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 2xa1_1_B DATA FIRST_RESID 2 DATA SEQUENCE KXYEVKXXXX XKRKLEDYKS IIGEEEVSKI QEKAEKLKGR SFVHVNSTSF DATA SEQUENCE GGGVAEILHS LVPLLRSIGI EARWFVIEGP TEFFNVTKTF HNALQGNESL DATA SEQUENCE KLTEEXKELY LNVNRENSKF IDLSSFDYVL VHDPQPAALI EFYEKKSPWL DATA SEQUENCE WRCHIDLSSP NREFWEFLRR FVEKYDRYIF HLPEYVQPEL DRNKAVIXPP DATA SEQUENCE SIDPLSEKNV ELKQTEILRI LERFDVDPEK PIITQVSRFD PWKGIFDVIE DATA SEQUENCE IYRKVKEKIP GVQLLLVGVX AHDDPEGWIY FEKTLRKIGE DYDVKVLTNL DATA SEQUENCE IGVHAREVNA FQRASDVILQ XSIREGFGLT VTEAXWKGKP VIGRAVGGIK DATA SEQUENCE FQIVDGETGF LVRDANEAVE VVLYLLKHPE VSKEXGAKAK ERVRKNFIIT DATA SEQUENCE KHXERYLDIL N 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 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.556 176.600 -0.073 0.000 0.988 2 K CA 0.000 56.180 56.287 -0.179 0.000 0.838 2 K CB 0.000 32.426 32.500 -0.123 0.000 1.064 5 E N 2.236 122.534 120.200 0.164 0.000 2.342 5 E HA 0.547 4.895 4.350 -0.003 0.000 0.257 5 E C -0.859 175.615 176.600 -0.209 0.000 1.150 5 E CA -0.185 56.180 56.400 -0.057 0.000 0.926 5 E CB 1.905 31.670 29.700 0.109 0.000 1.074 5 E HN 0.784 nan 8.360 nan 0.000 0.449 6 V N 0.542 120.211 119.914 -0.409 0.000 3.309 6 V HA 0.177 4.295 4.120 -0.003 0.000 0.268 6 V C 0.608 176.529 176.094 -0.289 0.000 1.631 6 V CA 0.974 63.058 62.300 -0.361 0.000 1.018 6 V CB -0.139 31.307 31.823 -0.629 0.000 0.841 6 V HN 0.776 nan 8.190 nan 0.000 0.418 14 R N 3.501 124.009 120.500 0.013 0.000 2.986 14 R HA 0.112 4.451 4.340 -0.003 0.000 0.193 14 R C -1.592 174.761 176.300 0.089 0.000 1.533 14 R CA -0.384 55.746 56.100 0.049 0.000 1.112 14 R CB 0.274 30.622 30.300 0.079 0.000 1.546 14 R HN 0.615 nan 8.270 nan 0.000 0.605 15 K N 1.559 121.998 120.400 0.065 0.000 2.144 15 K HA 0.197 4.515 4.320 -0.003 0.000 0.270 15 K C 0.831 177.515 176.600 0.140 0.000 1.005 15 K CA -0.899 55.432 56.287 0.075 0.000 0.932 15 K CB 1.249 33.772 32.500 0.037 0.000 1.021 15 K HN 0.105 nan 8.250 nan 0.000 0.462 16 L N 1.853 123.149 121.223 0.121 0.000 2.064 16 L HA -0.262 4.076 4.340 -0.003 0.000 0.216 16 L C 2.215 179.194 176.870 0.182 0.000 1.077 16 L CA 2.052 56.982 54.840 0.150 0.000 0.766 16 L CB -0.770 41.320 42.059 0.052 0.000 0.890 16 L HN 0.987 nan 8.230 nan 0.000 0.435 17 E N -0.898 119.361 120.200 0.099 0.000 2.209 17 E HA -0.258 4.090 4.350 -0.003 0.000 0.196 17 E C 1.483 178.117 176.600 0.057 0.000 0.993 17 E CA 1.200 57.642 56.400 0.070 0.000 0.819 17 E CB -0.083 29.637 29.700 0.035 0.000 0.745 17 E HN 0.605 nan 8.360 nan 0.000 0.477 18 D N -0.574 119.845 120.400 0.032 0.000 2.311 18 D HA -0.178 4.460 4.640 -0.003 0.000 0.212 18 D C 0.561 176.717 176.300 -0.241 0.000 0.972 18 D CA 1.039 54.962 54.000 -0.129 0.000 0.887 18 D CB -0.101 40.558 40.800 -0.235 0.000 0.915 18 D HN 0.452 nan 8.370 nan 0.000 0.497 19 Y N -0.240 120.061 120.300 0.002 0.000 2.467 19 Y HA 0.207 4.754 4.550 -0.004 0.000 0.250 19 Y C 1.958 177.868 175.900 0.017 0.000 1.155 19 Y CA -0.484 57.620 58.100 0.008 0.000 1.249 19 Y CB 0.236 38.689 38.460 -0.012 0.000 1.146 19 Y HN -0.211 nan 8.280 nan 0.000 0.524 20 K N 1.069 121.551 120.400 0.136 0.000 2.034 20 K HA -0.260 4.059 4.320 -0.003 0.000 0.214 20 K C 2.120 178.765 176.600 0.076 0.000 1.051 20 K CA 2.309 58.648 56.287 0.088 0.000 0.931 20 K CB -0.228 32.304 32.500 0.054 0.000 0.715 20 K HN 0.378 nan 8.250 nan 0.000 0.446 21 S N 0.111 115.847 115.700 0.060 0.000 2.465 21 S HA -0.116 4.352 4.470 -0.003 0.000 0.241 21 S C 1.844 176.493 174.600 0.082 0.000 1.000 21 S CA 1.179 59.411 58.200 0.054 0.000 0.964 21 S CB -0.452 62.768 63.200 0.033 0.000 0.763 21 S HN 0.368 nan 8.310 nan 0.000 0.512 22 I N 1.174 121.818 120.570 0.123 0.000 2.628 22 I HA 0.122 4.290 4.170 -0.003 0.000 0.255 22 I C 2.255 178.463 176.117 0.153 0.000 1.119 22 I CA 0.817 62.224 61.300 0.178 0.000 1.448 22 I CB -0.162 37.995 38.000 0.261 0.000 1.133 22 I HN 0.336 nan 8.210 nan 0.000 0.438 23 I N -1.235 119.408 120.570 0.123 0.000 3.854 23 I HA 0.469 4.637 4.170 -0.003 0.000 0.312 23 I C 0.861 177.011 176.117 0.055 0.000 1.273 23 I CA 0.049 61.398 61.300 0.081 0.000 1.298 23 I CB -0.136 37.898 38.000 0.056 0.000 1.071 23 I HN 0.163 nan 8.210 nan 0.000 0.428 24 G N 2.566 111.399 108.800 0.055 0.000 2.862 24 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.686 24 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.686 24 G C 0.128 175.046 174.900 0.029 0.000 1.134 24 G CA 0.150 45.272 45.100 0.037 0.000 0.791 24 G HN 0.377 nan 8.290 nan 0.000 0.592 25 E N 0.340 120.554 120.200 0.024 0.000 2.136 25 E HA -0.211 4.138 4.350 -0.003 0.000 0.202 25 E C 2.132 178.740 176.600 0.013 0.000 1.019 25 E CA 2.539 58.951 56.400 0.019 0.000 0.819 25 E CB -0.115 29.594 29.700 0.015 0.000 0.739 25 E HN 0.784 nan 8.360 nan 0.000 0.458 26 E N -0.169 120.038 120.200 0.011 0.000 2.012 26 E HA -0.307 4.042 4.350 -0.003 0.000 0.197 26 E C 2.010 178.612 176.600 0.003 0.000 1.007 26 E CA 1.659 58.063 56.400 0.006 0.000 0.816 26 E CB -0.280 29.423 29.700 0.005 0.000 0.762 26 E HN 0.201 nan 8.360 nan 0.000 0.451 27 E N 0.210 120.412 120.200 0.003 0.000 2.118 27 E HA -0.165 4.183 4.350 -0.003 0.000 0.195 27 E C 1.948 178.545 176.600 -0.006 0.000 0.992 27 E CA 1.521 57.918 56.400 -0.004 0.000 0.804 27 E CB -0.261 29.438 29.700 -0.002 0.000 0.741 27 E HN 0.244 nan 8.360 nan 0.000 0.458 28 V N 0.309 120.226 119.914 0.005 0.000 2.720 28 V HA -0.213 3.905 4.120 -0.003 0.000 0.256 28 V C 2.250 178.344 176.094 0.000 0.000 1.082 28 V CA 1.657 63.961 62.300 0.006 0.000 1.101 28 V CB -0.514 31.322 31.823 0.021 0.000 0.693 28 V HN 0.212 nan 8.190 nan 0.000 0.479 29 S N -0.156 115.544 115.700 0.000 0.000 2.325 29 S HA -0.140 4.328 4.470 -0.003 0.000 0.213 29 S C 1.963 176.559 174.600 -0.006 0.000 1.031 29 S CA 1.135 59.334 58.200 -0.001 0.000 0.984 29 S CB -0.295 62.906 63.200 0.001 0.000 0.939 29 S HN 0.531 nan 8.310 nan 0.000 0.438 30 K N 0.805 121.200 120.400 -0.009 0.000 2.163 30 K HA -0.193 4.126 4.320 -0.003 0.000 0.210 30 K C 1.928 178.518 176.600 -0.017 0.000 1.048 30 K CA 1.522 57.801 56.287 -0.012 0.000 0.928 30 K CB -0.552 31.939 32.500 -0.016 0.000 0.716 30 K HN 0.362 nan 8.250 nan 0.000 0.459 31 I N 0.803 121.360 120.570 -0.022 0.000 2.133 31 I HA -0.304 3.864 4.170 -0.003 0.000 0.238 31 I C 2.520 178.623 176.117 -0.022 0.000 1.074 31 I CA 1.391 62.673 61.300 -0.030 0.000 1.342 31 I CB -0.292 37.684 38.000 -0.040 0.000 1.053 31 I HN 0.211 nan 8.210 nan 0.000 0.404 32 Q N 0.236 120.027 119.800 -0.015 0.000 2.181 32 Q HA -0.279 4.059 4.340 -0.003 0.000 0.205 32 Q C 2.063 178.059 176.000 -0.008 0.000 0.980 32 Q CA 1.773 57.570 55.803 -0.010 0.000 0.862 32 Q CB -0.124 28.612 28.738 -0.004 0.000 0.905 32 Q HN 0.475 nan 8.270 nan 0.000 0.429 33 E N 1.169 121.365 120.200 -0.007 0.000 2.007 33 E HA -0.225 4.124 4.350 -0.003 0.000 0.194 33 E C 1.545 178.142 176.600 -0.005 0.000 0.999 33 E CA 1.230 57.627 56.400 -0.005 0.000 0.811 33 E CB 0.091 29.788 29.700 -0.004 0.000 0.762 33 E HN 0.182 nan 8.360 nan 0.000 0.450 34 K N -0.008 120.387 120.400 -0.009 0.000 2.281 34 K HA -0.090 4.228 4.320 -0.003 0.000 0.203 34 K C 1.844 178.438 176.600 -0.011 0.000 1.046 34 K CA 0.837 57.119 56.287 -0.008 0.000 0.938 34 K CB -0.068 32.426 32.500 -0.011 0.000 0.737 34 K HN 0.161 nan 8.250 nan 0.000 0.458 35 A N 1.089 123.900 122.820 -0.015 0.000 2.235 35 A HA -0.061 4.258 4.320 -0.003 0.000 0.208 35 A C 1.515 179.092 177.584 -0.011 0.000 1.172 35 A CA 0.785 52.811 52.037 -0.018 0.000 0.786 35 A CB -0.006 18.980 19.000 -0.023 0.000 0.804 35 A HN 0.103 nan 8.150 nan 0.000 0.479 36 E N 0.469 120.666 120.200 -0.005 0.000 2.201 36 E HA -0.044 4.304 4.350 -0.003 0.000 0.193 36 E C 1.257 177.861 176.600 0.005 0.000 0.957 36 E CA 0.926 57.327 56.400 0.001 0.000 0.858 36 E CB -0.131 29.570 29.700 0.003 0.000 0.816 36 E HN 0.851 nan 8.360 nan 0.000 0.475 37 K N 0.753 121.156 120.400 0.005 0.000 2.591 37 K HA 0.129 4.447 4.320 -0.003 0.000 0.197 37 K C 1.211 177.818 176.600 0.013 0.000 1.026 37 K CA 0.385 56.680 56.287 0.012 0.000 1.127 37 K CB 0.126 32.634 32.500 0.014 0.000 0.871 37 K HN 0.038 nan 8.250 nan 0.000 0.507 38 L N -0.213 121.011 121.223 0.001 0.000 3.689 38 L HA 0.171 4.509 4.340 -0.003 0.000 0.344 38 L C 0.269 177.136 176.870 -0.005 0.000 1.221 38 L CA -0.650 54.181 54.840 -0.015 0.000 1.171 38 L CB 0.407 42.430 42.059 -0.060 0.000 1.540 38 L HN 0.084 nan 8.230 nan 0.000 0.631 39 K N 1.307 121.710 120.400 0.005 0.000 2.494 39 K HA 0.141 4.459 4.320 -0.003 0.000 0.273 39 K C 1.370 177.986 176.600 0.026 0.000 0.970 39 K CA 1.406 57.700 56.287 0.012 0.000 0.963 39 K CB 0.453 32.960 32.500 0.012 0.000 0.913 39 K HN 0.187 nan 8.250 nan 0.000 0.502 40 G N 2.880 111.699 108.800 0.032 0.000 2.435 40 G HA2 -0.353 3.605 3.960 -0.003 0.000 0.245 40 G HA3 -0.353 3.605 3.960 -0.003 0.000 0.245 40 G C 0.258 175.200 174.900 0.069 0.000 1.073 40 G CA 0.538 45.666 45.100 0.046 0.000 0.638 40 G HN 0.706 nan 8.290 nan 0.000 0.521 41 R N 0.714 121.259 120.500 0.075 0.000 2.944 41 R HA 0.441 4.779 4.340 -0.003 0.000 0.279 41 R C 0.122 176.509 176.300 0.145 0.000 1.048 41 R CA 0.641 56.812 56.100 0.119 0.000 1.196 41 R CB 0.086 30.461 30.300 0.124 0.000 1.134 41 R HN 0.257 nan 8.270 nan 0.000 0.525 42 S N 0.534 116.365 115.700 0.218 0.000 2.489 42 S HA 0.389 4.857 4.470 -0.003 0.000 0.291 42 S C -1.209 173.515 174.600 0.207 0.000 1.151 42 S CA -0.472 57.887 58.200 0.264 0.000 1.082 42 S CB 0.632 64.104 63.200 0.453 0.000 1.019 42 S HN 0.361 nan 8.310 nan 0.000 0.492 43 F N 4.205 124.125 119.950 -0.050 0.000 2.646 43 F HA 0.481 5.007 4.527 -0.003 0.000 0.364 43 F C -0.713 174.901 175.800 -0.310 0.000 1.137 43 F CA -0.744 57.133 58.000 -0.205 0.000 1.085 43 F CB 0.515 39.365 39.000 -0.249 0.000 1.331 43 F HN 0.266 nan 8.300 nan 0.000 0.472 44 V N 5.290 125.088 119.914 -0.194 0.000 2.617 44 V HA 0.400 4.518 4.120 -0.003 0.000 0.298 44 V C -0.396 175.541 176.094 -0.262 0.000 1.048 44 V CA -0.537 61.608 62.300 -0.257 0.000 0.964 44 V CB 1.577 33.101 31.823 -0.499 0.000 1.004 44 V HN 0.497 nan 8.190 nan 0.000 0.466 45 H N 2.294 121.399 119.070 0.058 0.000 2.600 45 H HA 0.670 5.225 4.556 -0.003 0.000 0.357 45 H C -1.112 174.341 175.328 0.208 0.000 1.106 45 H CA -0.323 55.787 56.048 0.103 0.000 1.193 45 H CB 2.209 31.933 29.762 -0.063 0.000 1.594 45 H HN 0.384 nan 8.280 nan 0.000 0.526 46 V N 4.577 124.711 119.914 0.368 0.000 2.789 46 V HA 0.380 4.499 4.120 -0.003 0.000 0.311 46 V C -0.006 176.299 176.094 0.351 0.000 1.073 46 V CA -0.843 61.671 62.300 0.358 0.000 0.921 46 V CB 2.040 34.013 31.823 0.250 0.000 1.009 46 V HN 0.943 nan 8.190 nan 0.000 0.426 47 N N 1.861 120.760 118.700 0.330 0.000 3.378 47 N HA 0.299 5.037 4.740 -0.003 0.000 0.294 47 N C 0.114 175.805 175.510 0.301 0.000 1.544 47 N CA -0.171 53.049 53.050 0.282 0.000 0.872 47 N CB 1.438 39.998 38.487 0.122 0.000 1.670 47 N HN 0.263 nan 8.380 nan 0.000 0.551 48 S N -0.431 115.432 115.700 0.273 0.000 2.355 48 S HA 0.082 4.550 4.470 -0.003 0.000 0.216 48 S C 0.830 175.570 174.600 0.234 0.000 1.037 48 S CA 1.015 59.398 58.200 0.306 0.000 0.955 48 S CB -0.357 63.006 63.200 0.271 0.000 0.877 48 S HN 0.791 nan 8.310 nan 0.000 0.488 49 T N 0.050 114.694 114.554 0.150 0.000 2.902 49 T HA 0.432 4.781 4.350 -0.003 0.000 0.280 49 T C 0.807 175.634 174.700 0.213 0.000 0.992 49 T CA -0.182 62.017 62.100 0.165 0.000 1.015 49 T CB 1.509 70.433 68.868 0.092 0.000 1.044 49 T HN 0.115 nan 8.240 nan 0.000 0.520 50 S N 0.764 116.587 115.700 0.206 0.000 2.589 50 S HA 0.358 4.827 4.470 -0.003 0.000 0.235 50 S C -0.712 173.669 174.600 -0.365 0.000 1.051 50 S CA -0.465 57.648 58.200 -0.144 0.000 0.978 50 S CB 0.070 63.070 63.200 -0.334 0.000 0.929 50 S HN 0.537 nan 8.310 nan 0.000 0.523 51 F N 1.415 121.394 119.950 0.048 0.000 2.460 51 F HA 0.798 5.323 4.527 -0.003 0.000 0.341 51 F C 0.745 176.559 175.800 0.023 0.000 1.130 51 F CA -0.267 57.764 58.000 0.051 0.000 0.962 51 F CB 1.692 40.725 39.000 0.056 0.000 1.171 51 F HN 0.208 nan 8.300 nan 0.000 0.436 52 G N 0.814 109.697 108.800 0.138 0.000 2.343 52 G HA2 0.454 4.412 3.960 -0.003 0.000 0.289 52 G HA3 0.454 4.412 3.960 -0.003 0.000 0.289 52 G C -0.973 173.937 174.900 0.018 0.000 1.295 52 G CA -0.230 44.915 45.100 0.076 0.000 0.869 52 G HN 0.870 nan 8.290 nan 0.000 0.522 53 G N -1.819 106.979 108.800 -0.002 0.000 2.642 53 G HA2 0.800 4.758 3.960 -0.003 0.000 0.291 53 G HA3 0.800 4.758 3.960 -0.003 0.000 0.291 53 G C 1.187 176.038 174.900 -0.083 0.000 1.345 53 G CA 1.111 46.194 45.100 -0.028 0.000 1.043 53 G HN 2.367 nan 8.290 nan 0.000 0.528 54 G N -1.313 107.429 108.800 -0.097 0.000 2.602 54 G HA2 -0.297 3.661 3.960 -0.003 0.000 0.310 54 G HA3 -0.297 3.661 3.960 -0.003 0.000 0.310 54 G C 1.406 176.165 174.900 -0.234 0.000 1.183 54 G CA 1.696 46.708 45.100 -0.147 0.000 0.979 54 G HN 1.415 nan 8.290 nan 0.000 0.545 55 V N 1.501 121.223 119.914 -0.320 0.000 2.219 55 V HA -0.058 4.060 4.120 -0.003 0.000 0.248 55 V C 3.525 179.318 176.094 -0.501 0.000 1.053 55 V CA 4.066 66.092 62.300 -0.456 0.000 1.009 55 V CB -1.665 29.857 31.823 -0.501 0.000 0.636 55 V HN 1.616 nan 8.190 nan 0.000 0.445 56 A N -0.432 122.174 122.820 -0.357 0.000 1.852 56 A HA -0.365 3.953 4.320 -0.003 0.000 0.217 56 A C 2.288 179.646 177.584 -0.377 0.000 1.215 56 A CA 2.527 54.373 52.037 -0.318 0.000 0.641 56 A CB -0.920 18.013 19.000 -0.111 0.000 0.838 56 A HN 0.650 nan 8.150 nan 0.000 0.450 57 E N -0.811 119.264 120.200 -0.208 0.000 2.086 57 E HA -0.230 4.118 4.350 -0.003 0.000 0.200 57 E C 1.909 178.436 176.600 -0.123 0.000 1.012 57 E CA 1.669 58.014 56.400 -0.092 0.000 0.812 57 E CB -0.178 29.492 29.700 -0.050 0.000 0.743 57 E HN 0.522 nan 8.360 nan 0.000 0.453 58 I N 0.868 121.304 120.570 -0.223 0.000 2.202 58 I HA -0.257 3.912 4.170 -0.003 0.000 0.242 58 I C 2.497 178.436 176.117 -0.296 0.000 1.091 58 I CA 1.053 62.213 61.300 -0.235 0.000 1.368 58 I CB -1.117 36.725 38.000 -0.263 0.000 1.058 58 I HN 0.279 nan 8.210 nan 0.000 0.410 59 L N -0.325 120.571 121.223 -0.545 0.000 2.012 59 L HA -0.271 4.068 4.340 -0.003 0.000 0.210 59 L C 2.572 179.280 176.870 -0.269 0.000 1.073 59 L CA 1.530 55.931 54.840 -0.732 0.000 0.748 59 L CB -1.029 39.970 42.059 -1.766 0.000 0.891 59 L HN 0.313 nan 8.230 nan 0.000 0.431 60 H N -1.058 117.931 119.070 -0.136 0.000 2.472 60 H HA -0.187 4.367 4.556 -0.003 0.000 0.296 60 H C 2.181 177.508 175.328 -0.001 0.000 1.120 60 H CA 1.183 57.275 56.048 0.074 0.000 1.250 60 H CB 0.283 30.086 29.762 0.069 0.000 1.366 60 H HN 0.328 nan 8.280 nan 0.000 0.524 61 S N -0.492 115.247 115.700 0.066 0.000 2.566 61 S HA -0.018 4.450 4.470 -0.003 0.000 0.234 61 S C 1.809 176.395 174.600 -0.023 0.000 1.075 61 S CA -0.064 58.154 58.200 0.032 0.000 0.926 61 S CB 0.148 63.369 63.200 0.035 0.000 0.811 61 S HN 0.127 nan 8.310 nan 0.000 0.518 62 L N 2.610 123.777 121.223 -0.094 0.000 2.083 62 L HA 0.014 4.353 4.340 -0.003 0.000 0.209 62 L C 2.039 178.828 176.870 -0.134 0.000 1.083 62 L CA 1.471 56.236 54.840 -0.124 0.000 0.752 62 L CB -0.714 41.249 42.059 -0.160 0.000 0.899 62 L HN 0.096 nan 8.230 nan 0.000 0.433 63 V N 0.560 120.402 119.914 -0.121 0.000 2.214 63 V HA -0.215 3.903 4.120 -0.003 0.000 0.244 63 V C 0.079 176.146 176.094 -0.044 0.000 1.045 63 V CA 2.393 64.650 62.300 -0.071 0.000 0.993 63 V CB -1.909 29.932 31.823 0.030 0.000 0.633 63 V HN 0.314 nan 8.190 nan 0.000 0.449 64 P HA -0.198 nan 4.420 nan 0.000 0.216 64 P C 1.912 179.205 177.300 -0.012 0.000 1.157 64 P CA 1.397 64.497 63.100 -0.001 0.000 0.880 64 P CB -0.155 31.554 31.700 0.015 0.000 0.791 65 L N -1.165 120.049 121.223 -0.015 0.000 2.081 65 L HA -0.182 4.157 4.340 -0.003 0.000 0.212 65 L C 2.222 179.056 176.870 -0.061 0.000 1.080 65 L CA 1.765 56.591 54.840 -0.023 0.000 0.754 65 L CB -1.366 40.663 42.059 -0.050 0.000 0.893 65 L HN -0.074 nan 8.230 nan 0.000 0.433 66 L N -1.007 120.157 121.223 -0.099 0.000 2.027 66 L HA -0.197 4.141 4.340 -0.003 0.000 0.206 66 L C 2.795 179.614 176.870 -0.085 0.000 1.074 66 L CA 1.317 56.075 54.840 -0.136 0.000 0.745 66 L CB -0.424 41.489 42.059 -0.244 0.000 0.898 66 L HN 0.298 nan 8.230 nan 0.000 0.433 67 R N -0.533 119.932 120.500 -0.058 0.000 2.083 67 R HA -0.156 4.182 4.340 -0.003 0.000 0.237 67 R C 2.254 178.543 176.300 -0.018 0.000 1.137 67 R CA 1.707 57.791 56.100 -0.027 0.000 0.951 67 R CB -1.039 29.253 30.300 -0.013 0.000 0.851 67 R HN 0.257 nan 8.270 nan 0.000 0.434 68 S N 1.787 117.478 115.700 -0.014 0.000 2.413 68 S HA -0.146 4.323 4.470 -0.003 0.000 0.237 68 S C 1.912 176.508 174.600 -0.007 0.000 1.044 68 S CA 1.741 59.940 58.200 -0.003 0.000 1.024 68 S CB -0.439 62.767 63.200 0.009 0.000 0.829 68 S HN 0.525 nan 8.310 nan 0.000 0.475 69 I N -1.341 119.217 120.570 -0.021 0.000 3.806 69 I HA 0.452 4.620 4.170 -0.003 0.000 0.321 69 I C 0.791 176.898 176.117 -0.017 0.000 1.315 69 I CA -0.009 61.279 61.300 -0.021 0.000 1.148 69 I CB -0.878 37.100 38.000 -0.035 0.000 1.028 69 I HN 0.182 nan 8.210 nan 0.000 0.415 70 G N 2.737 111.530 108.800 -0.011 0.000 2.473 70 G HA2 -0.201 3.758 3.960 -0.003 0.000 0.289 70 G HA3 -0.201 3.758 3.960 -0.003 0.000 0.289 70 G C -0.601 174.297 174.900 -0.003 0.000 1.084 70 G CA -0.116 44.982 45.100 -0.003 0.000 1.215 70 G HN 0.524 nan 8.290 nan 0.000 0.527 71 I N -0.326 120.241 120.570 -0.006 0.000 2.611 71 I HA 0.172 4.341 4.170 -0.003 0.000 0.287 71 I C 0.437 176.566 176.117 0.020 0.000 1.184 71 I CA -0.738 60.564 61.300 0.003 0.000 1.054 71 I CB 2.060 40.044 38.000 -0.026 0.000 1.257 71 I HN 0.330 nan 8.210 nan 0.000 0.435 72 E N 5.852 126.087 120.200 0.057 0.000 2.127 72 E HA 0.236 4.585 4.350 -0.003 0.000 0.295 72 E C -0.119 176.536 176.600 0.091 0.000 1.155 72 E CA -0.186 56.262 56.400 0.081 0.000 1.201 72 E CB 0.268 30.040 29.700 0.119 0.000 1.083 72 E HN 0.590 nan 8.360 nan 0.000 0.472 73 A N 4.119 126.962 122.820 0.038 0.000 2.309 73 A HA 0.520 4.839 4.320 -0.003 0.000 0.298 73 A C -0.098 177.478 177.584 -0.014 0.000 1.165 73 A CA -0.473 51.577 52.037 0.021 0.000 0.821 73 A CB 0.821 19.763 19.000 -0.095 0.000 1.102 73 A HN 0.609 nan 8.150 nan 0.000 0.500 74 R N 0.963 121.424 120.500 -0.065 0.000 2.808 74 R HA 0.488 4.827 4.340 -0.003 0.000 0.272 74 R C -2.199 173.937 176.300 -0.274 0.000 0.995 74 R CA -0.580 55.382 56.100 -0.230 0.000 0.917 74 R CB 1.558 31.635 30.300 -0.372 0.000 1.217 74 R HN 0.786 nan 8.270 nan 0.000 0.471 75 W N 5.019 125.937 121.300 -0.636 0.000 2.554 75 W HA 0.439 5.098 4.660 -0.002 0.000 0.324 75 W C -2.121 174.003 176.519 -0.658 0.000 1.018 75 W CA -1.483 55.565 57.345 -0.495 0.000 1.243 75 W CB 0.517 29.821 29.460 -0.261 0.000 1.345 75 W HN 0.395 nan 8.180 nan 0.000 0.441 76 F N 4.829 124.906 119.950 0.211 0.000 2.507 76 F HA 0.709 5.235 4.527 -0.003 0.000 0.327 76 F C -0.080 175.704 175.800 -0.027 0.000 1.068 76 F CA -1.407 56.561 58.000 -0.054 0.000 0.965 76 F CB 1.628 40.628 39.000 0.000 0.000 1.192 76 F HN -0.144 nan 8.300 nan 0.000 0.476 77 V N 3.918 123.762 119.914 -0.118 0.000 2.443 77 V HA 0.332 4.451 4.120 -0.003 0.000 0.293 77 V C 0.159 176.277 176.094 0.039 0.000 1.021 77 V CA -1.006 61.232 62.300 -0.102 0.000 0.848 77 V CB 1.476 33.023 31.823 -0.461 0.000 0.998 77 V HN 0.673 nan 8.190 nan 0.000 0.424 78 I N 1.539 122.226 120.570 0.195 0.000 3.112 78 I HA 0.495 4.664 4.170 -0.003 0.000 0.284 78 I C -0.028 176.265 176.117 0.293 0.000 1.227 78 I CA 0.197 61.618 61.300 0.202 0.000 1.369 78 I CB 0.574 38.694 38.000 0.201 0.000 1.376 78 I HN 0.769 nan 8.210 nan 0.000 0.608 79 E N 1.903 122.216 120.200 0.188 0.000 2.356 79 E HA 0.727 5.075 4.350 -0.003 0.000 0.275 79 E C -0.941 175.626 176.600 -0.055 0.000 0.904 79 E CA -0.793 55.745 56.400 0.231 0.000 0.757 79 E CB 2.273 32.113 29.700 0.233 0.000 1.232 79 E HN 1.035 nan 8.360 nan 0.000 0.442 80 G N 2.353 111.098 108.800 -0.092 0.000 2.600 80 G HA2 0.517 4.475 3.960 -0.003 0.000 0.293 80 G HA3 0.517 4.475 3.960 -0.003 0.000 0.293 80 G C -2.914 171.812 174.900 -0.290 0.000 1.408 80 G CA -0.912 43.953 45.100 -0.392 0.000 0.782 80 G HN 0.418 nan 8.290 nan 0.000 0.482 81 P HA 0.279 nan 4.420 nan 0.000 0.280 81 P C 0.842 178.124 177.300 -0.031 0.000 1.272 81 P CA -0.162 62.903 63.100 -0.059 0.000 0.819 81 P CB 1.387 33.072 31.700 -0.025 0.000 1.122 82 T N 0.418 115.047 114.554 0.125 0.000 2.680 82 T HA -0.220 4.128 4.350 -0.003 0.000 0.268 82 T C 1.438 176.239 174.700 0.168 0.000 1.033 82 T CA 2.162 64.393 62.100 0.219 0.000 1.152 82 T CB -0.582 68.386 68.868 0.166 0.000 0.859 82 T HN 0.519 nan 8.240 nan 0.000 0.452 83 E N 0.772 121.038 120.200 0.111 0.000 2.033 83 E HA -0.129 4.219 4.350 -0.003 0.000 0.199 83 E C 1.711 178.392 176.600 0.136 0.000 1.011 83 E CA 1.167 57.638 56.400 0.118 0.000 0.815 83 E CB -0.702 29.060 29.700 0.103 0.000 0.755 83 E HN 0.528 nan 8.360 nan 0.000 0.451 84 F N 0.078 119.973 119.950 -0.090 0.000 2.154 84 F HA -0.212 4.313 4.527 -0.003 0.000 0.301 84 F C 1.747 177.535 175.800 -0.020 0.000 1.087 84 F CA 1.494 59.418 58.000 -0.127 0.000 1.274 84 F CB -0.263 38.516 39.000 -0.370 0.000 1.009 84 F HN 0.011 nan 8.300 nan 0.000 0.485 85 F N -0.086 119.932 119.950 0.114 0.000 2.234 85 F HA -0.137 4.389 4.527 -0.002 0.000 0.296 85 F C 2.235 178.053 175.800 0.030 0.000 1.089 85 F CA 0.546 58.559 58.000 0.022 0.000 1.343 85 F CB -0.544 38.533 39.000 0.127 0.000 1.040 85 F HN -0.089 nan 8.300 nan 0.000 0.498 86 N N 0.519 119.367 118.700 0.246 0.000 2.244 86 N HA -0.118 4.620 4.740 -0.003 0.000 0.183 86 N C 1.974 177.594 175.510 0.185 0.000 1.016 86 N CA 1.010 54.171 53.050 0.185 0.000 0.866 86 N CB -0.404 38.175 38.487 0.154 0.000 0.980 86 N HN 0.128 nan 8.380 nan 0.000 0.430 87 V N 1.309 121.329 119.914 0.176 0.000 2.270 87 V HA -0.193 3.925 4.120 -0.003 0.000 0.245 87 V C 2.659 178.998 176.094 0.408 0.000 1.043 87 V CA 2.198 64.661 62.300 0.271 0.000 1.014 87 V CB -1.205 30.765 31.823 0.245 0.000 0.645 87 V HN 0.481 nan 8.190 nan 0.000 0.447 88 T N -1.500 113.138 114.554 0.139 0.000 2.833 88 T HA -0.268 4.080 4.350 -0.003 0.000 0.269 88 T C 1.863 176.733 174.700 0.283 0.000 1.054 88 T CA 1.710 63.887 62.100 0.129 0.000 1.135 88 T CB -0.339 68.481 68.868 -0.079 0.000 0.869 88 T HN 0.433 nan 8.240 nan 0.000 0.466 89 K N 0.813 121.345 120.400 0.219 0.000 2.063 89 K HA -0.138 4.180 4.320 -0.003 0.000 0.208 89 K C 2.348 179.074 176.600 0.210 0.000 1.048 89 K CA 1.757 58.145 56.287 0.168 0.000 0.928 89 K CB -0.477 32.098 32.500 0.125 0.000 0.713 89 K HN 0.381 nan 8.250 nan 0.000 0.442 90 T N 0.529 115.225 114.554 0.237 0.000 2.737 90 T HA -0.086 4.262 4.350 -0.003 0.000 0.265 90 T C 1.466 176.228 174.700 0.103 0.000 1.038 90 T CA 1.302 63.498 62.100 0.159 0.000 1.144 90 T CB -0.307 68.667 68.868 0.177 0.000 0.866 90 T HN 0.132 nan 8.240 nan 0.000 0.434 91 F N 1.273 121.309 119.950 0.144 0.000 2.091 91 F HA -0.168 4.357 4.527 -0.003 0.000 0.299 91 F C 2.481 178.312 175.800 0.052 0.000 1.103 91 F CA 1.357 59.446 58.000 0.148 0.000 1.228 91 F CB -0.815 38.322 39.000 0.229 0.000 0.984 91 F HN 0.327 nan 8.300 nan 0.000 0.477 92 H N 0.990 120.201 119.070 0.235 0.000 2.252 92 H HA -0.206 4.348 4.556 -0.003 0.000 0.292 92 H C 1.887 177.230 175.328 0.024 0.000 1.082 92 H CA 2.272 58.400 56.048 0.132 0.000 1.229 92 H CB -0.457 29.373 29.762 0.114 0.000 1.353 92 H HN 0.195 nan 8.280 nan 0.000 0.488 93 N N 0.794 119.577 118.700 0.139 0.000 2.244 93 N HA -0.091 4.647 4.740 -0.003 0.000 0.183 93 N C 2.108 177.509 175.510 -0.182 0.000 1.016 93 N CA 1.010 54.061 53.050 0.001 0.000 0.866 93 N CB -0.482 38.029 38.487 0.040 0.000 0.980 93 N HN 0.435 nan 8.380 nan 0.000 0.430 94 A N 1.968 124.574 122.820 -0.357 0.000 1.858 94 A HA -0.046 4.272 4.320 -0.003 0.000 0.216 94 A C 2.259 179.635 177.584 -0.348 0.000 1.190 94 A CA 0.922 52.563 52.037 -0.660 0.000 0.617 94 A CB -0.888 17.019 19.000 -1.821 0.000 0.827 94 A HN 0.206 nan 8.150 nan 0.000 0.443 95 L N -0.730 120.380 121.223 -0.189 0.000 2.450 95 L HA -0.153 4.185 4.340 -0.003 0.000 0.224 95 L C 1.473 178.258 176.870 -0.141 0.000 1.149 95 L CA 0.750 55.562 54.840 -0.046 0.000 0.816 95 L CB -0.420 41.697 42.059 0.097 0.000 0.932 95 L HN 0.513 nan 8.230 nan 0.000 0.449 96 Q N -0.376 119.310 119.800 -0.190 0.000 2.375 96 Q HA 0.195 4.533 4.340 -0.003 0.000 0.316 96 Q C 1.253 177.163 176.000 -0.151 0.000 0.927 96 Q CA 0.347 56.032 55.803 -0.197 0.000 1.029 96 Q CB 0.624 29.233 28.738 -0.214 0.000 1.202 96 Q HN 0.461 nan 8.270 nan 0.000 0.431 97 G N 1.450 110.166 108.800 -0.141 0.000 2.284 97 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.261 97 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.261 97 G C 0.415 175.255 174.900 -0.101 0.000 0.997 97 G CA 0.195 45.228 45.100 -0.113 0.000 0.621 97 G HN 0.496 nan 8.290 nan 0.000 0.534 98 N N 1.659 120.289 118.700 -0.116 0.000 2.396 98 N HA 0.065 4.803 4.740 -0.003 0.000 0.287 98 N C 1.419 176.867 175.510 -0.103 0.000 1.316 98 N CA 0.502 53.493 53.050 -0.098 0.000 0.972 98 N CB 0.268 38.693 38.487 -0.103 0.000 1.341 98 N HN 0.502 nan 8.380 nan 0.000 0.487 99 E N 1.437 121.601 120.200 -0.059 0.000 2.274 99 E HA -0.049 4.299 4.350 -0.003 0.000 0.194 99 E C 0.899 177.492 176.600 -0.011 0.000 0.996 99 E CA 0.530 56.912 56.400 -0.030 0.000 0.840 99 E CB 0.077 29.767 29.700 -0.015 0.000 0.772 99 E HN 0.492 nan 8.360 nan 0.000 0.491 100 S N 0.624 116.314 115.700 -0.017 0.000 2.555 100 S HA 0.032 4.500 4.470 -0.003 0.000 0.230 100 S C 0.968 175.575 174.600 0.012 0.000 0.978 100 S CA 0.189 58.391 58.200 0.002 0.000 0.934 100 S CB -0.036 63.166 63.200 0.003 0.000 0.766 100 S HN 0.139 nan 8.310 nan 0.000 0.533 101 L N 1.838 123.054 121.223 -0.011 0.000 2.350 101 L HA 0.362 4.700 4.340 -0.003 0.000 0.275 101 L C 0.006 176.991 176.870 0.192 0.000 1.099 101 L CA -0.253 54.600 54.840 0.021 0.000 0.808 101 L CB 0.807 42.766 42.059 -0.167 0.000 1.149 101 L HN -0.060 nan 8.230 nan 0.000 0.442 102 K N 3.851 124.385 120.400 0.223 0.000 2.292 102 K HA 0.511 4.829 4.320 -0.003 0.000 0.257 102 K C -1.087 175.555 176.600 0.070 0.000 0.940 102 K CA -0.598 55.795 56.287 0.177 0.000 0.811 102 K CB 2.591 35.127 32.500 0.060 0.000 1.120 102 K HN 0.437 nan 8.250 nan 0.000 0.428 103 L N 3.557 124.609 121.223 -0.284 0.000 2.255 103 L HA 0.295 4.633 4.340 -0.003 0.000 0.289 103 L C -0.350 176.294 176.870 -0.377 0.000 1.046 103 L CA -0.258 54.159 54.840 -0.705 0.000 0.816 103 L CB 0.930 42.074 42.059 -1.525 0.000 1.197 103 L HN 0.770 nan 8.230 nan 0.000 0.427 104 T N -0.525 113.884 114.554 -0.242 0.000 2.829 104 T HA 0.199 4.547 4.350 -0.003 0.000 0.282 104 T C 0.863 175.469 174.700 -0.156 0.000 0.990 104 T CA -0.665 61.343 62.100 -0.153 0.000 1.028 104 T CB 1.830 70.655 68.868 -0.072 0.000 0.951 104 T HN 0.676 nan 8.240 nan 0.000 0.460 105 E N 1.503 121.620 120.200 -0.138 0.000 2.136 105 E HA -0.214 4.134 4.350 -0.003 0.000 0.202 105 E C 1.014 177.579 176.600 -0.057 0.000 1.019 105 E CA 1.451 57.780 56.400 -0.118 0.000 0.819 105 E CB -0.157 29.498 29.700 -0.074 0.000 0.739 105 E HN 0.806 nan 8.360 nan 0.000 0.458 109 E N 0.902 121.196 120.200 0.157 0.000 2.030 109 E HA -0.083 4.266 4.350 -0.003 0.000 0.189 109 E C 1.582 178.318 176.600 0.225 0.000 0.974 109 E CA 1.126 57.636 56.400 0.185 0.000 0.807 109 E CB 0.013 29.781 29.700 0.114 0.000 0.771 109 E HN 0.143 nan 8.360 nan 0.000 0.451 110 L N 1.193 122.542 121.223 0.210 0.000 2.064 110 L HA -0.280 4.059 4.340 -0.003 0.000 0.216 110 L C 2.260 179.334 176.870 0.339 0.000 1.077 110 L CA 1.897 56.873 54.840 0.228 0.000 0.766 110 L CB -0.851 41.348 42.059 0.234 0.000 0.890 110 L HN 0.207 nan 8.230 nan 0.000 0.435 111 Y N -0.435 120.056 120.300 0.317 0.000 2.114 111 Y HA -0.235 4.313 4.550 -0.003 0.000 0.284 111 Y C 2.279 178.360 175.900 0.301 0.000 1.143 111 Y CA 2.219 60.565 58.100 0.410 0.000 1.135 111 Y CB -0.500 38.131 38.460 0.285 0.000 0.980 111 Y HN 0.221 nan 8.280 nan 0.000 0.499 112 L N 0.256 121.610 121.223 0.218 0.000 2.083 112 L HA -0.238 4.100 4.340 -0.003 0.000 0.209 112 L C 2.292 179.196 176.870 0.057 0.000 1.083 112 L CA 1.217 56.133 54.840 0.127 0.000 0.752 112 L CB -0.666 41.614 42.059 0.368 0.000 0.899 112 L HN 0.317 nan 8.230 nan 0.000 0.433 113 N N -0.046 118.690 118.700 0.060 0.000 2.039 113 N HA -0.143 4.596 4.740 -0.003 0.000 0.193 113 N C 1.907 177.302 175.510 -0.193 0.000 1.044 113 N CA 1.421 54.460 53.050 -0.018 0.000 0.847 113 N CB -0.437 38.060 38.487 0.016 0.000 1.030 113 N HN 0.094 nan 8.380 nan 0.000 0.422 114 V N 1.956 121.715 119.914 -0.257 0.000 2.469 114 V HA -0.222 3.896 4.120 -0.003 0.000 0.251 114 V C 1.740 177.488 176.094 -0.576 0.000 1.064 114 V CA 1.496 63.482 62.300 -0.524 0.000 1.066 114 V CB -0.741 30.440 31.823 -1.069 0.000 0.667 114 V HN 0.284 nan 8.190 nan 0.000 0.461 115 N N -0.177 118.185 118.700 -0.563 0.000 2.188 115 N HA -0.148 4.590 4.740 -0.003 0.000 0.184 115 N C 1.966 176.921 175.510 -0.924 0.000 1.018 115 N CA 1.148 53.815 53.050 -0.639 0.000 0.858 115 N CB -0.294 37.811 38.487 -0.638 0.000 0.989 115 N HN 0.399 nan 8.380 nan 0.000 0.426 116 R N 0.813 120.717 120.500 -0.993 0.000 2.081 116 R HA -0.074 4.264 4.340 -0.003 0.000 0.235 116 R C 1.399 177.434 176.300 -0.442 0.000 1.131 116 R CA 1.118 56.647 56.100 -0.951 0.000 0.960 116 R CB 0.082 30.241 30.300 -0.235 0.000 0.856 116 R HN 0.194 nan 8.270 nan 0.000 0.436 117 E N 0.654 120.660 120.200 -0.323 0.000 2.017 117 E HA -0.180 4.168 4.350 -0.003 0.000 0.193 117 E C 1.737 178.231 176.600 -0.177 0.000 0.997 117 E CA 1.541 57.814 56.400 -0.212 0.000 0.804 117 E CB -0.515 29.059 29.700 -0.211 0.000 0.757 117 E HN 0.396 nan 8.360 nan 0.000 0.448 118 N N 0.608 119.186 118.700 -0.203 0.000 2.289 118 N HA -0.121 4.617 4.740 -0.003 0.000 0.184 118 N C 1.838 177.365 175.510 0.027 0.000 1.016 118 N CA 1.373 54.373 53.050 -0.083 0.000 0.872 118 N CB -0.101 38.337 38.487 -0.083 0.000 0.973 118 N HN 0.139 nan 8.380 nan 0.000 0.433 119 S N 0.449 116.105 115.700 -0.073 0.000 2.357 119 S HA -0.049 4.420 4.470 -0.003 0.000 0.221 119 S C 0.888 175.528 174.600 0.067 0.000 1.031 119 S CA 0.628 58.885 58.200 0.095 0.000 0.982 119 S CB -0.288 62.827 63.200 -0.142 0.000 0.853 119 S HN 0.080 nan 8.310 nan 0.000 0.458 120 K N 1.598 121.985 120.400 -0.023 0.000 1.981 120 K HA 0.258 4.577 4.320 -0.003 0.000 0.220 120 K C -0.604 176.114 176.600 0.198 0.000 1.176 120 K CA -0.038 56.263 56.287 0.023 0.000 1.181 120 K CB -0.405 32.090 32.500 -0.008 0.000 1.218 120 K HN 0.455 nan 8.250 nan 0.000 0.260 121 F N -0.081 119.868 119.950 -0.002 0.000 3.975 121 F HA 0.164 4.689 4.527 -0.003 0.000 0.316 121 F C -0.992 174.845 175.800 0.062 0.000 1.145 121 F CA -0.970 57.045 58.000 0.026 0.000 0.926 121 F CB 0.318 39.333 39.000 0.025 0.000 2.114 121 F HN -0.078 nan 8.300 nan 0.000 0.356 122 I N 3.449 123.770 120.570 -0.415 0.000 2.845 122 I HA -0.016 4.153 4.170 -0.003 0.000 0.290 122 I C -0.082 176.046 176.117 0.018 0.000 1.202 122 I CA 0.704 61.761 61.300 -0.405 0.000 1.406 122 I CB -0.239 37.443 38.000 -0.530 0.000 1.383 122 I HN 0.266 nan 8.210 nan 0.000 0.549 123 D N 7.949 128.369 120.400 0.033 0.000 2.540 123 D HA 0.006 4.644 4.640 -0.003 0.000 0.237 123 D C 1.149 177.579 176.300 0.218 0.000 1.181 123 D CA 0.172 54.309 54.000 0.227 0.000 1.119 123 D CB 0.257 41.081 40.800 0.040 0.000 1.119 123 D HN 0.467 nan 8.370 nan 0.000 0.498 124 L N 1.696 123.028 121.223 0.181 0.000 2.261 124 L HA -0.206 4.132 4.340 -0.003 0.000 0.216 124 L C 2.412 179.436 176.870 0.258 0.000 1.114 124 L CA 1.197 56.082 54.840 0.075 0.000 0.777 124 L CB -0.554 41.236 42.059 -0.449 0.000 0.910 124 L HN 0.319 nan 8.230 nan 0.000 0.440 125 S N -1.204 114.677 115.700 0.301 0.000 2.481 125 S HA -0.107 4.361 4.470 -0.003 0.000 0.231 125 S C 2.102 176.829 174.600 0.211 0.000 0.996 125 S CA 0.698 59.132 58.200 0.389 0.000 0.942 125 S CB -0.261 63.166 63.200 0.378 0.000 0.768 125 S HN 0.548 nan 8.310 nan 0.000 0.520 126 S N 1.062 116.790 115.700 0.047 0.000 2.387 126 S HA 0.148 4.616 4.470 -0.003 0.000 0.226 126 S C 0.502 175.013 174.600 -0.149 0.000 1.026 126 S CA -0.304 57.813 58.200 -0.138 0.000 0.972 126 S CB -1.044 61.951 63.200 -0.341 0.000 0.814 126 S HN 0.441 nan 8.310 nan 0.000 0.477 127 F N 3.356 123.322 119.950 0.027 0.000 2.589 127 F HA 0.163 4.688 4.527 -0.003 0.000 0.352 127 F C 1.689 177.494 175.800 0.009 0.000 1.168 127 F CA -0.215 57.798 58.000 0.022 0.000 1.353 127 F CB 0.262 39.265 39.000 0.004 0.000 1.116 127 F HN 0.034 nan 8.300 nan 0.000 0.608 128 D N 0.364 120.908 120.400 0.240 0.000 2.144 128 D HA -0.173 4.466 4.640 -0.003 0.000 0.199 128 D C -0.314 175.952 176.300 -0.056 0.000 0.984 128 D CA 1.829 55.914 54.000 0.142 0.000 0.834 128 D CB -0.020 40.979 40.800 0.331 0.000 0.955 128 D HN 0.320 nan 8.370 nan 0.000 0.465 129 Y N -0.734 119.502 120.300 -0.107 0.000 2.457 129 Y HA 0.389 4.938 4.550 -0.002 0.000 0.343 129 Y C -0.295 175.320 175.900 -0.475 0.000 0.994 129 Y CA -0.924 56.989 58.100 -0.312 0.000 1.031 129 Y CB 2.176 40.332 38.460 -0.506 0.000 1.246 129 Y HN -0.409 nan 8.280 nan 0.000 0.449 130 V N 4.689 124.307 119.914 -0.494 0.000 2.604 130 V HA 0.539 4.657 4.120 -0.003 0.000 0.305 130 V C -0.940 174.800 176.094 -0.589 0.000 1.043 130 V CA -0.919 60.912 62.300 -0.782 0.000 0.888 130 V CB 2.308 33.088 31.823 -1.739 0.000 0.995 130 V HN 0.679 nan 8.190 nan 0.000 0.429 131 L N 5.062 126.000 121.223 -0.476 0.000 2.439 131 L HA 0.707 5.046 4.340 -0.003 0.000 0.270 131 L C -1.311 175.521 176.870 -0.063 0.000 0.972 131 L CA -0.436 54.247 54.840 -0.261 0.000 0.836 131 L CB 1.912 43.757 42.059 -0.357 0.000 1.255 131 L HN 0.480 nan 8.230 nan 0.000 0.404 132 V N 3.148 123.094 119.914 0.054 0.000 2.435 132 V HA 0.353 4.471 4.120 -0.003 0.000 0.290 132 V C -0.711 175.404 176.094 0.036 0.000 1.030 132 V CA -0.626 61.794 62.300 0.200 0.000 0.881 132 V CB 1.486 33.559 31.823 0.418 0.000 0.983 132 V HN 0.628 nan 8.190 nan 0.000 0.445 133 H N 3.862 123.006 119.070 0.123 0.000 2.640 133 H HA 0.491 5.045 4.556 -0.003 0.000 0.297 133 H C 0.101 175.485 175.328 0.093 0.000 1.073 133 H CA 0.228 56.314 56.048 0.064 0.000 1.305 133 H CB 0.298 30.145 29.762 0.142 0.000 1.404 133 H HN 0.816 nan 8.280 nan 0.000 0.459 134 D N 1.783 122.141 120.400 -0.069 0.000 4.658 134 D HA -0.180 4.458 4.640 -0.003 0.000 0.304 134 D C -1.649 174.989 176.300 0.564 0.000 2.363 134 D CA -0.017 54.053 54.000 0.118 0.000 1.179 134 D CB -0.886 40.065 40.800 0.252 0.000 1.091 134 D HN 0.348 nan 8.370 nan 0.000 1.274 135 P HA -0.114 nan 4.420 nan 0.000 0.213 135 P C 1.312 178.871 177.300 0.431 0.000 1.170 135 P CA 2.284 65.675 63.100 0.486 0.000 0.893 135 P CB 0.080 31.977 31.700 0.330 0.000 0.784 136 Q N -0.073 119.953 119.800 0.377 0.000 2.124 136 Q HA -0.189 4.149 4.340 -0.003 0.000 0.215 136 Q C -0.700 175.645 176.000 0.575 0.000 1.015 136 Q CA 2.637 58.727 55.803 0.479 0.000 0.890 136 Q CB -2.531 26.489 28.738 0.469 0.000 0.966 136 Q HN 0.439 nan 8.270 nan 0.000 0.412 137 P HA 0.326 nan 4.420 nan 0.000 0.276 137 P C -0.245 177.262 177.300 0.346 0.000 1.585 137 P CA 0.497 63.795 63.100 0.330 0.000 1.162 137 P CB 0.710 32.605 31.700 0.324 0.000 1.556 138 A N 1.448 124.505 122.820 0.395 0.000 1.902 138 A HA -0.033 4.285 4.320 -0.003 0.000 0.217 138 A C 2.275 179.988 177.584 0.214 0.000 1.181 138 A CA 1.848 54.079 52.037 0.324 0.000 0.623 138 A CB -1.397 17.714 19.000 0.185 0.000 0.818 138 A HN 0.249 nan 8.150 nan 0.000 0.443 139 A N -0.364 122.382 122.820 -0.124 0.000 2.225 139 A HA 0.069 4.388 4.320 -0.003 0.000 0.215 139 A C 1.944 179.555 177.584 0.044 0.000 1.164 139 A CA 1.075 52.811 52.037 -0.502 0.000 0.710 139 A CB -0.657 17.795 19.000 -0.914 0.000 0.780 139 A HN 0.514 nan 8.150 nan 0.000 0.473 140 L N -0.824 120.522 121.223 0.205 0.000 2.127 140 L HA -0.145 4.193 4.340 -0.003 0.000 0.211 140 L C 2.278 179.399 176.870 0.419 0.000 1.089 140 L CA 1.242 56.309 54.840 0.378 0.000 0.757 140 L CB -0.482 41.799 42.059 0.370 0.000 0.899 140 L HN 0.496 nan 8.230 nan 0.000 0.434 141 I N -0.051 120.650 120.570 0.218 0.000 3.164 141 I HA -0.236 3.933 4.170 -0.003 0.000 0.278 141 I C 2.125 178.086 176.117 -0.261 0.000 1.320 141 I CA 0.705 61.725 61.300 -0.467 0.000 1.422 141 I CB 0.158 37.729 38.000 -0.716 0.000 1.066 141 I HN 0.295 nan 8.210 nan 0.000 0.503 142 E N 0.657 120.885 120.200 0.047 0.000 2.127 142 E HA -0.062 4.286 4.350 -0.003 0.000 0.191 142 E C 1.216 177.727 176.600 -0.149 0.000 0.964 142 E CA 1.027 57.381 56.400 -0.076 0.000 0.832 142 E CB -0.151 29.472 29.700 -0.127 0.000 0.790 142 E HN 0.441 nan 8.360 nan 0.000 0.465 143 F N 0.133 120.115 119.950 0.055 0.000 2.695 143 F HA 0.229 4.755 4.527 -0.003 0.000 0.301 143 F C -0.475 175.185 175.800 -0.233 0.000 1.182 143 F CA 0.178 58.145 58.000 -0.056 0.000 1.412 143 F CB -0.337 38.610 39.000 -0.089 0.000 1.056 143 F HN -0.088 nan 8.300 nan 0.000 0.522 144 Y N -0.919 119.376 120.300 -0.009 0.000 2.597 144 Y HA 0.403 4.951 4.550 -0.002 0.000 0.340 144 Y C -0.309 175.488 175.900 -0.172 0.000 1.097 144 Y CA -2.192 55.880 58.100 -0.046 0.000 1.037 144 Y CB 1.093 39.569 38.460 0.027 0.000 1.305 144 Y HN -0.162 nan 8.280 nan 0.000 0.463 145 E N 1.497 121.713 120.200 0.027 0.000 2.081 145 E HA 0.224 4.572 4.350 -0.003 0.000 0.281 145 E C -0.952 175.589 176.600 -0.099 0.000 0.986 145 E CA -0.760 55.597 56.400 -0.071 0.000 0.796 145 E CB 1.121 30.791 29.700 -0.051 0.000 1.085 145 E HN 0.460 nan 8.360 nan 0.000 0.398 146 K N 2.533 122.799 120.400 -0.224 0.000 2.453 146 K HA -0.034 4.284 4.320 -0.003 0.000 0.280 146 K C 0.565 177.101 176.600 -0.107 0.000 1.045 146 K CA 0.586 56.723 56.287 -0.250 0.000 1.059 146 K CB 0.626 32.910 32.500 -0.361 0.000 0.901 146 K HN 0.446 nan 8.250 nan 0.000 0.475 147 K N 0.455 120.837 120.400 -0.031 0.000 2.485 147 K HA 0.023 4.341 4.320 -0.003 0.000 0.200 147 K C 0.446 177.039 176.600 -0.013 0.000 1.352 147 K CA 0.008 56.285 56.287 -0.017 0.000 0.953 147 K CB 0.667 33.172 32.500 0.007 0.000 1.387 147 K HN 0.540 nan 8.250 nan 0.000 0.512 148 S N 1.666 117.396 115.700 0.051 0.000 2.690 148 S HA 0.497 4.965 4.470 -0.003 0.000 0.291 148 S C -2.838 171.812 174.600 0.085 0.000 1.138 148 S CA -1.719 56.483 58.200 0.004 0.000 1.013 148 S CB 1.601 64.812 63.200 0.019 0.000 1.053 148 S HN -0.214 nan 8.310 nan 0.000 0.539 149 P HA 0.276 nan 4.420 nan 0.000 0.271 149 P C -1.385 176.038 177.300 0.205 0.000 1.218 149 P CA -0.153 62.943 63.100 -0.006 0.000 0.780 149 P CB 0.252 31.833 31.700 -0.199 0.000 0.901 150 W N 2.683 123.927 121.300 -0.094 0.000 2.600 150 W HA 0.382 5.040 4.660 -0.003 0.000 0.325 150 W C -1.259 175.406 176.519 0.243 0.000 1.034 150 W CA -0.213 57.142 57.345 0.016 0.000 1.226 150 W CB 1.010 30.359 29.460 -0.186 0.000 1.379 150 W HN 0.065 nan 8.180 nan 0.000 0.466 151 L N 2.645 124.075 121.223 0.345 0.000 2.329 151 L HA 0.424 4.762 4.340 -0.003 0.000 0.279 151 L C -0.787 176.233 176.870 0.250 0.000 1.014 151 L CA -1.146 53.847 54.840 0.255 0.000 0.814 151 L CB 0.969 43.037 42.059 0.015 0.000 1.257 151 L HN 0.525 nan 8.230 nan 0.000 0.424 152 W N 4.036 125.281 121.300 -0.092 0.000 2.417 152 W HA 0.556 5.215 4.660 -0.002 0.000 0.315 152 W C -0.016 176.344 176.519 -0.265 0.000 1.045 152 W CA -0.816 56.337 57.345 -0.320 0.000 1.221 152 W CB 1.171 30.337 29.460 -0.490 0.000 1.309 152 W HN 0.454 nan 8.180 nan 0.000 0.453 153 R N 5.759 125.784 120.500 -0.791 0.000 2.229 153 R HA 0.465 4.803 4.340 -0.003 0.000 0.332 153 R C -1.223 174.237 176.300 -1.399 0.000 0.989 153 R CA -0.385 55.176 56.100 -0.900 0.000 0.842 153 R CB 0.430 30.278 30.300 -0.752 0.000 1.119 153 R HN 0.528 nan 8.270 nan 0.000 0.456 154 C N 4.542 122.951 119.300 -1.485 0.000 2.355 154 C HA 0.498 4.957 4.460 -0.003 0.000 0.332 154 C C 0.412 174.707 174.990 -1.158 0.000 1.255 154 C CA -0.380 57.782 59.018 -1.426 0.000 1.792 154 C CB 0.393 27.262 27.740 -1.451 0.000 2.300 154 C HN 1.047 nan 8.230 nan 0.000 0.515 155 H N 3.626 122.398 119.070 -0.496 0.000 3.058 155 H HA 0.279 4.834 4.556 -0.003 0.000 0.258 155 H C 0.852 176.098 175.328 -0.137 0.000 1.015 155 H CA 0.245 56.057 56.048 -0.394 0.000 1.210 155 H CB 0.103 29.851 29.762 -0.023 0.000 1.481 155 H HN 0.731 nan 8.280 nan 0.000 0.492 156 I N -1.298 119.242 120.570 -0.050 0.000 3.640 156 I HA 0.359 4.527 4.170 -0.003 0.000 0.288 156 I C -0.388 175.569 176.117 -0.266 0.000 1.248 156 I CA -0.967 60.279 61.300 -0.090 0.000 0.911 156 I CB 1.072 38.964 38.000 -0.180 0.000 1.533 156 I HN -0.139 nan 8.210 nan 0.000 0.686 157 D N 1.292 121.365 120.400 -0.544 0.000 2.344 157 D HA 0.406 5.044 4.640 -0.003 0.000 0.239 157 D C -0.749 175.285 176.300 -0.444 0.000 1.064 157 D CA -0.401 53.040 54.000 -0.933 0.000 0.829 157 D CB 1.153 41.050 40.800 -1.505 0.000 1.129 157 D HN 0.574 nan 8.370 nan 0.000 0.506 158 L N 3.831 124.886 121.223 -0.280 0.000 3.047 158 L HA 0.199 4.537 4.340 -0.003 0.000 0.242 158 L C 1.182 177.853 176.870 -0.331 0.000 1.315 158 L CA -0.248 54.423 54.840 -0.282 0.000 1.042 158 L CB 0.223 42.125 42.059 -0.260 0.000 1.420 158 L HN 0.455 nan 8.230 nan 0.000 0.517 159 S N -2.537 112.998 115.700 -0.275 0.000 2.503 159 S HA 0.050 4.518 4.470 -0.003 0.000 0.215 159 S C 0.892 175.373 174.600 -0.199 0.000 1.003 159 S CA -0.012 58.057 58.200 -0.218 0.000 0.910 159 S CB 0.471 63.586 63.200 -0.141 0.000 0.790 159 S HN 0.291 nan 8.310 nan 0.000 0.514 160 S N 2.737 118.315 115.700 -0.203 0.000 2.777 160 S HA 0.370 4.839 4.470 -0.003 0.000 0.140 160 S C -3.138 171.377 174.600 -0.143 0.000 1.233 160 S CA -0.872 57.235 58.200 -0.155 0.000 1.157 160 S CB 0.844 63.973 63.200 -0.118 0.000 1.600 160 S HN 0.325 nan 8.310 nan 0.000 0.432 161 P HA 0.267 nan 4.420 nan 0.000 0.281 161 P C -0.515 176.789 177.300 0.006 0.000 1.249 161 P CA -0.549 62.502 63.100 -0.083 0.000 0.810 161 P CB 0.474 32.127 31.700 -0.078 0.000 1.008 162 N N 1.345 120.046 118.700 0.001 0.000 2.418 162 N HA -0.088 4.650 4.740 -0.003 0.000 0.277 162 N C 1.655 177.290 175.510 0.208 0.000 1.317 162 N CA -0.182 52.899 53.050 0.051 0.000 0.922 162 N CB 0.249 38.690 38.487 -0.077 0.000 1.194 162 N HN 0.322 nan 8.380 nan 0.000 0.485 163 R N 3.416 124.019 120.500 0.172 0.000 2.133 163 R HA -0.314 4.024 4.340 -0.003 0.000 0.245 163 R C 1.600 178.033 176.300 0.221 0.000 1.137 163 R CA 2.499 58.722 56.100 0.206 0.000 0.947 163 R CB -0.287 30.090 30.300 0.128 0.000 0.865 163 R HN 0.857 nan 8.270 nan 0.000 0.437 164 E N -0.927 119.384 120.200 0.185 0.000 2.267 164 E HA -0.211 4.137 4.350 -0.003 0.000 0.197 164 E C 1.597 178.241 176.600 0.074 0.000 0.998 164 E CA 1.194 57.648 56.400 0.090 0.000 0.830 164 E CB -0.303 29.404 29.700 0.012 0.000 0.751 164 E HN 0.412 nan 8.360 nan 0.000 0.491 165 F N 0.326 120.308 119.950 0.053 0.000 2.220 165 F HA 0.060 4.586 4.527 -0.003 0.000 0.290 165 F C 2.339 178.280 175.800 0.235 0.000 1.080 165 F CA 0.780 58.828 58.000 0.080 0.000 1.318 165 F CB -0.676 38.315 39.000 -0.015 0.000 1.063 165 F HN 0.123 nan 8.300 nan 0.000 0.498 166 W N 1.947 123.402 121.300 0.259 0.000 2.338 166 W HA -0.217 4.442 4.660 -0.002 0.000 0.304 166 W C 1.666 178.237 176.519 0.088 0.000 1.212 166 W CA 1.925 59.361 57.345 0.152 0.000 1.264 166 W CB -0.237 29.274 29.460 0.085 0.000 1.142 166 W HN 0.144 nan 8.180 nan 0.000 0.512 167 E N -0.366 119.772 120.200 -0.105 0.000 2.209 167 E HA -0.256 4.092 4.350 -0.003 0.000 0.196 167 E C 1.877 178.319 176.600 -0.264 0.000 0.993 167 E CA 1.494 57.737 56.400 -0.261 0.000 0.819 167 E CB -0.631 29.038 29.700 -0.052 0.000 0.745 167 E HN 0.275 nan 8.360 nan 0.000 0.477 168 F N 1.009 120.805 119.950 -0.258 0.000 2.187 168 F HA -0.043 4.483 4.527 -0.003 0.000 0.295 168 F C 1.969 177.568 175.800 -0.334 0.000 1.091 168 F CA 0.623 58.488 58.000 -0.225 0.000 1.308 168 F CB -0.226 38.741 39.000 -0.055 0.000 1.030 168 F HN -0.069 nan 8.300 nan 0.000 0.487 169 L N 1.587 122.567 121.223 -0.404 0.000 2.027 169 L HA -0.118 4.220 4.340 -0.003 0.000 0.206 169 L C 2.745 179.138 176.870 -0.795 0.000 1.074 169 L CA 2.114 56.699 54.840 -0.426 0.000 0.745 169 L CB -0.851 41.158 42.059 -0.082 0.000 0.898 169 L HN 0.259 nan 8.230 nan 0.000 0.433 170 R N -0.637 119.097 120.500 -1.276 0.000 2.226 170 R HA -0.251 4.087 4.340 -0.003 0.000 0.246 170 R C 2.247 178.128 176.300 -0.698 0.000 1.161 170 R CA 1.836 57.242 56.100 -1.157 0.000 0.997 170 R CB -0.877 28.643 30.300 -1.299 0.000 0.870 170 R HN 0.302 nan 8.270 nan 0.000 0.465 171 R N -0.224 119.777 120.500 -0.831 0.000 2.127 171 R HA -0.119 4.219 4.340 -0.003 0.000 0.238 171 R C 0.978 176.888 176.300 -0.650 0.000 1.134 171 R CA 1.788 57.427 56.100 -0.769 0.000 0.975 171 R CB -0.078 29.612 30.300 -1.016 0.000 0.865 171 R HN 0.322 nan 8.270 nan 0.000 0.447 172 F N -1.664 118.124 119.950 -0.270 0.000 2.243 172 F HA 0.039 4.564 4.527 -0.003 0.000 0.287 172 F C 2.188 177.980 175.800 -0.012 0.000 1.067 172 F CA 0.107 58.035 58.000 -0.120 0.000 1.304 172 F CB -0.933 38.014 39.000 -0.089 0.000 1.087 172 F HN -0.273 nan 8.300 nan 0.000 0.513 173 V N 0.729 120.597 119.914 -0.076 0.000 2.332 173 V HA -0.290 3.828 4.120 -0.003 0.000 0.248 173 V C 2.046 178.244 176.094 0.173 0.000 1.055 173 V CA 2.050 64.238 62.300 -0.188 0.000 1.038 173 V CB -0.728 30.710 31.823 -0.641 0.000 0.651 173 V HN 0.358 nan 8.190 nan 0.000 0.450 174 E N -0.347 119.861 120.200 0.013 0.000 2.331 174 E HA -0.246 4.102 4.350 -0.003 0.000 0.199 174 E C 2.141 178.893 176.600 0.253 0.000 1.008 174 E CA 0.934 57.416 56.400 0.138 0.000 0.843 174 E CB -0.103 29.588 29.700 -0.016 0.000 0.761 174 E HN 0.636 nan 8.360 nan 0.000 0.507 175 K N 0.012 120.543 120.400 0.219 0.000 2.044 175 K HA -0.030 4.289 4.320 -0.003 0.000 0.204 175 K C 0.335 177.017 176.600 0.136 0.000 1.045 175 K CA 0.307 56.651 56.287 0.094 0.000 0.951 175 K CB -0.175 32.284 32.500 -0.068 0.000 0.738 175 K HN 0.020 nan 8.250 nan 0.000 0.443 176 Y N 2.727 123.130 120.300 0.173 0.000 2.986 176 Y HA -0.170 4.378 4.550 -0.003 0.000 0.342 176 Y C 1.077 176.991 175.900 0.024 0.000 1.275 176 Y CA 0.404 58.615 58.100 0.186 0.000 1.527 176 Y CB 0.028 38.681 38.460 0.322 0.000 1.296 176 Y HN 0.176 nan 8.280 nan 0.000 0.628 177 D N 0.683 121.164 120.400 0.135 0.000 2.219 177 D HA -0.071 4.567 4.640 -0.003 0.000 0.205 177 D C 0.270 176.482 176.300 -0.147 0.000 0.970 177 D CA 1.378 55.371 54.000 -0.011 0.000 0.851 177 D CB 0.184 40.993 40.800 0.015 0.000 0.943 177 D HN 0.226 nan 8.370 nan 0.000 0.488 178 R N -0.478 119.945 120.500 -0.128 0.000 2.698 178 R HA 0.360 4.699 4.340 -0.003 0.000 0.275 178 R C -1.499 174.728 176.300 -0.122 0.000 1.001 178 R CA -0.720 55.245 56.100 -0.225 0.000 0.896 178 R CB 1.080 31.362 30.300 -0.030 0.000 1.218 178 R HN 0.090 nan 8.270 nan 0.000 0.462 179 Y N 2.060 122.506 120.300 0.242 0.000 2.331 179 Y HA 0.572 5.121 4.550 -0.003 0.000 0.334 179 Y C 0.514 176.479 175.900 0.107 0.000 0.960 179 Y CA -0.908 57.340 58.100 0.246 0.000 1.130 179 Y CB 1.806 40.567 38.460 0.503 0.000 1.164 179 Y HN 0.283 nan 8.280 nan 0.000 0.458 180 I N 4.529 125.055 120.570 -0.073 0.000 2.362 180 I HA 0.387 4.555 4.170 -0.003 0.000 0.289 180 I C -1.044 174.770 176.117 -0.505 0.000 0.994 180 I CA -0.491 60.725 61.300 -0.140 0.000 1.158 180 I CB 0.852 38.784 38.000 -0.115 0.000 1.315 180 I HN 0.415 nan 8.210 nan 0.000 0.451 181 F N 3.518 123.418 119.950 -0.083 0.000 2.538 181 F HA 0.421 4.946 4.527 -0.003 0.000 0.325 181 F C 1.389 177.129 175.800 -0.100 0.000 1.066 181 F CA -0.637 57.284 58.000 -0.132 0.000 0.946 181 F CB 0.905 39.890 39.000 -0.024 0.000 1.199 181 F HN 0.378 nan 8.300 nan 0.000 0.473 182 H N 1.420 120.509 119.070 0.032 0.000 2.321 182 H HA 0.028 4.583 4.556 -0.002 0.000 0.300 182 H C -0.104 175.090 175.328 -0.223 0.000 1.087 182 H CA 1.571 57.521 56.048 -0.162 0.000 1.319 182 H CB -0.173 29.478 29.762 -0.185 0.000 1.379 182 H HN 0.305 nan 8.280 nan 0.000 0.501 183 L N -5.052 116.117 121.223 -0.090 0.000 2.479 183 L HA 0.398 4.737 4.340 -0.003 0.000 0.255 183 L C -2.268 174.536 176.870 -0.110 0.000 1.026 183 L CA -2.168 52.560 54.840 -0.187 0.000 0.842 183 L CB 0.860 42.744 42.059 -0.291 0.000 1.444 183 L HN -0.334 nan 8.230 nan 0.000 0.409 184 P HA -0.194 nan 4.420 nan 0.000 0.215 184 P C 0.754 178.014 177.300 -0.066 0.000 1.157 184 P CA 1.937 64.977 63.100 -0.101 0.000 0.874 184 P CB 0.051 31.690 31.700 -0.101 0.000 0.790 185 E N -2.396 117.790 120.200 -0.023 0.000 2.482 185 E HA -0.162 4.186 4.350 -0.003 0.000 0.200 185 E C 0.477 177.243 176.600 0.277 0.000 1.147 185 E CA 0.645 57.085 56.400 0.067 0.000 0.912 185 E CB -0.601 29.142 29.700 0.073 0.000 0.938 185 E HN 0.303 nan 8.360 nan 0.000 0.519 186 Y N -0.178 120.049 120.300 -0.123 0.000 2.423 186 Y HA 0.202 4.751 4.550 -0.002 0.000 0.257 186 Y C 0.750 176.451 175.900 -0.333 0.000 1.087 186 Y CA -0.939 57.100 58.100 -0.102 0.000 1.258 186 Y CB 0.683 39.179 38.460 0.060 0.000 1.237 186 Y HN -0.115 nan 8.280 nan 0.000 0.517 187 V N 1.846 121.457 119.914 -0.505 0.000 2.999 187 V HA -0.024 4.095 4.120 -0.003 0.000 0.307 187 V C 0.441 176.100 176.094 -0.725 0.000 1.084 187 V CA -0.388 61.165 62.300 -1.245 0.000 1.155 187 V CB 0.763 32.090 31.823 -0.827 0.000 0.975 187 V HN 0.100 nan 8.190 nan 0.000 0.490 188 Q N 7.380 126.746 119.800 -0.722 0.000 2.361 188 Q HA 0.212 4.550 4.340 -0.003 0.000 0.250 188 Q C -1.373 174.453 176.000 -0.291 0.000 1.023 188 Q CA -1.755 53.768 55.803 -0.466 0.000 0.915 188 Q CB 1.099 29.539 28.738 -0.495 0.000 1.238 188 Q HN 0.454 nan 8.270 nan 0.000 0.451 189 P HA -0.265 nan 4.420 nan 0.000 0.217 189 P C 0.030 177.295 177.300 -0.059 0.000 1.148 189 P CA 1.554 64.577 63.100 -0.130 0.000 0.834 189 P CB 0.401 32.033 31.700 -0.113 0.000 0.783 190 E N 0.220 120.400 120.200 -0.034 0.000 2.038 190 E HA -0.104 4.244 4.350 -0.003 0.000 0.195 190 E C 1.225 177.866 176.600 0.067 0.000 1.000 190 E CA 0.359 56.791 56.400 0.052 0.000 0.803 190 E CB -0.574 29.224 29.700 0.163 0.000 0.750 190 E HN 0.285 nan 8.360 nan 0.000 0.448 191 L N 2.042 123.306 121.223 0.068 0.000 2.503 191 L HA -0.075 4.263 4.340 -0.003 0.000 0.287 191 L C 0.517 177.468 176.870 0.135 0.000 1.252 191 L CA -0.211 54.686 54.840 0.094 0.000 0.835 191 L CB -0.117 41.939 42.059 -0.005 0.000 1.099 191 L HN 0.075 nan 8.230 nan 0.000 0.516 192 D N 0.545 121.083 120.400 0.231 0.000 2.346 192 D HA 0.049 4.687 4.640 -0.003 0.000 0.260 192 D C 1.007 177.418 176.300 0.184 0.000 1.252 192 D CA -0.053 54.059 54.000 0.187 0.000 0.895 192 D CB 0.664 41.576 40.800 0.186 0.000 1.097 192 D HN 0.283 nan 8.370 nan 0.000 0.489 193 R N 2.950 123.514 120.500 0.107 0.000 2.417 193 R HA -0.165 4.173 4.340 -0.003 0.000 0.220 193 R C 1.052 177.405 176.300 0.088 0.000 1.128 193 R CA 0.745 56.894 56.100 0.081 0.000 1.048 193 R CB -0.210 30.113 30.300 0.038 0.000 0.835 193 R HN 0.430 nan 8.270 nan 0.000 0.483 194 N N 0.908 119.665 118.700 0.096 0.000 2.432 194 N HA -0.030 4.708 4.740 -0.003 0.000 0.174 194 N C 0.785 176.334 175.510 0.066 0.000 1.037 194 N CA 0.780 53.873 53.050 0.071 0.000 0.892 194 N CB 0.417 38.937 38.487 0.055 0.000 1.049 194 N HN 0.002 nan 8.380 nan 0.000 0.442 195 K N -0.253 120.197 120.400 0.083 0.000 2.417 195 K HA 0.345 4.663 4.320 -0.003 0.000 0.196 195 K C -0.404 176.189 176.600 -0.012 0.000 1.023 195 K CA -0.176 56.093 56.287 -0.030 0.000 1.122 195 K CB 0.786 33.203 32.500 -0.138 0.000 0.850 195 K HN 0.139 nan 8.250 nan 0.000 0.521 196 A N 1.160 124.099 122.820 0.199 0.000 2.305 196 A HA 0.558 4.876 4.320 -0.003 0.000 0.322 196 A C -0.456 177.257 177.584 0.215 0.000 1.187 196 A CA -0.537 51.705 52.037 0.341 0.000 0.825 196 A CB 0.931 20.161 19.000 0.383 0.000 1.164 196 A HN -0.029 nan 8.150 nan 0.000 0.498 197 V N 3.673 123.732 119.914 0.242 0.000 2.735 197 V HA 0.454 4.572 4.120 -0.003 0.000 0.310 197 V C -0.311 175.882 176.094 0.165 0.000 1.061 197 V CA -0.672 61.719 62.300 0.152 0.000 0.913 197 V CB 1.580 33.466 31.823 0.104 0.000 1.005 197 V HN 0.779 nan 8.190 nan 0.000 0.428 201 P HA 0.280 nan 4.420 nan 0.000 0.274 201 P C -0.162 176.880 177.300 -0.430 0.000 1.237 201 P CA 0.062 62.813 63.100 -0.583 0.000 0.793 201 P CB 1.047 32.384 31.700 -0.605 0.000 0.977 202 S N 0.693 116.131 115.700 -0.436 0.000 2.751 202 S HA 0.807 5.276 4.470 -0.003 0.000 0.310 202 S C 0.115 174.602 174.600 -0.187 0.000 1.128 202 S CA -0.881 57.182 58.200 -0.230 0.000 0.931 202 S CB 0.884 63.928 63.200 -0.260 0.000 1.177 202 S HN 0.518 nan 8.310 nan 0.000 0.530 203 I N -1.453 119.032 120.570 -0.142 0.000 2.646 203 I HA 0.678 4.846 4.170 -0.003 0.000 0.299 203 I C -1.464 174.534 176.117 -0.199 0.000 1.036 203 I CA -0.744 60.465 61.300 -0.152 0.000 1.074 203 I CB 1.899 39.814 38.000 -0.141 0.000 1.258 203 I HN 0.538 nan 8.210 nan 0.000 0.430 204 D N 5.929 126.240 120.400 -0.149 0.000 2.412 204 D HA 0.408 5.047 4.640 -0.003 0.000 0.224 204 D C -1.898 174.348 176.300 -0.090 0.000 1.093 204 D CA -2.500 51.445 54.000 -0.092 0.000 0.850 204 D CB 1.811 42.600 40.800 -0.017 0.000 1.046 204 D HN 0.277 nan 8.370 nan 0.000 0.507 205 P HA -0.108 nan 4.420 nan 0.000 0.219 205 P C 0.843 178.167 177.300 0.040 0.000 1.144 205 P CA 1.049 64.045 63.100 -0.172 0.000 0.806 205 P CB 0.194 31.778 31.700 -0.194 0.000 0.771 206 L N -2.199 119.046 121.223 0.036 0.000 2.640 206 L HA 0.158 4.496 4.340 -0.003 0.000 0.230 206 L C 1.201 178.076 176.870 0.008 0.000 1.123 206 L CA -0.186 54.646 54.840 -0.013 0.000 0.900 206 L CB -0.324 41.652 42.059 -0.138 0.000 1.146 206 L HN -0.018 nan 8.230 nan 0.000 0.484 207 S N -1.234 114.480 115.700 0.023 0.000 2.645 207 S HA 0.129 4.597 4.470 -0.003 0.000 0.266 207 S C 1.140 175.757 174.600 0.028 0.000 1.258 207 S CA -0.602 57.612 58.200 0.022 0.000 0.990 207 S CB 1.369 64.578 63.200 0.015 0.000 0.967 207 S HN 0.087 nan 8.310 nan 0.000 0.556 208 E N 0.647 120.864 120.200 0.028 0.000 2.118 208 E HA -0.174 4.174 4.350 -0.003 0.000 0.195 208 E C 1.746 178.367 176.600 0.035 0.000 0.992 208 E CA 1.373 57.791 56.400 0.030 0.000 0.804 208 E CB -0.267 29.452 29.700 0.033 0.000 0.741 208 E HN 0.724 nan 8.360 nan 0.000 0.458 209 K N 0.619 121.041 120.400 0.037 0.000 2.155 209 K HA -0.037 4.282 4.320 -0.003 0.000 0.203 209 K C 1.450 178.090 176.600 0.067 0.000 1.052 209 K CA 1.102 57.414 56.287 0.042 0.000 0.948 209 K CB 0.210 32.731 32.500 0.036 0.000 0.728 209 K HN 0.017 nan 8.250 nan 0.000 0.448 210 N N -0.469 118.279 118.700 0.079 0.000 2.348 210 N HA -0.013 4.725 4.740 -0.003 0.000 0.183 210 N C -0.097 175.535 175.510 0.204 0.000 1.094 210 N CA 0.048 53.192 53.050 0.157 0.000 0.885 210 N CB 0.248 38.788 38.487 0.087 0.000 1.065 210 N HN 0.008 nan 8.380 nan 0.000 0.472 211 V N 2.199 122.186 119.914 0.122 0.000 2.999 211 V HA -0.052 4.066 4.120 -0.003 0.000 0.307 211 V C 0.507 176.660 176.094 0.098 0.000 1.084 211 V CA -0.177 62.192 62.300 0.114 0.000 1.155 211 V CB 0.782 32.637 31.823 0.053 0.000 0.975 211 V HN 0.211 nan 8.190 nan 0.000 0.490 212 E N 5.494 125.745 120.200 0.084 0.000 2.129 212 E HA 0.306 4.654 4.350 -0.003 0.000 0.283 212 E C -0.500 176.113 176.600 0.020 0.000 1.080 212 E CA -0.452 55.974 56.400 0.042 0.000 0.867 212 E CB 0.564 30.277 29.700 0.021 0.000 1.056 212 E HN 0.664 nan 8.360 nan 0.000 0.404 213 L N 3.572 124.802 121.223 0.011 0.000 2.475 213 L HA 0.283 4.621 4.340 -0.003 0.000 0.253 213 L C 0.706 177.575 176.870 -0.001 0.000 1.198 213 L CA -0.486 54.356 54.840 0.002 0.000 0.814 213 L CB 0.363 42.418 42.059 -0.006 0.000 1.134 213 L HN 0.423 nan 8.230 nan 0.000 0.478 214 K N 0.484 120.884 120.400 -0.001 0.000 2.218 214 K HA 0.056 4.375 4.320 -0.003 0.000 0.276 214 K C 0.492 177.091 176.600 -0.000 0.000 1.022 214 K CA -0.425 55.861 56.287 -0.001 0.000 0.946 214 K CB 1.251 33.751 32.500 -0.000 0.000 1.000 214 K HN 0.378 nan 8.250 nan 0.000 0.468 215 Q N 1.556 121.356 119.800 -0.000 0.000 2.096 215 Q HA -0.238 4.100 4.340 -0.003 0.000 0.208 215 Q C 1.786 177.790 176.000 0.008 0.000 0.993 215 Q CA 2.903 58.708 55.803 0.003 0.000 0.862 215 Q CB -0.544 28.196 28.738 0.003 0.000 0.915 215 Q HN 0.923 nan 8.270 nan 0.000 0.416 216 T N -1.991 112.567 114.554 0.007 0.000 2.665 216 T HA -0.254 4.094 4.350 -0.003 0.000 0.268 216 T C 1.724 176.431 174.700 0.012 0.000 1.035 216 T CA 1.597 63.703 62.100 0.010 0.000 1.151 216 T CB -0.547 68.326 68.868 0.007 0.000 0.862 216 T HN 0.535 nan 8.240 nan 0.000 0.438 217 E N 0.644 120.849 120.200 0.008 0.000 2.110 217 E HA -0.073 4.275 4.350 -0.003 0.000 0.193 217 E C 2.237 178.840 176.600 0.006 0.000 0.988 217 E CA 1.033 57.438 56.400 0.008 0.000 0.804 217 E CB -0.274 29.428 29.700 0.002 0.000 0.745 217 E HN 0.662 nan 8.360 nan 0.000 0.458 218 I N 0.903 121.474 120.570 0.002 0.000 2.179 218 I HA -0.298 3.870 4.170 -0.003 0.000 0.242 218 I C 2.379 178.513 176.117 0.028 0.000 1.088 218 I CA 0.886 62.186 61.300 -0.000 0.000 1.357 218 I CB -0.245 37.756 38.000 0.002 0.000 1.051 218 I HN 0.210 nan 8.210 nan 0.000 0.409 219 L N 0.108 121.351 121.223 0.034 0.000 2.127 219 L HA -0.232 4.106 4.340 -0.003 0.000 0.211 219 L C 2.734 179.640 176.870 0.059 0.000 1.089 219 L CA 1.310 56.179 54.840 0.048 0.000 0.757 219 L CB -0.616 41.464 42.059 0.035 0.000 0.899 219 L HN 0.223 nan 8.230 nan 0.000 0.434 220 R N 0.466 120.995 120.500 0.048 0.000 2.070 220 R HA -0.120 4.219 4.340 -0.003 0.000 0.233 220 R C 2.327 178.680 176.300 0.088 0.000 1.137 220 R CA 1.488 57.618 56.100 0.051 0.000 0.945 220 R CB -0.220 30.101 30.300 0.035 0.000 0.845 220 R HN 0.221 nan 8.270 nan 0.000 0.430 221 I N 0.808 121.437 120.570 0.098 0.000 2.208 221 I HA -0.329 3.839 4.170 -0.003 0.000 0.245 221 I C 2.059 178.380 176.117 0.340 0.000 1.097 221 I CA 1.258 62.668 61.300 0.183 0.000 1.363 221 I CB -0.293 37.711 38.000 0.006 0.000 1.051 221 I HN 0.247 nan 8.210 nan 0.000 0.413 222 L N 0.149 121.512 121.223 0.233 0.000 2.046 222 L HA -0.194 4.145 4.340 -0.003 0.000 0.208 222 L C 2.678 179.706 176.870 0.263 0.000 1.077 222 L CA 1.261 56.277 54.840 0.292 0.000 0.747 222 L CB -0.756 41.414 42.059 0.185 0.000 0.896 222 L HN 0.273 nan 8.230 nan 0.000 0.432 223 E N 0.181 120.480 120.200 0.165 0.000 2.072 223 E HA -0.209 4.140 4.350 -0.003 0.000 0.190 223 E C 2.097 178.743 176.600 0.077 0.000 0.982 223 E CA 0.828 57.291 56.400 0.105 0.000 0.803 223 E CB -0.400 29.335 29.700 0.059 0.000 0.755 223 E HN 0.355 nan 8.360 nan 0.000 0.453 224 R N -0.279 120.255 120.500 0.056 0.000 2.303 224 R HA -0.076 4.262 4.340 -0.003 0.000 0.225 224 R C 0.547 176.642 176.300 -0.342 0.000 1.114 224 R CA 0.811 56.823 56.100 -0.146 0.000 1.007 224 R CB -0.076 30.108 30.300 -0.194 0.000 0.861 224 R HN 0.072 nan 8.270 nan 0.000 0.471 225 F N -0.206 119.824 119.950 0.133 0.000 2.764 225 F HA 0.201 4.727 4.527 -0.003 0.000 0.310 225 F C -0.217 175.637 175.800 0.089 0.000 1.124 225 F CA -0.613 57.469 58.000 0.136 0.000 1.252 225 F CB 0.567 39.711 39.000 0.240 0.000 1.010 225 F HN -0.011 nan 8.300 nan 0.000 0.518 226 D N 1.494 122.004 120.400 0.183 0.000 2.697 226 D HA -0.177 4.462 4.640 -0.003 0.000 0.238 226 D C -1.102 175.278 176.300 0.134 0.000 1.152 226 D CA 0.374 54.450 54.000 0.127 0.000 0.666 226 D CB -0.713 40.149 40.800 0.103 0.000 1.037 226 D HN 0.044 nan 8.370 nan 0.000 0.423 227 V N 1.560 121.569 119.914 0.158 0.000 2.409 227 V HA 0.350 4.468 4.120 -0.003 0.000 0.291 227 V C 0.144 176.303 176.094 0.109 0.000 1.020 227 V CA -0.817 61.559 62.300 0.128 0.000 0.848 227 V CB 1.833 33.759 31.823 0.172 0.000 0.990 227 V HN 0.244 nan 8.190 nan 0.000 0.430 228 D N 7.565 128.012 120.400 0.080 0.000 2.313 228 D HA 0.328 4.966 4.640 -0.003 0.000 0.239 228 D C -1.346 174.991 176.300 0.062 0.000 1.142 228 D CA -2.092 51.947 54.000 0.066 0.000 0.847 228 D CB 2.174 43.006 40.800 0.053 0.000 1.082 228 D HN 0.256 nan 8.370 nan 0.000 0.480 229 P HA -0.025 nan 4.420 nan 0.000 0.236 229 P C 0.442 177.765 177.300 0.039 0.000 1.177 229 P CA 0.408 63.541 63.100 0.054 0.000 0.773 229 P CB 0.712 32.444 31.700 0.054 0.000 0.878 230 E N 0.355 120.576 120.200 0.035 0.000 2.385 230 E HA 0.068 4.416 4.350 -0.003 0.000 0.194 230 E C 0.649 177.263 176.600 0.024 0.000 1.013 230 E CA 0.609 57.024 56.400 0.026 0.000 0.866 230 E CB 0.037 29.751 29.700 0.022 0.000 0.832 230 E HN 0.433 nan 8.360 nan 0.000 0.500 231 K N 1.014 121.432 120.400 0.031 0.000 2.123 231 K HA 0.379 4.697 4.320 -0.003 0.000 0.248 231 K C -2.583 174.038 176.600 0.034 0.000 0.969 231 K CA -2.175 54.131 56.287 0.031 0.000 0.882 231 K CB 0.857 33.380 32.500 0.039 0.000 1.080 231 K HN -0.206 nan 8.250 nan 0.000 0.441 232 P HA 0.101 nan 4.420 nan 0.000 0.269 232 P C -0.842 176.486 177.300 0.047 0.000 1.209 232 P CA 0.224 63.344 63.100 0.034 0.000 0.776 232 P CB 0.446 32.162 31.700 0.027 0.000 0.876 233 I N 3.453 124.049 120.570 0.043 0.000 2.499 233 I HA 0.416 4.585 4.170 -0.003 0.000 0.288 233 I C 0.091 176.232 176.117 0.040 0.000 1.048 233 I CA -0.907 60.419 61.300 0.042 0.000 1.062 233 I CB 1.482 39.506 38.000 0.041 0.000 1.238 233 I HN 0.225 nan 8.210 nan 0.000 0.426 234 I N 2.063 122.657 120.570 0.039 0.000 2.603 234 I HA 0.789 4.958 4.170 -0.003 0.000 0.300 234 I C -0.781 175.338 176.117 0.004 0.000 1.017 234 I CA -0.287 61.035 61.300 0.036 0.000 1.098 234 I CB 2.289 40.326 38.000 0.062 0.000 1.279 234 I HN 0.377 nan 8.210 nan 0.000 0.437 235 T N 3.974 118.530 114.554 0.004 0.000 2.916 235 T HA 0.368 4.717 4.350 -0.003 0.000 0.305 235 T C -1.178 173.510 174.700 -0.019 0.000 1.119 235 T CA -0.574 61.514 62.100 -0.019 0.000 1.008 235 T CB 2.117 70.983 68.868 -0.002 0.000 1.129 235 T HN 0.743 nan 8.240 nan 0.000 0.480 236 Q N 2.138 121.911 119.800 -0.045 0.000 2.294 236 Q HA 0.622 4.960 4.340 -0.003 0.000 0.264 236 Q C -1.376 174.575 176.000 -0.082 0.000 0.992 236 Q CA -0.673 55.097 55.803 -0.054 0.000 0.747 236 Q CB 1.779 30.482 28.738 -0.059 0.000 1.262 236 Q HN 0.592 nan 8.270 nan 0.000 0.452 237 V N 2.701 122.577 119.914 -0.064 0.000 2.394 237 V HA 0.930 5.049 4.120 -0.003 0.000 0.282 237 V C -1.122 174.908 176.094 -0.108 0.000 1.031 237 V CA 0.364 62.622 62.300 -0.070 0.000 0.881 237 V CB 1.335 33.155 31.823 -0.006 0.000 0.982 237 V HN 0.753 nan 8.190 nan 0.000 0.451 238 S N 5.929 121.519 115.700 -0.183 0.000 2.586 238 S HA 0.484 4.952 4.470 -0.003 0.000 0.277 238 S C -0.646 173.773 174.600 -0.302 0.000 1.131 238 S CA -0.773 57.303 58.200 -0.206 0.000 0.848 238 S CB 1.585 64.658 63.200 -0.211 0.000 1.091 238 S HN 1.400 nan 8.310 nan 0.000 0.453 239 R N 1.363 121.748 120.500 -0.192 0.000 2.643 239 R HA 0.334 4.672 4.340 -0.003 0.000 0.270 239 R C -1.105 175.056 176.300 -0.233 0.000 1.061 239 R CA -0.060 55.954 56.100 -0.143 0.000 1.107 239 R CB -0.192 30.058 30.300 -0.083 0.000 0.999 239 R HN 0.434 nan 8.270 nan 0.000 0.460 240 F N 2.321 122.211 119.950 -0.100 0.000 2.434 240 F HA 0.181 4.707 4.527 -0.002 0.000 0.358 240 F C 0.146 175.861 175.800 -0.141 0.000 1.136 240 F CA 0.250 58.243 58.000 -0.012 0.000 1.157 240 F CB 0.432 39.507 39.000 0.125 0.000 1.167 240 F HN 0.776 nan 8.300 nan 0.000 0.539 241 D N 3.796 124.004 120.400 -0.320 0.000 2.622 241 D HA 0.300 4.939 4.640 -0.003 0.000 0.255 241 D C -2.589 172.782 176.300 -1.548 0.000 1.246 241 D CA -1.747 51.809 54.000 -0.739 0.000 0.795 241 D CB 1.922 42.494 40.800 -0.380 0.000 1.369 241 D HN 0.051 nan 8.370 nan 0.000 0.425 242 P HA 0.009 nan 4.420 nan 0.000 0.225 242 P C 0.046 176.444 177.300 -1.503 0.000 1.148 242 P CA 0.917 62.859 63.100 -1.931 0.000 0.779 242 P CB 0.006 30.610 31.700 -1.827 0.000 0.780 243 W N -0.055 121.047 121.300 -0.331 0.000 2.764 243 W HA 0.320 4.978 4.660 -0.003 0.000 0.427 243 W C 1.173 177.602 176.519 -0.150 0.000 0.896 243 W CA -0.623 56.611 57.345 -0.186 0.000 2.307 243 W CB 0.493 29.873 29.460 -0.133 0.000 1.192 243 W HN -0.254 nan 8.180 nan 0.000 0.731 244 K N 0.145 120.479 120.400 -0.110 0.000 2.387 244 K HA 0.233 4.552 4.320 -0.003 0.000 0.203 244 K C 1.402 177.981 176.600 -0.034 0.000 1.030 244 K CA 0.368 56.609 56.287 -0.075 0.000 1.099 244 K CB 0.731 33.137 32.500 -0.157 0.000 0.863 244 K HN 0.248 nan 8.250 nan 0.000 0.529 245 G N 2.168 110.968 108.800 0.001 0.000 2.168 245 G HA2 -0.300 3.658 3.960 -0.003 0.000 0.257 245 G HA3 -0.300 3.658 3.960 -0.003 0.000 0.257 245 G C 1.000 175.960 174.900 0.100 0.000 0.997 245 G CA 0.570 45.705 45.100 0.057 0.000 0.708 245 G HN 0.355 nan 8.290 nan 0.000 0.520 246 I N -0.755 119.892 120.570 0.130 0.000 2.208 246 I HA -0.169 4.000 4.170 -0.003 0.000 0.245 246 I C 2.441 178.783 176.117 0.376 0.000 1.097 246 I CA 1.509 62.949 61.300 0.233 0.000 1.363 246 I CB -0.318 37.894 38.000 0.354 0.000 1.051 246 I HN 0.213 nan 8.210 nan 0.000 0.413 247 F N 0.870 120.870 119.950 0.084 0.000 2.325 247 F HA -0.158 4.367 4.527 -0.003 0.000 0.299 247 F C 2.223 178.051 175.800 0.046 0.000 1.090 247 F CA 0.862 58.894 58.000 0.054 0.000 1.392 247 F CB -0.818 38.216 39.000 0.057 0.000 1.053 247 F HN 0.144 nan 8.300 nan 0.000 0.521 248 D N -0.328 120.215 120.400 0.238 0.000 2.123 248 D HA -0.093 4.545 4.640 -0.003 0.000 0.200 248 D C 2.599 178.963 176.300 0.108 0.000 0.976 248 D CA 0.916 55.002 54.000 0.143 0.000 0.831 248 D CB -0.553 40.314 40.800 0.112 0.000 0.974 248 D HN 0.084 nan 8.370 nan 0.000 0.469 249 V N 1.591 121.566 119.914 0.102 0.000 2.332 249 V HA -0.224 3.894 4.120 -0.003 0.000 0.248 249 V C 2.540 178.688 176.094 0.090 0.000 1.055 249 V CA 1.104 63.450 62.300 0.076 0.000 1.038 249 V CB -0.339 31.511 31.823 0.044 0.000 0.651 249 V HN 0.190 nan 8.190 nan 0.000 0.450 250 I N -0.170 120.444 120.570 0.074 0.000 2.163 250 I HA -0.292 3.876 4.170 -0.003 0.000 0.243 250 I C 2.607 178.801 176.117 0.128 0.000 1.085 250 I CA 2.091 63.434 61.300 0.070 0.000 1.347 250 I CB -0.396 37.574 38.000 -0.050 0.000 1.044 250 I HN 0.434 nan 8.210 nan 0.000 0.408 251 E N 1.442 121.690 120.200 0.081 0.000 2.110 251 E HA -0.220 4.129 4.350 -0.003 0.000 0.193 251 E C 2.314 178.947 176.600 0.055 0.000 0.988 251 E CA 1.235 57.670 56.400 0.058 0.000 0.804 251 E CB 0.015 29.750 29.700 0.057 0.000 0.745 251 E HN 0.482 nan 8.360 nan 0.000 0.458 252 I N 0.423 121.037 120.570 0.075 0.000 2.226 252 I HA -0.262 3.906 4.170 -0.003 0.000 0.245 252 I C 2.480 178.641 176.117 0.072 0.000 1.100 252 I CA 1.198 62.534 61.300 0.060 0.000 1.374 252 I CB -0.559 37.481 38.000 0.066 0.000 1.057 252 I HN 0.256 nan 8.210 nan 0.000 0.413 253 Y N 2.348 122.640 120.300 -0.013 0.000 2.128 253 Y HA -0.259 4.289 4.550 -0.003 0.000 0.284 253 Y C 2.710 178.597 175.900 -0.022 0.000 1.154 253 Y CA 1.531 59.619 58.100 -0.019 0.000 1.149 253 Y CB -0.428 38.015 38.460 -0.028 0.000 0.976 253 Y HN -0.054 nan 8.280 nan 0.000 0.505 254 R N 0.092 120.451 120.500 -0.235 0.000 2.073 254 R HA -0.162 4.176 4.340 -0.003 0.000 0.234 254 R C 2.249 178.408 176.300 -0.235 0.000 1.134 254 R CA 1.744 57.640 56.100 -0.341 0.000 0.952 254 R CB -0.296 29.937 30.300 -0.111 0.000 0.850 254 R HN 0.180 nan 8.270 nan 0.000 0.433 255 K N 0.358 120.684 120.400 -0.122 0.000 1.991 255 K HA -0.117 4.201 4.320 -0.003 0.000 0.212 255 K C 2.000 178.538 176.600 -0.102 0.000 1.049 255 K CA 1.339 57.575 56.287 -0.085 0.000 0.932 255 K CB -0.594 31.882 32.500 -0.041 0.000 0.717 255 K HN -0.063 nan 8.250 nan 0.000 0.441 256 V N 1.277 121.134 119.914 -0.095 0.000 2.380 256 V HA -0.289 3.829 4.120 -0.003 0.000 0.251 256 V C 2.245 178.262 176.094 -0.128 0.000 1.063 256 V CA 1.902 64.153 62.300 -0.082 0.000 1.055 256 V CB -0.429 31.371 31.823 -0.039 0.000 0.657 256 V HN 0.366 nan 8.190 nan 0.000 0.455 257 K N -0.138 120.115 120.400 -0.245 0.000 2.280 257 K HA -0.194 4.124 4.320 -0.003 0.000 0.202 257 K C 2.021 178.518 176.600 -0.171 0.000 1.047 257 K CA 1.253 57.375 56.287 -0.274 0.000 0.942 257 K CB -0.095 32.081 32.500 -0.540 0.000 0.739 257 K HN 0.581 nan 8.250 nan 0.000 0.457 258 E N 0.011 120.125 120.200 -0.144 0.000 2.265 258 E HA -0.169 4.179 4.350 -0.003 0.000 0.196 258 E C 1.342 177.900 176.600 -0.071 0.000 0.996 258 E CA 1.010 57.352 56.400 -0.096 0.000 0.832 258 E CB 0.225 29.878 29.700 -0.078 0.000 0.756 258 E HN 0.294 nan 8.360 nan 0.000 0.491 259 K N -0.400 119.959 120.400 -0.069 0.000 2.399 259 K HA 0.221 4.539 4.320 -0.003 0.000 0.196 259 K C 0.676 177.247 176.600 -0.047 0.000 1.117 259 K CA 0.211 56.468 56.287 -0.050 0.000 0.965 259 K CB 1.158 33.633 32.500 -0.042 0.000 0.983 259 K HN 0.011 nan 8.250 nan 0.000 0.531 260 I N 2.741 123.278 120.570 -0.055 0.000 2.697 260 I HA 0.158 4.326 4.170 -0.003 0.000 0.279 260 I C -2.215 173.875 176.117 -0.045 0.000 1.171 260 I CA -1.949 59.327 61.300 -0.041 0.000 1.135 260 I CB 1.385 39.367 38.000 -0.031 0.000 1.445 260 I HN -0.213 nan 8.210 nan 0.000 0.541 261 P HA -0.197 nan 4.420 nan 0.000 0.218 261 P C 1.549 178.845 177.300 -0.007 0.000 1.147 261 P CA 1.197 64.275 63.100 -0.037 0.000 0.827 261 P CB 0.259 31.944 31.700 -0.026 0.000 0.778 262 G N -1.491 107.313 108.800 0.007 0.000 3.042 262 G HA2 0.021 3.980 3.960 -0.003 0.000 0.212 262 G HA3 0.021 3.980 3.960 -0.003 0.000 0.212 262 G C 0.247 175.183 174.900 0.060 0.000 1.166 262 G CA -0.095 45.025 45.100 0.032 0.000 0.767 262 G HN 0.247 nan 8.290 nan 0.000 0.546 263 V N 0.847 120.797 119.914 0.059 0.000 2.617 263 V HA 0.149 4.268 4.120 -0.003 0.000 0.304 263 V C -0.168 176.062 176.094 0.227 0.000 1.040 263 V CA 0.381 62.746 62.300 0.109 0.000 1.149 263 V CB 0.885 32.759 31.823 0.085 0.000 0.914 263 V HN 0.466 nan 8.190 nan 0.000 0.487 264 Q N 4.697 124.595 119.800 0.164 0.000 2.306 264 Q HA 0.613 4.951 4.340 -0.003 0.000 0.265 264 Q C -1.181 174.824 176.000 0.008 0.000 1.022 264 Q CA -0.804 55.062 55.803 0.105 0.000 0.853 264 Q CB 2.404 31.166 28.738 0.040 0.000 1.327 264 Q HN 0.652 nan 8.270 nan 0.000 0.449 265 L N 2.746 123.829 121.223 -0.233 0.000 2.325 265 L HA 0.458 4.796 4.340 -0.003 0.000 0.281 265 L C -1.776 174.942 176.870 -0.253 0.000 1.004 265 L CA -0.277 54.377 54.840 -0.311 0.000 0.823 265 L CB 1.106 42.735 42.059 -0.717 0.000 1.236 265 L HN 0.547 nan 8.230 nan 0.000 0.415 266 L N 6.714 127.831 121.223 -0.178 0.000 2.276 266 L HA 0.431 4.769 4.340 -0.003 0.000 0.286 266 L C -0.682 176.093 176.870 -0.158 0.000 1.024 266 L CA -0.451 54.265 54.840 -0.206 0.000 0.826 266 L CB 1.225 43.145 42.059 -0.233 0.000 1.211 266 L HN 0.517 nan 8.230 nan 0.000 0.422 267 L N 5.181 126.328 121.223 -0.127 0.000 2.287 267 L HA 0.418 4.757 4.340 -0.003 0.000 0.280 267 L C -0.362 176.520 176.870 0.020 0.000 1.055 267 L CA -0.507 54.304 54.840 -0.049 0.000 0.863 267 L CB 1.359 43.449 42.059 0.053 0.000 1.245 267 L HN 0.323 nan 8.230 nan 0.000 0.432 268 V N 1.964 121.849 119.914 -0.048 0.000 2.532 268 V HA 0.877 4.995 4.120 -0.003 0.000 0.295 268 V C 0.511 176.624 176.094 0.033 0.000 1.041 268 V CA -0.468 61.843 62.300 0.018 0.000 0.926 268 V CB 1.648 33.478 31.823 0.013 0.000 0.992 268 V HN 0.834 nan 8.190 nan 0.000 0.457 269 G N 2.487 111.413 108.800 0.210 0.000 2.733 269 G HA2 0.599 4.557 3.960 -0.003 0.000 0.297 269 G HA3 0.599 4.557 3.960 -0.003 0.000 0.297 269 G C -1.765 173.280 174.900 0.241 0.000 1.452 269 G CA -0.339 44.888 45.100 0.212 0.000 0.940 269 G HN 0.551 nan 8.290 nan 0.000 0.547 273 H N -0.112 119.114 119.070 0.260 0.000 2.321 273 H HA -0.118 4.437 4.556 -0.003 0.000 0.300 273 H C 0.520 176.016 175.328 0.280 0.000 1.087 273 H CA 1.493 57.724 56.048 0.306 0.000 1.319 273 H CB 0.209 30.050 29.762 0.132 0.000 1.379 273 H HN 0.673 nan 8.280 nan 0.000 0.501 274 D N 0.715 121.248 120.400 0.223 0.000 2.545 274 D HA 0.007 4.645 4.640 -0.003 0.000 0.227 274 D C -0.977 175.384 176.300 0.102 0.000 1.150 274 D CA 0.150 54.208 54.000 0.097 0.000 1.046 274 D CB -0.239 40.590 40.800 0.049 0.000 1.098 274 D HN 0.314 nan 8.370 nan 0.000 0.502 275 D N 3.375 123.858 120.400 0.139 0.000 3.784 275 D HA 0.054 4.692 4.640 -0.003 0.000 0.261 275 D C -1.858 174.488 176.300 0.076 0.000 1.391 275 D CA -0.884 53.137 54.000 0.034 0.000 0.797 275 D CB 0.737 41.475 40.800 -0.103 0.000 1.391 275 D HN 0.166 nan 8.370 nan 0.000 0.734 276 P HA -0.242 nan 4.420 nan 0.000 0.217 276 P C 1.204 178.595 177.300 0.152 0.000 1.162 276 P CA 1.319 64.530 63.100 0.186 0.000 0.901 276 P CB 0.516 32.290 31.700 0.123 0.000 0.793 277 E N -0.314 119.937 120.200 0.085 0.000 2.058 277 E HA -0.148 4.200 4.350 -0.003 0.000 0.194 277 E C 2.474 179.118 176.600 0.073 0.000 0.997 277 E CA 1.413 57.858 56.400 0.074 0.000 0.801 277 E CB -0.972 28.747 29.700 0.032 0.000 0.746 277 E HN 0.340 nan 8.360 nan 0.000 0.450 278 G N 0.796 109.574 108.800 -0.037 0.000 2.514 278 G HA2 -0.268 3.691 3.960 -0.003 0.000 0.217 278 G HA3 -0.268 3.691 3.960 -0.003 0.000 0.217 278 G C 1.116 175.957 174.900 -0.099 0.000 1.198 278 G CA 0.903 45.917 45.100 -0.144 0.000 0.780 278 G HN 0.338 nan 8.290 nan 0.000 0.565 279 W N 0.207 121.571 121.300 0.107 0.000 2.374 279 W HA 0.069 4.727 4.660 -0.003 0.000 0.288 279 W C 2.463 179.100 176.519 0.196 0.000 1.218 279 W CA -0.562 56.837 57.345 0.090 0.000 1.245 279 W CB -0.069 29.407 29.460 0.028 0.000 1.126 279 W HN 0.060 nan 8.180 nan 0.000 0.545 280 I N -0.755 120.020 120.570 0.342 0.000 2.202 280 I HA -0.309 3.859 4.170 -0.003 0.000 0.242 280 I C 2.071 178.330 176.117 0.236 0.000 1.091 280 I CA 1.602 63.053 61.300 0.252 0.000 1.368 280 I CB -1.548 36.562 38.000 0.184 0.000 1.058 280 I HN 0.067 nan 8.210 nan 0.000 0.410 281 Y N 0.752 121.135 120.300 0.138 0.000 2.274 281 Y HA -0.299 4.250 4.550 -0.003 0.000 0.290 281 Y C 2.557 178.597 175.900 0.233 0.000 1.145 281 Y CA 1.406 59.588 58.100 0.135 0.000 1.203 281 Y CB -0.495 38.013 38.460 0.079 0.000 0.984 281 Y HN 0.123 nan 8.280 nan 0.000 0.533 282 F N 1.039 121.065 119.950 0.127 0.000 2.069 282 F HA -0.230 4.295 4.527 -0.003 0.000 0.298 282 F C 2.103 177.867 175.800 -0.060 0.000 1.113 282 F CA 2.289 60.218 58.000 -0.117 0.000 1.214 282 F CB -0.558 38.335 39.000 -0.178 0.000 0.978 282 F HN 0.072 nan 8.300 nan 0.000 0.474 283 E N 0.369 120.575 120.200 0.010 0.000 2.077 283 E HA -0.233 4.116 4.350 -0.003 0.000 0.193 283 E C 2.137 178.634 176.600 -0.172 0.000 0.989 283 E CA 1.510 57.825 56.400 -0.141 0.000 0.800 283 E CB -0.297 29.433 29.700 0.050 0.000 0.746 283 E HN 0.493 nan 8.360 nan 0.000 0.452 284 K N 0.279 120.610 120.400 -0.116 0.000 2.152 284 K HA -0.101 4.217 4.320 -0.003 0.000 0.206 284 K C 2.233 178.734 176.600 -0.166 0.000 1.048 284 K CA 1.423 57.636 56.287 -0.123 0.000 0.933 284 K CB -0.126 32.284 32.500 -0.151 0.000 0.721 284 K HN 0.083 nan 8.250 nan 0.000 0.447 285 T N 1.855 116.294 114.554 -0.192 0.000 2.737 285 T HA -0.065 4.283 4.350 -0.003 0.000 0.265 285 T C 1.900 176.417 174.700 -0.304 0.000 1.038 285 T CA 0.911 62.883 62.100 -0.213 0.000 1.144 285 T CB -0.139 68.730 68.868 0.001 0.000 0.866 285 T HN 0.092 nan 8.240 nan 0.000 0.434 286 L N 0.375 121.379 121.223 -0.366 0.000 2.083 286 L HA -0.078 4.260 4.340 -0.003 0.000 0.209 286 L C 2.866 179.573 176.870 -0.272 0.000 1.083 286 L CA 1.371 55.993 54.840 -0.363 0.000 0.752 286 L CB -0.414 41.370 42.059 -0.458 0.000 0.899 286 L HN 0.142 nan 8.230 nan 0.000 0.433 287 R N -0.046 120.316 120.500 -0.231 0.000 2.081 287 R HA -0.208 4.130 4.340 -0.003 0.000 0.235 287 R C 2.313 178.499 176.300 -0.190 0.000 1.131 287 R CA 1.488 57.485 56.100 -0.172 0.000 0.960 287 R CB -0.245 29.979 30.300 -0.127 0.000 0.856 287 R HN 0.099 nan 8.270 nan 0.000 0.436 288 K N 1.257 121.501 120.400 -0.261 0.000 2.097 288 K HA -0.071 4.247 4.320 -0.003 0.000 0.206 288 K C 1.722 178.157 176.600 -0.274 0.000 1.049 288 K CA 1.363 57.455 56.287 -0.324 0.000 0.933 288 K CB -0.143 31.976 32.500 -0.636 0.000 0.717 288 K HN 0.120 nan 8.250 nan 0.000 0.442 289 I N 0.063 120.469 120.570 -0.275 0.000 2.353 289 I HA -0.048 4.120 4.170 -0.003 0.000 0.248 289 I C 1.481 177.487 176.117 -0.185 0.000 1.119 289 I CA 0.703 61.866 61.300 -0.227 0.000 1.417 289 I CB -0.737 37.104 38.000 -0.264 0.000 1.078 289 I HN 0.533 nan 8.210 nan 0.000 0.421 290 G N 1.288 109.977 108.800 -0.186 0.000 2.552 290 G HA2 -0.314 3.644 3.960 -0.003 0.000 0.265 290 G HA3 -0.314 3.644 3.960 -0.003 0.000 0.265 290 G C 0.206 175.008 174.900 -0.163 0.000 1.234 290 G CA 0.098 45.116 45.100 -0.136 0.000 0.944 290 G HN 0.472 nan 8.290 nan 0.000 0.568 291 E N 1.080 121.243 120.200 -0.062 0.000 2.311 291 E HA 0.167 4.515 4.350 -0.003 0.000 0.198 291 E C -0.210 176.434 176.600 0.073 0.000 1.115 291 E CA 0.041 56.459 56.400 0.031 0.000 1.140 291 E CB 0.212 30.030 29.700 0.196 0.000 1.204 291 E HN 0.382 nan 8.360 nan 0.000 0.446 292 D N 0.208 120.562 120.400 -0.076 0.000 2.393 292 D HA -0.023 4.615 4.640 -0.003 0.000 0.232 292 D C -0.163 176.077 176.300 -0.100 0.000 1.192 292 D CA -0.391 53.613 54.000 0.007 0.000 0.882 292 D CB 0.176 40.995 40.800 0.030 0.000 1.038 292 D HN 0.100 nan 8.370 nan 0.000 0.499 293 Y N 1.546 121.846 120.300 0.000 0.000 2.471 293 Y HA 0.075 4.623 4.550 -0.003 0.000 0.286 293 Y C 1.444 177.337 175.900 -0.011 0.000 1.188 293 Y CA -0.095 57.997 58.100 -0.014 0.000 1.286 293 Y CB 0.413 38.868 38.460 -0.008 0.000 1.072 293 Y HN 0.371 nan 8.280 nan 0.000 0.517 294 D N -0.670 119.790 120.400 0.100 0.000 2.355 294 D HA 0.019 4.657 4.640 -0.003 0.000 0.218 294 D C -0.015 176.235 176.300 -0.084 0.000 1.004 294 D CA 0.512 54.559 54.000 0.079 0.000 0.880 294 D CB 0.412 41.325 40.800 0.188 0.000 0.911 294 D HN -0.048 nan 8.370 nan 0.000 0.528 295 V N 2.604 122.397 119.914 -0.203 0.000 2.383 295 V HA 0.159 4.277 4.120 -0.003 0.000 0.275 295 V C 0.155 176.108 176.094 -0.235 0.000 1.036 295 V CA -0.630 61.450 62.300 -0.368 0.000 0.889 295 V CB 1.641 33.192 31.823 -0.453 0.000 0.985 295 V HN -0.140 nan 8.190 nan 0.000 0.459 296 K N 4.482 124.760 120.400 -0.203 0.000 2.206 296 K HA 0.575 4.894 4.320 -0.003 0.000 0.264 296 K C -0.881 175.639 176.600 -0.133 0.000 0.967 296 K CA -0.644 55.555 56.287 -0.146 0.000 0.844 296 K CB 2.180 34.584 32.500 -0.161 0.000 1.099 296 K HN 0.346 nan 8.250 nan 0.000 0.441 297 V N 4.969 124.845 119.914 -0.063 0.000 2.294 297 V HA 0.305 4.423 4.120 -0.003 0.000 0.272 297 V C -0.177 175.975 176.094 0.098 0.000 1.027 297 V CA -0.756 61.572 62.300 0.046 0.000 0.823 297 V CB 0.404 32.229 31.823 0.002 0.000 1.030 297 V HN 0.523 nan 8.190 nan 0.000 0.457 298 L N 5.812 127.069 121.223 0.056 0.000 2.296 298 L HA 0.844 5.182 4.340 -0.003 0.000 0.286 298 L C 0.297 177.260 176.870 0.155 0.000 1.023 298 L CA -0.065 54.777 54.840 0.004 0.000 0.812 298 L CB 1.895 43.732 42.059 -0.369 0.000 1.223 298 L HN 0.777 nan 8.230 nan 0.000 0.421 299 T N -2.506 112.145 114.554 0.162 0.000 2.821 299 T HA 0.203 4.551 4.350 -0.003 0.000 0.306 299 T C 0.540 175.305 174.700 0.109 0.000 1.313 299 T CA -0.895 61.306 62.100 0.170 0.000 1.012 299 T CB 1.306 70.266 68.868 0.153 0.000 1.298 299 T HN 0.531 nan 8.240 nan 0.000 0.502 300 N N 0.681 119.454 118.700 0.122 0.000 2.585 300 N HA -0.054 4.685 4.740 -0.003 0.000 0.188 300 N C 1.585 177.138 175.510 0.073 0.000 1.102 300 N CA 0.483 53.580 53.050 0.079 0.000 0.920 300 N CB -0.564 38.047 38.487 0.207 0.000 0.963 300 N HN 0.644 nan 8.380 nan 0.000 0.447 301 L N 0.555 121.808 121.223 0.050 0.000 2.131 301 L HA 0.036 4.375 4.340 -0.003 0.000 0.210 301 L C 1.557 178.412 176.870 -0.024 0.000 1.092 301 L CA 1.079 55.858 54.840 -0.102 0.000 0.759 301 L CB -0.065 41.825 42.059 -0.282 0.000 0.903 301 L HN 0.248 nan 8.230 nan 0.000 0.435 302 I N -4.408 116.196 120.570 0.058 0.000 3.654 302 I HA 0.442 4.610 4.170 -0.003 0.000 0.337 302 I C 0.896 177.109 176.117 0.159 0.000 1.568 302 I CA 0.347 61.714 61.300 0.112 0.000 1.115 302 I CB 0.217 38.330 38.000 0.187 0.000 1.300 302 I HN 0.159 nan 8.210 nan 0.000 0.471 303 G N 1.221 110.047 108.800 0.043 0.000 2.175 303 G HA2 -0.213 3.745 3.960 -0.003 0.000 0.244 303 G HA3 -0.213 3.745 3.960 -0.003 0.000 0.244 303 G C 0.091 174.799 174.900 -0.319 0.000 0.982 303 G CA 0.018 45.082 45.100 -0.060 0.000 0.641 303 G HN 0.313 nan 8.290 nan 0.000 0.527 304 V N 3.423 123.198 119.914 -0.232 0.000 2.455 304 V HA 0.528 4.646 4.120 -0.003 0.000 0.273 304 V C 0.676 176.528 176.094 -0.403 0.000 1.045 304 V CA -0.215 61.950 62.300 -0.225 0.000 0.976 304 V CB 0.760 32.569 31.823 -0.024 0.000 0.993 304 V HN 0.402 nan 8.190 nan 0.000 0.475 305 H N 2.918 122.029 119.070 0.068 0.000 3.024 305 H HA 0.551 5.105 4.556 -0.003 0.000 0.305 305 H C 1.223 176.561 175.328 0.018 0.000 1.506 305 H CA -0.248 55.833 56.048 0.054 0.000 1.324 305 H CB 1.355 31.151 29.762 0.057 0.000 1.925 305 H HN 0.460 nan 8.280 nan 0.000 0.661 306 A N 0.483 123.408 122.820 0.175 0.000 1.903 306 A HA -0.273 4.045 4.320 -0.003 0.000 0.219 306 A C 2.350 179.954 177.584 0.033 0.000 1.191 306 A CA 2.592 54.678 52.037 0.083 0.000 0.638 306 A CB -0.718 18.325 19.000 0.072 0.000 0.823 306 A HN 0.689 nan 8.150 nan 0.000 0.451 307 R N -0.133 120.390 120.500 0.038 0.000 2.081 307 R HA -0.158 4.181 4.340 -0.003 0.000 0.235 307 R C 2.010 178.241 176.300 -0.115 0.000 1.131 307 R CA 1.769 57.862 56.100 -0.012 0.000 0.960 307 R CB -0.225 30.086 30.300 0.017 0.000 0.856 307 R HN 0.648 nan 8.270 nan 0.000 0.436 308 E N 0.091 120.188 120.200 -0.172 0.000 2.107 308 E HA -0.112 4.236 4.350 -0.003 0.000 0.191 308 E C 2.135 178.329 176.600 -0.678 0.000 0.982 308 E CA 0.993 57.083 56.400 -0.518 0.000 0.809 308 E CB -0.414 28.971 29.700 -0.526 0.000 0.756 308 E HN 0.242 nan 8.360 nan 0.000 0.459 309 V N 2.995 122.773 119.914 -0.225 0.000 2.343 309 V HA -0.258 3.860 4.120 -0.003 0.000 0.247 309 V C 2.455 178.519 176.094 -0.050 0.000 1.051 309 V CA 1.926 64.214 62.300 -0.019 0.000 1.036 309 V CB -0.773 31.084 31.823 0.056 0.000 0.654 309 V HN 0.278 nan 8.190 nan 0.000 0.451 310 N N 0.798 119.453 118.700 -0.074 0.000 2.061 310 N HA -0.205 4.533 4.740 -0.003 0.000 0.193 310 N C 1.809 177.278 175.510 -0.068 0.000 1.030 310 N CA 2.201 55.229 53.050 -0.036 0.000 0.856 310 N CB -0.248 38.225 38.487 -0.024 0.000 1.023 310 N HN 0.454 nan 8.380 nan 0.000 0.424 311 A N 0.284 122.988 122.820 -0.194 0.000 1.858 311 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 311 A C 2.319 179.850 177.584 -0.089 0.000 1.190 311 A CA 1.220 53.138 52.037 -0.198 0.000 0.617 311 A CB -1.288 17.505 19.000 -0.344 0.000 0.827 311 A HN 0.410 nan 8.150 nan 0.000 0.443 312 F N 0.089 120.019 119.950 -0.033 0.000 2.154 312 F HA -0.315 4.210 4.527 -0.004 0.000 0.301 312 F C 2.853 178.642 175.800 -0.019 0.000 1.087 312 F CA 1.525 59.501 58.000 -0.040 0.000 1.274 312 F CB -0.305 38.648 39.000 -0.078 0.000 1.009 312 F HN 0.328 nan 8.300 nan 0.000 0.485 313 Q N 0.025 119.917 119.800 0.153 0.000 2.049 313 Q HA -0.139 4.199 4.340 -0.003 0.000 0.198 313 Q C 2.270 178.308 176.000 0.063 0.000 0.971 313 Q CA 1.088 56.947 55.803 0.093 0.000 0.833 313 Q CB -0.216 28.566 28.738 0.072 0.000 0.896 313 Q HN 0.393 nan 8.270 nan 0.000 0.434 314 R N 0.317 120.844 120.500 0.044 0.000 2.105 314 R HA -0.110 4.228 4.340 -0.003 0.000 0.239 314 R C 2.094 178.414 176.300 0.033 0.000 1.135 314 R CA 1.279 57.393 56.100 0.023 0.000 0.967 314 R CB -0.320 29.983 30.300 0.006 0.000 0.861 314 R HN 0.178 nan 8.270 nan 0.000 0.442 315 A N 0.790 123.646 122.820 0.059 0.000 2.167 315 A HA 0.038 4.356 4.320 -0.003 0.000 0.214 315 A C 0.673 178.295 177.584 0.064 0.000 1.151 315 A CA 0.210 52.287 52.037 0.067 0.000 0.735 315 A CB 0.086 19.149 19.000 0.105 0.000 0.802 315 A HN 0.133 nan 8.150 nan 0.000 0.467 316 S N 0.566 116.304 115.700 0.063 0.000 2.564 316 S HA 0.200 4.668 4.470 -0.003 0.000 0.278 316 S C 0.091 174.712 174.600 0.036 0.000 1.333 316 S CA 0.026 58.256 58.200 0.050 0.000 1.048 316 S CB 1.086 64.316 63.200 0.049 0.000 0.900 316 S HN 0.476 nan 8.310 nan 0.000 0.505 317 D N 0.553 120.973 120.400 0.034 0.000 2.262 317 D HA 0.161 4.799 4.640 -0.003 0.000 0.212 317 D C -0.159 176.162 176.300 0.035 0.000 0.964 317 D CA 0.599 54.616 54.000 0.028 0.000 0.875 317 D CB 0.333 41.147 40.800 0.024 0.000 0.996 317 D HN 0.238 nan 8.370 nan 0.000 0.497 318 V N 1.044 120.983 119.914 0.042 0.000 2.888 318 V HA 0.383 4.501 4.120 -0.003 0.000 0.309 318 V C -1.046 175.076 176.094 0.047 0.000 1.114 318 V CA -0.826 61.506 62.300 0.054 0.000 0.940 318 V CB 2.802 34.664 31.823 0.065 0.000 1.021 318 V HN -0.016 nan 8.190 nan 0.000 0.426 319 I N 4.712 125.311 120.570 0.048 0.000 2.465 319 I HA 0.528 4.697 4.170 -0.003 0.000 0.291 319 I C -0.875 175.264 176.117 0.036 0.000 1.014 319 I CA -0.528 60.792 61.300 0.034 0.000 1.093 319 I CB 2.008 40.023 38.000 0.026 0.000 1.267 319 I HN 0.342 nan 8.210 nan 0.000 0.431 320 L N 5.068 126.305 121.223 0.024 0.000 2.322 320 L HA 0.630 4.968 4.340 -0.003 0.000 0.269 320 L C -0.457 176.414 176.870 0.001 0.000 1.012 320 L CA -0.561 54.293 54.840 0.024 0.000 0.815 320 L CB 1.842 43.917 42.059 0.028 0.000 1.295 320 L HN 0.510 nan 8.230 nan 0.000 0.438 324 I N 1.351 121.973 120.570 0.086 0.000 3.339 324 I HA 0.290 4.458 4.170 -0.003 0.000 0.285 324 I C 0.547 176.691 176.117 0.045 0.000 1.201 324 I CA 0.867 62.215 61.300 0.081 0.000 1.434 324 I CB 0.261 38.356 38.000 0.158 0.000 1.152 324 I HN 0.441 nan 8.210 nan 0.000 0.443 325 R N 0.734 121.282 120.500 0.079 0.000 2.473 325 R HA 0.462 4.800 4.340 -0.003 0.000 0.303 325 R C -0.971 175.369 176.300 0.067 0.000 1.002 325 R CA -0.424 55.708 56.100 0.054 0.000 0.884 325 R CB 1.933 32.265 30.300 0.054 0.000 1.173 325 R HN -0.123 nan 8.270 nan 0.000 0.464 326 E N 1.143 121.379 120.200 0.060 0.000 2.343 326 E HA 0.524 4.873 4.350 -0.003 0.000 0.270 326 E C -0.412 176.253 176.600 0.107 0.000 0.895 326 E CA -0.551 55.882 56.400 0.056 0.000 0.767 326 E CB 1.805 31.508 29.700 0.005 0.000 1.248 326 E HN 0.516 nan 8.360 nan 0.000 0.440 327 G N 1.323 110.200 108.800 0.129 0.000 2.975 327 G HA2 0.029 3.987 3.960 -0.003 0.000 0.159 327 G HA3 0.029 3.987 3.960 -0.003 0.000 0.159 327 G C 0.337 175.283 174.900 0.076 0.000 1.525 327 G CA -0.084 45.155 45.100 0.232 0.000 1.075 327 G HN 0.529 nan 8.290 nan 0.000 0.574 328 F N 1.316 121.225 119.950 -0.068 0.000 2.325 328 F HA 0.224 4.749 4.527 -0.003 0.000 0.299 328 F C 1.794 177.517 175.800 -0.128 0.000 1.090 328 F CA 1.213 59.119 58.000 -0.157 0.000 1.392 328 F CB -0.184 38.663 39.000 -0.255 0.000 1.053 328 F HN 0.718 nan 8.300 nan 0.000 0.521 329 G N 1.615 110.281 108.800 -0.222 0.000 2.417 329 G HA2 -0.269 3.690 3.960 -0.003 0.000 0.291 329 G HA3 -0.269 3.690 3.960 -0.003 0.000 0.291 329 G C 0.749 175.455 174.900 -0.323 0.000 1.094 329 G CA 0.293 45.228 45.100 -0.275 0.000 1.146 329 G HN 0.485 nan 8.290 nan 0.000 0.519 330 L N 0.204 121.350 121.223 -0.129 0.000 2.265 330 L HA -0.112 4.226 4.340 -0.003 0.000 0.215 330 L C 3.188 180.008 176.870 -0.083 0.000 1.117 330 L CA 2.133 56.930 54.840 -0.072 0.000 0.782 330 L CB -0.523 41.538 42.059 0.003 0.000 0.914 330 L HN 0.719 nan 8.230 nan 0.000 0.441 331 T N -3.434 111.071 114.554 -0.081 0.000 2.759 331 T HA -0.166 4.183 4.350 -0.003 0.000 0.269 331 T C 1.794 176.456 174.700 -0.064 0.000 1.042 331 T CA 1.257 63.324 62.100 -0.055 0.000 1.140 331 T CB -0.709 68.126 68.868 -0.054 0.000 0.864 331 T HN 0.117 nan 8.240 nan 0.000 0.455 332 V N 2.198 122.039 119.914 -0.121 0.000 2.358 332 V HA -0.164 3.954 4.120 -0.003 0.000 0.246 332 V C 3.016 179.048 176.094 -0.103 0.000 1.047 332 V CA 2.181 64.407 62.300 -0.124 0.000 1.035 332 V CB -1.278 30.426 31.823 -0.199 0.000 0.658 332 V HN 0.616 nan 8.190 nan 0.000 0.452 333 T N -0.008 114.458 114.554 -0.146 0.000 2.720 333 T HA -0.231 4.117 4.350 -0.003 0.000 0.268 333 T C 1.718 176.454 174.700 0.061 0.000 1.037 333 T CA 1.812 63.868 62.100 -0.072 0.000 1.144 333 T CB -0.292 68.529 68.868 -0.078 0.000 0.864 333 T HN 0.632 nan 8.240 nan 0.000 0.444 334 E N 1.636 121.866 120.200 0.051 0.000 2.077 334 E HA 0.130 4.479 4.350 -0.003 0.000 0.193 334 E C 1.516 178.204 176.600 0.147 0.000 0.989 334 E CA 0.607 57.080 56.400 0.121 0.000 0.800 334 E CB -0.229 29.515 29.700 0.073 0.000 0.746 334 E HN 0.545 nan 8.360 nan 0.000 0.452 338 K N 1.374 121.737 120.400 -0.061 0.000 2.469 338 K HA 0.262 4.580 4.320 -0.003 0.000 0.201 338 K C 1.112 177.629 176.600 -0.139 0.000 1.028 338 K CA 0.622 56.819 56.287 -0.148 0.000 1.170 338 K CB -0.114 32.375 32.500 -0.019 0.000 0.874 338 K HN 0.196 nan 8.250 nan 0.000 0.507 339 G N 2.342 111.054 108.800 -0.146 0.000 2.249 339 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.273 339 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.273 339 G C -0.428 174.440 174.900 -0.052 0.000 1.036 339 G CA 0.215 45.251 45.100 -0.106 0.000 0.824 339 G HN 0.101 nan 8.290 nan 0.000 0.504 340 K N 0.703 121.088 120.400 -0.026 0.000 2.206 340 K HA 0.460 4.778 4.320 -0.003 0.000 0.264 340 K C -2.270 174.333 176.600 0.004 0.000 0.967 340 K CA -2.214 54.071 56.287 -0.003 0.000 0.844 340 K CB 2.444 34.951 32.500 0.011 0.000 1.099 340 K HN 0.171 nan 8.250 nan 0.000 0.441 341 P HA 0.123 nan 4.420 nan 0.000 0.276 341 P C -0.401 176.930 177.300 0.052 0.000 1.235 341 P CA -0.333 62.782 63.100 0.026 0.000 0.772 341 P CB 0.799 32.544 31.700 0.074 0.000 0.871 342 V N 5.486 125.419 119.914 0.032 0.000 2.513 342 V HA 0.398 4.516 4.120 -0.003 0.000 0.299 342 V C 0.569 176.720 176.094 0.096 0.000 1.035 342 V CA -0.701 61.626 62.300 0.045 0.000 0.889 342 V CB 1.712 33.534 31.823 -0.001 0.000 0.988 342 V HN 0.406 nan 8.190 nan 0.000 0.440 343 I N 3.725 124.363 120.570 0.112 0.000 2.382 343 I HA 0.774 4.942 4.170 -0.003 0.000 0.286 343 I C 0.564 176.727 176.117 0.077 0.000 1.002 343 I CA 0.051 61.438 61.300 0.145 0.000 1.135 343 I CB 1.646 39.732 38.000 0.143 0.000 1.288 343 I HN 0.786 nan 8.210 nan 0.000 0.448 344 G N 5.412 114.253 108.800 0.068 0.000 2.721 344 G HA2 0.567 4.525 3.960 -0.003 0.000 0.296 344 G HA3 0.567 4.525 3.960 -0.003 0.000 0.296 344 G C -1.310 173.611 174.900 0.035 0.000 1.383 344 G CA -0.856 44.264 45.100 0.034 0.000 0.788 344 G HN 0.387 nan 8.290 nan 0.000 0.500 345 R N -0.280 120.232 120.500 0.020 0.000 2.428 345 R HA 0.534 4.872 4.340 -0.003 0.000 0.294 345 R C 0.141 176.449 176.300 0.013 0.000 1.000 345 R CA -0.415 55.698 56.100 0.022 0.000 0.960 345 R CB 1.771 32.085 30.300 0.023 0.000 1.076 345 R HN 0.549 nan 8.270 nan 0.000 0.475 346 A N 3.429 126.260 122.820 0.017 0.000 3.030 346 A HA 0.232 4.550 4.320 -0.003 0.000 0.273 346 A C 0.210 177.801 177.584 0.012 0.000 1.841 346 A CA -0.224 51.822 52.037 0.015 0.000 1.479 346 A CB -0.817 18.196 19.000 0.022 0.000 1.048 346 A HN 0.470 nan 8.150 nan 0.000 0.612 347 V N -1.605 118.311 119.914 0.004 0.000 3.130 347 V HA 0.951 5.069 4.120 -0.003 0.000 0.310 347 V C 0.824 176.915 176.094 -0.004 0.000 1.158 347 V CA -0.143 62.161 62.300 0.005 0.000 1.029 347 V CB 0.818 32.647 31.823 0.009 0.000 1.057 347 V HN 1.991 nan 8.190 nan 0.000 0.436 348 G N 2.006 110.811 108.800 0.008 0.000 2.632 348 G HA2 -0.197 3.761 3.960 -0.003 0.000 0.322 348 G HA3 -0.197 3.761 3.960 -0.003 0.000 0.322 348 G C 1.049 175.927 174.900 -0.036 0.000 1.326 348 G CA 0.974 46.070 45.100 -0.007 0.000 0.986 348 G HN 2.347 nan 8.290 nan 0.000 0.541 349 G N -0.520 108.218 108.800 -0.104 0.000 2.679 349 G HA2 0.242 4.200 3.960 -0.003 0.000 0.212 349 G HA3 0.242 4.200 3.960 -0.003 0.000 0.212 349 G C 1.713 176.449 174.900 -0.272 0.000 1.137 349 G CA 1.057 46.026 45.100 -0.218 0.000 0.787 349 G HN 0.669 nan 8.290 nan 0.000 0.534 350 I N 0.899 121.360 120.570 -0.183 0.000 2.439 350 I HA -0.122 4.046 4.170 -0.003 0.000 0.251 350 I C 2.798 178.868 176.117 -0.078 0.000 1.139 350 I CA 1.418 62.626 61.300 -0.153 0.000 1.438 350 I CB -0.024 37.917 38.000 -0.098 0.000 1.085 350 I HN 0.284 nan 8.210 nan 0.000 0.427 351 K N 0.638 121.029 120.400 -0.014 0.000 2.167 351 K HA -0.134 4.184 4.320 -0.003 0.000 0.203 351 K C 2.195 178.847 176.600 0.088 0.000 1.052 351 K CA 1.037 57.342 56.287 0.031 0.000 0.956 351 K CB -0.480 32.049 32.500 0.049 0.000 0.735 351 K HN 0.134 nan 8.250 nan 0.000 0.451 352 F N 2.635 122.555 119.950 -0.050 0.000 2.098 352 F HA -0.014 4.513 4.527 0.000 0.000 0.294 352 F C 2.264 178.073 175.800 0.014 0.000 1.107 352 F CA 1.362 59.367 58.000 0.009 0.000 1.234 352 F CB -0.275 38.761 39.000 0.060 0.000 1.002 352 F HN 0.009 nan 8.300 nan 0.000 0.472 353 Q N 0.185 119.851 119.800 -0.223 0.000 2.084 353 Q HA -0.047 4.292 4.340 -0.003 0.000 0.202 353 Q C 0.486 176.366 176.000 -0.201 0.000 0.978 353 Q CA 0.982 56.581 55.803 -0.340 0.000 0.844 353 Q CB -0.071 28.391 28.738 -0.459 0.000 0.898 353 Q HN 0.335 nan 8.270 nan 0.000 0.426 354 I N 1.394 121.875 120.570 -0.148 0.000 2.441 354 I HA 0.056 4.225 4.170 -0.003 0.000 0.287 354 I C -0.569 175.494 176.117 -0.091 0.000 1.049 354 I CA -0.475 60.761 61.300 -0.107 0.000 1.381 354 I CB 1.334 39.284 38.000 -0.082 0.000 1.409 354 I HN -0.143 nan 8.210 nan 0.000 0.523 355 V N 5.508 125.364 119.914 -0.096 0.000 2.304 355 V HA 0.068 4.186 4.120 -0.003 0.000 0.269 355 V C 0.050 176.081 176.094 -0.105 0.000 1.036 355 V CA -0.657 61.593 62.300 -0.083 0.000 0.840 355 V CB 0.960 32.736 31.823 -0.078 0.000 1.036 355 V HN 0.697 nan 8.190 nan 0.000 0.466 356 D N 4.326 124.682 120.400 -0.073 0.000 2.658 356 D HA 0.251 4.889 4.640 -0.003 0.000 0.230 356 D C 1.413 177.643 176.300 -0.117 0.000 1.118 356 D CA 2.148 56.106 54.000 -0.071 0.000 0.848 356 D CB 0.560 41.365 40.800 0.009 0.000 1.160 356 D HN 0.913 nan 8.370 nan 0.000 0.497 357 G N 2.985 111.616 108.800 -0.281 0.000 2.220 357 G HA2 -0.408 3.550 3.960 -0.003 0.000 0.269 357 G HA3 -0.408 3.550 3.960 -0.003 0.000 0.269 357 G C 1.012 175.762 174.900 -0.250 0.000 0.977 357 G CA 0.898 45.833 45.100 -0.275 0.000 0.634 357 G HN 0.580 nan 8.290 nan 0.000 0.539 358 E N -0.250 119.817 120.200 -0.221 0.000 2.067 358 E HA 0.158 4.507 4.350 -0.003 0.000 0.194 358 E C 2.788 179.283 176.600 -0.175 0.000 0.950 358 E CA 2.015 58.324 56.400 -0.150 0.000 0.872 358 E CB -0.113 29.527 29.700 -0.099 0.000 0.877 358 E HN 0.550 nan 8.360 nan 0.000 0.470 359 T N -2.770 111.679 114.554 -0.176 0.000 3.031 359 T HA 0.428 4.777 4.350 -0.003 0.000 0.254 359 T C 0.902 175.479 174.700 -0.204 0.000 1.060 359 T CA 0.365 62.377 62.100 -0.146 0.000 1.135 359 T CB 0.707 69.520 68.868 -0.092 0.000 0.896 359 T HN 0.232 nan 8.240 nan 0.000 0.472 360 G N -0.020 108.590 108.800 -0.318 0.000 2.570 360 G HA2 0.546 4.504 3.960 -0.003 0.000 0.310 360 G HA3 0.546 4.504 3.960 -0.003 0.000 0.310 360 G C -2.024 172.527 174.900 -0.581 0.000 1.266 360 G CA -1.148 43.724 45.100 -0.381 0.000 0.825 360 G HN 0.188 nan 8.290 nan 0.000 0.483 361 F N -0.486 119.472 119.950 0.015 0.000 2.561 361 F HA 0.747 5.272 4.527 -0.003 0.000 0.321 361 F C 0.039 175.840 175.800 0.001 0.000 1.065 361 F CA -0.810 57.196 58.000 0.010 0.000 0.934 361 F CB 2.379 41.392 39.000 0.020 0.000 1.215 361 F HN 0.146 nan 8.300 nan 0.000 0.471 362 L N 3.428 124.772 121.223 0.202 0.000 2.333 362 L HA 0.789 5.127 4.340 -0.003 0.000 0.280 362 L C -0.626 176.305 176.870 0.102 0.000 1.004 362 L CA -0.960 53.945 54.840 0.108 0.000 0.820 362 L CB 1.766 43.862 42.059 0.062 0.000 1.247 362 L HN 0.536 nan 8.230 nan 0.000 0.416 363 V N 0.931 120.887 119.914 0.070 0.000 3.126 363 V HA 0.591 4.709 4.120 -0.003 0.000 0.314 363 V C 0.149 176.263 176.094 0.032 0.000 1.138 363 V CA -0.741 61.585 62.300 0.044 0.000 1.034 363 V CB 2.330 34.171 31.823 0.030 0.000 1.075 363 V HN 0.708 nan 8.190 nan 0.000 0.442 364 R N 0.225 120.739 120.500 0.023 0.000 2.279 364 R HA 0.341 4.680 4.340 -0.003 0.000 0.195 364 R C -0.204 176.109 176.300 0.023 0.000 0.905 364 R CA 0.883 56.995 56.100 0.021 0.000 1.044 364 R CB 0.269 30.578 30.300 0.016 0.000 1.056 364 R HN 1.061 nan 8.270 nan 0.000 0.535 365 D N -2.981 117.431 120.400 0.020 0.000 2.744 365 D HA 0.358 4.997 4.640 -0.003 0.000 0.304 365 D C 0.268 176.583 176.300 0.024 0.000 1.179 365 D CA -0.455 53.559 54.000 0.024 0.000 1.024 365 D CB 0.487 41.299 40.800 0.019 0.000 1.453 365 D HN -0.154 nan 8.370 nan 0.000 0.529 366 A N -0.180 122.657 122.820 0.028 0.000 1.897 366 A HA -0.093 4.225 4.320 -0.003 0.000 0.215 366 A C 1.676 179.268 177.584 0.013 0.000 1.181 366 A CA 1.471 53.525 52.037 0.028 0.000 0.620 366 A CB -1.210 17.813 19.000 0.039 0.000 0.821 366 A HN 0.577 nan 8.150 nan 0.000 0.443 367 N N 0.319 119.022 118.700 0.006 0.000 2.104 367 N HA -0.150 4.589 4.740 -0.003 0.000 0.190 367 N C 1.624 177.122 175.510 -0.020 0.000 1.024 367 N CA 1.756 54.802 53.050 -0.006 0.000 0.853 367 N CB -0.303 38.180 38.487 -0.007 0.000 1.008 367 N HN 0.658 nan 8.380 nan 0.000 0.424 368 E N 0.400 120.587 120.200 -0.021 0.000 2.058 368 E HA -0.163 4.185 4.350 -0.003 0.000 0.194 368 E C 2.028 178.595 176.600 -0.055 0.000 0.997 368 E CA 1.144 57.518 56.400 -0.044 0.000 0.801 368 E CB -0.199 29.482 29.700 -0.032 0.000 0.746 368 E HN 0.425 nan 8.360 nan 0.000 0.450 369 A N 1.024 123.830 122.820 -0.023 0.000 1.908 369 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 369 A C 2.516 180.089 177.584 -0.019 0.000 1.181 369 A CA 1.376 53.406 52.037 -0.013 0.000 0.627 369 A CB -0.699 18.311 19.000 0.017 0.000 0.818 369 A HN 0.131 nan 8.150 nan 0.000 0.445 370 V N -0.056 119.849 119.914 -0.015 0.000 2.358 370 V HA -0.260 3.859 4.120 -0.003 0.000 0.246 370 V C 2.488 178.566 176.094 -0.026 0.000 1.047 370 V CA 2.210 64.502 62.300 -0.013 0.000 1.035 370 V CB -0.722 31.093 31.823 -0.013 0.000 0.658 370 V HN 0.776 nan 8.190 nan 0.000 0.452 371 E N 0.618 120.789 120.200 -0.047 0.000 2.038 371 E HA -0.232 4.116 4.350 -0.003 0.000 0.195 371 E C 2.229 178.789 176.600 -0.067 0.000 1.000 371 E CA 2.358 58.723 56.400 -0.059 0.000 0.803 371 E CB -0.095 29.548 29.700 -0.095 0.000 0.750 371 E HN 0.553 nan 8.360 nan 0.000 0.448 372 V N -0.073 119.749 119.914 -0.153 0.000 2.343 372 V HA -0.219 3.900 4.120 -0.003 0.000 0.247 372 V C 2.578 178.654 176.094 -0.030 0.000 1.051 372 V CA 1.800 63.959 62.300 -0.236 0.000 1.036 372 V CB -1.473 30.065 31.823 -0.475 0.000 0.654 372 V HN 0.331 nan 8.190 nan 0.000 0.451 373 V N -0.787 119.124 119.914 -0.004 0.000 2.343 373 V HA -0.197 3.921 4.120 -0.003 0.000 0.247 373 V C 2.516 178.631 176.094 0.035 0.000 1.051 373 V CA 2.207 64.528 62.300 0.035 0.000 1.036 373 V CB -1.169 30.673 31.823 0.032 0.000 0.654 373 V HN 0.477 nan 8.190 nan 0.000 0.451 374 L N -1.198 120.041 121.223 0.027 0.000 2.017 374 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 374 L C 2.670 179.569 176.870 0.048 0.000 1.073 374 L CA 2.482 57.334 54.840 0.020 0.000 0.745 374 L CB -0.900 41.168 42.059 0.016 0.000 0.894 374 L HN 0.426 nan 8.230 nan 0.000 0.432 375 Y N 0.862 121.142 120.300 -0.032 0.000 2.070 375 Y HA -0.295 4.251 4.550 -0.006 0.000 0.280 375 Y C 2.388 178.343 175.900 0.091 0.000 1.148 375 Y CA 1.673 59.802 58.100 0.049 0.000 1.125 375 Y CB -0.506 37.956 38.460 0.004 0.000 0.975 375 Y HN -0.034 nan 8.280 nan 0.000 0.492 376 L N -0.905 120.348 121.223 0.050 0.000 2.042 376 L HA -0.271 4.068 4.340 -0.003 0.000 0.210 376 L C 2.390 179.227 176.870 -0.056 0.000 1.076 376 L CA 1.057 55.897 54.840 -0.000 0.000 0.749 376 L CB -0.727 41.413 42.059 0.136 0.000 0.893 376 L HN 0.269 nan 8.230 nan 0.000 0.432 377 L N 0.164 121.361 121.223 -0.044 0.000 2.083 377 L HA -0.200 4.138 4.340 -0.003 0.000 0.209 377 L C 2.531 179.327 176.870 -0.122 0.000 1.083 377 L CA 1.808 56.614 54.840 -0.058 0.000 0.752 377 L CB -0.590 41.449 42.059 -0.034 0.000 0.899 377 L HN 0.356 nan 8.230 nan 0.000 0.433 378 K N -2.178 118.089 120.400 -0.221 0.000 2.361 378 K HA -0.010 4.309 4.320 -0.003 0.000 0.196 378 K C 0.291 176.604 176.600 -0.479 0.000 1.039 378 K CA 0.751 56.831 56.287 -0.346 0.000 1.001 378 K CB -0.156 32.088 32.500 -0.427 0.000 0.795 378 K HN 0.325 nan 8.250 nan 0.000 0.495 379 H N 2.003 120.929 119.070 -0.241 0.000 2.421 379 H HA 0.192 4.748 4.556 -0.001 0.000 0.241 379 H C -1.916 173.302 175.328 -0.184 0.000 1.428 379 H CA -2.131 53.755 56.048 -0.271 0.000 1.136 379 H CB 0.948 30.379 29.762 -0.552 0.000 1.612 379 H HN 0.172 nan 8.280 nan 0.000 0.537 380 P HA -0.316 nan 4.420 nan 0.000 0.218 380 P C 1.385 178.680 177.300 -0.008 0.000 1.150 380 P CA 1.471 64.558 63.100 -0.022 0.000 0.841 380 P CB 0.555 32.240 31.700 -0.026 0.000 0.784 381 E N 0.384 120.585 120.200 0.001 0.000 2.051 381 E HA -0.103 4.245 4.350 -0.003 0.000 0.192 381 E C 2.057 178.657 176.600 -0.000 0.000 0.991 381 E CA 1.237 57.638 56.400 0.001 0.000 0.799 381 E CB -1.564 28.140 29.700 0.007 0.000 0.748 381 E HN 0.125 nan 8.360 nan 0.000 0.449 382 V N 1.845 121.758 119.914 -0.001 0.000 2.427 382 V HA -0.212 3.906 4.120 -0.003 0.000 0.248 382 V C 2.620 178.730 176.094 0.028 0.000 1.051 382 V CA 1.845 64.154 62.300 0.015 0.000 1.048 382 V CB -0.553 31.279 31.823 0.015 0.000 0.666 382 V HN 0.242 nan 8.190 nan 0.000 0.456 383 S N -0.290 115.423 115.700 0.022 0.000 2.348 383 S HA -0.262 4.206 4.470 -0.003 0.000 0.221 383 S C 2.043 176.647 174.600 0.006 0.000 1.033 383 S CA 1.931 60.150 58.200 0.032 0.000 1.010 383 S CB -0.368 62.848 63.200 0.025 0.000 0.891 383 S HN 0.614 nan 8.310 nan 0.000 0.442 384 K N 1.403 121.800 120.400 -0.004 0.000 2.074 384 K HA -0.174 4.144 4.320 -0.003 0.000 0.209 384 K C 1.113 177.700 176.600 -0.021 0.000 1.048 384 K CA 1.343 57.620 56.287 -0.017 0.000 0.926 384 K CB -0.159 32.331 32.500 -0.017 0.000 0.713 384 K HN 0.257 nan 8.250 nan 0.000 0.444 388 A N 1.192 123.978 122.820 -0.055 0.000 1.933 388 A HA 0.109 4.428 4.320 -0.003 0.000 0.218 388 A C 2.121 179.677 177.584 -0.047 0.000 1.175 388 A CA 2.177 54.176 52.037 -0.063 0.000 0.628 388 A CB -0.371 18.597 19.000 -0.053 0.000 0.814 388 A HN 0.357 nan 8.150 nan 0.000 0.444 389 K N -0.383 119.995 120.400 -0.037 0.000 2.062 389 K HA 0.025 4.344 4.320 -0.003 0.000 0.205 389 K C 2.310 178.901 176.600 -0.014 0.000 1.051 389 K CA 0.990 57.260 56.287 -0.028 0.000 0.941 389 K CB -0.323 32.155 32.500 -0.037 0.000 0.719 389 K HN 0.406 nan 8.250 nan 0.000 0.440 390 A N 2.131 124.939 122.820 -0.020 0.000 1.978 390 A HA -0.209 4.109 4.320 -0.003 0.000 0.220 390 A C 2.076 179.693 177.584 0.056 0.000 1.170 390 A CA 1.570 53.610 52.037 0.006 0.000 0.636 390 A CB -0.344 18.648 19.000 -0.012 0.000 0.810 390 A HN 0.221 nan 8.150 nan 0.000 0.448 391 K N -0.672 119.740 120.400 0.019 0.000 2.057 391 K HA -0.173 4.146 4.320 -0.003 0.000 0.206 391 K C 1.977 178.650 176.600 0.122 0.000 1.050 391 K CA 1.534 57.841 56.287 0.033 0.000 0.935 391 K CB -0.078 32.325 32.500 -0.162 0.000 0.715 391 K HN 0.348 nan 8.250 nan 0.000 0.439 392 E N 0.939 121.174 120.200 0.059 0.000 2.150 392 E HA -0.155 4.193 4.350 -0.003 0.000 0.193 392 E C 1.893 178.542 176.600 0.080 0.000 0.985 392 E CA 1.085 57.528 56.400 0.072 0.000 0.814 392 E CB -0.014 29.700 29.700 0.024 0.000 0.752 392 E HN 0.229 nan 8.360 nan 0.000 0.466 393 R N -0.578 119.966 120.500 0.072 0.000 2.120 393 R HA -0.076 4.262 4.340 -0.003 0.000 0.234 393 R C 1.837 178.200 176.300 0.104 0.000 1.123 393 R CA 1.385 57.519 56.100 0.057 0.000 0.975 393 R CB -0.068 30.269 30.300 0.062 0.000 0.866 393 R HN 0.118 nan 8.270 nan 0.000 0.446 394 V N 0.639 120.694 119.914 0.236 0.000 2.488 394 V HA -0.102 4.016 4.120 -0.003 0.000 0.246 394 V C 2.466 178.675 176.094 0.190 0.000 1.046 394 V CA 1.757 64.257 62.300 0.334 0.000 1.053 394 V CB -0.575 31.519 31.823 0.452 0.000 0.679 394 V HN 0.382 nan 8.190 nan 0.000 0.458 395 R N 0.797 121.459 120.500 0.268 0.000 2.073 395 R HA -0.163 4.175 4.340 -0.003 0.000 0.234 395 R C 2.174 178.498 176.300 0.040 0.000 1.134 395 R CA 1.703 57.932 56.100 0.216 0.000 0.952 395 R CB -0.112 30.374 30.300 0.309 0.000 0.850 395 R HN 0.418 nan 8.270 nan 0.000 0.433 396 K N -0.713 119.686 120.400 -0.001 0.000 2.418 396 K HA 0.066 4.384 4.320 -0.003 0.000 0.195 396 K C 1.064 177.549 176.600 -0.191 0.000 1.035 396 K CA 0.589 56.832 56.287 -0.074 0.000 1.003 396 K CB 0.285 32.749 32.500 -0.060 0.000 0.793 396 K HN 0.272 nan 8.250 nan 0.000 0.494 397 N N -0.800 117.709 118.700 -0.319 0.000 2.430 397 N HA 0.105 4.843 4.740 -0.003 0.000 0.235 397 N C 0.212 175.168 175.510 -0.924 0.000 1.108 397 N CA 0.510 53.120 53.050 -0.734 0.000 0.834 397 N CB 0.681 38.441 38.487 -1.211 0.000 1.430 397 N HN 0.028 nan 8.380 nan 0.000 0.463 398 F N 1.805 121.754 119.950 -0.001 0.000 2.814 398 F HA 0.440 4.964 4.527 -0.004 0.000 0.326 398 F C 0.587 176.319 175.800 -0.113 0.000 1.159 398 F CA -0.690 57.297 58.000 -0.022 0.000 1.234 398 F CB 0.295 39.333 39.000 0.062 0.000 1.016 398 F HN -0.148 nan 8.300 nan 0.000 0.510 399 I N -1.663 118.866 120.570 -0.069 0.000 2.677 399 I HA 0.334 4.502 4.170 -0.003 0.000 0.305 399 I C 1.557 177.573 176.117 -0.169 0.000 0.988 399 I CA -0.714 60.472 61.300 -0.191 0.000 1.260 399 I CB 1.676 39.501 38.000 -0.292 0.000 1.410 399 I HN 0.130 nan 8.210 nan 0.000 0.523 400 I N 2.171 122.611 120.570 -0.216 0.000 2.399 400 I HA -0.306 3.862 4.170 -0.003 0.000 0.254 400 I C 2.324 178.317 176.117 -0.207 0.000 1.146 400 I CA 2.362 63.546 61.300 -0.192 0.000 1.412 400 I CB 0.117 37.983 38.000 -0.224 0.000 1.076 400 I HN 1.030 nan 8.210 nan 0.000 0.432 401 T N -1.971 112.393 114.554 -0.317 0.000 2.896 401 T HA -0.172 4.176 4.350 -0.003 0.000 0.263 401 T C 1.871 176.468 174.700 -0.172 0.000 1.050 401 T CA 1.147 63.068 62.100 -0.299 0.000 1.140 401 T CB -0.236 68.419 68.868 -0.355 0.000 0.877 401 T HN 0.144 nan 8.240 nan 0.000 0.457 402 K N 0.898 121.213 120.400 -0.142 0.000 2.155 402 K HA 0.008 4.326 4.320 -0.003 0.000 0.203 402 K C 1.204 177.742 176.600 -0.103 0.000 1.052 402 K CA 0.544 56.762 56.287 -0.115 0.000 0.948 402 K CB -0.723 31.702 32.500 -0.125 0.000 0.728 402 K HN 0.690 nan 8.250 nan 0.000 0.448 406 R N 0.038 120.459 120.500 -0.131 0.000 2.152 406 R HA 0.003 4.341 4.340 -0.003 0.000 0.232 406 R C 1.819 178.081 176.300 -0.063 0.000 1.117 406 R CA 1.739 57.762 56.100 -0.129 0.000 0.981 406 R CB -0.213 29.960 30.300 -0.211 0.000 0.870 406 R HN 0.351 nan 8.270 nan 0.000 0.451 407 Y N -0.373 119.839 120.300 -0.147 0.000 2.184 407 Y HA -0.186 4.363 4.550 -0.002 0.000 0.290 407 Y C 1.942 177.836 175.900 -0.009 0.000 1.129 407 Y CA 0.758 58.818 58.100 -0.067 0.000 1.144 407 Y CB 0.042 38.465 38.460 -0.061 0.000 0.995 407 Y HN 0.006 nan 8.280 nan 0.000 0.513 408 L N 0.000 121.306 121.223 0.138 0.000 1.963 408 L HA -0.364 3.974 4.340 -0.003 0.000 0.220 408 L C 1.977 178.873 176.870 0.043 0.000 1.076 408 L CA 1.702 56.575 54.840 0.055 0.000 0.772 408 L CB -0.843 41.222 42.059 0.010 0.000 0.892 408 L HN 0.255 nan 8.230 nan 0.000 0.435 409 D N 0.377 120.798 120.400 0.034 0.000 2.242 409 D HA -0.267 4.371 4.640 -0.003 0.000 0.193 409 D C 2.122 178.452 176.300 0.049 0.000 1.005 409 D CA 1.784 55.802 54.000 0.030 0.000 0.856 409 D CB -0.621 40.190 40.800 0.018 0.000 1.001 409 D HN 0.309 nan 8.370 nan 0.000 0.452 410 I N 0.502 121.115 120.570 0.072 0.000 2.191 410 I HA -0.279 3.889 4.170 -0.003 0.000 0.248 410 I C 1.480 177.648 176.117 0.086 0.000 1.061 410 I CA 0.866 62.220 61.300 0.090 0.000 1.329 410 I CB -0.377 37.712 38.000 0.149 0.000 1.024 410 I HN 0.066 nan 8.210 nan 0.000 0.423 411 L N 1.723 122.985 121.223 0.064 0.000 2.974 411 L HA -0.032 4.306 4.340 -0.003 0.000 0.250 411 L C 0.483 177.421 176.870 0.114 0.000 1.376 411 L CA -0.176 54.699 54.840 0.058 0.000 1.170 411 L CB -1.621 40.299 42.059 -0.232 0.000 1.577 411 L HN 0.311 nan 8.230 nan 0.000 0.429 412 N N 0.000 118.763 118.700 0.106 0.000 1.763 412 N HA 0.000 4.738 4.740 -0.003 0.000 0.220 412 N CA 0.000 53.101 53.050 0.084 0.000 0.885 412 N CB 0.000 38.521 38.487 0.057 0.000 1.341 412 N HN 0.000 nan 8.380 nan 0.000 0.667