 0.000 0.449 47 L N -0.126 121.244 121.223 0.244 0.000 2.079 47 L HA -0.167 2.608 4.340 -2.609 0.000 0.210 47 L C 2.581 179.573 176.870 0.203 0.000 1.081 47 L CA 1.671 56.606 54.840 0.160 0.000 0.752 47 L CB -0.623 41.454 42.059 0.029 0.000 0.896 47 L HN 0.302 nan 8.230 nan 0.000 0.433 48 S N -0.537 115.266 115.700 0.173 0.000 2.423 48 S HA -0.138 2.766 4.470 -2.609 0.000 0.231 48 S C 1.900 176.575 174.600 0.125 0.000 1.014 48 S CA 0.997 59.278 58.200 0.135 0.000 0.965 48 S CB -0.069 63.218 63.200 0.146 0.000 0.785 48 S HN 0.351 nan 8.310 nan 0.000 0.495 49 K N 0.164 120.659 120.400 0.159 0.000 2.148 49 K HA 0.010 2.765 4.320 -2.609 0.000 0.204 49 K C 1.384 177.979 176.600 -0.009 0.000 1.050 49 K CA 1.052 57.356 56.287 0.028 0.000 0.942 49 K CB -0.214 32.251 32.500 -0.058 0.000 0.724 49 K HN 0.333 nan 8.250 nan 0.000 0.446 50 F N -0.044 119.924 119.950 0.030 0.000 2.456 50 F HA 0.004 2.965 4.527 -2.610 0.000 0.298 50 F C 1.632 177.414 175.800 -0.029 0.000 1.104 50 F CA 1.071 59.076 58.000 0.007 0.000 1.435 50 F CB 0.332 39.335 39.000 0.005 0.000 1.078 50 F HN 0.239 nan 8.300 nan 0.000 0.546 51 G N 0.764 109.646 108.800 0.137 0.000 2.157 51 G HA2 -0.294 2.101 3.960 -2.609 0.000 0.248 51 G HA3 -0.294 2.101 3.960 -2.609 0.000 0.248 51 G C 0.279 175.200 174.900 0.034 0.000 0.979 51 G CA -0.121 45.006 45.100 0.044 0.000 0.650 51 G HN 0.252 nan 8.290 nan 0.000 0.529 52 I N 0.724 121.328 120.570 0.056 0.000 2.474 52 I HA 0.281 2.886 4.170 -2.609 0.000 0.287 52 I C 0.900 176.991 176.117 -0.043 0.000 1.048 52 I CA -0.787 60.503 61.300 -0.016 0.000 1.383 52 I CB 1.059 39.021 38.000 -0.065 0.000 1.412 52 I HN -0.005 nan 8.210 nan 0.000 0.531 53 K N 5.893 126.249 120.400 -0.072 0.000 2.472 53 K HA 0.037 2.791 4.320 -2.609 0.000 0.280 53 K C -0.707 175.810 176.600 -0.138 0.000 1.028 53 K CA 0.488 56.719 56.287 -0.095 0.000 1.045 53 K CB 0.066 32.503 32.500 -0.105 0.000 0.902 53 K HN 0.792 nan 8.250 nan 0.000 0.478 54 N N 0.618 119.236 118.700 -0.136 0.000 2.710 54 N HA 0.332 3.506 4.740 -2.609 0.000 0.257 54 N C -1.859 173.550 175.510 -0.168 0.000 1.327 54 N CA -1.060 51.881 53.050 -0.182 0.000 0.861 54 N CB 1.443 39.870 38.487 -0.100 0.000 1.532 54 N HN 0.478 nan 8.380 nan 0.000 0.499 55 E N 0.241 120.312 120.200 -0.216 0.000 2.308 55 E HA 0.646 3.431 4.350 -2.609 0.000 0.275 55 E C -1.606 174.999 176.600 0.008 0.000 0.890 55 E CA -1.108 55.237 56.400 -0.092 0.000 0.754 55 E CB 1.828 31.469 29.700 -0.100 0.000 1.207 55 E HN 0.802 nan 8.360 nan 0.000 0.426 56 A N 5.129 127.966 122.820 0.029 0.000 2.289 56 A HA 0.602 3.357 4.320 -2.609 0.000 0.298 56 A C -0.767 176.617 177.584 -0.334 0.000 1.208 56 A CA -0.432 51.575 52.037 -0.050 0.000 0.845 56 A CB 0.275 19.326 19.000 0.085 0.000 1.125 56 A HN 0.594 nan 8.150 nan 0.000 0.517 57 L N 1.905 122.894 121.223 -0.389 0.000 2.303 57 L HA 0.917 3.692 4.340 -2.609 0.000 0.266 57 L C 0.697 177.158 176.870 -0.681 0.000 1.011 57 L CA -0.371 54.158 54.840 -0.518 0.000 0.818 57 L CB 2.238 44.182 42.059 -0.193 0.000 1.326 57 L HN 1.044 nan 8.230 nan 0.000 0.435 58 G N 0.826 109.332 108.800 -0.490 0.000 2.356 58 G HA2 0.301 2.696 3.960 -2.609 0.000 0.288 58 G HA3 0.301 2.696 3.960 -2.609 0.000 0.288 58 G C -2.168 172.934 174.900 0.337 0.000 1.302 58 G CA -0.806 44.271 45.100 -0.037 0.000 0.887 58 G HN 0.284 nan 8.290 nan 0.000 0.521 59 I N 1.117 121.944 120.570 0.429 0.000 2.418 59 I HA 0.730 3.334 4.170 -2.609 0.000 0.287 59 I C 0.561 176.953 176.117 0.458 0.000 1.008 59 I CA -0.475 61.087 61.300 0.436 0.000 1.104 59 I CB 1.581 39.788 38.000 0.346 0.000 1.264 59 I HN 1.023 nan 8.210 nan 0.000 0.438 60 A N 3.879 126.931 122.820 0.387 0.000 2.354 60 A HA 0.913 3.668 4.320 -2.609 0.000 0.321 60 A C 0.154 177.835 177.584 0.163 0.000 1.125 60 A CA -0.628 51.536 52.037 0.213 0.000 0.799 60 A CB 1.012 19.896 19.000 -0.193 0.000 1.293 60 A HN 0.763 nan 8.150 nan 0.000 0.452 61 G N -0.134 108.720 108.800 0.090 0.000 2.432 61 G HA2 0.410 2.804 3.960 -2.609 0.000 0.257 61 G HA3 0.410 2.804 3.960 -2.609 0.000 0.257 61 G C 1.019 175.801 174.900 -0.197 0.000 1.238 61 G CA 0.459 45.421 45.100 -0.230 0.000 0.838 61 G HN 1.357 nan 8.290 nan 0.000 0.547 62 S N 1.064 116.636 115.700 -0.213 0.000 2.387 62 S HA -0.118 2.787 4.470 -2.609 0.000 0.226 62 S C 1.428 175.932 174.600 -0.159 0.000 1.026 62 S CA 1.379 59.479 58.200 -0.168 0.000 0.972 62 S CB -0.075 63.046 63.200 -0.132 0.000 0.814 62 S HN 0.493 nan 8.310 nan 0.000 0.477 63 D N 3.052 123.365 120.400 -0.145 0.000 2.263 63 D HA -0.060 3.015 4.640 -2.609 0.000 0.208 63 D C 0.698 176.928 176.300 -0.116 0.000 0.971 63 D CA 1.157 55.089 54.000 -0.114 0.000 0.867 63 D CB -0.370 40.375 40.800 -0.092 0.000 0.929 63 D HN 0.801 nan 8.370 nan 0.000 0.492 64 N N -0.166 118.448 118.700 -0.142 0.000 2.451 64 N HA 0.019 3.194 4.740 -2.609 0.000 0.271 64 N C 0.935 176.308 175.510 -0.229 0.000 1.410 64 N CA -0.276 52.682 53.050 -0.153 0.000 0.884 64 N CB -0.236 38.180 38.487 -0.118 0.000 1.332 64 N HN -0.042 nan 8.380 nan 0.000 0.498 65 L N 0.825 121.871 121.223 -0.294 0.000 2.046 65 L HA -0.038 2.736 4.340 -2.609 0.000 0.208 65 L C 1.261 177.784 176.870 -0.578 0.000 1.077 65 L CA 1.958 56.483 54.840 -0.525 0.000 0.747 65 L CB -0.395 41.335 42.059 -0.549 0.000 0.896 65 L HN 0.114 nan 8.230 nan 0.000 0.432 66 D N -0.502 119.703 120.400 -0.326 0.000 2.149 66 D HA -0.245 2.830 4.640 -2.609 0.000 0.198 66 D C 2.081 178.299 176.300 -0.136 0.000 0.990 66 D CA 1.295 55.188 54.000 -0.178 0.000 0.839 66 D CB -0.023 40.717 40.800 -0.100 0.000 0.948 66 D HN 0.400 nan 8.370 nan 0.000 0.460 67 K N 0.388 120.682 120.400 -0.177 0.000 2.026 67 K HA -0.150 2.605 4.320 -2.609 0.000 0.208 67 K C 2.222 178.723 176.600 -0.165 0.000 1.048 67 K CA 0.610 56.786 56.287 -0.184 0.000 0.929 67 K CB -0.193 32.173 32.500 -0.223 0.000 0.713 67 K HN -0.007 nan 8.250 nan 0.000 0.439 68 L N 0.677 121.786 121.223 -0.190 0.000 2.012 68 L HA -0.203 2.572 4.340 -2.609 0.000 0.210 68 L C 2.095 178.951 176.870 -0.022 0.000 1.073 68 L CA 1.760 56.505 54.840 -0.158 0.000 0.748 68 L CB -0.764 41.143 42.059 -0.253 0.000 0.891 68 L HN 0.232 nan 8.230 nan 0.000 0.431 69 Y N 0.106 120.295 120.300 -0.184 0.000 2.274 69 Y HA -0.092 2.894 4.550 -2.607 0.000 0.290 69 Y C 2.647 178.514 175.900 -0.055 0.000 1.145 69 Y CA 0.607 58.632 58.100 -0.126 0.000 1.203 69 Y CB -1.542 36.914 38.460 -0.007 0.000 0.984 69 Y HN 0.350 nan 8.280 nan 0.000 0.533 70 A N 0.126 123.001 122.820 0.092 0.000 1.898 70 A HA -0.135 2.620 4.320 -2.609 0.000 0.216 70 A C 2.372 179.956 177.584 0.000 0.000 1.181 70 A CA 1.484 53.539 52.037 0.029 0.000 0.620 70 A CB -0.980 18.006 19.000 -0.022 0.000 0.819 70 A HN 0.406 nan 8.150 nan 0.000 0.442 71 I N -0.291 120.268 120.570 -0.019 0.000 2.252 71 I HA -0.237 2.368 4.170 -2.609 0.000 0.245 71 I C 2.300 178.413 176.117 -0.007 0.000 1.102 71 I CA 0.998 62.291 61.300 -0.011 0.000 1.385 71 I CB -0.325 37.666 38.000 -0.014 0.000 1.064 71 I HN 0.284 nan 8.210 nan 0.000 0.414 72 L N 0.577 121.797 121.223 -0.006 0.000 2.083 72 L HA -0.231 2.543 4.340 -2.609 0.000 0.209 72 L C 2.594 179.477 176.870 0.022 0.000 1.083 72 L CA 1.421 56.265 54.840 0.008 0.000 0.752 72 L CB -0.567 41.463 42.059 -0.049 0.000 0.899 72 L HN 0.243 nan 8.230 nan 0.000 0.433 73 K N 0.497 120.907 120.400 0.018 0.000 2.097 73 K HA -0.163 2.592 4.320 -2.609 0.000 0.205 73 K C 1.844 178.340 176.600 -0.174 0.000 1.050 73 K CA 1.143 57.416 56.287 -0.024 0.000 0.938 73 K CB 0.117 32.622 32.500 0.009 0.000 0.718 73 K HN 0.350 nan 8.250 nan 0.000 0.442 74 E N 0.073 120.190 120.200 -0.138 0.000 2.268 74 E HA -0.122 2.663 4.350 -2.609 0.000 0.195 74 E C 1.141 177.577 176.600 -0.274 0.000 0.995 74 E CA 0.689 56.974 56.400 -0.191 0.000 0.836 74 E CB 0.238 29.898 29.700 -0.066 0.000 0.763 74 E HN 0.123 nan 8.360 nan 0.000 0.491 75 K N -0.107 120.190 120.400 -0.172 0.000 2.358 75 K HA 0.066 2.821 4.320 -2.609 0.000 0.197 75 K C -0.298 176.306 176.600 0.008 0.000 1.025 75 K CA 0.021 56.272 56.287 -0.061 0.000 1.104 75 K CB 0.283 32.806 32.500 0.038 0.000 0.855 75 K HN 0.176 nan 8.250 nan 0.000 0.531 76 H N -0.071 119.031 119.070 0.054 0.000 2.839 76 H HA -0.160 2.832 4.556 -2.607 0.000 0.298 76 H C -0.305 175.060 175.328 0.061 0.000 1.224 76 H CA 0.563 56.638 56.048 0.046 0.000 1.144 76 H CB -2.253 27.527 29.762 0.029 0.000 1.372 76 H HN 0.189 nan 8.280 nan 0.000 0.408 77 I N 1.794 122.452 120.570 0.146 0.000 2.312 77 I HA 0.101 2.706 4.170 -2.609 0.000 0.290 77 I C 0.703 176.941 176.117 0.201 0.000 1.008 77 I CA -0.278 61.117 61.300 0.159 0.000 1.226 77 I CB 0.879 38.972 38.000 0.155 0.000 1.371 77 I HN 0.051 nan 8.210 nan 0.000 0.468 78 N N 6.751 125.525 118.700 0.124 0.000 2.529 78 N HA 0.338 3.512 4.740 -2.609 0.000 0.278 78 N C -0.582 174.984 175.510 0.093 0.000 1.146 78 N CA -0.115 52.956 53.050 0.034 0.000 0.980 78 N CB 0.968 39.434 38.487 -0.034 0.000 1.124 78 N HN 0.621 nan 8.380 nan 0.000 0.458 79 H N -1.440 117.626 119.070 -0.007 0.000 2.990 79 H HA 0.428 3.421 4.556 -2.605 0.000 0.343 79 H C -1.494 173.832 175.328 -0.004 0.000 1.270 79 H CA -0.694 55.365 56.048 0.018 0.000 1.118 79 H CB 1.889 31.777 29.762 0.211 0.000 1.861 79 H HN 0.334 nan 8.280 nan 0.000 0.544 80 D N 1.018 121.471 120.400 0.089 0.000 3.118 80 D HA 0.215 3.290 4.640 -2.609 0.000 0.286 80 D C -1.270 175.087 176.300 0.093 0.000 1.255 80 D CA -0.243 53.799 54.000 0.070 0.000 0.748 80 D CB -0.283 40.529 40.800 0.020 0.000 1.332 80 D HN 0.229 nan 8.370 nan 0.000 0.575 81 F N 0.665 120.747 119.950 0.221 0.000 2.459 81 F HA 0.333 3.298 4.527 -2.603 0.000 0.346 81 F C 1.103 177.012 175.800 0.183 0.000 1.128 81 F CA -0.109 58.016 58.000 0.209 0.000 1.268 81 F CB 0.826 39.986 39.000 0.267 0.000 1.161 81 F HN 0.002 nan 8.300 nan 0.000 0.583 82 L N 2.778 124.210 121.223 0.347 0.000 2.399 82 L HA 0.510 3.285 4.340 -2.609 0.000 0.266 82 L C -0.637 176.394 176.870 0.269 0.000 1.114 82 L CA -0.873 54.113 54.840 0.243 0.000 0.804 82 L CB 1.262 43.432 42.059 0.184 0.000 1.146 82 L HN 0.218 nan 8.230 nan 0.000 0.451 83 V N 1.085 121.105 119.914 0.176 0.000 2.555 83 V HA 0.272 2.827 4.120 -2.609 0.000 0.302 83 V C -0.411 175.709 176.094 0.043 0.000 1.038 83 V CA -0.651 61.714 62.300 0.109 0.000 0.887 83 V CB 1.825 33.687 31.823 0.065 0.000 0.991 83 V HN 0.636 nan 8.190 nan 0.000 0.434 84 E N 3.428 123.602 120.200 -0.043 0.000 2.081 84 E HA 0.612 3.397 4.350 -2.609 0.000 0.276 84 E C 0.097 176.563 176.600 -0.222 0.000 0.950 84 E CA -0.222 56.087 56.400 -0.151 0.000 0.776 84 E CB 1.223 30.708 29.700 -0.359 0.000 1.094 84 E HN 0.899 nan 8.360 nan 0.000 0.402 85 A N 3.312 126.055 122.820 -0.128 0.000 2.483 85 A HA 0.472 3.227 4.320 -2.609 0.000 0.238 85 A C 1.292 178.790 177.584 -0.143 0.000 1.070 85 A CA 0.390 52.358 52.037 -0.116 0.000 0.770 85 A CB -0.229 18.733 19.000 -0.063 0.000 1.008 85 A HN 1.255 nan 8.150 nan 0.000 0.497 86 G N 0.974 109.697 108.800 -0.127 0.000 2.168 86 G HA2 -0.098 2.297 3.960 -2.609 0.000 0.257 86 G HA3 -0.098 2.297 3.960 -2.609 0.000 0.257 86 G C 0.431 175.241 174.900 -0.151 0.000 0.997 86 G CA 1.446 46.478 45.100 -0.114 0.000 0.708 86 G HN 2.395 nan 8.290 nan 0.000 0.520 87 T N -3.254 111.153 114.554 -0.245 0.000 2.887 87 T HA 0.792 3.577 4.350 -2.609 0.000 0.292 87 T C -0.397 174.147 174.700 -0.260 0.000 1.087 87 T CA 0.107 62.022 62.100 -0.308 0.000 1.009 87 T CB 2.411 70.865 68.868 -0.692 0.000 1.203 87 T HN 0.578 nan 8.240 nan 0.000 0.518 88 S N 0.628 116.250 115.700 -0.130 0.000 2.513 88 S HA 0.600 3.505 4.470 -2.609 0.000 0.299 88 S C -0.189 174.489 174.600 0.131 0.000 1.087 88 S CA -0.722 57.457 58.200 -0.035 0.000 1.012 88 S CB 1.628 64.825 63.200 -0.005 0.000 1.044 88 S HN 0.872 nan 8.310 nan 0.000 0.485 89 T N 4.155 118.774 114.554 0.108 0.000 2.902 89 T HA 0.096 2.881 4.350 -2.609 0.000 0.301 89 T C 0.848 175.591 174.700 0.071 0.000 1.012 89 T CA -0.098 62.101 62.100 0.165 0.000 1.151 89 T CB -0.000 68.870 68.868 0.004 0.000 0.946 89 T HN 0.619 nan 8.240 nan 0.000 0.542 90 R N 2.971 123.502 120.500 0.051 0.000 2.756 90 R HA 0.165 2.940 4.340 -2.609 0.000 0.264 90 R C -0.262 175.988 176.300 -0.084 0.000 1.026 90 R CA -0.031 56.064 56.100 -0.009 0.000 1.121 90 R CB 0.585 30.858 30.300 -0.045 0.000 0.999 90 R HN 0.592 nan 8.270 nan 0.000 0.449 91 E N 1.014 121.129 120.200 -0.142 0.000 2.187 91 E HA 0.230 3.015 4.350 -2.609 0.000 0.268 91 E C -1.381 174.882 176.600 -0.561 0.000 0.896 91 E CA -0.867 55.329 56.400 -0.340 0.000 0.766 91 E CB 1.927 31.396 29.700 -0.384 0.000 1.142 91 E HN 0.612 nan 8.360 nan 0.000 0.408 92 C N 5.870 124.855 119.300 -0.524 0.000 2.281 92 C HA 0.534 3.429 4.460 -2.609 0.000 0.323 92 C C -0.978 173.702 174.990 -0.516 0.000 1.270 92 C CA -0.712 58.057 59.018 -0.415 0.000 1.559 92 C CB -1.042 26.597 27.740 -0.169 0.000 2.239 92 C HN 0.581 nan 8.230 nan 0.000 0.488 93 F N 5.330 125.277 119.950 -0.006 0.000 2.411 93 F HA 0.502 5.040 4.527 0.018 0.000 0.350 93 F C 0.371 176.140 175.800 -0.053 0.000 1.114 93 F CA -0.415 57.567 58.000 -0.030 0.000 1.135 93 F CB 1.117 40.102 39.000 -0.025 0.000 1.120 93 F HN 0.284 nan 8.300 nan 0.000 0.495 94 V N 4.776 124.713 119.914 0.039 0.000 2.350 94 V HA 0.347 2.902 4.120 -2.609 0.000 0.285 94 V C -0.397 175.635 176.094 -0.103 0.000 1.014 94 V CA -0.841 61.434 62.300 -0.041 0.000 0.831 94 V CB 1.411 33.182 31.823 -0.087 0.000 1.000 94 V HN 0.486 nan 8.190 nan 0.000 0.433 95 V N 7.204 127.069 119.914 -0.081 0.000 2.364 95 V HA 0.586 3.141 4.120 -2.609 0.000 0.272 95 V C -0.168 175.834 176.094 -0.152 0.000 1.036 95 V CA -0.273 61.958 62.300 -0.115 0.000 0.880 95 V CB 0.938 32.728 31.823 -0.056 0.000 0.991 95 V HN 0.738 nan 8.190 nan 0.000 0.460 96 L N 3.076 124.148 121.223 -0.251 0.000 2.397 96 L HA 0.968 3.743 4.340 -2.609 0.000 0.251 96 L C -0.403 176.395 176.870 -0.120 0.000 1.064 96 L CA -0.955 53.759 54.840 -0.209 0.000 0.859 96 L CB 1.631 43.516 42.059 -0.290 0.000 1.468 96 L HN 0.437 nan 8.230 nan 0.000 0.411 97 S N -1.586 114.118 115.700 0.007 0.000 2.546 97 S HA 0.499 3.404 4.470 -2.609 0.000 0.274 97 S C -0.463 174.230 174.600 0.155 0.000 1.121 97 S CA -0.432 57.839 58.200 0.118 0.000 0.887 97 S CB 1.416 64.654 63.200 0.063 0.000 1.094 97 S HN 0.683 nan 8.310 nan 0.000 0.474 98 D N 1.600 122.107 120.400 0.178 0.000 2.371 98 D HA 0.022 3.097 4.640 -2.609 0.000 0.221 98 D C 0.474 176.815 176.300 0.069 0.000 0.986 98 D CA 0.718 54.789 54.000 0.119 0.000 0.899 98 D CB 0.153 40.995 40.800 0.070 0.000 0.902 98 D HN 0.564 nan 8.370 nan 0.000 0.530 99 D N -0.101 120.336 120.400 0.061 0.000 2.346 99 D HA -0.016 3.058 4.640 -2.609 0.000 0.206 99 D C 1.322 177.641 176.300 0.033 0.000 1.001 99 D CA 0.555 54.578 54.000 0.039 0.000 0.871 99 D CB 0.725 41.544 40.800 0.033 0.000 0.943 99 D HN 0.255 nan 8.370 nan 0.000 0.518 100 T N -2.638 111.938 114.554 0.036 0.000 2.858 100 T HA 0.372 3.156 4.350 -2.609 0.000 0.285 100 T C 0.551 175.266 174.700 0.025 0.000 1.052 100 T CA -0.727 61.388 62.100 0.024 0.000 1.009 100 T CB 1.800 70.677 68.868 0.016 0.000 1.241 100 T HN -0.236 nan 8.240 nan 0.000 0.542 101 N N -0.849 117.860 118.700 0.016 0.000 2.414 101 N HA 0.250 3.424 4.740 -2.609 0.000 0.177 101 N C 1.246 176.759 175.510 0.005 0.000 1.062 101 N CA -0.170 52.889 53.050 0.015 0.000 0.890 101 N CB 0.186 38.681 38.487 0.013 0.000 1.070 101 N HN 0.796 nan 8.380 nan 0.000 0.454 102 G N 0.558 109.358 108.800 -0.001 0.000 2.590 102 G HA2 0.324 2.719 3.960 -2.609 0.000 0.276 102 G HA3 0.324 2.719 3.960 -2.609 0.000 0.276 102 G C -0.349 174.537 174.900 -0.024 0.000 1.337 102 G CA -0.054 45.040 45.100 -0.010 0.000 1.030 102 G HN 0.198 nan 8.290 nan 0.000 0.534 103 S N -1.978 113.704 115.700 -0.030 0.000 2.582 103 S HA 0.563 3.468 4.470 -2.609 0.000 0.287 103 S C -0.593 173.986 174.600 -0.035 0.000 1.146 103 S CA -0.690 57.482 58.200 -0.047 0.000 0.941 103 S CB 1.488 64.657 63.200 -0.052 0.000 1.115 103 S HN 0.692 nan 8.310 nan 0.000 0.458 107 P HA 0.398 nan 4.420 nan 0.000 0.296 107 P C -0.705 176.615 177.300 0.033 0.000 1.301 107 P CA -0.225 62.883 63.100 0.013 0.000 0.862 107 P CB 1.547 33.237 31.700 -0.016 0.000 1.046 108 E N 0.988 121.194 120.200 0.009 0.000 2.349 108 E HA 0.297 3.082 4.350 -2.609 0.000 0.265 108 E C 1.201 177.797 176.600 -0.006 0.000 1.064 108 E CA -0.557 55.863 56.400 0.034 0.000 0.886 108 E CB 0.999 30.727 29.700 0.046 0.000 1.036 108 E HN 0.437 nan 8.360 nan 0.000 0.413 109 A N 2.794 125.614 122.820 0.001 0.000 1.933 109 A HA 0.139 2.893 4.320 -2.609 0.000 0.218 109 A C 1.044 178.590 177.584 -0.064 0.000 1.175 109 A CA 1.440 53.460 52.037 -0.028 0.000 0.628 109 A CB -0.565 18.426 19.000 -0.015 0.000 0.814 109 A HN 0.818 nan 8.150 nan 0.000 0.444 110 G N -2.475 106.296 108.800 -0.047 0.000 2.440 110 G HA2 0.328 2.723 3.960 -2.609 0.000 0.684 110 G HA3 0.328 2.723 3.960 -2.609 0.000 0.684 110 G C -0.328 174.548 174.900 -0.039 0.000 1.309 110 G CA -0.489 44.533 45.100 -0.131 0.000 0.931 110 G HN 1.317 nan 8.290 nan 0.000 0.612 111 F N -0.995 118.972 119.950 0.028 0.000 2.410 111 F HA 0.874 3.832 4.527 -2.615 0.000 0.324 111 F C 0.611 176.464 175.800 0.089 0.000 1.093 111 F CA -0.897 57.135 58.000 0.053 0.000 1.028 111 F CB 0.627 39.650 39.000 0.037 0.000 1.309 111 F HN 0.458 nan 8.300 nan 0.000 0.499 112 T N 2.204 117.036 114.554 0.465 0.000 2.729 112 T HA 0.419 3.204 4.350 -2.609 0.000 0.296 112 T C -0.181 174.775 174.700 0.427 0.000 0.928 112 T CA -0.456 61.862 62.100 0.364 0.000 1.045 112 T CB 0.503 69.528 68.868 0.263 0.000 0.902 112 T HN 0.514 nan 8.240 nan 0.000 0.500 113 V N 4.813 124.955 119.914 0.381 0.000 2.555 113 V HA 0.209 2.764 4.120 -2.609 0.000 0.286 113 V C 0.991 177.224 176.094 0.231 0.000 1.044 113 V CA -0.702 61.820 62.300 0.371 0.000 1.026 113 V CB 0.833 32.873 31.823 0.362 0.000 0.981 113 V HN 1.067 nan 8.190 nan 0.000 0.480 114 S N 3.312 119.119 115.700 0.178 0.000 2.585 114 S HA 0.106 3.011 4.470 -2.609 0.000 0.273 114 S C 0.830 175.485 174.600 0.093 0.000 1.339 114 S CA -0.225 58.039 58.200 0.105 0.000 1.028 114 S CB 1.218 64.462 63.200 0.073 0.000 0.906 114 S HN 0.690 nan 8.310 nan 0.000 0.528 115 Q N 1.894 121.728 119.800 0.056 0.000 2.135 115 Q HA -0.090 2.685 4.340 -2.609 0.000 0.204 115 Q C 1.926 177.953 176.000 0.044 0.000 0.981 115 Q CA 2.441 58.266 55.803 0.037 0.000 0.856 115 Q CB -1.207 27.541 28.738 0.017 0.000 0.902 115 Q HN 0.927 nan 8.270 nan 0.000 0.425 116 T N 0.747 115.329 114.554 0.046 0.000 2.720 116 T HA -0.110 2.675 4.350 -2.609 0.000 0.268 116 T C 1.413 176.150 174.700 0.063 0.000 1.037 116 T CA 1.411 63.538 62.100 0.045 0.000 1.144 116 T CB -0.256 68.635 68.868 0.038 0.000 0.864 116 T HN 0.336 nan 8.240 nan 0.000 0.444 117 N N 0.696 119.449 118.700 0.088 0.000 2.300 117 N HA 0.043 3.218 4.740 -2.609 0.000 0.179 117 N C 1.838 177.428 175.510 0.133 0.000 1.016 117 N CA 0.712 53.832 53.050 0.117 0.000 0.876 117 N CB -0.044 38.536 38.487 0.155 0.000 0.979 117 N HN 0.440 nan 8.380 nan 0.000 0.432 118 K N 0.615 121.095 120.400 0.132 0.000 2.057 118 K HA -0.072 2.683 4.320 -2.609 0.000 0.207 118 K C 1.059 177.712 176.600 0.088 0.000 1.049 118 K CA 1.048 57.419 56.287 0.140 0.000 0.931 118 K CB 0.050 32.584 32.500 0.056 0.000 0.714 118 K HN 0.154 nan 8.250 nan 0.000 0.440 119 D N 0.666 121.100 120.400 0.056 0.000 2.144 119 D HA -0.108 2.967 4.640 -2.609 0.000 0.200 119 D C 1.589 177.913 176.300 0.039 0.000 0.978 119 D CA 0.849 54.871 54.000 0.037 0.000 0.833 119 D CB -0.254 40.562 40.800 0.025 0.000 0.961 119 D HN 0.148 nan 8.370 nan 0.000 0.470 120 N N 0.835 119.566 118.700 0.051 0.000 2.166 120 N HA -0.115 3.060 4.740 -2.609 0.000 0.186 120 N C 1.946 177.480 175.510 0.041 0.000 1.019 120 N CA 0.263 53.340 53.050 0.045 0.000 0.856 120 N CB -0.303 38.218 38.487 0.058 0.000 0.993 120 N HN 0.169 nan 8.380 nan 0.000 0.426 121 L N 1.391 122.649 121.223 0.059 0.000 2.046 121 L HA -0.032 2.743 4.340 -2.609 0.000 0.208 121 L C 2.024 178.902 176.870 0.013 0.000 1.077 121 L CA 1.256 56.122 54.840 0.043 0.000 0.747 121 L CB -0.565 41.543 42.059 0.082 0.000 0.896 121 L HN 0.088 nan 8.230 nan 0.000 0.432 122 L N -0.859 120.377 121.223 0.022 0.000 2.046 122 L HA -0.218 2.557 4.340 -2.609 0.000 0.208 122 L C 2.559 179.420 176.870 -0.015 0.000 1.077 122 L CA 1.490 56.331 54.840 0.000 0.000 0.747 122 L CB -0.720 41.344 42.059 0.008 0.000 0.896 122 L HN 0.240 nan 8.230 nan 0.000 0.432 123 K N -0.123 120.273 120.400 -0.006 0.000 2.097 123 K HA -0.233 2.522 4.320 -2.609 0.000 0.205 123 K C 2.145 178.730 176.600 -0.025 0.000 1.050 123 K CA 1.290 57.570 56.287 -0.011 0.000 0.938 123 K CB -0.142 32.358 32.500 -0.000 0.000 0.718 123 K HN 0.320 nan 8.250 nan 0.000 0.442 124 Q N 1.220 121.005 119.800 -0.026 0.000 2.050 124 Q HA -0.156 2.619 4.340 -2.609 0.000 0.202 124 Q C 2.058 178.000 176.000 -0.096 0.000 0.980 124 Q CA 1.351 57.126 55.803 -0.047 0.000 0.840 124 Q CB -0.027 28.688 28.738 -0.037 0.000 0.898 124 Q HN 0.296 nan 8.270 nan 0.000 0.424 125 I N 0.749 121.256 120.570 -0.106 0.000 2.226 125 I HA -0.267 2.338 4.170 -2.609 0.000 0.245 125 I C 2.465 178.504 176.117 -0.129 0.000 1.100 125 I CA 0.989 62.195 61.300 -0.157 0.000 1.374 125 I CB -0.441 37.486 38.000 -0.122 0.000 1.057 125 I HN 0.290 nan 8.210 nan 0.000 0.413 126 A N 0.709 123.482 122.820 -0.078 0.000 1.940 126 A HA -0.221 2.534 4.320 -2.609 0.000 0.219 126 A C 2.269 179.821 177.584 -0.053 0.000 1.176 126 A CA 1.718 53.721 52.037 -0.056 0.000 0.631 126 A CB -0.368 18.611 19.000 -0.035 0.000 0.814 126 A HN 0.381 nan 8.150 nan 0.000 0.446 127 K N -0.930 119.436 120.400 -0.056 0.000 2.262 127 K HA 0.071 2.825 4.320 -2.609 0.000 0.200 127 K C 1.889 178.457 176.600 -0.053 0.000 1.049 127 K CA 0.808 57.069 56.287 -0.043 0.000 0.979 127 K CB 0.091 32.574 32.500 -0.029 0.000 0.773 127 K HN 0.366 nan 8.250 nan 0.000 0.474 128 K N 0.653 120.991 120.400 -0.104 0.000 2.063 128 K HA 0.074 2.828 4.320 -2.609 0.000 0.204 128 K C 0.427 176.937 176.600 -0.150 0.000 1.039 128 K CA 0.366 56.572 56.287 -0.135 0.000 0.957 128 K CB 0.318 32.658 32.500 -0.266 0.000 0.764 128 K HN -0.146 nan 8.250 nan 0.000 0.447 129 V N 3.749 123.509 119.914 -0.257 0.000 2.521 129 V HA 0.024 2.579 4.120 -2.609 0.000 0.286 129 V C 0.170 176.247 176.094 -0.027 0.000 1.034 129 V CA 0.059 62.256 62.300 -0.172 0.000 1.045 129 V CB 0.705 32.390 31.823 -0.230 0.000 0.974 129 V HN 0.174 nan 8.190 nan 0.000 0.480 130 K N 3.831 124.260 120.400 0.049 0.000 2.185 130 K HA 0.366 3.121 4.320 -2.609 0.000 0.240 130 K C 1.107 177.742 176.600 0.058 0.000 0.983 130 K CA -0.885 55.430 56.287 0.047 0.000 0.873 130 K CB 1.539 34.072 32.500 0.055 0.000 1.118 130 K HN 0.651 nan 8.250 nan 0.000 0.441 131 K N 0.548 120.976 120.400 0.047 0.000 2.211 131 K HA -0.155 2.600 4.320 -2.609 0.000 0.204 131 K C 1.015 177.657 176.600 0.070 0.000 1.047 131 K CA 1.523 57.843 56.287 0.056 0.000 0.935 131 K CB 0.139 32.666 32.500 0.044 0.000 0.728 131 K HN 0.558 nan 8.250 nan 0.000 0.452 132 E N 1.259 121.494 120.200 0.059 0.000 2.502 132 E HA -0.028 2.756 4.350 -2.609 0.000 0.194 132 E C -0.403 176.229 176.600 0.052 0.000 1.062 132 E CA 0.241 56.670 56.400 0.049 0.000 0.867 132 E CB -0.044 29.673 29.700 0.029 0.000 0.888 132 E HN 0.314 nan 8.360 nan 0.000 0.510 136 V N 5.778 125.799 119.914 0.178 0.000 2.407 136 V HA 0.566 3.120 4.120 -2.609 0.000 0.291 136 V C -0.210 175.969 176.094 0.142 0.000 1.018 136 V CA -0.399 62.013 62.300 0.186 0.000 0.842 136 V CB 1.793 33.721 31.823 0.176 0.000 0.996 136 V HN 0.696 nan 8.190 nan 0.000 0.426 137 I N 4.377 125.031 120.570 0.140 0.000 2.336 137 I HA 0.772 3.377 4.170 -2.609 0.000 0.292 137 I C 0.314 176.516 176.117 0.141 0.000 0.991 137 I CA -0.198 61.173 61.300 0.119 0.000 1.227 137 I CB 1.590 39.656 38.000 0.110 0.000 1.366 137 I HN 0.707 nan 8.210 nan 0.000 0.466 138 A N 4.784 127.669 122.820 0.109 0.000 2.455 138 A HA 0.902 3.657 4.320 -2.609 0.000 0.300 138 A C -0.208 177.401 177.584 0.041 0.000 1.040 138 A CA -0.162 51.931 52.037 0.093 0.000 0.697 138 A CB 1.656 20.725 19.000 0.116 0.000 1.265 138 A HN 1.089 nan 8.150 nan 0.000 0.407 139 G N 0.532 109.336 108.800 0.006 0.000 2.712 139 G HA2 0.299 2.694 3.960 -2.609 0.000 0.686 139 G HA3 0.299 2.694 3.960 -2.609 0.000 0.686 139 G C -0.246 174.560 174.900 -0.156 0.000 1.181 139 G CA -0.342 44.727 45.100 -0.052 0.000 0.762 139 G HN 1.422 nan 8.290 nan 0.000 0.641 140 S N 2.567 118.143 115.700 -0.207 0.000 2.580 140 S HA 0.583 3.488 4.470 -2.609 0.000 0.274 140 S C -1.667 172.677 174.600 -0.426 0.000 1.329 140 S CA -0.472 57.500 58.200 -0.381 0.000 1.036 140 S CB 1.163 64.203 63.200 -0.267 0.000 0.919 140 S HN 0.661 nan 8.310 nan 0.000 0.515 141 P HA 0.231 nan 4.420 nan 0.000 0.272 141 P C -2.264 174.856 177.300 -0.301 0.000 1.230 141 P CA -1.107 61.683 63.100 -0.517 0.000 0.788 141 P CB -0.185 31.193 31.700 -0.537 0.000 0.949 142 P HA 0.225 nan 4.420 nan 0.000 0.275 142 P C -2.588 174.675 177.300 -0.062 0.000 1.266 142 P CA -1.693 61.306 63.100 -0.168 0.000 0.793 142 P CB -0.930 30.629 31.700 -0.235 0.000 1.074 143 P HA -0.035 nan 4.420 nan 0.000 0.265 143 P C 0.024 177.297 177.300 -0.045 0.000 1.193 143 P CA 1.000 64.005 63.100 -0.158 0.000 0.765 143 P CB -0.403 31.195 31.700 -0.171 0.000 0.823 144 H N -1.131 118.000 119.070 0.102 0.000 3.237 144 H HA -0.232 2.759 4.556 -2.609 0.000 0.231 144 H C -0.378 175.029 175.328 0.132 0.000 1.148 144 H CA 0.560 56.670 56.048 0.103 0.000 1.155 144 H CB -2.192 27.620 29.762 0.084 0.000 1.210 144 H HN 0.543 nan 8.280 nan 0.000 0.317 145 Y N 3.228 123.595 120.300 0.112 0.000 2.594 145 Y HA 0.296 3.281 4.550 -2.608 0.000 0.342 145 Y C 1.111 177.104 175.900 0.155 0.000 1.010 145 Y CA 0.126 58.294 58.100 0.113 0.000 1.270 145 Y CB 0.463 38.955 38.460 0.052 0.000 1.125 145 Y HN 0.258 nan 8.280 nan 0.000 0.513 146 T N 1.190 115.816 114.554 0.119 0.000 2.701 146 T HA 0.070 2.855 4.350 -2.609 0.000 0.303 146 T C 1.381 176.240 174.700 0.266 0.000 1.030 146 T CA -0.440 61.760 62.100 0.167 0.000 1.010 146 T CB 0.754 69.663 68.868 0.068 0.000 1.007 146 T HN 0.744 nan 8.240 nan 0.000 0.532 147 L N 0.630 121.957 121.223 0.173 0.000 2.131 147 L HA -0.061 2.714 4.340 -2.609 0.000 0.210 147 L C 3.205 180.186 176.870 0.184 0.000 1.092 147 L CA 1.455 56.382 54.840 0.146 0.000 0.759 147 L CB -0.786 41.243 42.059 -0.050 0.000 0.903 147 L HN 0.894 nan 8.230 nan 0.000 0.435 148 S N -0.308 115.451 115.700 0.098 0.000 2.368 148 S HA -0.192 2.713 4.470 -2.609 0.000 0.224 148 S C 1.630 176.263 174.600 0.056 0.000 1.029 148 S CA 1.474 59.712 58.200 0.062 0.000 0.988 148 S CB -0.164 63.049 63.200 0.021 0.000 0.838 148 S HN 0.402 nan 8.310 nan 0.000 0.462 149 D N 0.260 120.659 120.400 -0.001 0.000 2.117 149 D HA -0.070 3.004 4.640 -2.609 0.000 0.197 149 D C 1.554 177.917 176.300 0.104 0.000 0.987 149 D CA 0.897 54.806 54.000 -0.153 0.000 0.829 149 D CB -0.486 39.878 40.800 -0.726 0.000 0.961 149 D HN 0.462 nan 8.370 nan 0.000 0.460 150 F N 1.793 121.863 119.950 0.200 0.000 2.186 150 F HA -0.106 2.856 4.527 -2.608 0.000 0.299 150 F C 2.254 178.167 175.800 0.188 0.000 1.090 150 F CA 1.189 59.398 58.000 0.350 0.000 1.307 150 F CB 0.010 39.286 39.000 0.459 0.000 1.019 150 F HN -0.208 nan 8.300 nan 0.000 0.489 151 K N 0.397 120.937 120.400 0.234 0.000 2.032 151 K HA -0.220 2.534 4.320 -2.609 0.000 0.209 151 K C 1.968 178.573 176.600 0.009 0.000 1.048 151 K CA 2.019 58.361 56.287 0.092 0.000 0.927 151 K CB -0.221 32.333 32.500 0.090 0.000 0.712 151 K HN 0.354 nan 8.250 nan 0.000 0.441 152 E N 0.537 120.749 120.200 0.020 0.000 2.077 152 E HA -0.223 2.562 4.350 -2.609 0.000 0.193 152 E C 2.046 178.630 176.600 -0.026 0.000 0.989 152 E CA 1.112 57.509 56.400 -0.004 0.000 0.800 152 E CB -0.148 29.550 29.700 -0.003 0.000 0.746 152 E HN 0.207 nan 8.360 nan 0.000 0.452 153 L N 1.163 122.367 121.223 -0.032 0.000 1.994 153 L HA -0.177 2.598 4.340 -2.609 0.000 0.208 153 L C 2.111 178.886 176.870 -0.158 0.000 1.071 153 L CA 1.592 56.387 54.840 -0.075 0.000 0.745 153 L CB -0.399 41.616 42.059 -0.072 0.000 0.892 153 L HN 0.103 nan 8.230 nan 0.000 0.431 154 L N -0.699 120.373 121.223 -0.253 0.000 2.046 154 L HA -0.228 2.547 4.340 -2.609 0.000 0.208 154 L C 2.815 179.623 176.870 -0.103 0.000 1.077 154 L CA 1.710 56.422 54.840 -0.213 0.000 0.747 154 L CB -0.589 41.337 42.059 -0.221 0.000 0.896 154 L HN 0.339 nan 8.230 nan 0.000 0.432 155 R N -0.297 120.160 120.500 -0.072 0.000 2.081 155 R HA -0.147 2.628 4.340 -2.609 0.000 0.235 155 R C 2.223 178.500 176.300 -0.038 0.000 1.131 155 R CA 1.918 57.994 56.100 -0.041 0.000 0.960 155 R CB -0.216 30.069 30.300 -0.025 0.000 0.856 155 R HN 0.239 nan 8.270 nan 0.000 0.436 156 T N 0.232 114.760 114.554 -0.043 0.000 2.746 156 T HA -0.097 2.688 4.350 -2.609 0.000 0.267 156 T C 1.789 176.463 174.700 -0.043 0.000 1.039 156 T CA 1.465 63.542 62.100 -0.038 0.000 1.142 156 T CB -0.111 68.736 68.868 -0.036 0.000 0.866 156 T HN 0.043 nan 8.240 nan 0.000 0.444 157 V N 1.419 121.300 119.914 -0.055 0.000 2.358 157 V HA -0.154 2.401 4.120 -2.609 0.000 0.246 157 V C 2.427 178.505 176.094 -0.028 0.000 1.047 157 V CA 1.515 63.787 62.300 -0.046 0.000 1.035 157 V CB -0.481 31.310 31.823 -0.052 0.000 0.658 157 V HN 0.464 nan 8.190 nan 0.000 0.452 158 K N 0.472 120.853 120.400 -0.031 0.000 2.097 158 K HA -0.131 2.624 4.320 -2.609 0.000 0.206 158 K C 2.245 178.839 176.600 -0.010 0.000 1.049 158 K CA 1.453 57.729 56.287 -0.019 0.000 0.933 158 K CB -0.418 32.068 32.500 -0.022 0.000 0.717 158 K HN 0.477 nan 8.250 nan 0.000 0.442 159 A N 1.285 124.096 122.820 -0.014 0.000 2.070 159 A HA -0.150 2.605 4.320 -2.609 0.000 0.220 159 A C 2.192 179.773 177.584 -0.005 0.000 1.159 159 A CA 2.023 54.055 52.037 -0.009 0.000 0.656 159 A CB -0.907 18.085 19.000 -0.013 0.000 0.800 159 A HN 0.499 nan 8.150 nan 0.000 0.453 160 T N -4.395 110.155 114.554 -0.007 0.000 2.995 160 T HA 0.309 3.094 4.350 -2.609 0.000 0.269 160 T C 1.614 176.324 174.700 0.016 0.000 1.091 160 T CA 1.297 63.396 62.100 -0.002 0.000 1.128 160 T CB -0.245 68.615 68.868 -0.013 0.000 0.891 160 T HN 1.677 nan 8.240 nan 0.000 0.492 161 G N 1.219 110.032 108.800 0.022 0.000 2.199 161 G HA2 -0.075 2.320 3.960 -2.609 0.000 0.254 161 G HA3 -0.075 2.320 3.960 -2.609 0.000 0.254 161 G C 0.389 175.327 174.900 0.063 0.000 0.982 161 G CA 0.034 45.157 45.100 0.037 0.000 0.632 161 G HN 1.228 nan 8.290 nan 0.000 0.529 162 A N -0.081 122.781 122.820 0.070 0.000 2.406 162 A HA 0.581 3.336 4.320 -2.609 0.000 0.243 162 A C 0.278 177.959 177.584 0.162 0.000 1.082 162 A CA 0.225 52.335 52.037 0.121 0.000 0.786 162 A CB 0.198 19.269 19.000 0.119 0.000 1.029 162 A HN 1.461 nan 8.150 nan 0.000 0.495 163 F N 1.106 121.088 119.950 0.054 0.000 2.529 163 F HA 0.402 3.363 4.527 -2.609 0.000 0.365 163 F C -0.193 175.652 175.800 0.076 0.000 1.102 163 F CA -0.107 57.934 58.000 0.069 0.000 1.271 163 F CB 0.515 39.540 39.000 0.042 0.000 1.120 163 F HN 0.449 nan 8.300 nan 0.000 0.579 164 L N 6.777 127.857 121.223 -0.238 0.000 2.376 164 L HA 0.698 3.473 4.340 -2.609 0.000 0.275 164 L C -0.568 176.248 176.870 -0.089 0.000 0.987 164 L CA -0.234 54.575 54.840 -0.053 0.000 0.828 164 L CB 1.362 43.391 42.059 -0.050 0.000 1.249 164 L HN 0.669 nan 8.230 nan 0.000 0.409 165 G N 3.630 112.553 108.800 0.205 0.000 2.452 165 G HA2 0.611 3.006 3.960 -2.609 0.000 0.324 165 G HA3 0.611 3.006 3.960 -2.609 0.000 0.324 165 G C -1.474 173.594 174.900 0.279 0.000 1.214 165 G CA -0.375 44.965 45.100 0.400 0.000 0.947 165 G HN 0.715 nan 8.290 nan 0.000 0.478 166 C N 1.602 121.015 119.300 0.188 0.000 2.397 166 C HA 0.502 3.396 4.460 -2.609 0.000 0.325 166 C C -0.658 174.363 174.990 0.051 0.000 1.201 166 C CA -0.837 58.261 59.018 0.133 0.000 1.377 166 C CB 1.448 29.266 27.740 0.130 0.000 2.038 166 C HN 0.770 nan 8.230 nan 0.000 0.457 167 D N 3.473 123.927 120.400 0.090 0.000 2.485 167 D HA 0.307 3.382 4.640 -2.609 0.000 0.256 167 D C -0.247 176.074 176.300 0.036 0.000 1.141 167 D CA 0.266 54.285 54.000 0.031 0.000 0.942 167 D CB 0.055 40.905 40.800 0.083 0.000 1.003 167 D HN 0.584 nan 8.370 nan 0.000 0.507 168 N N 0.261 118.975 118.700 0.024 0.000 2.701 168 N HA 0.482 3.657 4.740 -2.609 0.000 0.290 168 N C -0.610 174.901 175.510 0.002 0.000 1.338 168 N CA -0.545 52.514 53.050 0.015 0.000 0.799 168 N CB 1.892 40.413 38.487 0.056 0.000 1.491 168 N HN 0.364 nan 8.380 nan 0.000 0.540 169 S N -1.837 113.869 115.700 0.011 0.000 2.740 169 S HA 0.811 3.716 4.470 -2.609 0.000 0.300 169 S C 0.641 175.260 174.600 0.032 0.000 1.147 169 S CA 0.049 58.254 58.200 0.009 0.000 0.871 169 S CB 1.437 64.635 63.200 -0.005 0.000 1.173 169 S HN 0.924 nan 8.310 nan 0.000 0.510 170 G N 1.370 110.169 108.800 -0.002 0.000 2.627 170 G HA2 -0.304 2.091 3.960 -2.609 0.000 0.312 170 G HA3 -0.304 2.091 3.960 -2.609 0.000 0.312 170 G C 0.585 175.439 174.900 -0.078 0.000 1.299 170 G CA 0.742 45.823 45.100 -0.031 0.000 0.989 170 G HN 0.809 nan 8.290 nan 0.000 0.547 171 E N -0.322 119.769 120.200 -0.181 0.000 2.204 171 E HA -0.077 2.708 4.350 -2.609 0.000 0.195 171 E C 2.271 178.680 176.600 -0.320 0.000 0.990 171 E CA 1.855 58.088 56.400 -0.277 0.000 0.821 171 E CB -0.222 29.238 29.700 -0.400 0.000 0.750 171 E HN 0.653 nan 8.360 nan 0.000 0.477 172 Y N 0.416 120.626 120.300 -0.150 0.000 2.200 172 Y HA -0.139 2.846 4.550 -2.607 0.000 0.290 172 Y C 2.311 178.185 175.900 -0.043 0.000 1.137 172 Y CA 0.736 58.678 58.100 -0.264 0.000 1.163 172 Y CB -0.533 37.555 38.460 -0.621 0.000 0.988 172 Y HN 0.042 nan 8.280 nan 0.000 0.518 173 L N 0.463 121.736 121.223 0.083 0.000 2.056 173 L HA -0.174 2.601 4.340 -2.609 0.000 0.207 173 L C 1.831 178.732 176.870 0.051 0.000 1.078 173 L CA 1.720 56.602 54.840 0.071 0.000 0.749 173 L CB -0.870 41.199 42.059 0.017 0.000 0.901 173 L HN 0.116 nan 8.230 nan 0.000 0.433 174 N N -0.100 118.606 118.700 0.011 0.000 2.069 174 N HA -0.223 2.952 4.740 -2.609 0.000 0.191 174 N C 1.862 177.389 175.510 0.029 0.000 1.031 174 N CA 1.818 54.868 53.050 0.000 0.000 0.852 174 N CB -0.587 37.881 38.487 -0.032 0.000 1.018 174 N HN 0.335 nan 8.380 nan 0.000 0.423 175 L N 1.287 122.543 121.223 0.056 0.000 2.046 175 L HA -0.025 2.749 4.340 -2.609 0.000 0.208 175 L C 2.197 179.145 176.870 0.130 0.000 1.077 175 L CA 1.519 56.420 54.840 0.102 0.000 0.747 175 L CB -0.916 41.245 42.059 0.171 0.000 0.896 175 L HN 0.130 nan 8.230 nan 0.000 0.432 176 A N -1.159 121.772 122.820 0.186 0.000 1.908 176 A HA -0.165 2.589 4.320 -2.609 0.000 0.218 176 A C 2.259 179.881 177.584 0.065 0.000 1.181 176 A CA 2.111 54.235 52.037 0.144 0.000 0.627 176 A CB -1.122 17.990 19.000 0.187 0.000 0.818 176 A HN 0.309 nan 8.150 nan 0.000 0.445 177 V N 0.436 120.378 119.914 0.048 0.000 2.358 177 V HA -0.175 2.379 4.120 -2.609 0.000 0.246 177 V C 1.348 177.452 176.094 0.016 0.000 1.047 177 V CA 1.509 63.820 62.300 0.019 0.000 1.035 177 V CB -0.867 30.960 31.823 0.006 0.000 0.658 177 V HN 0.607 nan 8.190 nan 0.000 0.452 181 V N -0.951 118.952 119.914 -0.018 0.000 3.074 181 V HA 0.696 3.251 4.120 -2.609 0.000 0.314 181 V C 0.209 176.266 176.094 -0.063 0.000 1.117 181 V CA -0.868 61.405 62.300 -0.045 0.000 1.014 181 V CB 2.349 34.160 31.823 -0.020 0.000 1.057 181 V HN 0.385 nan 8.190 nan 0.000 0.438 182 D N 0.033 120.327 120.400 -0.177 0.000 2.271 182 D HA 0.158 3.232 4.640 -2.609 0.000 0.206 182 D C -0.248 176.114 176.300 0.102 0.000 0.967 182 D CA 1.659 55.533 54.000 -0.210 0.000 0.867 182 D CB 0.808 41.056 40.800 -0.921 0.000 0.960 182 D HN 0.530 nan 8.370 nan 0.000 0.509 183 F N 1.203 121.103 119.950 -0.084 0.000 2.596 183 F HA 0.407 3.368 4.527 -2.610 0.000 0.311 183 F C -1.740 174.095 175.800 0.058 0.000 1.116 183 F CA -1.097 56.967 58.000 0.107 0.000 0.957 183 F CB 1.337 40.498 39.000 0.268 0.000 1.250 183 F HN -0.212 nan 8.300 nan 0.000 0.444 184 I N 2.499 122.566 120.570 -0.839 0.000 2.894 184 I HA 0.566 3.170 4.170 -2.609 0.000 0.302 184 I C -1.769 173.744 176.117 -1.006 0.000 1.188 184 I CA -0.930 59.905 61.300 -0.776 0.000 1.014 184 I CB 2.516 40.335 38.000 -0.302 0.000 1.242 184 I HN 0.720 nan 8.210 nan 0.000 0.430 185 K N 4.847 124.841 120.400 -0.678 0.000 3.029 185 K HA 0.445 3.200 4.320 -2.609 0.000 0.169 185 K C -2.821 173.627 176.600 -0.253 0.000 1.090 185 K CA -1.415 54.600 56.287 -0.453 0.000 0.883 185 K CB 1.221 33.524 32.500 -0.328 0.000 1.080 185 K HN 0.486 nan 8.250 nan 0.000 0.613 186 P HA 0.049 nan 4.420 nan 0.000 0.275 186 P C -0.739 176.480 177.300 -0.134 0.000 1.227 186 P CA -0.290 62.729 63.100 -0.135 0.000 0.781 186 P CB 0.733 32.369 31.700 -0.106 0.000 0.906 187 N N 0.800 119.435 118.700 -0.109 0.000 2.366 187 N HA -0.009 3.166 4.740 -2.609 0.000 0.277 187 N C 1.107 176.567 175.510 -0.083 0.000 1.275 187 N CA -0.307 52.678 53.050 -0.108 0.000 0.964 187 N CB -0.191 38.243 38.487 -0.089 0.000 1.167 187 N HN 0.465 nan 8.380 nan 0.000 0.568 188 E N -1.238 118.919 120.200 -0.072 0.000 2.160 188 E HA -0.229 2.556 4.350 -2.609 0.000 0.195 188 E C 0.302 176.876 176.600 -0.044 0.000 0.991 188 E CA 1.469 57.837 56.400 -0.054 0.000 0.810 188 E CB -0.008 29.665 29.700 -0.046 0.000 0.742 188 E HN 0.526 nan 8.360 nan 0.000 0.466 189 D N -0.052 120.322 120.400 -0.043 0.000 2.201 189 D HA -0.075 3.000 4.640 -2.609 0.000 0.209 189 D C 1.635 177.913 176.300 -0.037 0.000 0.961 189 D CA 0.703 54.682 54.000 -0.035 0.000 0.861 189 D CB -0.086 40.695 40.800 -0.031 0.000 0.997 189 D HN 0.310 nan 8.370 nan 0.000 0.486 190 E N 0.806 120.980 120.200 -0.043 0.000 2.153 190 E HA -0.104 2.681 4.350 -2.609 0.000 0.194 190 E C 2.106 178.679 176.600 -0.045 0.000 0.988 190 E CA 0.323 56.697 56.400 -0.043 0.000 0.811 190 E CB 0.060 29.730 29.700 -0.049 0.000 0.746 190 E HN -0.008 nan 8.360 nan 0.000 0.466 191 V N 1.541 121.424 119.914 -0.051 0.000 2.720 191 V HA -0.221 2.333 4.120 -2.609 0.000 0.256 191 V C 1.891 177.962 176.094 -0.038 0.000 1.082 191 V CA 1.199 63.470 62.300 -0.049 0.000 1.101 191 V CB -0.346 31.445 31.823 -0.053 0.000 0.693 191 V HN 0.274 nan 8.190 nan 0.000 0.479 192 I N 0.510 121.060 120.570 -0.034 0.000 2.264 192 I HA -0.262 2.343 4.170 -2.609 0.000 0.248 192 I C 2.676 178.777 176.117 -0.028 0.000 1.111 192 I CA 1.537 62.819 61.300 -0.029 0.000 1.382 192 I CB -0.726 37.258 38.000 -0.026 0.000 1.060 192 I HN 0.397 nan 8.210 nan 0.000 0.418 193 A N 1.286 124.088 122.820 -0.030 0.000 2.032 193 A HA -0.176 2.579 4.320 -2.609 0.000 0.221 193 A C 2.070 179.637 177.584 -0.029 0.000 1.165 193 A CA 1.902 53.921 52.037 -0.031 0.000 0.645 193 A CB -0.816 18.165 19.000 -0.033 0.000 0.807 193 A HN 0.700 nan 8.150 nan 0.000 0.453 194 I N -3.922 116.630 120.570 -0.028 0.000 3.974 194 I HA 0.404 3.009 4.170 -2.609 0.000 0.334 194 I C -0.253 175.850 176.117 -0.023 0.000 1.437 194 I CA -0.673 60.612 61.300 -0.025 0.000 1.113 194 I CB 0.120 38.105 38.000 -0.026 0.000 1.063 194 I HN -0.056 nan 8.210 nan 0.000 0.400 195 L N 1.720 122.929 121.223 -0.023 0.000 2.399 195 L HA 0.364 3.139 4.340 -2.609 0.000 0.266 195 L C -0.117 176.742 176.870 -0.018 0.000 1.114 195 L CA 0.295 55.123 54.840 -0.020 0.000 0.804 195 L CB 0.785 42.831 42.059 -0.021 0.000 1.146 195 L HN 0.123 nan 8.230 nan 0.000 0.451 196 D N 1.023 121.413 120.400 -0.016 0.000 2.347 196 D HA 0.117 3.192 4.640 -2.609 0.000 0.235 196 D C 0.848 177.139 176.300 -0.013 0.000 1.149 196 D CA -0.020 53.971 54.000 -0.014 0.000 0.850 196 D CB 0.812 41.605 40.800 -0.012 0.000 1.061 196 D HN 0.576 nan 8.370 nan 0.000 0.487 197 E N 2.493 122.684 120.200 -0.014 0.000 2.130 197 E HA -0.222 2.563 4.350 -2.609 0.000 0.196 197 E C 1.085 177.678 176.600 -0.011 0.000 0.998 197 E CA 1.072 57.465 56.400 -0.013 0.000 0.806 197 E CB 0.159 29.852 29.700 -0.013 0.000 0.738 197 E HN 0.525 nan 8.360 nan 0.000 0.459 198 K N 0.277 120.671 120.400 -0.011 0.000 2.525 198 K HA 0.032 2.787 4.320 -2.609 0.000 0.192 198 K C 0.084 176.679 176.600 -0.009 0.000 1.029 198 K CA 0.475 56.756 56.287 -0.009 0.000 1.029 198 K CB 0.403 32.898 32.500 -0.009 0.000 0.814 198 K HN -0.064 nan 8.250 nan 0.000 0.503 199 T N 0.955 115.503 114.554 -0.010 0.000 2.821 199 T HA 0.183 2.967 4.350 -2.609 0.000 0.307 199 T C 0.376 175.070 174.700 -0.010 0.000 1.034 199 T CA -0.476 61.618 62.100 -0.010 0.000 0.953 199 T CB 1.049 69.910 68.868 -0.010 0.000 0.968 199 T HN 0.149 nan 8.240 nan 0.000 0.462 200 N N 1.361 120.056 118.700 -0.009 0.000 2.171 200 N HA -0.050 3.125 4.740 -2.609 0.000 0.184 200 N C 1.064 176.568 175.510 -0.009 0.000 1.021 200 N CA 0.278 53.322 53.050 -0.009 0.000 0.854 200 N CB 0.183 38.665 38.487 -0.008 0.000 0.994 200 N HN 0.401 nan 8.380 nan 0.000 0.426 201 S N 0.684 116.379 115.700 -0.009 0.000 2.525 201 S HA 0.033 2.938 4.470 -2.609 0.000 0.285 201 S C 1.033 175.627 174.600 -0.009 0.000 1.283 201 S CA -0.485 57.710 58.200 -0.008 0.000 1.072 201 S CB 0.488 63.683 63.200 -0.008 0.000 0.867 201 S HN 0.214 nan 8.310 nan 0.000 0.492 202 L N 5.747 126.964 121.223 -0.009 0.000 2.056 202 L HA 0.047 2.822 4.340 -2.609 0.000 0.207 202 L C 2.193 179.058 176.870 -0.008 0.000 1.078 202 L CA 1.887 56.721 54.840 -0.010 0.000 0.749 202 L CB -0.828 41.225 42.059 -0.011 0.000 0.901 202 L HN 0.849 nan 8.230 nan 0.000 0.433 203 E N -0.625 119.571 120.200 -0.006 0.000 2.058 203 E HA -0.295 2.489 4.350 -2.609 0.000 0.194 203 E C 2.048 178.643 176.600 -0.008 0.000 0.997 203 E CA 1.428 57.825 56.400 -0.005 0.000 0.801 203 E CB -0.030 29.667 29.700 -0.006 0.000 0.746 203 E HN 0.475 nan 8.360 nan 0.000 0.450 204 E N 1.062 121.257 120.200 -0.009 0.000 2.077 204 E HA -0.165 2.619 4.350 -2.609 0.000 0.193 204 E C 1.726 178.320 176.600 -0.010 0.000 0.989 204 E CA 1.120 57.514 56.400 -0.010 0.000 0.800 204 E CB -0.178 29.516 29.700 -0.010 0.000 0.746 204 E HN 0.144 nan 8.360 nan 0.000 0.452 205 N N 0.065 118.759 118.700 -0.010 0.000 2.120 205 N HA -0.136 3.039 4.740 -2.609 0.000 0.188 205 N C 1.988 177.492 175.510 -0.010 0.000 1.024 205 N CA 1.435 54.478 53.050 -0.011 0.000 0.852 205 N CB -0.179 38.300 38.487 -0.013 0.000 1.003 205 N HN 0.284 nan 8.380 nan 0.000 0.424 206 I N 1.113 121.679 120.570 -0.008 0.000 2.252 206 I HA -0.215 2.390 4.170 -2.609 0.000 0.245 206 I C 2.336 178.453 176.117 0.000 0.000 1.102 206 I CA 0.934 62.232 61.300 -0.003 0.000 1.385 206 I CB -0.137 37.865 38.000 0.004 0.000 1.064 206 I HN 0.065 nan 8.210 nan 0.000 0.414 207 R N 0.004 120.501 120.500 -0.005 0.000 2.096 207 R HA -0.117 2.658 4.340 -2.609 0.000 0.235 207 R C 2.285 178.579 176.300 -0.010 0.000 1.127 207 R CA 1.827 57.922 56.100 -0.009 0.000 0.968 207 R CB -0.511 29.780 30.300 -0.015 0.000 0.861 207 R HN 0.352 nan 8.270 nan 0.000 0.440 208 T N 1.423 115.971 114.554 -0.009 0.000 2.737 208 T HA -0.044 2.741 4.350 -2.609 0.000 0.265 208 T C 1.848 176.543 174.700 -0.008 0.000 1.038 208 T CA 0.916 63.011 62.100 -0.010 0.000 1.144 208 T CB -0.098 68.764 68.868 -0.010 0.000 0.866 208 T HN 0.118 nan 8.240 nan 0.000 0.434 209 L N 0.931 122.149 121.223 -0.007 0.000 2.191 209 L HA -0.023 2.751 4.340 -2.609 0.000 0.212 209 L C 2.900 179.770 176.870 0.000 0.000 1.103 209 L CA 0.804 55.641 54.840 -0.006 0.000 0.769 209 L CB -0.589 41.465 42.059 -0.009 0.000 0.908 209 L HN 0.237 nan 8.230 nan 0.000 0.438 210 A N -0.533 122.289 122.820 0.004 0.000 2.125 210 A HA -0.169 2.586 4.320 -2.609 0.000 0.219 210 A C 2.125 179.708 177.584 -0.001 0.000 1.156 210 A CA 1.157 53.200 52.037 0.010 0.000 0.671 210 A CB -0.271 18.736 19.000 0.012 0.000 0.794 210 A HN 0.341 nan 8.150 nan 0.000 0.459 211 E N 0.181 120.377 120.200 -0.007 0.000 2.204 211 E HA -0.135 2.650 4.350 -2.609 0.000 0.194 211 E C 1.380 177.977 176.600 -0.007 0.000 0.989 211 E CA 1.183 57.577 56.400 -0.011 0.000 0.824 211 E CB -0.106 29.587 29.700 -0.011 0.000 0.756 211 E HN 0.720 nan 8.360 nan 0.000 0.477 212 K N -0.272 120.127 120.400 -0.001 0.000 2.355 212 K HA 0.277 3.031 4.320 -2.609 0.000 0.198 212 K C 0.463 177.068 176.600 0.009 0.000 1.039 212 K CA 0.099 56.387 56.287 0.002 0.000 1.075 212 K CB 1.155 33.655 32.500 -0.000 0.000 0.870 212 K HN -0.028 nan 8.250 nan 0.000 0.540 213 I N 1.429 122.010 120.570 0.018 0.000 2.468 213 I HA 0.177 2.782 4.170 -2.609 0.000 0.284 213 I C -2.192 173.968 176.117 0.071 0.000 1.038 213 I CA -2.384 58.942 61.300 0.043 0.000 1.083 213 I CB 2.116 40.139 38.000 0.038 0.000 1.223 213 I HN -0.248 nan 8.210 nan 0.000 0.443 214 P HA -0.158 nan 4.420 nan 0.000 0.215 214 P C -0.502 176.830 177.300 0.054 0.000 1.157 214 P CA 1.621 64.753 63.100 0.054 0.000 0.874 214 P CB 0.059 31.838 31.700 0.131 0.000 0.790 215 Y N -1.128 119.395 120.300 0.373 0.000 2.555 215 Y HA 0.420 3.405 4.550 -2.608 0.000 0.326 215 Y C -0.227 175.877 175.900 0.340 0.000 0.984 215 Y CA -1.106 57.284 58.100 0.483 0.000 1.298 215 Y CB 0.795 39.665 38.460 0.683 0.000 1.094 215 Y HN -0.210 nan 8.280 nan 0.000 0.500 216 L N 4.634 126.050 121.223 0.321 0.000 2.287 216 L HA 0.797 3.572 4.340 -2.609 0.000 0.287 216 L C -1.327 175.612 176.870 0.115 0.000 1.022 216 L CA -0.727 54.191 54.840 0.131 0.000 0.814 216 L CB 1.138 43.244 42.059 0.077 0.000 1.217 216 L HN 0.289 nan 8.230 nan 0.000 0.420 217 V N 5.973 125.871 119.914 -0.027 0.000 2.444 217 V HA 0.486 3.040 4.120 -2.609 0.000 0.294 217 V C -0.530 175.484 176.094 -0.134 0.000 1.022 217 V CA -0.679 61.597 62.300 -0.039 0.000 0.850 217 V CB 1.940 33.732 31.823 -0.052 0.000 0.992 217 V HN 0.496 nan 8.190 nan 0.000 0.426 218 V N 4.580 124.439 119.914 -0.092 0.000 2.328 218 V HA 0.406 2.961 4.120 -2.609 0.000 0.278 218 V C 0.458 176.462 176.094 -0.150 0.000 1.021 218 V CA -0.390 61.841 62.300 -0.114 0.000 0.838 218 V CB 1.808 33.592 31.823 -0.064 0.000 0.999 218 V HN 0.995 nan 8.190 nan 0.000 0.447 219 S N 5.832 121.401 115.700 -0.218 0.000 2.562 219 S HA 0.639 3.544 4.470 -2.609 0.000 0.275 219 S C -0.124 174.384 174.600 -0.153 0.000 1.281 219 S CA -0.626 57.417 58.200 -0.262 0.000 1.045 219 S CB 1.016 63.980 63.200 -0.394 0.000 0.962 219 S HN 0.549 nan 8.310 nan 0.000 0.503 220 L N 2.812 123.963 121.223 -0.120 0.000 3.209 220 L HA 0.426 3.200 4.340 -2.609 0.000 0.279 220 L C 1.439 178.276 176.870 -0.055 0.000 1.301 220 L CA -0.228 54.570 54.840 -0.070 0.000 1.004 220 L CB -0.754 41.279 42.059 -0.043 0.000 1.402 220 L HN 1.181 nan 8.230 nan 0.000 0.577 221 G N 1.484 110.243 108.800 -0.068 0.000 2.622 221 G HA2 -0.448 1.947 3.960 -2.609 0.000 0.307 221 G HA3 -0.448 1.947 3.960 -2.609 0.000 0.307 221 G C 1.006 175.894 174.900 -0.021 0.000 1.226 221 G CA 0.607 45.681 45.100 -0.042 0.000 0.997 221 G HN 0.407 nan 8.290 nan 0.000 0.551 222 A N -0.310 122.506 122.820 -0.008 0.000 2.125 222 A HA 0.076 2.831 4.320 -2.609 0.000 0.219 222 A C 2.165 179.754 177.584 0.009 0.000 1.156 222 A CA 2.328 54.368 52.037 0.005 0.000 0.671 222 A CB -0.365 18.638 19.000 0.006 0.000 0.794 222 A HN 0.643 nan 8.150 nan 0.000 0.459 223 K N -1.256 119.145 120.400 0.001 0.000 2.432 223 K HA 0.264 3.019 4.320 -2.609 0.000 0.196 223 K C 1.271 177.881 176.600 0.015 0.000 1.038 223 K CA 0.413 56.704 56.287 0.008 0.000 0.986 223 K CB -0.072 32.429 32.500 0.001 0.000 0.782 223 K HN 0.607 nan 8.250 nan 0.000 0.485 224 G N 0.929 109.734 108.800 0.009 0.000 2.709 224 G HA2 -0.246 2.149 3.960 -2.609 0.000 0.228 224 G HA3 -0.246 2.149 3.960 -2.609 0.000 0.228 224 G C -0.526 174.363 174.900 -0.018 0.000 1.215 224 G CA -0.221 44.894 45.100 0.025 0.000 1.003 224 G HN 0.438 nan 8.290 nan 0.000 0.584 225 S N -1.256 114.453 115.700 0.014 0.000 2.636 225 S HA 0.752 3.657 4.470 -2.609 0.000 0.268 225 S C -1.214 173.417 174.600 0.052 0.000 1.159 225 S CA -0.324 57.864 58.200 -0.021 0.000 0.815 225 S CB 1.808 64.948 63.200 -0.101 0.000 1.130 225 S HN 1.363 nan 8.310 nan 0.000 0.471 226 I N 0.743 121.342 120.570 0.047 0.000 2.466 226 I HA 0.568 3.173 4.170 -2.609 0.000 0.289 226 I C -0.891 175.307 176.117 0.134 0.000 1.026 226 I CA -0.622 60.735 61.300 0.096 0.000 1.078 226 I CB 1.848 39.881 38.000 0.055 0.000 1.249 226 I HN 0.906 nan 8.210 nan 0.000 0.429 227 C N 5.983 125.426 119.300 0.239 0.000 2.441 227 C HA 0.889 3.784 4.460 -2.609 0.000 0.318 227 C C 0.032 175.232 174.990 0.350 0.000 1.222 227 C CA -0.152 59.053 59.018 0.311 0.000 1.474 227 C CB 0.567 28.558 27.740 0.419 0.000 2.125 227 C HN 0.860 nan 8.230 nan 0.000 0.479 228 A N 5.502 128.486 122.820 0.274 0.000 2.288 228 A HA 0.804 3.559 4.320 -2.609 0.000 0.320 228 A C -0.706 177.059 177.584 0.301 0.000 1.217 228 A CA -0.125 52.041 52.037 0.215 0.000 0.840 228 A CB 0.487 19.550 19.000 0.106 0.000 1.179 228 A HN 1.110 nan 8.150 nan 0.000 0.504 229 H N 2.658 121.823 119.070 0.159 0.000 3.129 229 H HA 0.185 3.176 4.556 -2.608 0.000 0.342 229 H C -0.196 175.165 175.328 0.054 0.000 1.092 229 H CA -0.134 55.961 56.048 0.077 0.000 1.310 229 H CB 1.046 30.889 29.762 0.135 0.000 1.932 229 H HN 0.910 nan 8.280 nan 0.000 0.507 230 N N 2.796 121.103 118.700 -0.654 0.000 2.727 230 N HA -0.199 2.975 4.740 -2.609 0.000 0.249 230 N C 0.951 176.350 175.510 -0.185 0.000 1.048 230 N CA 2.359 55.138 53.050 -0.451 0.000 0.714 230 N CB -1.265 36.926 38.487 -0.493 0.000 0.959 230 N HN 1.160 nan 8.380 nan 0.000 0.544 231 G N -1.628 107.092 108.800 -0.133 0.000 2.162 231 G HA2 -0.351 2.044 3.960 -2.609 0.000 0.260 231 G HA3 -0.351 2.044 3.960 -2.609 0.000 0.260 231 G C 0.047 174.891 174.900 -0.093 0.000 0.976 231 G CA 0.926 45.973 45.100 -0.088 0.000 0.655 231 G HN 0.656 nan 8.290 nan 0.000 0.533 232 K N -0.854 119.480 120.400 -0.111 0.000 2.221 232 K HA 0.791 3.546 4.320 -2.609 0.000 0.243 232 K C -0.970 175.459 176.600 -0.286 0.000 0.968 232 K CA -1.075 55.070 56.287 -0.237 0.000 0.846 232 K CB 2.198 34.495 32.500 -0.338 0.000 1.141 232 K HN 0.080 nan 8.250 nan 0.000 0.434 233 L N 2.396 123.383 121.223 -0.392 0.000 2.381 233 L HA 0.418 3.193 4.340 -2.609 0.000 0.274 233 L C -1.821 174.841 176.870 -0.347 0.000 0.988 233 L CA -0.404 54.295 54.840 -0.235 0.000 0.824 233 L CB 0.988 42.988 42.059 -0.099 0.000 1.263 233 L HN 0.476 nan 8.230 nan 0.000 0.410 234 Y N 2.732 123.088 120.300 0.092 0.000 2.364 234 Y HA 0.529 3.514 4.550 -2.609 0.000 0.340 234 Y C -0.100 175.851 175.900 0.085 0.000 0.975 234 Y CA -0.520 57.637 58.100 0.094 0.000 1.089 234 Y CB 1.693 40.228 38.460 0.126 0.000 1.192 234 Y HN 0.532 nan 8.280 nan 0.000 0.454 235 Q N 2.854 122.780 119.800 0.211 0.000 2.340 235 Q HA 0.602 3.377 4.340 -2.609 0.000 0.259 235 Q C -1.774 174.320 176.000 0.156 0.000 0.964 235 Q CA -0.617 55.272 55.803 0.143 0.000 0.900 235 Q CB 0.977 29.769 28.738 0.090 0.000 1.228 235 Q HN 0.616 nan 8.270 nan 0.000 0.449 236 V N 6.518 126.520 119.914 0.147 0.000 2.370 236 V HA 0.450 3.005 4.120 -2.609 0.000 0.283 236 V C -0.170 175.986 176.094 0.105 0.000 1.023 236 V CA -0.541 61.842 62.300 0.140 0.000 0.857 236 V CB 1.282 33.213 31.823 0.182 0.000 0.985 236 V HN 0.757 nan 8.190 nan 0.000 0.443 237 I N 7.748 128.372 120.570 0.089 0.000 2.418 237 I HA 0.436 3.041 4.170 -2.609 0.000 0.287 237 I C -2.305 173.853 176.117 0.067 0.000 1.008 237 I CA -1.913 59.428 61.300 0.069 0.000 1.104 237 I CB 2.790 40.824 38.000 0.056 0.000 1.264 237 I HN 0.441 nan 8.210 nan 0.000 0.438 238 P HA 0.347 nan 4.420 nan 0.000 0.278 238 P C -2.699 174.630 177.300 0.047 0.000 1.258 238 P CA -1.693 61.444 63.100 0.062 0.000 0.811 238 P CB 0.376 32.116 31.700 0.067 0.000 1.063 239 P HA 0.197 nan 4.420 nan 0.000 0.274 239 P C -0.489 176.831 177.300 0.033 0.000 1.246 239 P CA -0.247 62.875 63.100 0.035 0.000 0.795 239 P CB 0.774 32.494 31.700 0.033 0.000 1.006 240 K N 0.598 121.015 120.400 0.028 0.000 2.339 240 K HA 0.359 3.114 4.320 -2.609 0.000 0.286 240 K C 0.199 176.814 176.600 0.026 0.000 1.050 240 K CA -0.510 55.792 56.287 0.026 0.000 0.956 240 K CB 0.644 33.157 32.500 0.022 0.000 0.990 240 K HN 0.317 nan 8.250 nan 0.000 0.475 241 V N -0.355 119.575 119.914 0.027 0.000 3.001 241 V HA 0.302 2.856 4.120 -2.609 0.000 0.314 241 V C -0.535 175.574 176.094 0.025 0.000 1.099 241 V CA -1.267 61.050 62.300 0.028 0.000 0.989 241 V CB 1.776 33.619 31.823 0.034 0.000 1.040 241 V HN 0.815 nan 8.190 nan 0.000 0.434 242 Q N 1.616 121.431 119.800 0.025 0.000 2.324 242 Q HA 0.223 2.998 4.340 -2.609 0.000 0.257 242 Q C 0.099 176.114 176.000 0.025 0.000 1.080 242 Q CA 0.027 55.844 55.803 0.023 0.000 0.907 242 Q CB 0.490 29.241 28.738 0.022 0.000 1.274 242 Q HN 0.915 nan 8.270 nan 0.000 0.434 243 E N 3.910 124.123 120.200 0.022 0.000 2.360 243 E HA 0.019 2.804 4.350 -2.609 0.000 0.269 243 E C 0.027 176.640 176.600 0.022 0.000 1.022 243 E CA 0.074 56.488 56.400 0.023 0.000 0.887 243 E CB 0.737 30.448 29.700 0.018 0.000 0.990 243 E HN 0.693 nan 8.360 nan 0.000 0.426 244 R N 2.561 123.076 120.500 0.025 0.000 2.320 244 R HA 0.155 2.930 4.340 -2.609 0.000 0.193 244 R C -0.144 176.169 176.300 0.021 0.000 0.885 244 R CA -0.173 55.943 56.100 0.026 0.000 1.085 244 R CB 0.601 30.922 30.300 0.035 0.000 1.253 244 R HN 0.413 nan 8.270 nan 0.000 0.636 245 N N 1.087 119.799 118.700 0.021 0.000 2.752 245 N HA -0.019 3.156 4.740 -2.609 0.000 0.268 245 N C -1.365 174.151 175.510 0.010 0.000 1.190 245 N CA -0.113 52.943 53.050 0.011 0.000 0.897 245 N CB 1.355 39.848 38.487 0.009 0.000 1.515 245 N HN 0.015 nan 8.380 nan 0.000 0.567 246 D N 0.591 120.993 120.400 0.003 0.000 2.328 246 D HA 0.048 3.122 4.640 -2.609 0.000 0.226 246 D C -0.173 176.121 176.300 -0.010 0.000 1.066 246 D CA 0.172 54.173 54.000 0.001 0.000 0.861 246 D CB -0.256 40.544 40.800 -0.001 0.000 0.912 246 D HN 0.258 nan 8.370 nan 0.000 0.521 247 T N 0.110 114.654 114.554 -0.017 0.000 2.870 247 T HA 0.443 3.228 4.350 -2.609 0.000 0.300 247 T C 1.469 176.140 174.700 -0.048 0.000 0.989 247 T CA 0.552 62.633 62.100 -0.032 0.000 1.139 247 T CB 1.036 69.882 68.868 -0.037 0.000 0.920 247 T HN 0.429 nan 8.240 nan 0.000 0.537 248 G N 2.066 110.829 108.800 -0.062 0.000 2.176 248 G HA2 -0.256 2.139 3.960 -2.609 0.000 0.253 248 G HA3 -0.256 2.139 3.960 -2.609 0.000 0.253 248 G C 1.192 176.073 174.900 -0.031 0.000 0.979 248 G CA 0.272 45.317 45.100 -0.091 0.000 0.641 248 G HN 1.005 nan 8.290 nan 0.000 0.530 249 A N 0.353 123.168 122.820 -0.008 0.000 1.940 249 A HA 0.282 3.037 4.320 -2.609 0.000 0.219 249 A C 2.770 180.386 177.584 0.053 0.000 1.176 249 A CA 2.406 54.455 52.037 0.019 0.000 0.631 249 A CB -0.966 18.044 19.000 0.015 0.000 0.814 249 A HN 1.625 nan 8.150 nan 0.000 0.446 250 G N -0.253 108.564 108.800 0.029 0.000 2.402 250 G HA2 -0.199 2.196 3.960 -2.609 0.000 0.216 250 G HA3 -0.199 2.196 3.960 -2.609 0.000 0.216 250 G C 1.107 176.082 174.900 0.124 0.000 1.162 250 G CA 1.129 46.260 45.100 0.052 0.000 0.777 250 G HN 0.478 nan 8.290 nan 0.000 0.539 251 D N 0.394 120.843 120.400 0.082 0.000 2.144 251 D HA -0.084 2.991 4.640 -2.609 0.000 0.199 251 D C 2.733 179.103 176.300 0.117 0.000 0.984 251 D CA 0.649 54.716 54.000 0.112 0.000 0.834 251 D CB -0.395 40.455 40.800 0.083 0.000 0.955 251 D HN 0.213 nan 8.370 nan 0.000 0.465 252 V N 0.850 120.802 119.914 0.065 0.000 2.358 252 V HA -0.206 2.349 4.120 -2.609 0.000 0.246 252 V C 2.151 178.243 176.094 -0.004 0.000 1.047 252 V CA 1.117 63.398 62.300 -0.031 0.000 1.035 252 V CB -0.564 31.151 31.823 -0.179 0.000 0.658 252 V HN 0.071 nan 8.190 nan 0.000 0.452 253 F N 0.595 120.519 119.950 -0.044 0.000 2.095 253 F HA -0.217 2.744 4.527 -2.610 0.000 0.298 253 F C 2.260 178.100 175.800 0.067 0.000 1.104 253 F CA 2.049 60.054 58.000 0.008 0.000 1.232 253 F CB -0.225 38.790 39.000 0.026 0.000 0.987 253 F HN -0.050 nan 8.300 nan 0.000 0.475 254 V N 0.385 120.518 119.914 0.366 0.000 2.287 254 V HA -0.277 2.278 4.120 -2.609 0.000 0.248 254 V C 2.737 178.884 176.094 0.087 0.000 1.053 254 V CA 2.032 64.512 62.300 0.300 0.000 1.027 254 V CB -1.653 30.368 31.823 0.331 0.000 0.646 254 V HN 0.571 nan 8.190 nan 0.000 0.447 255 G N -0.537 108.298 108.800 0.058 0.000 2.440 255 G HA2 -0.221 2.174 3.960 -2.609 0.000 0.218 255 G HA3 -0.221 2.174 3.960 -2.609 0.000 0.218 255 G C 1.753 176.547 174.900 -0.178 0.000 1.154 255 G CA 1.089 46.181 45.100 -0.014 0.000 0.767 255 G HN 0.622 nan 8.290 nan 0.000 0.552 256 A N 0.114 122.825 122.820 -0.182 0.000 1.930 256 A HA 0.132 2.887 4.320 -2.609 0.000 0.217 256 A C 2.165 179.491 177.584 -0.430 0.000 1.175 256 A CA 1.419 53.256 52.037 -0.334 0.000 0.627 256 A CB -0.500 18.403 19.000 -0.162 0.000 0.815 256 A HN 0.375 nan 8.150 nan 0.000 0.443 257 F N 0.688 120.319 119.950 -0.533 0.000 2.102 257 F HA -0.170 2.791 4.527 -2.609 0.000 0.298 257 F C 2.000 177.453 175.800 -0.579 0.000 1.105 257 F CA 1.593 59.251 58.000 -0.569 0.000 1.239 257 F CB -0.011 38.667 39.000 -0.536 0.000 0.991 257 F HN 0.127 nan 8.300 nan 0.000 0.474 258 I N 0.614 120.988 120.570 -0.327 0.000 2.286 258 I HA -0.265 2.339 4.170 -2.609 0.000 0.248 258 I C 2.725 178.531 176.117 -0.520 0.000 1.115 258 I CA 1.442 62.479 61.300 -0.439 0.000 1.392 258 I CB -2.070 35.760 38.000 -0.284 0.000 1.065 258 I HN 0.245 nan 8.210 nan 0.000 0.418 259 A N 0.987 123.472 122.820 -0.558 0.000 1.902 259 A HA -0.115 2.640 4.320 -2.609 0.000 0.217 259 A C 2.524 179.763 177.584 -0.574 0.000 1.181 259 A CA 1.895 53.541 52.037 -0.651 0.000 0.623 259 A CB -1.332 16.955 19.000 -1.187 0.000 0.818 259 A HN 0.420 nan 8.150 nan 0.000 0.443 260 G N -0.191 108.248 108.800 -0.602 0.000 2.446 260 G HA2 -0.186 2.209 3.960 -2.609 0.000 0.217 260 G HA3 -0.186 2.209 3.960 -2.609 0.000 0.217 260 G C 1.549 176.136 174.900 -0.522 0.000 1.168 260 G CA 1.053 45.842 45.100 -0.518 0.000 0.771 260 G HN 0.429 nan 8.290 nan 0.000 0.551 261 L N 0.749 121.571 121.223 -0.669 0.000 2.083 261 L HA 0.086 2.861 4.340 -2.609 0.000 0.209 261 L C 2.480 179.062 176.870 -0.480 0.000 1.083 261 L CA 0.371 54.824 54.840 -0.644 0.000 0.752 261 L CB -0.729 40.797 42.059 -0.888 0.000 0.899 261 L HN 0.322 nan 8.230 nan 0.000 0.433 267 I N 1.040 121.537 120.570 -0.123 0.000 2.194 267 I HA -0.247 2.358 4.170 -2.609 0.000 0.246 267 I C 1.940 177.897 176.117 -0.266 0.000 1.093 267 I CA 2.929 64.110 61.300 -0.198 0.000 1.355 267 I CB -0.399 37.534 38.000 -0.112 0.000 1.046 267 I HN 0.689 nan 8.210 nan 0.000 0.413 268 T N -2.245 112.147 114.554 -0.270 0.000 2.788 268 T HA -0.232 2.553 4.350 -2.609 0.000 0.268 268 T C 1.864 176.469 174.700 -0.158 0.000 1.044 268 T CA 1.481 63.425 62.100 -0.260 0.000 1.139 268 T CB -0.675 68.087 68.868 -0.176 0.000 0.867 268 T HN 0.610 nan 8.240 nan 0.000 0.454 269 E N 0.893 121.009 120.200 -0.140 0.000 2.106 269 E HA -0.128 2.657 4.350 -2.609 0.000 0.192 269 E C 2.171 178.671 176.600 -0.167 0.000 0.984 269 E CA 1.411 57.738 56.400 -0.121 0.000 0.806 269 E CB -0.387 29.250 29.700 -0.105 0.000 0.750 269 E HN 0.510 nan 8.360 nan 0.000 0.458 270 T N 1.287 115.689 114.554 -0.253 0.000 2.720 270 T HA -0.139 2.645 4.350 -2.609 0.000 0.268 270 T C 1.809 176.325 174.700 -0.306 0.000 1.037 270 T CA 1.234 63.101 62.100 -0.388 0.000 1.144 270 T CB -0.171 68.303 68.868 -0.657 0.000 0.864 270 T HN 0.159 nan 8.240 nan 0.000 0.444 271 L N 0.259 121.379 121.223 -0.171 0.000 2.093 271 L HA -0.080 2.695 4.340 -2.609 0.000 0.208 271 L C 2.630 179.489 176.870 -0.019 0.000 1.085 271 L CA 1.348 56.188 54.840 -0.001 0.000 0.755 271 L CB -0.386 41.715 42.059 0.070 0.000 0.904 271 L HN 0.211 nan 8.230 nan 0.000 0.435 272 K N -0.531 119.840 120.400 -0.047 0.000 2.057 272 K HA -0.116 2.639 4.320 -2.609 0.000 0.206 272 K C 2.045 178.624 176.600 -0.036 0.000 1.050 272 K CA 1.074 57.350 56.287 -0.019 0.000 0.935 272 K CB -0.196 32.291 32.500 -0.021 0.000 0.715 272 K HN 0.075 nan 8.250 nan 0.000 0.439 273 V N 1.445 121.313 119.914 -0.077 0.000 2.295 273 V HA -0.260 2.295 4.120 -2.609 0.000 0.246 273 V C 2.345 178.378 176.094 -0.103 0.000 1.049 273 V CA 2.087 64.353 62.300 -0.056 0.000 1.024 273 V CB -0.648 31.142 31.823 -0.056 0.000 0.648 273 V HN 0.364 nan 8.190 nan 0.000 0.447 274 A N -0.401 122.269 122.820 -0.250 0.000 1.902 274 A HA -0.215 2.540 4.320 -2.609 0.000 0.217 274 A C 2.389 179.825 177.584 -0.247 0.000 1.181 274 A CA 2.478 54.223 52.037 -0.486 0.000 0.623 274 A CB -0.896 17.393 19.000 -1.184 0.000 0.818 274 A HN 0.509 nan 8.150 nan 0.000 0.443 275 T N -0.396 114.136 114.554 -0.036 0.000 2.777 275 T HA 0.009 2.794 4.350 -2.609 0.000 0.266 275 T C 1.972 176.715 174.700 0.072 0.000 1.040 275 T CA 1.277 63.469 62.100 0.153 0.000 1.141 275 T CB -0.542 68.433 68.868 0.178 0.000 0.868 275 T HN 0.568 nan 8.240 nan 0.000 0.444 276 G N 0.331 109.146 108.800 0.025 0.000 2.418 276 G HA2 -0.221 2.173 3.960 -2.609 0.000 0.217 276 G HA3 -0.221 2.173 3.960 -2.609 0.000 0.217 276 G C 1.884 176.788 174.900 0.007 0.000 1.158 276 G CA 1.014 46.129 45.100 0.025 0.000 0.771 276 G HN 0.526 nan 8.290 nan 0.000 0.545 277 C N 1.280 120.544 119.300 -0.059 0.000 2.453 277 C HA -0.027 2.868 4.460 -2.609 0.000 0.277 277 C C 3.520 178.364 174.990 -0.243 0.000 1.262 277 C CA 1.541 60.419 59.018 -0.234 0.000 1.718 277 C CB -0.776 26.695 27.740 -0.448 0.000 2.031 277 C HN 0.596 nan 8.230 nan 0.000 0.480 278 S N 1.723 117.361 115.700 -0.103 0.000 2.402 278 S HA -0.040 2.864 4.470 -2.609 0.000 0.229 278 S C 1.941 176.560 174.600 0.030 0.000 1.021 278 S CA 1.263 59.459 58.200 -0.007 0.000 0.974 278 S CB -0.512 62.782 63.200 0.156 0.000 0.800 278 S HN 0.610 nan 8.310 nan 0.000 0.484 279 A N 1.729 124.576 122.820 0.045 0.000 1.898 279 A HA -0.005 2.750 4.320 -2.609 0.000 0.216 279 A C 2.434 180.053 177.584 0.058 0.000 1.181 279 A CA 1.796 53.865 52.037 0.053 0.000 0.620 279 A CB -1.331 17.702 19.000 0.055 0.000 0.819 279 A HN 0.586 nan 8.150 nan 0.000 0.442 280 S N -0.319 115.424 115.700 0.071 0.000 2.382 280 S HA -0.206 2.699 4.470 -2.609 0.000 0.228 280 S C 2.136 176.818 174.600 0.137 0.000 1.027 280 S CA 2.045 60.315 58.200 0.117 0.000 0.991 280 S CB -0.289 63.028 63.200 0.195 0.000 0.823 280 S HN 0.520 nan 8.310 nan 0.000 0.469 281 K N 1.464 121.938 120.400 0.124 0.000 2.032 281 K HA 0.009 2.764 4.320 -2.609 0.000 0.209 281 K C 0.787 177.437 176.600 0.083 0.000 1.048 281 K CA 1.216 57.581 56.287 0.129 0.000 0.927 281 K CB -1.031 31.509 32.500 0.067 0.000 0.712 281 K HN 0.282 nan 8.250 nan 0.000 0.441 285 Q N 0.228 120.074 119.800 0.078 0.000 2.020 285 Q HA -0.097 2.678 4.340 -2.609 0.000 0.198 285 Q C 0.106 176.143 176.000 0.061 0.000 0.974 285 Q CA 1.974 57.828 55.803 0.085 0.000 0.829 285 Q CB 0.107 28.936 28.738 0.151 0.000 0.894 285 Q HN 0.732 nan 8.270 nan 0.000 0.433 286 D N -0.342 120.105 120.400 0.078 0.000 2.274 286 D HA -0.053 3.022 4.640 -2.609 0.000 0.256 286 D C 0.398 176.706 176.300 0.014 0.000 1.274 286 D CA 0.295 54.320 54.000 0.042 0.000 0.998 286 D CB 0.196 41.044 40.800 0.079 0.000 1.139 286 D HN 0.018 nan 8.370 nan 0.000 0.540 287 S N -2.718 112.977 115.700 -0.008 0.000 2.601 287 S HA 0.302 3.207 4.470 -2.609 0.000 0.244 287 S C 0.607 175.136 174.600 -0.120 0.000 1.001 287 S CA 0.118 58.284 58.200 -0.056 0.000 0.984 287 S CB -0.605 62.551 63.200 -0.075 0.000 0.842 287 S HN 0.589 nan 8.310 nan 0.000 0.474 288 S N -0.770 114.914 115.700 -0.028 0.000 2.490 288 S HA 0.258 3.163 4.470 -2.609 0.000 0.280 288 S C 0.290 174.988 174.600 0.163 0.000 1.048 288 S CA -0.164 58.035 58.200 -0.002 0.000 1.263 288 S CB -0.251 62.961 63.200 0.020 0.000 1.053 288 S HN 0.214 nan 8.310 nan 0.000 0.538 289 S N 2.333 118.122 115.700 0.149 0.000 2.585 289 S HA 0.703 3.608 4.470 -2.609 0.000 0.273 289 S C -0.511 174.247 174.600 0.263 0.000 1.339 289 S CA -0.150 58.145 58.200 0.159 0.000 1.028 289 S CB 0.161 63.410 63.200 0.081 0.000 0.906 289 S HN 0.735 nan 8.310 nan 0.000 0.528 290 F N -0.793 119.174 119.950 0.029 0.000 2.693 290 F HA 0.539 3.500 4.527 -2.611 0.000 0.309 290 F C -1.433 174.364 175.800 -0.003 0.000 1.129 290 F CA -1.242 56.768 58.000 0.017 0.000 0.948 290 F CB 1.048 40.064 39.000 0.026 0.000 1.315 290 F HN 0.349 nan 8.300 nan 0.000 0.447 291 D N 2.659 123.093 120.400 0.058 0.000 2.317 291 D HA 0.187 3.262 4.640 -2.609 0.000 0.234 291 D C 0.616 176.896 176.300 -0.033 0.000 1.112 291 D CA -0.197 53.760 54.000 -0.073 0.000 0.840 291 D CB 1.678 42.477 40.800 -0.002 0.000 1.078 291 D HN 0.695 nan 8.370 nan 0.000 0.486 292 L N 4.420 125.510 121.223 -0.222 0.000 2.131 292 L HA -0.092 2.683 4.340 -2.609 0.000 0.210 292 L C 2.027 178.859 176.870 -0.064 0.000 1.092 292 L CA 1.708 56.458 54.840 -0.150 0.000 0.759 292 L CB -0.523 41.363 42.059 -0.288 0.000 0.903 292 L HN 0.636 nan 8.230 nan 0.000 0.435 293 E N -0.923 119.238 120.200 -0.065 0.000 2.028 293 E HA -0.206 2.579 4.350 -2.609 0.000 0.191 293 E C 2.136 178.733 176.600 -0.005 0.000 0.988 293 E CA 1.100 57.477 56.400 -0.038 0.000 0.799 293 E CB -0.103 29.573 29.700 -0.040 0.000 0.755 293 E HN 0.483 nan 8.360 nan 0.000 0.447 294 A N 1.254 124.082 122.820 0.013 0.000 1.902 294 A HA -0.104 2.650 4.320 -2.609 0.000 0.217 294 A C 2.399 180.013 177.584 0.049 0.000 1.181 294 A CA 1.860 53.917 52.037 0.033 0.000 0.623 294 A CB -0.807 18.220 19.000 0.046 0.000 0.818 294 A HN 0.432 nan 8.150 nan 0.000 0.443 295 A N -0.447 122.421 122.820 0.081 0.000 1.902 295 A HA 0.109 2.864 4.320 -2.609 0.000 0.217 295 A C 2.408 180.019 177.584 0.045 0.000 1.181 295 A CA 1.881 53.970 52.037 0.087 0.000 0.623 295 A CB -1.412 17.688 19.000 0.165 0.000 0.818 295 A HN 0.793 nan 8.150 nan 0.000 0.443 296 G N -0.582 108.233 108.800 0.024 0.000 2.448 296 G HA2 -0.198 2.197 3.960 -2.609 0.000 0.219 296 G HA3 -0.198 2.197 3.960 -2.609 0.000 0.219 296 G C 1.645 176.551 174.900 0.009 0.000 1.127 296 G CA 1.153 46.258 45.100 0.007 0.000 0.766 296 G HN 0.613 nan 8.290 nan 0.000 0.552 297 K N -0.413 119.995 120.400 0.013 0.000 2.128 297 K HA 0.279 3.034 4.320 -2.609 0.000 0.202 297 K C 2.388 178.999 176.600 0.019 0.000 1.050 297 K CA 0.057 56.352 56.287 0.013 0.000 0.966 297 K CB -0.185 32.322 32.500 0.012 0.000 0.759 297 K HN 0.187 nan 8.250 nan 0.000 0.454 298 L N 1.943 123.182 121.223 0.026 0.000 2.079 298 L HA -0.191 2.584 4.340 -2.609 0.000 0.210 298 L C 2.620 179.507 176.870 0.028 0.000 1.081 298 L CA 1.240 56.098 54.840 0.031 0.000 0.752 298 L CB -0.418 41.665 42.059 0.040 0.000 0.896 298 L HN 0.216 nan 8.230 nan 0.000 0.433 299 K N 0.410 120.824 120.400 0.025 0.000 2.160 299 K HA -0.212 2.543 4.320 -2.609 0.000 0.206 299 K C 1.437 178.046 176.600 0.016 0.000 1.047 299 K CA 1.659 57.957 56.287 0.018 0.000 0.930 299 K CB -0.054 32.454 32.500 0.013 0.000 0.720 299 K HN 0.328 nan 8.250 nan 0.000 0.450 300 N N 1.057 119.765 118.700 0.015 0.000 2.521 300 N HA -0.056 3.118 4.740 -2.609 0.000 0.188 300 N C 0.189 175.709 175.510 0.018 0.000 1.146 300 N CA 0.693 53.751 53.050 0.013 0.000 0.893 300 N CB 0.470 38.963 38.487 0.010 0.000 0.975 300 N HN 0.434 nan 8.380 nan 0.000 0.451 301 Q N -0.176 119.638 119.800 0.022 0.000 2.157 301 Q HA 0.272 3.047 4.340 -2.609 0.000 0.229 301 Q C -0.738 175.281 176.000 0.032 0.000 0.827 301 Q CA -0.104 55.715 55.803 0.026 0.000 1.055 301 Q CB 1.461 30.214 28.738 0.025 0.000 1.157 301 Q HN -0.054 nan 8.270 nan 0.000 0.482 302 V N 1.061 120.996 119.914 0.034 0.000 2.394 302 V HA 0.277 2.832 4.120 -2.609 0.000 0.282 302 V C 0.012 176.133 176.094 0.045 0.000 1.031 302 V CA -0.489 61.838 62.300 0.044 0.000 0.881 302 V CB 1.696 33.548 31.823 0.048 0.000 0.982 302 V HN 0.161 nan 8.190 nan 0.000 0.451 303 S N 5.900 121.632 115.700 0.053 0.000 2.508 303 S HA 0.716 3.621 4.470 -2.609 0.000 0.284 303 S C -0.703 173.941 174.600 0.074 0.000 1.192 303 S CA -0.519 57.714 58.200 0.056 0.000 1.070 303 S CB 0.405 63.636 63.200 0.052 0.000 1.004 303 S HN 0.549 nan 8.310 nan 0.000 0.493 304 I N 5.264 125.882 120.570 0.081 0.000 2.478 304 I HA 0.452 3.057 4.170 -2.609 0.000 0.287 304 I C -0.966 175.235 176.117 0.140 0.000 1.042 304 I CA -0.521 60.850 61.300 0.118 0.000 1.067 304 I CB 1.759 39.817 38.000 0.097 0.000 1.233 304 I HN 0.564 nan 8.210 nan 0.000 0.431 305 I N 5.464 126.128 120.570 0.157 0.000 2.465 305 I HA 0.305 2.910 4.170 -2.609 0.000 0.291 305 I C -0.200 176.002 176.117 0.143 0.000 1.014 305 I CA -0.637 60.741 61.300 0.130 0.000 1.093 305 I CB 2.181 40.230 38.000 0.082 0.000 1.267 305 I HN 0.531 nan 8.210 nan 0.000 0.431 306 Q N 5.546 125.406 119.800 0.100 0.000 2.286 306 Q HA 0.429 3.204 4.340 -2.609 0.000 0.257 306 Q C -1.209 174.769 176.000 -0.037 0.000 0.941 306 Q CA -0.477 55.311 55.803 -0.025 0.000 0.912 306 Q CB 1.118 29.822 28.738 -0.056 0.000 1.192 306 Q HN 0.530 nan 8.270 nan 0.000 0.410 307 L N 3.744 124.924 121.223 -0.072 0.000 2.260 307 L HA 0.284 3.059 4.340 -2.609 0.000 0.289 307 L C 0.170 177.005 176.870 -0.059 0.000 1.057 307 L CA -0.452 54.363 54.840 -0.043 0.000 0.811 307 L CB 1.027 43.069 42.059 -0.029 0.000 1.184 307 L HN 0.623 nan 8.230 nan 0.000 0.429 308 E N 0.000 120.177 120.200 -0.038 0.000 2.725 308 E HA 0.000 2.785 4.350 -2.609 0.000 0.291 308 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 308 E CB 0.000 29.686 29.700 -0.023 0.000 0.812 308 E HN 0.000 nan 8.360 nan 0.000 0.440