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 2d1c_1_B DATA FIRST_RESID 2 DATA SEQUENCE PLITTETGKK MHVLEDGRKL ITVIPGDGIG PECVEATLKV LEAAKAPLAY DATA SEQUENCE EVREAGASVF RRGIASGVPQ ETIESIRKTR VVLKGPLETP VGYGEKSANV DATA SEQUENCE TLRKLFETYA NVRPVREFPN VPTPYAGRGI DLVVVRENVE DLYAGIEHMQ DATA SEQUENCE TPSVAQTLKL ISWKGSEKIV RFAFELARAE GRKKVHCATK SNIMKLAEGT DATA SEQUENCE LKRAFEQVAQ EYPDIEAVHI IVDNAAHQLV KRPEQFEVIV TTNMNGDILS DATA SEQUENCE DLTSGLIGGL GFAPSANIGN EVAIFEAVHG SAPKYAGKNV INPTAVLLSA DATA SEQUENCE VMMLRYLEEF ATADLIENAL LYTLEEGRVL TGDVVGYDRG AKTTEYTEAI DATA SEQUENCE IQNLGKTPRK TQVRGYKPFR LPQVDGAIAP IVPRSRRVVG VDVFVETNLL DATA SEQUENCE PEALGKALED LAAGTPFRLK MISNRGTQVY PPTGGLTDLV DHYRCRFLYT DATA SEQUENCE GEGEAKDPEI LDLVSRVASR FRWMHLEKLQ EFDGEPGFTK AQGED 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 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 176.916 177.300 -0.640 0.000 1.155 2 P CA 0.000 62.816 63.100 -0.473 0.000 0.800 2 P CB 0.000 31.587 31.700 -0.187 0.000 0.726 3 L N 2.215 123.152 121.223 -0.477 0.000 2.410 3 L HA 0.550 4.890 4.340 -0.001 0.000 0.273 3 L C 0.063 176.859 176.870 -0.122 0.000 1.144 3 L CA 0.078 54.778 54.840 -0.233 0.000 0.863 3 L CB -0.295 41.742 42.059 -0.036 0.000 1.140 3 L HN 0.419 nan 8.230 nan 0.000 0.463 4 I N 0.479 120.997 120.570 -0.087 0.000 2.957 4 I HA 0.630 4.800 4.170 -0.001 0.000 0.310 4 I C -0.626 175.478 176.117 -0.022 0.000 1.063 4 I CA -0.605 60.664 61.300 -0.052 0.000 1.033 4 I CB 2.341 40.305 38.000 -0.059 0.000 1.230 4 I HN 0.397 nan 8.210 nan 0.000 0.447 5 T N 2.155 116.700 114.554 -0.015 0.000 2.772 5 T HA 0.394 4.744 4.350 -0.001 0.000 0.288 5 T C 0.165 174.856 174.700 -0.014 0.000 0.994 5 T CA -0.494 61.602 62.100 -0.005 0.000 0.951 5 T CB 1.020 69.892 68.868 0.007 0.000 0.933 5 T HN 0.858 nan 8.240 nan 0.000 0.447 6 T N 1.098 115.637 114.554 -0.026 0.000 2.828 6 T HA 0.205 4.555 4.350 -0.001 0.000 0.290 6 T C 1.157 175.846 174.700 -0.019 0.000 1.019 6 T CA -0.807 61.275 62.100 -0.031 0.000 1.031 6 T CB 0.785 69.619 68.868 -0.057 0.000 1.001 6 T HN 0.373 nan 8.240 nan 0.000 0.531 7 E N 0.187 120.380 120.200 -0.012 0.000 2.510 7 E HA -0.066 4.284 4.350 -0.001 0.000 0.202 7 E C 1.728 178.327 176.600 -0.001 0.000 1.072 7 E CA 0.815 57.213 56.400 -0.002 0.000 0.883 7 E CB -0.440 29.262 29.700 0.002 0.000 0.818 7 E HN 0.845 nan 8.360 nan 0.000 0.548 8 T N -1.823 112.722 114.554 -0.015 0.000 3.069 8 T HA 0.289 4.639 4.350 -0.001 0.000 0.252 8 T C 1.275 175.963 174.700 -0.020 0.000 1.053 8 T CA 0.960 63.048 62.100 -0.020 0.000 0.964 8 T CB 0.099 68.941 68.868 -0.044 0.000 1.005 8 T HN 0.297 nan 8.240 nan 0.000 0.532 9 G N 1.403 110.196 108.800 -0.012 0.000 2.234 9 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.235 9 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.235 9 G C 0.020 174.921 174.900 0.002 0.000 0.997 9 G CA 0.107 45.213 45.100 0.009 0.000 0.623 9 G HN 0.600 nan 8.290 nan 0.000 0.514 10 K N 1.135 121.502 120.400 -0.055 0.000 2.326 10 K HA 0.508 4.827 4.320 -0.001 0.000 0.275 10 K C 0.315 176.905 176.600 -0.017 0.000 1.018 10 K CA 0.130 56.374 56.287 -0.072 0.000 0.962 10 K CB 0.708 33.003 32.500 -0.341 0.000 0.953 10 K HN 0.211 nan 8.250 nan 0.000 0.475 11 K N 3.730 124.167 120.400 0.062 0.000 2.185 11 K HA 0.448 4.768 4.320 -0.001 0.000 0.269 11 K C -0.361 176.298 176.600 0.099 0.000 0.987 11 K CA -0.485 55.841 56.287 0.064 0.000 0.865 11 K CB 1.262 33.806 32.500 0.074 0.000 1.090 11 K HN 0.586 nan 8.250 nan 0.000 0.450 12 M N -0.160 119.476 119.600 0.061 0.000 2.520 12 M HA 0.321 4.801 4.480 -0.001 0.000 0.283 12 M C -1.294 175.042 176.300 0.061 0.000 1.237 12 M CA -0.974 54.377 55.300 0.085 0.000 0.885 12 M CB 1.975 34.617 32.600 0.070 0.000 1.727 12 M HN 0.503 nan 8.290 nan 0.000 0.468 13 H N 0.978 120.050 119.070 0.002 0.000 2.761 13 H HA 0.619 5.174 4.556 -0.001 0.000 0.284 13 H C -1.586 173.727 175.328 -0.026 0.000 1.105 13 H CA -0.099 55.941 56.048 -0.013 0.000 1.352 13 H CB 0.885 30.636 29.762 -0.018 0.000 1.423 13 H HN 0.533 nan 8.280 nan 0.000 0.464 14 V N 7.669 127.530 119.914 -0.088 0.000 2.347 14 V HA 0.151 4.271 4.120 -0.001 0.000 0.280 14 V C 0.285 176.356 176.094 -0.039 0.000 1.021 14 V CA -0.682 61.595 62.300 -0.039 0.000 0.847 14 V CB 0.962 32.749 31.823 -0.060 0.000 0.990 14 V HN 0.680 nan 8.190 nan 0.000 0.444 15 L N 3.712 124.952 121.223 0.029 0.000 2.475 15 L HA 0.239 4.579 4.340 -0.001 0.000 0.253 15 L C 1.962 178.828 176.870 -0.006 0.000 1.198 15 L CA -0.211 54.648 54.840 0.032 0.000 0.814 15 L CB 0.464 42.545 42.059 0.037 0.000 1.134 15 L HN 0.843 nan 8.230 nan 0.000 0.478 16 E N 0.328 120.527 120.200 -0.003 0.000 2.130 16 E HA -0.282 4.067 4.350 -0.001 0.000 0.196 16 E C 0.566 177.158 176.600 -0.013 0.000 0.998 16 E CA 1.903 58.297 56.400 -0.011 0.000 0.806 16 E CB -0.395 29.302 29.700 -0.005 0.000 0.738 16 E HN 0.844 nan 8.360 nan 0.000 0.459 17 D N -0.834 119.558 120.400 -0.013 0.000 2.319 17 D HA 0.182 4.822 4.640 -0.001 0.000 0.230 17 D C 1.241 177.527 176.300 -0.022 0.000 1.094 17 D CA 0.383 54.373 54.000 -0.017 0.000 0.856 17 D CB 0.638 41.428 40.800 -0.018 0.000 0.915 17 D HN 0.364 nan 8.370 nan 0.000 0.517 18 G N 0.290 109.076 108.800 -0.023 0.000 2.205 18 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.261 18 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.261 18 G C 0.430 175.309 174.900 -0.036 0.000 0.980 18 G CA -0.122 44.961 45.100 -0.028 0.000 0.632 18 G HN 0.428 nan 8.290 nan 0.000 0.533 19 R N 0.899 121.374 120.500 -0.040 0.000 2.590 19 R HA 0.334 4.673 4.340 -0.001 0.000 0.274 19 R C 0.227 176.497 176.300 -0.050 0.000 1.061 19 R CA 0.201 56.264 56.100 -0.062 0.000 1.081 19 R CB 0.386 30.638 30.300 -0.079 0.000 0.984 19 R HN 0.179 nan 8.270 nan 0.000 0.448 20 K N 3.602 123.959 120.400 -0.072 0.000 2.253 20 K HA 0.159 4.479 4.320 -0.001 0.000 0.277 20 K C -0.429 176.129 176.600 -0.071 0.000 1.053 20 K CA -0.819 55.443 56.287 -0.041 0.000 0.892 20 K CB 1.216 33.690 32.500 -0.043 0.000 1.102 20 K HN 0.213 nan 8.250 nan 0.000 0.469 21 L N 5.778 126.995 121.223 -0.010 0.000 2.360 21 L HA 0.315 4.655 4.340 -0.001 0.000 0.276 21 L C -0.258 176.575 176.870 -0.061 0.000 1.121 21 L CA -0.007 54.785 54.840 -0.081 0.000 0.845 21 L CB 0.143 42.124 42.059 -0.130 0.000 1.143 21 L HN 0.592 nan 8.230 nan 0.000 0.452 22 I N 0.487 121.019 120.570 -0.063 0.000 2.892 22 I HA 0.597 4.766 4.170 -0.001 0.000 0.306 22 I C -0.451 175.674 176.117 0.014 0.000 1.078 22 I CA -0.637 60.661 61.300 -0.002 0.000 1.032 22 I CB 2.240 40.271 38.000 0.051 0.000 1.229 22 I HN 0.384 nan 8.210 nan 0.000 0.435 23 T N 3.367 117.920 114.554 -0.003 0.000 2.806 23 T HA 0.527 4.877 4.350 -0.001 0.000 0.290 23 T C -0.267 174.443 174.700 0.017 0.000 0.966 23 T CA -0.370 61.723 62.100 -0.012 0.000 1.060 23 T CB 1.537 70.368 68.868 -0.061 0.000 0.927 23 T HN 0.400 nan 8.240 nan 0.000 0.485 24 V N 4.900 124.827 119.914 0.022 0.000 2.487 24 V HA 0.474 4.593 4.120 -0.001 0.000 0.298 24 V C -0.272 175.807 176.094 -0.025 0.000 1.028 24 V CA -0.777 61.525 62.300 0.004 0.000 0.860 24 V CB 1.506 33.323 31.823 -0.009 0.000 0.991 24 V HN 0.798 nan 8.190 nan 0.000 0.427 25 I N 7.059 127.608 120.570 -0.035 0.000 2.390 25 I HA 0.301 4.471 4.170 -0.001 0.000 0.283 25 I C -1.701 174.387 176.117 -0.048 0.000 1.016 25 I CA -1.819 59.455 61.300 -0.044 0.000 1.151 25 I CB 2.175 40.146 38.000 -0.048 0.000 1.293 25 I HN 0.423 nan 8.210 nan 0.000 0.458 26 P HA -0.106 nan 4.420 nan 0.000 0.215 26 P C 0.871 178.146 177.300 -0.041 0.000 1.153 26 P CA 1.271 64.343 63.100 -0.047 0.000 0.853 26 P CB 0.223 31.896 31.700 -0.046 0.000 0.788 27 G N -1.035 107.735 108.800 -0.051 0.000 2.615 27 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.218 27 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.218 27 G C -1.228 173.645 174.900 -0.045 0.000 1.339 27 G CA -0.288 44.781 45.100 -0.052 0.000 0.884 27 G HN 0.150 nan 8.290 nan 0.000 0.559 28 D N 0.300 120.680 120.400 -0.033 0.000 2.414 28 D HA 0.612 5.251 4.640 -0.001 0.000 0.241 28 D C 1.242 177.543 176.300 0.001 0.000 1.008 28 D CA 0.937 54.924 54.000 -0.021 0.000 1.001 28 D CB 0.993 41.778 40.800 -0.025 0.000 1.277 28 D HN 1.793 nan 8.370 nan 0.000 0.538 29 G N 0.968 109.769 108.800 0.003 0.000 2.660 29 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.321 29 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.321 29 G C 1.192 176.100 174.900 0.015 0.000 1.246 29 G CA 0.854 45.960 45.100 0.011 0.000 1.000 29 G HN 0.712 nan 8.290 nan 0.000 0.550 30 I N 0.373 120.959 120.570 0.026 0.000 3.001 30 I HA 0.249 4.419 4.170 -0.001 0.000 0.268 30 I C 2.483 178.616 176.117 0.027 0.000 1.267 30 I CA 1.612 62.924 61.300 0.021 0.000 1.472 30 I CB -1.041 36.959 38.000 0.001 0.000 1.089 30 I HN 0.687 nan 8.210 nan 0.000 0.468 31 G N 2.821 111.644 108.800 0.038 0.000 2.719 31 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.219 31 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.219 31 G C -0.363 174.540 174.900 0.006 0.000 1.234 31 G CA 1.570 46.688 45.100 0.030 0.000 0.788 31 G HN 0.373 nan 8.290 nan 0.000 0.619 32 P HA -0.093 nan 4.420 nan 0.000 0.216 32 P C 1.677 178.966 177.300 -0.019 0.000 1.154 32 P CA 1.751 64.839 63.100 -0.020 0.000 0.865 32 P CB -0.081 31.608 31.700 -0.020 0.000 0.789 33 E N -1.395 118.799 120.200 -0.010 0.000 2.047 33 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 33 E C 2.038 178.633 176.600 -0.010 0.000 0.987 33 E CA 1.288 57.682 56.400 -0.011 0.000 0.799 33 E CB -0.701 28.995 29.700 -0.008 0.000 0.752 33 E HN 0.246 nan 8.360 nan 0.000 0.449 34 C N 0.338 119.638 119.300 -0.000 0.000 2.440 34 C HA -0.064 4.396 4.460 -0.001 0.000 0.278 34 C C 2.723 177.710 174.990 -0.005 0.000 1.295 34 C CA 0.232 59.256 59.018 0.010 0.000 1.738 34 C CB -0.568 27.204 27.740 0.054 0.000 1.987 34 C HN 0.249 nan 8.230 nan 0.000 0.492 35 V N 0.713 120.615 119.914 -0.019 0.000 2.323 35 V HA -0.198 3.922 4.120 -0.001 0.000 0.244 35 V C 2.464 178.515 176.094 -0.071 0.000 1.041 35 V CA 2.164 64.435 62.300 -0.048 0.000 1.025 35 V CB -0.768 31.022 31.823 -0.055 0.000 0.656 35 V HN 0.609 nan 8.190 nan 0.000 0.451 36 E N 0.528 120.693 120.200 -0.059 0.000 2.070 36 E HA -0.279 4.070 4.350 -0.001 0.000 0.197 36 E C 2.212 178.777 176.600 -0.059 0.000 1.004 36 E CA 1.709 58.070 56.400 -0.065 0.000 0.805 36 E CB -0.256 29.418 29.700 -0.044 0.000 0.744 36 E HN 0.544 nan 8.360 nan 0.000 0.451 37 A N 0.356 123.155 122.820 -0.035 0.000 1.865 37 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 37 A C 2.461 180.023 177.584 -0.036 0.000 1.191 37 A CA 2.307 54.331 52.037 -0.022 0.000 0.623 37 A CB -1.246 17.757 19.000 0.006 0.000 0.826 37 A HN 0.397 nan 8.150 nan 0.000 0.444 38 T N 0.737 115.269 114.554 -0.038 0.000 2.685 38 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 38 T C 1.770 176.425 174.700 -0.075 0.000 1.034 38 T CA 1.699 63.772 62.100 -0.045 0.000 1.149 38 T CB -0.505 68.338 68.868 -0.043 0.000 0.860 38 T HN 0.374 nan 8.240 nan 0.000 0.449 39 L N 0.222 121.368 121.223 -0.127 0.000 2.131 39 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 39 L C 2.642 179.444 176.870 -0.112 0.000 1.092 39 L CA 1.335 56.053 54.840 -0.204 0.000 0.759 39 L CB -0.463 41.407 42.059 -0.314 0.000 0.903 39 L HN 0.258 nan 8.230 nan 0.000 0.435 40 K N -0.297 120.058 120.400 -0.075 0.000 2.026 40 K HA -0.125 4.195 4.320 -0.001 0.000 0.208 40 K C 2.049 178.634 176.600 -0.026 0.000 1.048 40 K CA 1.242 57.504 56.287 -0.042 0.000 0.929 40 K CB -0.256 32.224 32.500 -0.034 0.000 0.713 40 K HN 0.085 nan 8.250 nan 0.000 0.439 41 V N 2.056 121.952 119.914 -0.029 0.000 2.407 41 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 41 V C 2.248 178.339 176.094 -0.005 0.000 1.055 41 V CA 1.550 63.837 62.300 -0.021 0.000 1.049 41 V CB -0.489 31.318 31.823 -0.028 0.000 0.662 41 V HN 0.264 nan 8.190 nan 0.000 0.455 42 L N -0.414 120.810 121.223 0.001 0.000 1.994 42 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 42 L C 2.812 179.717 176.870 0.060 0.000 1.071 42 L CA 1.554 56.418 54.840 0.040 0.000 0.745 42 L CB -0.698 41.409 42.059 0.081 0.000 0.892 42 L HN 0.314 nan 8.230 nan 0.000 0.431 43 E N 0.207 120.443 120.200 0.060 0.000 2.085 43 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 43 E C 2.258 178.877 176.600 0.032 0.000 0.994 43 E CA 1.438 57.878 56.400 0.065 0.000 0.801 43 E CB -0.238 29.494 29.700 0.054 0.000 0.743 43 E HN 0.501 nan 8.360 nan 0.000 0.453 44 A N 1.452 124.281 122.820 0.015 0.000 1.933 44 A HA -0.030 4.290 4.320 -0.001 0.000 0.218 44 A C 2.305 179.892 177.584 0.005 0.000 1.175 44 A CA 1.721 53.762 52.037 0.005 0.000 0.628 44 A CB -0.387 18.611 19.000 -0.004 0.000 0.814 44 A HN 0.240 nan 8.150 nan 0.000 0.444 45 A N -1.475 121.349 122.820 0.007 0.000 2.235 45 A HA 0.211 4.531 4.320 -0.001 0.000 0.208 45 A C 0.878 178.466 177.584 0.007 0.000 1.172 45 A CA 0.804 52.844 52.037 0.005 0.000 0.786 45 A CB -0.245 18.757 19.000 0.005 0.000 0.804 45 A HN 0.332 nan 8.150 nan 0.000 0.479 46 K N -1.812 118.596 120.400 0.013 0.000 3.069 46 K HA -0.204 4.115 4.320 -0.001 0.000 0.267 46 K C 0.297 176.900 176.600 0.005 0.000 1.082 46 K CA 0.831 57.124 56.287 0.011 0.000 0.782 46 K CB -2.928 29.573 32.500 0.002 0.000 1.230 46 K HN 0.999 nan 8.250 nan 0.000 0.488 47 A N 1.964 124.793 122.820 0.016 0.000 2.546 47 A HA 0.178 4.498 4.320 -0.001 0.000 0.243 47 A C -1.038 176.530 177.584 -0.026 0.000 1.063 47 A CA -0.521 51.517 52.037 0.001 0.000 0.757 47 A CB -0.047 18.970 19.000 0.029 0.000 0.991 47 A HN 0.098 nan 8.150 nan 0.000 0.503 48 P HA 0.225 nan 4.420 nan 0.000 0.231 48 P C -0.933 176.294 177.300 -0.122 0.000 1.756 48 P CA 0.494 63.551 63.100 -0.073 0.000 0.990 48 P CB -0.443 31.222 31.700 -0.058 0.000 1.973 49 L N 0.602 121.709 121.223 -0.194 0.000 2.354 49 L HA 0.813 5.153 4.340 -0.001 0.000 0.269 49 L C 0.190 176.679 176.870 -0.634 0.000 1.005 49 L CA -1.177 53.439 54.840 -0.373 0.000 0.819 49 L CB 2.247 44.070 42.059 -0.393 0.000 1.311 49 L HN -0.011 nan 8.230 nan 0.000 0.423 50 A N 1.469 123.931 122.820 -0.596 0.000 2.342 50 A HA 0.806 5.126 4.320 -0.001 0.000 0.323 50 A C -1.684 175.545 177.584 -0.592 0.000 1.125 50 A CA -0.351 51.378 52.037 -0.514 0.000 0.785 50 A CB 0.815 19.680 19.000 -0.226 0.000 1.221 50 A HN 0.523 nan 8.150 nan 0.000 0.463 51 Y N 0.256 120.536 120.300 -0.034 0.000 2.352 51 Y HA 0.555 5.104 4.550 -0.001 0.000 0.339 51 Y C 0.279 176.151 175.900 -0.047 0.000 0.992 51 Y CA -0.686 57.390 58.100 -0.040 0.000 1.100 51 Y CB 1.856 40.296 38.460 -0.033 0.000 1.192 51 Y HN 0.733 nan 8.280 nan 0.000 0.458 52 E N 2.630 122.884 120.200 0.091 0.000 2.149 52 E HA 0.463 4.812 4.350 -0.001 0.000 0.255 52 E C -1.496 175.121 176.600 0.028 0.000 0.888 52 E CA -0.508 55.906 56.400 0.023 0.000 0.742 52 E CB 0.912 30.590 29.700 -0.037 0.000 1.164 52 E HN 0.489 nan 8.360 nan 0.000 0.422 53 V N 5.569 125.498 119.914 0.025 0.000 2.488 53 V HA 0.364 4.484 4.120 -0.001 0.000 0.277 53 V C 0.347 176.433 176.094 -0.013 0.000 1.046 53 V CA -0.175 62.126 62.300 0.001 0.000 0.986 53 V CB 0.728 32.546 31.823 -0.008 0.000 0.989 53 V HN 0.582 nan 8.190 nan 0.000 0.475 54 R N 2.989 123.476 120.500 -0.022 0.000 2.808 54 R HA 0.585 4.925 4.340 -0.001 0.000 0.272 54 R C -0.947 175.331 176.300 -0.036 0.000 0.995 54 R CA -0.882 55.202 56.100 -0.026 0.000 0.917 54 R CB 2.206 32.491 30.300 -0.025 0.000 1.217 54 R HN 0.594 nan 8.270 nan 0.000 0.471 55 E N 0.477 120.652 120.200 -0.041 0.000 2.227 55 E HA 0.776 5.125 4.350 -0.001 0.000 0.268 55 E C -0.769 175.785 176.600 -0.076 0.000 0.990 55 E CA -0.857 55.507 56.400 -0.059 0.000 0.856 55 E CB 2.186 31.849 29.700 -0.061 0.000 1.159 55 E HN 0.661 nan 8.360 nan 0.000 0.401 56 A N -0.004 122.749 122.820 -0.112 0.000 2.605 56 A HA 0.746 5.065 4.320 -0.001 0.000 0.294 56 A C 0.011 177.447 177.584 -0.246 0.000 1.062 56 A CA 0.042 51.985 52.037 -0.157 0.000 0.682 56 A CB 1.480 20.418 19.000 -0.103 0.000 1.278 56 A HN 0.879 nan 8.150 nan 0.000 0.410 57 G N -0.421 108.118 108.800 -0.436 0.000 2.451 57 G HA2 0.370 4.329 3.960 -0.001 0.000 0.208 57 G HA3 0.370 4.329 3.960 -0.001 0.000 0.208 57 G C 1.156 175.488 174.900 -0.945 0.000 1.248 57 G CA 0.997 45.729 45.100 -0.613 0.000 0.989 57 G HN 2.257 nan 8.290 nan 0.000 0.559 58 A N -0.387 122.124 122.820 -0.516 0.000 1.917 58 A HA 0.042 4.362 4.320 -0.001 0.000 0.219 58 A C 2.913 180.423 177.584 -0.123 0.000 1.182 58 A CA 3.899 55.826 52.037 -0.183 0.000 0.633 58 A CB -1.155 17.863 19.000 0.031 0.000 0.819 58 A HN 2.433 nan 8.150 nan 0.000 0.448 59 S N -0.603 115.015 115.700 -0.137 0.000 2.419 59 S HA -0.115 4.355 4.470 -0.001 0.000 0.235 59 S C 1.671 176.223 174.600 -0.080 0.000 1.019 59 S CA 1.598 59.752 58.200 -0.076 0.000 0.982 59 S CB -0.719 62.438 63.200 -0.072 0.000 0.789 59 S HN 0.287 nan 8.310 nan 0.000 0.490 60 V N 0.494 120.304 119.914 -0.174 0.000 2.535 60 V HA 0.054 4.174 4.120 -0.001 0.000 0.246 60 V C 2.189 178.279 176.094 -0.007 0.000 1.045 60 V CA 1.118 63.344 62.300 -0.123 0.000 1.058 60 V CB -0.982 30.728 31.823 -0.187 0.000 0.689 60 V HN 0.392 nan 8.190 nan 0.000 0.461 61 F N 1.162 121.104 119.950 -0.013 0.000 2.161 61 F HA -0.116 4.410 4.527 -0.001 0.000 0.300 61 F C 2.448 178.245 175.800 -0.005 0.000 1.089 61 F CA 1.116 59.108 58.000 -0.014 0.000 1.282 61 F CB -0.864 38.123 39.000 -0.021 0.000 1.010 61 F HN 0.080 nan 8.300 nan 0.000 0.485 62 R N -0.011 120.596 120.500 0.178 0.000 2.328 62 R HA -0.035 4.304 4.340 -0.001 0.000 0.207 62 R C 1.643 177.981 176.300 0.063 0.000 1.056 62 R CA 0.413 56.574 56.100 0.101 0.000 1.016 62 R CB -0.231 30.110 30.300 0.069 0.000 0.872 62 R HN 0.304 nan 8.270 nan 0.000 0.471 63 R N -0.568 119.967 120.500 0.059 0.000 2.334 63 R HA 0.100 4.440 4.340 -0.001 0.000 0.216 63 R C 0.788 177.115 176.300 0.045 0.000 0.905 63 R CA 0.515 56.638 56.100 0.037 0.000 1.064 63 R CB 0.861 31.173 30.300 0.020 0.000 1.046 63 R HN 0.305 nan 8.270 nan 0.000 0.508 64 G N 1.460 110.300 108.800 0.067 0.000 2.132 64 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.234 64 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.234 64 G C 0.067 175.005 174.900 0.064 0.000 0.989 64 G CA -0.397 44.738 45.100 0.058 0.000 0.676 64 G HN 0.238 nan 8.290 nan 0.000 0.522 65 I N 1.373 122.000 120.570 0.094 0.000 2.347 65 I HA 0.452 4.622 4.170 -0.001 0.000 0.283 65 I C 1.704 177.928 176.117 0.178 0.000 1.058 65 I CA -0.070 61.287 61.300 0.095 0.000 1.202 65 I CB 1.103 39.142 38.000 0.065 0.000 1.386 65 I HN 0.152 nan 8.210 nan 0.000 0.475 66 A N 3.894 126.786 122.820 0.119 0.000 2.024 66 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 66 A C 2.336 180.018 177.584 0.164 0.000 1.164 66 A CA 2.185 54.277 52.037 0.091 0.000 0.643 66 A CB -0.369 18.626 19.000 -0.008 0.000 0.806 66 A HN 0.736 nan 8.150 nan 0.000 0.451 67 S N -2.007 113.795 115.700 0.170 0.000 2.489 67 S HA 0.313 4.783 4.470 -0.001 0.000 0.228 67 S C 1.618 176.398 174.600 0.300 0.000 0.995 67 S CA 1.180 59.486 58.200 0.176 0.000 0.934 67 S CB -0.490 62.755 63.200 0.076 0.000 0.771 67 S HN 1.930 nan 8.310 nan 0.000 0.522 68 G N 0.137 109.107 108.800 0.282 0.000 2.162 68 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.260 68 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.260 68 G C 0.036 174.853 174.900 -0.137 0.000 0.976 68 G CA 0.215 45.238 45.100 -0.129 0.000 0.655 68 G HN 0.975 nan 8.290 nan 0.000 0.533 69 V N 2.814 122.718 119.914 -0.017 0.000 2.340 69 V HA 0.426 4.546 4.120 -0.001 0.000 0.277 69 V C -1.539 174.560 176.094 0.009 0.000 1.017 69 V CA -1.322 60.972 62.300 -0.009 0.000 0.820 69 V CB 1.851 33.687 31.823 0.022 0.000 1.028 69 V HN 0.249 nan 8.190 nan 0.000 0.436 70 P HA 0.154 nan 4.420 nan 0.000 0.272 70 P C 0.459 177.772 177.300 0.022 0.000 1.223 70 P CA -0.174 62.931 63.100 0.008 0.000 0.784 70 P CB 1.190 32.886 31.700 -0.005 0.000 0.923 71 Q N 1.614 121.427 119.800 0.022 0.000 2.152 71 Q HA -0.200 4.140 4.340 -0.001 0.000 0.206 71 Q C 1.849 177.868 176.000 0.033 0.000 0.985 71 Q CA 1.840 57.661 55.803 0.030 0.000 0.863 71 Q CB -0.502 28.250 28.738 0.023 0.000 0.904 71 Q HN 0.665 nan 8.270 nan 0.000 0.422 72 E N -0.017 120.194 120.200 0.019 0.000 2.204 72 E HA -0.132 4.217 4.350 -0.001 0.000 0.195 72 E C 1.467 178.076 176.600 0.014 0.000 0.990 72 E CA 1.409 57.817 56.400 0.013 0.000 0.821 72 E CB -0.411 29.291 29.700 0.003 0.000 0.750 72 E HN 0.199 nan 8.360 nan 0.000 0.477 73 T N 1.630 116.196 114.554 0.020 0.000 2.896 73 T HA 0.093 4.443 4.350 -0.001 0.000 0.263 73 T C 2.071 176.806 174.700 0.058 0.000 1.050 73 T CA 0.819 62.932 62.100 0.020 0.000 1.140 73 T CB -0.098 68.779 68.868 0.016 0.000 0.877 73 T HN 0.142 nan 8.240 nan 0.000 0.457 74 I N 1.031 121.670 120.570 0.115 0.000 2.252 74 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 74 I C 2.585 178.795 176.117 0.155 0.000 1.102 74 I CA 1.330 62.774 61.300 0.240 0.000 1.385 74 I CB -0.376 37.745 38.000 0.203 0.000 1.064 74 I HN 0.306 nan 8.210 nan 0.000 0.414 75 E N 0.338 120.588 120.200 0.082 0.000 2.058 75 E HA -0.243 4.106 4.350 -0.001 0.000 0.194 75 E C 2.293 178.899 176.600 0.010 0.000 0.997 75 E CA 1.716 58.145 56.400 0.049 0.000 0.801 75 E CB -0.137 29.581 29.700 0.030 0.000 0.746 75 E HN 0.306 nan 8.360 nan 0.000 0.450 76 S N 0.404 116.096 115.700 -0.014 0.000 2.368 76 S HA -0.126 4.343 4.470 -0.001 0.000 0.225 76 S C 1.976 176.518 174.600 -0.096 0.000 1.030 76 S CA 0.841 59.008 58.200 -0.055 0.000 0.999 76 S CB -0.171 62.998 63.200 -0.051 0.000 0.844 76 S HN 0.182 nan 8.310 nan 0.000 0.459 77 I N 0.829 121.316 120.570 -0.137 0.000 2.315 77 I HA -0.106 4.064 4.170 -0.001 0.000 0.248 77 I C 2.727 178.678 176.117 -0.278 0.000 1.117 77 I CA 0.987 62.102 61.300 -0.308 0.000 1.404 77 I CB -0.279 37.329 38.000 -0.653 0.000 1.071 77 I HN 0.235 nan 8.210 nan 0.000 0.419 78 R N 0.658 121.084 120.500 -0.123 0.000 2.148 78 R HA -0.158 4.181 4.340 -0.001 0.000 0.227 78 R C 2.261 178.566 176.300 0.009 0.000 1.103 78 R CA 0.965 57.061 56.100 -0.007 0.000 0.983 78 R CB -0.155 30.203 30.300 0.096 0.000 0.874 78 R HN 0.330 nan 8.270 nan 0.000 0.451 79 K N 0.441 120.835 120.400 -0.010 0.000 2.098 79 K HA -0.072 4.247 4.320 -0.001 0.000 0.203 79 K C 1.866 178.496 176.600 0.050 0.000 1.051 79 K CA 1.704 58.003 56.287 0.021 0.000 0.957 79 K CB 0.186 32.650 32.500 -0.060 0.000 0.738 79 K HN 0.177 nan 8.250 nan 0.000 0.447 80 T N -2.146 112.382 114.554 -0.043 0.000 3.039 80 T HA 0.120 4.470 4.350 -0.001 0.000 0.250 80 T C 0.703 175.416 174.700 0.021 0.000 1.052 80 T CA -0.144 61.949 62.100 -0.012 0.000 1.125 80 T CB 0.192 69.017 68.868 -0.072 0.000 0.908 80 T HN 0.169 nan 8.240 nan 0.000 0.473 81 R N -0.163 120.306 120.500 -0.052 0.000 4.016 81 R HA -0.107 4.232 4.340 -0.001 0.000 0.385 81 R C -0.730 175.545 176.300 -0.041 0.000 1.158 81 R CA 0.705 56.770 56.100 -0.057 0.000 1.117 81 R CB -2.874 27.446 30.300 0.034 0.000 1.635 81 R HN 0.544 nan 8.270 nan 0.000 0.560 82 V N 0.555 120.450 119.914 -0.033 0.000 2.623 82 V HA 0.606 4.725 4.120 -0.001 0.000 0.304 82 V C -0.010 176.079 176.094 -0.008 0.000 1.054 82 V CA -0.826 61.480 62.300 0.011 0.000 0.882 82 V CB 2.825 34.714 31.823 0.110 0.000 1.002 82 V HN -0.082 nan 8.190 nan 0.000 0.424 83 V N 5.415 125.325 119.914 -0.007 0.000 2.709 83 V HA 0.590 4.710 4.120 -0.001 0.000 0.308 83 V C -0.933 175.210 176.094 0.082 0.000 1.062 83 V CA -0.712 61.583 62.300 -0.009 0.000 0.901 83 V CB 2.160 33.920 31.823 -0.104 0.000 1.003 83 V HN 0.680 nan 8.190 nan 0.000 0.425 84 L N 5.484 126.744 121.223 0.063 0.000 2.319 84 L HA 0.718 5.057 4.340 -0.001 0.000 0.281 84 L C -0.386 176.488 176.870 0.007 0.000 1.005 84 L CA -0.168 54.713 54.840 0.069 0.000 0.828 84 L CB 1.136 43.227 42.059 0.053 0.000 1.227 84 L HN 0.819 nan 8.230 nan 0.000 0.415 85 K N 3.346 123.739 120.400 -0.011 0.000 2.375 85 K HA 0.915 5.234 4.320 -0.001 0.000 0.249 85 K C -0.215 176.357 176.600 -0.046 0.000 0.942 85 K CA -0.774 55.490 56.287 -0.037 0.000 0.806 85 K CB 1.811 34.280 32.500 -0.051 0.000 1.227 85 K HN 0.597 nan 8.250 nan 0.000 0.430 86 G N 1.442 110.216 108.800 -0.044 0.000 2.557 86 G HA2 0.420 4.380 3.960 -0.001 0.000 0.292 86 G HA3 0.420 4.380 3.960 -0.001 0.000 0.292 86 G C -2.373 172.500 174.900 -0.045 0.000 1.237 86 G CA -1.643 43.435 45.100 -0.036 0.000 0.978 86 G HN 0.545 nan 8.290 nan 0.000 0.498 87 P HA 0.191 nan 4.420 nan 0.000 0.270 87 P C -0.705 176.583 177.300 -0.019 0.000 1.223 87 P CA 0.069 63.156 63.100 -0.022 0.000 0.785 87 P CB 1.130 32.863 31.700 0.056 0.000 0.923 88 L N 0.824 122.031 121.223 -0.026 0.000 2.362 88 L HA 0.404 4.744 4.340 -0.001 0.000 0.275 88 L C 0.768 177.632 176.870 -0.010 0.000 0.998 88 L CA -0.889 53.926 54.840 -0.042 0.000 0.820 88 L CB 2.012 44.027 42.059 -0.073 0.000 1.270 88 L HN 0.419 nan 8.230 nan 0.000 0.415 89 E N 1.977 122.176 120.200 -0.001 0.000 2.316 89 E HA 0.229 4.579 4.350 -0.001 0.000 0.275 89 E C -1.101 175.563 176.600 0.107 0.000 1.029 89 E CA -0.246 56.177 56.400 0.039 0.000 0.871 89 E CB 1.005 30.730 29.700 0.041 0.000 1.022 89 E HN 0.499 nan 8.360 nan 0.000 0.418 90 T N 7.211 121.804 114.554 0.064 0.000 2.786 90 T HA 0.336 4.685 4.350 -0.001 0.000 0.283 90 T C -2.356 172.296 174.700 -0.079 0.000 0.992 90 T CA -1.304 60.825 62.100 0.048 0.000 0.954 90 T CB 1.407 70.270 68.868 -0.009 0.000 0.934 90 T HN 0.489 nan 8.240 nan 0.000 0.440 91 P HA 0.129 nan 4.420 nan 0.000 0.266 91 P C -0.725 176.339 177.300 -0.394 0.000 1.195 91 P CA -0.278 62.572 63.100 -0.416 0.000 0.768 91 P CB 0.553 31.730 31.700 -0.872 0.000 0.838 92 V N 2.713 122.478 119.914 -0.249 0.000 2.348 92 V HA 0.444 4.564 4.120 -0.001 0.000 0.270 92 V C 1.519 177.594 176.094 -0.031 0.000 1.037 92 V CA 0.853 63.082 62.300 -0.118 0.000 0.872 92 V CB -0.008 31.798 31.823 -0.028 0.000 1.002 92 V HN 1.042 nan 8.190 nan 0.000 0.464 93 G N 4.529 113.291 108.800 -0.064 0.000 2.199 93 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.254 93 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.254 93 G C -0.109 174.844 174.900 0.088 0.000 0.982 93 G CA 0.738 45.853 45.100 0.024 0.000 0.632 93 G HN 1.438 nan 8.290 nan 0.000 0.529 94 Y N -3.482 116.769 120.300 -0.083 0.000 2.871 94 Y HA 0.620 5.169 4.550 -0.001 0.000 0.331 94 Y C 1.011 176.836 175.900 -0.125 0.000 1.378 94 Y CA -0.093 57.951 58.100 -0.093 0.000 1.079 94 Y CB 0.556 38.969 38.460 -0.078 0.000 1.441 94 Y HN 1.850 nan 8.280 nan 0.000 0.446 95 G N 1.124 109.829 108.800 -0.158 0.000 2.601 95 G HA2 -0.165 3.794 3.960 -0.001 0.000 0.252 95 G HA3 -0.165 3.794 3.960 -0.001 0.000 0.252 95 G C -0.904 173.761 174.900 -0.391 0.000 1.294 95 G CA 0.145 45.055 45.100 -0.317 0.000 0.912 95 G HN 0.946 nan 8.290 nan 0.000 0.574 96 E N 1.179 121.028 120.200 -0.585 0.000 2.418 96 E HA 0.428 4.777 4.350 -0.001 0.000 0.261 96 E C 0.822 177.124 176.600 -0.497 0.000 1.070 96 E CA 0.238 56.220 56.400 -0.697 0.000 0.931 96 E CB 0.400 29.157 29.700 -1.572 0.000 0.954 96 E HN 0.570 nan 8.360 nan 0.000 0.439 97 K N 0.852 121.078 120.400 -0.290 0.000 2.258 97 K HA 0.135 4.454 4.320 -0.001 0.000 0.264 97 K C 0.237 176.824 176.600 -0.022 0.000 1.007 97 K CA -0.352 55.849 56.287 -0.143 0.000 0.941 97 K CB 0.797 33.247 32.500 -0.084 0.000 0.966 97 K HN 0.383 nan 8.250 nan 0.000 0.480 98 S N 1.180 116.873 115.700 -0.013 0.000 2.596 98 S HA -0.014 4.456 4.470 -0.001 0.000 0.298 98 S C 1.086 175.748 174.600 0.104 0.000 1.255 98 S CA -0.088 58.145 58.200 0.055 0.000 1.083 98 S CB 0.277 63.467 63.200 -0.016 0.000 0.837 98 S HN 0.652 nan 8.310 nan 0.000 0.499 99 A N 5.713 128.631 122.820 0.162 0.000 2.119 99 A HA -0.017 4.302 4.320 -0.001 0.000 0.217 99 A C 2.047 179.643 177.584 0.021 0.000 1.153 99 A CA 0.797 52.879 52.037 0.075 0.000 0.692 99 A CB -0.350 18.619 19.000 -0.052 0.000 0.799 99 A HN 0.894 nan 8.150 nan 0.000 0.458 100 N N 0.325 119.033 118.700 0.014 0.000 2.135 100 N HA -0.108 4.632 4.740 -0.001 0.000 0.186 100 N C 1.693 177.209 175.510 0.009 0.000 1.027 100 N CA 1.622 54.671 53.050 -0.002 0.000 0.849 100 N CB -0.369 38.112 38.487 -0.009 0.000 1.002 100 N HN 0.274 nan 8.380 nan 0.000 0.425 101 V N 1.431 121.356 119.914 0.018 0.000 2.427 101 V HA -0.152 3.968 4.120 -0.001 0.000 0.248 101 V C 2.253 178.356 176.094 0.016 0.000 1.051 101 V CA 1.556 63.871 62.300 0.025 0.000 1.048 101 V CB -0.834 31.008 31.823 0.032 0.000 0.666 101 V HN 0.323 nan 8.190 nan 0.000 0.456 102 T N 0.458 115.021 114.554 0.016 0.000 2.746 102 T HA -0.123 4.227 4.350 -0.001 0.000 0.267 102 T C 1.890 176.587 174.700 -0.006 0.000 1.039 102 T CA 1.482 63.583 62.100 0.001 0.000 1.142 102 T CB -0.266 68.612 68.868 0.017 0.000 0.866 102 T HN 0.294 nan 8.240 nan 0.000 0.444 103 L N 0.355 121.600 121.223 0.037 0.000 2.017 103 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 103 L C 2.859 179.810 176.870 0.134 0.000 1.073 103 L CA 1.488 56.401 54.840 0.121 0.000 0.745 103 L CB -0.442 41.682 42.059 0.108 0.000 0.894 103 L HN 0.169 nan 8.230 nan 0.000 0.432 104 R N 0.078 120.611 120.500 0.054 0.000 2.081 104 R HA -0.155 4.184 4.340 -0.001 0.000 0.235 104 R C 2.290 178.604 176.300 0.023 0.000 1.131 104 R CA 1.327 57.447 56.100 0.032 0.000 0.960 104 R CB -0.237 30.059 30.300 -0.006 0.000 0.856 104 R HN 0.319 nan 8.270 nan 0.000 0.436 105 K N 0.480 120.876 120.400 -0.007 0.000 2.155 105 K HA -0.020 4.299 4.320 -0.001 0.000 0.203 105 K C 2.057 178.596 176.600 -0.103 0.000 1.052 105 K CA 0.818 57.087 56.287 -0.031 0.000 0.948 105 K CB -0.005 32.480 32.500 -0.025 0.000 0.728 105 K HN 0.131 nan 8.250 nan 0.000 0.448 106 L N -0.345 120.753 121.223 -0.210 0.000 2.141 106 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 106 L C 1.095 177.562 176.870 -0.671 0.000 1.094 106 L CA 1.124 55.669 54.840 -0.493 0.000 0.763 106 L CB 0.011 41.621 42.059 -0.748 0.000 0.908 106 L HN 0.117 nan 8.230 nan 0.000 0.437 107 F N -1.187 118.760 119.950 -0.006 0.000 2.668 107 F HA 0.180 4.706 4.527 -0.001 0.000 0.301 107 F C 0.785 176.589 175.800 0.007 0.000 1.106 107 F CA -0.654 57.344 58.000 -0.004 0.000 1.289 107 F CB -0.112 38.873 39.000 -0.025 0.000 1.006 107 F HN -0.110 nan 8.300 nan 0.000 0.535 108 E N 1.624 121.889 120.200 0.108 0.000 2.269 108 E HA -0.245 4.104 4.350 -0.001 0.000 0.223 108 E C 0.060 176.737 176.600 0.129 0.000 1.244 108 E CA 0.785 57.259 56.400 0.124 0.000 0.713 108 E CB -1.459 28.325 29.700 0.141 0.000 1.178 108 E HN 0.341 nan 8.360 nan 0.000 0.370 109 T N -0.670 113.910 114.554 0.044 0.000 3.579 109 T HA 0.269 4.618 4.350 -0.001 0.000 0.328 109 T C 1.107 175.718 174.700 -0.148 0.000 1.481 109 T CA -0.079 61.957 62.100 -0.108 0.000 1.144 109 T CB -0.433 68.349 68.868 -0.144 0.000 1.205 109 T HN 0.363 nan 8.240 nan 0.000 0.812 110 Y N 1.282 121.521 120.300 -0.102 0.000 2.497 110 Y HA 0.453 5.002 4.550 -0.001 0.000 0.292 110 Y C 0.720 176.487 175.900 -0.222 0.000 1.137 110 Y CA -0.572 57.451 58.100 -0.128 0.000 1.285 110 Y CB -0.422 37.987 38.460 -0.085 0.000 0.991 110 Y HN 0.653 nan 8.280 nan 0.000 0.556 111 A N 1.419 123.795 122.820 -0.741 0.000 2.318 111 A HA 0.413 4.733 4.320 -0.001 0.000 0.324 111 A C -0.925 176.351 177.584 -0.513 0.000 1.170 111 A CA -0.842 50.751 52.037 -0.741 0.000 0.810 111 A CB 0.481 18.475 19.000 -1.676 0.000 1.198 111 A HN 0.390 nan 8.150 nan 0.000 0.484 112 N N 2.728 121.239 118.700 -0.315 0.000 2.511 112 N HA 0.353 5.093 4.740 -0.001 0.000 0.249 112 N C -1.282 174.148 175.510 -0.135 0.000 0.971 112 N CA -0.097 52.828 53.050 -0.207 0.000 0.938 112 N CB 1.455 39.857 38.487 -0.142 0.000 1.131 112 N HN 0.294 nan 8.380 nan 0.000 0.505 113 V N 4.927 124.788 119.914 -0.089 0.000 2.385 113 V HA 0.377 4.497 4.120 -0.001 0.000 0.269 113 V C 0.548 176.656 176.094 0.023 0.000 1.043 113 V CA -0.385 61.931 62.300 0.026 0.000 0.906 113 V CB 0.498 32.404 31.823 0.138 0.000 0.995 113 V HN 0.414 nan 8.190 nan 0.000 0.467 114 R N 5.935 126.449 120.500 0.023 0.000 2.402 114 R HA 0.344 4.684 4.340 -0.001 0.000 0.290 114 R C -2.786 173.538 176.300 0.040 0.000 1.321 114 R CA -1.582 54.533 56.100 0.025 0.000 1.283 114 R CB 1.789 32.088 30.300 -0.001 0.000 1.111 114 R HN 0.473 nan 8.270 nan 0.000 0.578 115 P HA 0.102 nan 4.420 nan 0.000 0.280 115 P C -0.610 176.734 177.300 0.073 0.000 1.244 115 P CA -0.248 62.892 63.100 0.067 0.000 0.784 115 P CB 1.776 33.526 31.700 0.084 0.000 0.913 116 V N 4.861 124.799 119.914 0.041 0.000 2.656 116 V HA 0.728 4.848 4.120 -0.001 0.000 0.307 116 V C -0.405 175.672 176.094 -0.028 0.000 1.051 116 V CA -0.663 61.660 62.300 0.039 0.000 0.893 116 V CB 1.794 33.629 31.823 0.021 0.000 0.999 116 V HN 0.800 nan 8.190 nan 0.000 0.426 117 R N 3.474 123.917 120.500 -0.096 0.000 2.734 117 R HA 0.583 4.923 4.340 -0.001 0.000 0.271 117 R C -1.035 175.026 176.300 -0.398 0.000 1.021 117 R CA -0.858 55.091 56.100 -0.250 0.000 0.893 117 R CB 1.722 31.822 30.300 -0.333 0.000 1.244 117 R HN 0.637 nan 8.270 nan 0.000 0.464 118 E N 1.356 121.363 120.200 -0.323 0.000 2.354 118 E HA 0.213 4.562 4.350 -0.001 0.000 0.269 118 E C -1.291 175.048 176.600 -0.436 0.000 1.036 118 E CA -0.399 55.854 56.400 -0.245 0.000 0.876 118 E CB 0.616 30.246 29.700 -0.116 0.000 1.009 118 E HN 0.362 nan 8.360 nan 0.000 0.416 119 F N 3.460 123.324 119.950 -0.143 0.000 2.522 119 F HA 0.374 4.901 4.527 -0.000 0.000 0.324 119 F C -1.968 173.751 175.800 -0.136 0.000 1.077 119 F CA -2.414 55.490 58.000 -0.159 0.000 0.944 119 F CB 1.502 40.310 39.000 -0.319 0.000 1.175 119 F HN 0.357 nan 8.300 nan 0.000 0.468 120 P HA 0.085 nan 4.420 nan 0.000 0.267 120 P C -0.251 177.061 177.300 0.021 0.000 1.205 120 P CA 0.364 63.491 63.100 0.046 0.000 0.765 120 P CB 0.307 32.039 31.700 0.053 0.000 0.828 121 N N 0.153 118.851 118.700 -0.003 0.000 2.713 121 N HA -0.136 4.604 4.740 -0.001 0.000 0.251 121 N C -0.742 174.747 175.510 -0.035 0.000 1.117 121 N CA 0.744 53.785 53.050 -0.015 0.000 0.770 121 N CB -1.421 37.060 38.487 -0.009 0.000 1.137 121 N HN 0.169 nan 8.380 nan 0.000 0.566 122 V N 1.806 121.681 119.914 -0.064 0.000 2.204 122 V HA 0.222 4.341 4.120 -0.001 0.000 0.264 122 V C -1.827 174.225 176.094 -0.070 0.000 1.106 122 V CA -1.169 61.053 62.300 -0.130 0.000 0.947 122 V CB 1.118 32.730 31.823 -0.351 0.000 1.164 122 V HN -0.037 nan 8.190 nan 0.000 0.461 123 P HA 0.206 nan 4.420 nan 0.000 0.264 123 P C -0.043 177.263 177.300 0.010 0.000 1.193 123 P CA 0.645 63.738 63.100 -0.010 0.000 0.763 123 P CB 0.757 32.452 31.700 -0.009 0.000 0.810 124 T N -0.413 114.160 114.554 0.031 0.000 2.894 124 T HA 0.454 4.804 4.350 -0.001 0.000 0.309 124 T C -2.365 172.366 174.700 0.053 0.000 1.208 124 T CA -1.947 60.196 62.100 0.072 0.000 1.016 124 T CB 1.469 70.417 68.868 0.133 0.000 1.192 124 T HN -0.030 nan 8.240 nan 0.000 0.491 125 P HA 0.009 nan 4.420 nan 0.000 0.226 125 P C 0.287 177.440 177.300 -0.245 0.000 1.146 125 P CA 0.943 63.958 63.100 -0.143 0.000 0.773 125 P CB -0.224 31.328 31.700 -0.246 0.000 0.772 126 Y N -1.111 119.188 120.300 -0.002 0.000 2.457 126 Y HA 0.392 4.942 4.550 -0.001 0.000 0.263 126 Y C 1.377 177.270 175.900 -0.013 0.000 1.164 126 Y CA -0.582 57.515 58.100 -0.005 0.000 1.274 126 Y CB -0.575 37.885 38.460 -0.001 0.000 1.097 126 Y HN -0.179 nan 8.280 nan 0.000 0.523 127 A N 0.462 123.343 122.820 0.100 0.000 2.587 127 A HA 0.336 4.656 4.320 -0.001 0.000 0.235 127 A C 1.691 179.293 177.584 0.031 0.000 1.044 127 A CA 1.200 53.266 52.037 0.049 0.000 0.754 127 A CB -0.776 18.236 19.000 0.020 0.000 0.968 127 A HN 0.963 nan 8.150 nan 0.000 0.509 128 G N 2.042 110.855 108.800 0.021 0.000 2.217 128 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.246 128 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.246 128 G C 0.948 175.859 174.900 0.019 0.000 0.990 128 G CA 0.663 45.770 45.100 0.012 0.000 0.627 128 G HN 0.837 nan 8.290 nan 0.000 0.522 129 R N 0.637 121.163 120.500 0.043 0.000 2.310 129 R HA 0.391 4.730 4.340 -0.001 0.000 0.202 129 R C 1.796 178.113 176.300 0.028 0.000 0.933 129 R CA 0.675 56.804 56.100 0.048 0.000 1.054 129 R CB -0.005 30.358 30.300 0.104 0.000 0.985 129 R HN 1.309 nan 8.270 nan 0.000 0.489 130 G N 2.121 110.928 108.800 0.012 0.000 2.298 130 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.287 130 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.287 130 G C 0.045 174.938 174.900 -0.011 0.000 1.075 130 G CA -0.236 44.860 45.100 -0.007 0.000 0.960 130 G HN 0.275 nan 8.290 nan 0.000 0.502 131 I N 0.629 121.189 120.570 -0.016 0.000 2.517 131 I HA 0.253 4.423 4.170 -0.001 0.000 0.285 131 I C 0.274 176.366 176.117 -0.042 0.000 1.106 131 I CA 0.363 61.646 61.300 -0.028 0.000 1.402 131 I CB 0.926 38.893 38.000 -0.054 0.000 1.399 131 I HN 0.226 nan 8.210 nan 0.000 0.535 132 D N 7.897 128.284 120.400 -0.021 0.000 2.411 132 D HA 0.427 5.067 4.640 -0.001 0.000 0.239 132 D C -1.184 175.122 176.300 0.010 0.000 1.307 132 D CA -0.421 53.567 54.000 -0.019 0.000 0.930 132 D CB 0.535 41.324 40.800 -0.018 0.000 1.395 132 D HN 0.271 nan 8.370 nan 0.000 0.536 133 L N 0.762 121.991 121.223 0.009 0.000 2.277 133 L HA 0.947 5.287 4.340 -0.001 0.000 0.254 133 L C -1.409 175.471 176.870 0.017 0.000 1.044 133 L CA -1.325 53.530 54.840 0.026 0.000 0.842 133 L CB 1.645 43.723 42.059 0.032 0.000 1.422 133 L HN -0.001 nan 8.230 nan 0.000 0.422 134 V N 0.550 120.474 119.914 0.018 0.000 2.668 134 V HA 0.667 4.787 4.120 -0.001 0.000 0.304 134 V C -1.259 174.831 176.094 -0.006 0.000 1.071 134 V CA -0.429 61.884 62.300 0.022 0.000 0.894 134 V CB 2.245 34.104 31.823 0.059 0.000 1.008 134 V HN 0.700 nan 8.190 nan 0.000 0.425 135 V N 7.165 127.064 119.914 -0.024 0.000 2.407 135 V HA 0.430 4.549 4.120 -0.001 0.000 0.278 135 V C -0.012 176.065 176.094 -0.028 0.000 1.037 135 V CA -0.326 61.939 62.300 -0.058 0.000 0.900 135 V CB 1.758 33.531 31.823 -0.084 0.000 0.983 135 V HN 0.674 nan 8.190 nan 0.000 0.459 136 V N 6.686 126.581 119.914 -0.032 0.000 2.277 136 V HA 0.374 4.494 4.120 -0.001 0.000 0.269 136 V C 0.392 176.447 176.094 -0.065 0.000 1.036 136 V CA -0.534 61.760 62.300 -0.009 0.000 0.821 136 V CB 0.939 32.806 31.823 0.073 0.000 1.052 136 V HN 0.828 nan 8.190 nan 0.000 0.462 137 R N 3.986 124.433 120.500 -0.089 0.000 2.221 137 R HA 0.251 4.590 4.340 -0.001 0.000 0.327 137 R C 0.241 176.476 176.300 -0.109 0.000 1.033 137 R CA -0.512 55.525 56.100 -0.106 0.000 0.887 137 R CB 0.801 31.038 30.300 -0.105 0.000 1.057 137 R HN 0.664 nan 8.270 nan 0.000 0.455 138 E N 3.190 123.334 120.200 -0.094 0.000 2.452 138 E HA -0.134 4.215 4.350 -0.001 0.000 0.261 138 E C -0.527 176.027 176.600 -0.076 0.000 0.987 138 E CA 0.448 56.810 56.400 -0.063 0.000 0.926 138 E CB 0.841 30.505 29.700 -0.060 0.000 0.934 138 E HN 0.648 nan 8.360 nan 0.000 0.452 139 N N 2.461 121.132 118.700 -0.048 0.000 2.197 139 N HA -0.008 4.731 4.740 -0.001 0.000 0.201 139 N C 0.659 176.163 175.510 -0.010 0.000 1.148 139 N CA 0.667 53.688 53.050 -0.049 0.000 0.883 139 N CB 0.637 39.070 38.487 -0.091 0.000 1.012 139 N HN 0.330 nan 8.380 nan 0.000 0.507 140 V N -2.961 116.959 119.914 0.010 0.000 3.398 140 V HA 0.422 4.542 4.120 -0.001 0.000 0.298 140 V C 0.378 176.483 176.094 0.018 0.000 1.496 140 V CA -0.162 62.151 62.300 0.021 0.000 1.044 140 V CB -0.256 31.590 31.823 0.038 0.000 0.880 140 V HN 0.171 nan 8.190 nan 0.000 0.443 141 E N -0.193 120.009 120.200 0.004 0.000 2.580 141 E HA 0.566 4.915 4.350 -0.001 0.000 0.178 141 E C -0.360 176.238 176.600 -0.003 0.000 0.738 141 E CA -0.190 56.215 56.400 0.008 0.000 0.967 141 E CB 0.305 30.009 29.700 0.006 0.000 1.942 141 E HN 0.051 nan 8.360 nan 0.000 0.376 142 D N -0.991 119.409 120.400 0.000 0.000 3.563 142 D HA -0.237 4.403 4.640 -0.001 0.000 0.237 142 D C 0.581 176.903 176.300 0.036 0.000 1.680 142 D CA 1.472 55.467 54.000 -0.010 0.000 1.151 142 D CB -1.016 39.732 40.800 -0.086 0.000 0.751 142 D HN 0.465 nan 8.370 nan 0.000 0.930 143 L N -0.580 120.675 121.223 0.053 0.000 2.156 143 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 143 L C 1.901 178.936 176.870 0.273 0.000 1.095 143 L CA 0.774 55.706 54.840 0.153 0.000 0.770 143 L CB -0.432 41.740 42.059 0.189 0.000 0.914 143 L HN 0.445 nan 8.230 nan 0.000 0.439 144 Y N 0.140 120.435 120.300 -0.010 0.000 2.716 144 Y HA -0.128 4.422 4.550 -0.000 0.000 0.302 144 Y C 2.346 178.235 175.900 -0.019 0.000 1.160 144 Y CA 0.115 58.205 58.100 -0.016 0.000 1.362 144 Y CB -1.337 37.111 38.460 -0.019 0.000 0.988 144 Y HN 0.144 nan 8.280 nan 0.000 0.546 145 A N -0.201 122.700 122.820 0.135 0.000 1.969 145 A HA 0.170 4.489 4.320 -0.001 0.000 0.218 145 A C 2.250 179.849 177.584 0.024 0.000 1.169 145 A CA 1.276 53.351 52.037 0.062 0.000 0.635 145 A CB -0.961 18.068 19.000 0.048 0.000 0.810 145 A HN 0.613 nan 8.150 nan 0.000 0.445 146 G N -1.113 107.700 108.800 0.021 0.000 2.160 146 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.244 146 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.244 146 G C 0.020 174.893 174.900 -0.044 0.000 1.022 146 G CA 0.163 45.246 45.100 -0.027 0.000 0.741 146 G HN 0.542 nan 8.290 nan 0.000 0.508 147 I N 1.170 121.730 120.570 -0.018 0.000 2.329 147 I HA 0.313 4.483 4.170 -0.001 0.000 0.295 147 I C 0.485 176.577 176.117 -0.041 0.000 1.109 147 I CA 0.262 61.543 61.300 -0.031 0.000 1.297 147 I CB 0.344 38.362 38.000 0.030 0.000 1.433 147 I HN 0.181 nan 8.210 nan 0.000 0.509 148 E N 5.160 125.262 120.200 -0.162 0.000 2.288 148 E HA 0.609 4.959 4.350 -0.001 0.000 0.268 148 E C -1.356 175.032 176.600 -0.352 0.000 0.885 148 E CA -1.052 55.265 56.400 -0.139 0.000 0.767 148 E CB 2.369 32.006 29.700 -0.104 0.000 1.220 148 E HN 0.481 nan 8.360 nan 0.000 0.427 149 H N 0.526 119.545 119.070 -0.085 0.000 2.865 149 H HA 0.271 4.827 4.556 -0.001 0.000 0.362 149 H C -0.746 174.524 175.328 -0.096 0.000 1.114 149 H CA -0.802 55.189 56.048 -0.095 0.000 1.208 149 H CB 1.131 30.818 29.762 -0.125 0.000 1.727 149 H HN 0.191 nan 8.280 nan 0.000 0.534 150 M N 3.194 122.808 119.600 0.024 0.000 2.193 150 M HA 0.062 4.542 4.480 -0.001 0.000 0.342 150 M C 0.940 177.223 176.300 -0.029 0.000 1.413 150 M CA -0.062 55.225 55.300 -0.022 0.000 1.191 150 M CB 1.033 33.616 32.600 -0.027 0.000 1.633 150 M HN 0.706 nan 8.290 nan 0.000 0.458 151 Q N 1.280 121.024 119.800 -0.093 0.000 2.135 151 Q HA -0.068 4.272 4.340 -0.001 0.000 0.204 151 Q C 0.938 176.917 176.000 -0.034 0.000 0.981 151 Q CA 1.389 57.122 55.803 -0.116 0.000 0.856 151 Q CB -0.082 28.370 28.738 -0.477 0.000 0.902 151 Q HN 0.835 nan 8.270 nan 0.000 0.425 152 T N -4.968 109.552 114.554 -0.056 0.000 2.812 152 T HA 0.353 4.703 4.350 -0.001 0.000 0.294 152 T C -2.445 172.247 174.700 -0.013 0.000 1.159 152 T CA -1.769 60.333 62.100 0.004 0.000 1.008 152 T CB 1.882 70.775 68.868 0.041 0.000 1.289 152 T HN -0.310 nan 8.240 nan 0.000 0.514 153 P HA -0.012 nan 4.420 nan 0.000 0.219 153 P C 1.116 178.409 177.300 -0.012 0.000 1.146 153 P CA 1.180 64.277 63.100 -0.006 0.000 0.808 153 P CB 0.043 31.744 31.700 0.002 0.000 0.779 154 S N -3.300 112.393 115.700 -0.010 0.000 2.629 154 S HA 0.233 4.703 4.470 -0.001 0.000 0.236 154 S C 0.199 174.783 174.600 -0.028 0.000 1.010 154 S CA -0.356 57.835 58.200 -0.014 0.000 0.981 154 S CB -0.191 63.008 63.200 -0.002 0.000 0.919 154 S HN -0.181 nan 8.310 nan 0.000 0.514 155 V N 2.059 121.941 119.914 -0.054 0.000 2.443 155 V HA 0.800 4.920 4.120 -0.001 0.000 0.293 155 V C 0.014 176.038 176.094 -0.118 0.000 1.021 155 V CA -0.658 61.585 62.300 -0.095 0.000 0.848 155 V CB 0.997 32.724 31.823 -0.160 0.000 0.998 155 V HN 0.537 nan 8.190 nan 0.000 0.424 156 A N 4.405 127.178 122.820 -0.079 0.000 2.303 156 A HA 0.848 5.167 4.320 -0.001 0.000 0.317 156 A C -0.458 177.093 177.584 -0.054 0.000 1.149 156 A CA -0.512 51.488 52.037 -0.061 0.000 0.822 156 A CB 1.438 20.415 19.000 -0.038 0.000 1.131 156 A HN 0.803 nan 8.150 nan 0.000 0.493 157 Q N 0.772 120.551 119.800 -0.035 0.000 2.331 157 Q HA 0.574 4.913 4.340 -0.001 0.000 0.272 157 Q C -1.509 174.503 176.000 0.020 0.000 1.062 157 Q CA -0.415 55.383 55.803 -0.007 0.000 0.806 157 Q CB 1.995 30.721 28.738 -0.022 0.000 1.312 157 Q HN 0.660 nan 8.270 nan 0.000 0.431 158 T N 3.819 118.392 114.554 0.031 0.000 2.841 158 T HA 0.476 4.826 4.350 -0.001 0.000 0.283 158 T C -0.408 174.326 174.700 0.056 0.000 1.000 158 T CA -0.581 61.542 62.100 0.038 0.000 0.977 158 T CB 0.772 69.661 68.868 0.035 0.000 0.979 158 T HN 0.489 nan 8.240 nan 0.000 0.446 159 L N 2.844 124.104 121.223 0.061 0.000 2.292 159 L HA 0.506 4.845 4.340 -0.001 0.000 0.284 159 L C 0.445 177.356 176.870 0.068 0.000 1.065 159 L CA -0.703 54.177 54.840 0.067 0.000 0.806 159 L CB 1.031 43.128 42.059 0.064 0.000 1.175 159 L HN 0.452 nan 8.230 nan 0.000 0.431 160 K N 5.213 125.656 120.400 0.072 0.000 2.316 160 K HA 0.541 4.861 4.320 -0.001 0.000 0.267 160 K C -1.389 175.251 176.600 0.066 0.000 1.025 160 K CA -0.499 55.828 56.287 0.066 0.000 0.896 160 K CB 0.796 33.334 32.500 0.063 0.000 1.124 160 K HN 0.561 nan 8.250 nan 0.000 0.451 161 L N 5.934 127.191 121.223 0.057 0.000 2.313 161 L HA 0.514 4.854 4.340 -0.001 0.000 0.283 161 L C -0.561 176.337 176.870 0.047 0.000 1.013 161 L CA -1.045 53.830 54.840 0.058 0.000 0.816 161 L CB 1.481 43.573 42.059 0.056 0.000 1.236 161 L HN 0.519 nan 8.230 nan 0.000 0.419 162 I N 2.479 123.083 120.570 0.056 0.000 2.447 162 I HA 0.322 4.491 4.170 -0.001 0.000 0.287 162 I C 0.136 176.292 176.117 0.065 0.000 1.023 162 I CA -0.223 61.104 61.300 0.046 0.000 1.083 162 I CB 1.995 40.023 38.000 0.047 0.000 1.245 162 I HN 0.606 nan 8.210 nan 0.000 0.434 163 S N 5.339 121.069 115.700 0.050 0.000 2.638 163 S HA 0.349 4.819 4.470 -0.001 0.000 0.298 163 S C 0.805 175.459 174.600 0.090 0.000 1.111 163 S CA -0.728 57.521 58.200 0.082 0.000 1.027 163 S CB 2.157 65.393 63.200 0.060 0.000 1.064 163 S HN 0.798 nan 8.310 nan 0.000 0.525 164 W N 2.572 123.875 121.300 0.006 0.000 2.381 164 W HA -0.109 4.550 4.660 -0.001 0.000 0.301 164 W C 1.354 177.875 176.519 0.004 0.000 1.205 164 W CA 1.431 58.783 57.345 0.011 0.000 1.285 164 W CB -0.301 29.160 29.460 0.002 0.000 1.133 164 W HN 0.814 nan 8.180 nan 0.000 0.521 165 K N -0.123 120.316 120.400 0.065 0.000 2.020 165 K HA -0.175 4.144 4.320 -0.001 0.000 0.212 165 K C 2.327 178.827 176.600 -0.166 0.000 1.050 165 K CA 1.953 58.219 56.287 -0.035 0.000 0.929 165 K CB -1.030 31.488 32.500 0.030 0.000 0.714 165 K HN 0.230 nan 8.250 nan 0.000 0.443 166 G N 0.309 109.035 108.800 -0.123 0.000 2.408 166 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.217 166 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.217 166 G C 1.523 176.317 174.900 -0.178 0.000 1.150 166 G CA 0.810 45.823 45.100 -0.144 0.000 0.776 166 G HN 0.185 nan 8.290 nan 0.000 0.542 167 S N 0.082 115.656 115.700 -0.211 0.000 2.371 167 S HA -0.040 4.429 4.470 -0.001 0.000 0.224 167 S C 2.124 176.536 174.600 -0.312 0.000 1.029 167 S CA 0.954 59.018 58.200 -0.228 0.000 0.978 167 S CB -0.159 62.901 63.200 -0.232 0.000 0.833 167 S HN 0.418 nan 8.310 nan 0.000 0.466 168 E N 1.863 121.738 120.200 -0.541 0.000 2.058 168 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 168 E C 1.803 178.285 176.600 -0.197 0.000 0.997 168 E CA 1.175 57.283 56.400 -0.487 0.000 0.801 168 E CB -0.084 29.241 29.700 -0.625 0.000 0.746 168 E HN 0.442 nan 8.360 nan 0.000 0.450 169 K N 0.116 120.378 120.400 -0.230 0.000 2.026 169 K HA -0.157 4.162 4.320 -0.001 0.000 0.208 169 K C 2.330 178.915 176.600 -0.026 0.000 1.048 169 K CA 1.177 57.319 56.287 -0.242 0.000 0.929 169 K CB -0.276 31.820 32.500 -0.673 0.000 0.713 169 K HN 0.112 nan 8.250 nan 0.000 0.439 170 I N 1.313 121.878 120.570 -0.008 0.000 2.252 170 I HA -0.222 3.948 4.170 -0.001 0.000 0.245 170 I C 2.103 178.326 176.117 0.178 0.000 1.102 170 I CA 1.018 62.411 61.300 0.155 0.000 1.385 170 I CB -0.127 37.908 38.000 0.059 0.000 1.064 170 I HN 0.010 nan 8.210 nan 0.000 0.414 171 V N -0.988 118.997 119.914 0.118 0.000 2.453 171 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 171 V C 2.621 178.866 176.094 0.250 0.000 1.048 171 V CA 1.873 64.281 62.300 0.181 0.000 1.049 171 V CB -1.247 30.750 31.823 0.290 0.000 0.672 171 V HN 0.436 nan 8.190 nan 0.000 0.457 172 R N -0.541 120.113 120.500 0.257 0.000 2.075 172 R HA -0.112 4.227 4.340 -0.001 0.000 0.232 172 R C 2.181 178.613 176.300 0.220 0.000 1.126 172 R CA 1.898 58.163 56.100 0.275 0.000 0.963 172 R CB -0.483 29.965 30.300 0.248 0.000 0.858 172 R HN 0.584 nan 8.270 nan 0.000 0.435 173 F N 0.961 121.010 119.950 0.165 0.000 2.102 173 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 173 F C 2.140 177.942 175.800 0.004 0.000 1.105 173 F CA 1.660 59.770 58.000 0.184 0.000 1.239 173 F CB -0.364 38.834 39.000 0.329 0.000 0.991 173 F HN 0.118 nan 8.300 nan 0.000 0.474 174 A N 0.105 123.053 122.820 0.212 0.000 1.883 174 A HA -0.200 4.120 4.320 -0.001 0.000 0.217 174 A C 2.053 179.474 177.584 -0.272 0.000 1.186 174 A CA 1.865 53.887 52.037 -0.024 0.000 0.624 174 A CB -1.507 17.431 19.000 -0.103 0.000 0.822 174 A HN 0.435 nan 8.150 nan 0.000 0.444 175 F N 0.295 120.073 119.950 -0.287 0.000 2.134 175 F HA -0.109 4.418 4.527 -0.000 0.000 0.299 175 F C 2.554 177.966 175.800 -0.647 0.000 1.097 175 F CA 1.578 59.222 58.000 -0.593 0.000 1.264 175 F CB -0.278 37.989 39.000 -1.221 0.000 1.001 175 F HN 0.194 nan 8.300 nan 0.000 0.479 176 E N 0.231 120.163 120.200 -0.446 0.000 2.110 176 E HA -0.201 4.148 4.350 -0.001 0.000 0.193 176 E C 2.439 178.481 176.600 -0.930 0.000 0.988 176 E CA 0.796 56.864 56.400 -0.553 0.000 0.804 176 E CB -0.826 28.552 29.700 -0.537 0.000 0.745 176 E HN 0.414 nan 8.360 nan 0.000 0.458 177 L N 0.409 121.042 121.223 -0.983 0.000 2.046 177 L HA -0.156 4.183 4.340 -0.001 0.000 0.208 177 L C 2.305 178.974 176.870 -0.336 0.000 1.077 177 L CA 1.545 55.922 54.840 -0.771 0.000 0.747 177 L CB -0.262 41.563 42.059 -0.389 0.000 0.896 177 L HN 0.054 nan 8.230 nan 0.000 0.432 178 A N 0.202 122.877 122.820 -0.241 0.000 1.858 178 A HA -0.293 4.027 4.320 -0.001 0.000 0.216 178 A C 2.432 179.967 177.584 -0.081 0.000 1.190 178 A CA 1.947 53.920 52.037 -0.107 0.000 0.617 178 A CB -0.753 18.206 19.000 -0.068 0.000 0.827 178 A HN 0.532 nan 8.150 nan 0.000 0.443 179 R N -0.414 120.025 120.500 -0.102 0.000 2.152 179 R HA -0.062 4.277 4.340 -0.001 0.000 0.232 179 R C 1.950 178.212 176.300 -0.064 0.000 1.117 179 R CA 1.289 57.363 56.100 -0.043 0.000 0.981 179 R CB -0.292 30.015 30.300 0.012 0.000 0.870 179 R HN 0.454 nan 8.270 nan 0.000 0.451 180 A N 0.273 123.009 122.820 -0.139 0.000 2.081 180 A HA 0.010 4.330 4.320 -0.001 0.000 0.214 180 A C 1.160 178.742 177.584 -0.004 0.000 1.158 180 A CA 0.610 52.608 52.037 -0.064 0.000 0.724 180 A CB 0.150 19.117 19.000 -0.055 0.000 0.826 180 A HN 0.436 nan 8.150 nan 0.000 0.463 181 E N -1.081 119.121 120.200 0.005 0.000 2.501 181 E HA 0.295 4.645 4.350 -0.001 0.000 0.200 181 E C 0.796 177.412 176.600 0.027 0.000 1.016 181 E CA 0.130 56.559 56.400 0.049 0.000 0.921 181 E CB 0.201 29.953 29.700 0.087 0.000 1.034 181 E HN 0.621 nan 8.360 nan 0.000 0.468 182 G N 2.658 111.463 108.800 0.008 0.000 2.160 182 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.251 182 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.251 182 G C 0.069 174.981 174.900 0.019 0.000 1.008 182 G CA 0.096 45.203 45.100 0.011 0.000 0.724 182 G HN 0.173 nan 8.290 nan 0.000 0.514 183 R N -0.142 120.370 120.500 0.020 0.000 2.308 183 R HA 0.419 4.759 4.340 -0.001 0.000 0.305 183 R C 0.839 177.162 176.300 0.039 0.000 1.053 183 R CA -0.514 55.604 56.100 0.031 0.000 0.957 183 R CB 0.691 31.010 30.300 0.032 0.000 1.022 183 R HN 0.032 nan 8.270 nan 0.000 0.461 184 K N 2.390 122.818 120.400 0.046 0.000 2.410 184 K HA 0.082 4.401 4.320 -0.001 0.000 0.200 184 K C 0.059 176.701 176.600 0.070 0.000 1.023 184 K CA 0.159 56.479 56.287 0.055 0.000 1.149 184 K CB 0.357 32.882 32.500 0.041 0.000 0.859 184 K HN 0.431 nan 8.250 nan 0.000 0.514 185 K N 0.337 120.783 120.400 0.077 0.000 2.542 185 K HA 0.312 4.632 4.320 -0.001 0.000 0.259 185 K C -1.725 174.929 176.600 0.090 0.000 0.932 185 K CA -0.551 55.787 56.287 0.084 0.000 0.820 185 K CB 2.170 34.717 32.500 0.078 0.000 1.345 185 K HN -0.216 nan 8.250 nan 0.000 0.432 186 V N 3.433 123.390 119.914 0.073 0.000 2.531 186 V HA 0.352 4.471 4.120 -0.001 0.000 0.301 186 V C -1.189 174.940 176.094 0.058 0.000 1.034 186 V CA -0.832 61.488 62.300 0.034 0.000 0.865 186 V CB 1.520 33.225 31.823 -0.197 0.000 0.995 186 V HN 0.801 nan 8.190 nan 0.000 0.424 187 H N 2.110 121.186 119.070 0.011 0.000 2.458 187 H HA 0.534 5.090 4.556 -0.001 0.000 0.330 187 H C -0.369 174.744 175.328 -0.358 0.000 1.111 187 H CA -0.108 55.909 56.048 -0.051 0.000 1.245 187 H CB 1.498 31.312 29.762 0.087 0.000 1.456 187 H HN 0.749 nan 8.280 nan 0.000 0.488 188 C N 4.238 123.220 119.300 -0.530 0.000 2.271 188 C HA 0.788 5.248 4.460 -0.001 0.000 0.323 188 C C 0.061 174.752 174.990 -0.499 0.000 1.245 188 C CA -0.444 58.105 59.018 -0.781 0.000 1.548 188 C CB -1.690 25.078 27.740 -1.620 0.000 2.214 188 C HN 0.862 nan 8.230 nan 0.000 0.477 189 A N 5.340 127.947 122.820 -0.356 0.000 2.260 189 A HA 0.792 5.111 4.320 -0.001 0.000 0.308 189 A C 0.319 177.775 177.584 -0.212 0.000 1.254 189 A CA 0.079 51.934 52.037 -0.305 0.000 0.874 189 A CB 0.536 19.394 19.000 -0.238 0.000 1.153 189 A HN 1.199 nan 8.150 nan 0.000 0.527 190 T N -0.870 113.590 114.554 -0.156 0.000 2.812 190 T HA 0.619 4.969 4.350 -0.001 0.000 0.294 190 T C -0.440 174.296 174.700 0.061 0.000 1.159 190 T CA -0.708 61.401 62.100 0.014 0.000 1.008 190 T CB 1.611 70.583 68.868 0.173 0.000 1.289 190 T HN 0.329 nan 8.240 nan 0.000 0.514 191 K N 0.626 121.066 120.400 0.066 0.000 3.135 191 K HA 0.506 4.826 4.320 -0.001 0.000 0.210 191 K C 1.093 177.743 176.600 0.084 0.000 1.176 191 K CA -0.310 56.018 56.287 0.068 0.000 1.064 191 K CB -0.532 31.992 32.500 0.040 0.000 1.009 191 K HN 0.534 nan 8.250 nan 0.000 0.472 192 S N 0.570 116.341 115.700 0.119 0.000 2.507 192 S HA -0.112 4.357 4.470 -0.001 0.000 0.235 192 S C 1.379 176.017 174.600 0.063 0.000 0.988 192 S CA 1.094 59.345 58.200 0.085 0.000 0.944 192 S CB -0.314 62.923 63.200 0.062 0.000 0.762 192 S HN 0.652 nan 8.310 nan 0.000 0.526 193 N N 1.621 120.365 118.700 0.073 0.000 2.331 193 N HA -0.026 4.713 4.740 -0.001 0.000 0.180 193 N C 1.216 176.756 175.510 0.050 0.000 1.019 193 N CA 0.805 53.889 53.050 0.057 0.000 0.881 193 N CB -0.267 38.259 38.487 0.064 0.000 0.972 193 N HN 0.319 nan 8.380 nan 0.000 0.435 194 I N 0.216 120.818 120.570 0.054 0.000 2.729 194 I HA 0.175 4.345 4.170 -0.001 0.000 0.256 194 I C 0.796 176.946 176.117 0.055 0.000 1.115 194 I CA 0.556 61.886 61.300 0.051 0.000 1.446 194 I CB -0.473 37.556 38.000 0.049 0.000 1.176 194 I HN 0.052 nan 8.210 nan 0.000 0.446 195 M N 1.321 120.956 119.600 0.059 0.000 2.901 195 M HA 0.185 4.665 4.480 -0.001 0.000 0.294 195 M C 1.081 177.420 176.300 0.065 0.000 1.255 195 M CA -0.107 55.231 55.300 0.064 0.000 1.274 195 M CB 0.586 33.224 32.600 0.063 0.000 1.173 195 M HN -0.016 nan 8.290 nan 0.000 0.525 196 K N 0.634 121.070 120.400 0.060 0.000 2.152 196 K HA -0.103 4.217 4.320 -0.001 0.000 0.206 196 K C 1.393 178.033 176.600 0.067 0.000 1.048 196 K CA 1.259 57.579 56.287 0.055 0.000 0.933 196 K CB 0.057 32.582 32.500 0.042 0.000 0.721 196 K HN 0.562 nan 8.250 nan 0.000 0.447 197 L N 0.030 121.300 121.223 0.078 0.000 2.084 197 L HA -0.011 4.329 4.340 -0.001 0.000 0.202 197 L C 2.624 179.556 176.870 0.102 0.000 1.074 197 L CA 0.840 55.736 54.840 0.094 0.000 0.757 197 L CB -0.608 41.515 42.059 0.106 0.000 0.918 197 L HN 0.157 nan 8.230 nan 0.000 0.444 198 A N -0.048 122.828 122.820 0.093 0.000 1.826 198 A HA -0.142 4.178 4.320 -0.001 0.000 0.214 198 A C 2.181 179.809 177.584 0.074 0.000 1.212 198 A CA 1.160 53.248 52.037 0.085 0.000 0.605 198 A CB -0.465 18.581 19.000 0.076 0.000 0.861 198 A HN 0.290 nan 8.150 nan 0.000 0.447 199 E N -0.334 119.906 120.200 0.066 0.000 2.150 199 E HA -0.119 4.231 4.350 -0.001 0.000 0.193 199 E C 2.081 178.728 176.600 0.078 0.000 0.985 199 E CA 1.046 57.482 56.400 0.060 0.000 0.814 199 E CB -0.612 29.124 29.700 0.060 0.000 0.752 199 E HN 0.584 nan 8.360 nan 0.000 0.466 200 G N 0.542 109.392 108.800 0.082 0.000 2.470 200 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.220 200 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.220 200 G C 1.631 176.603 174.900 0.121 0.000 1.121 200 G CA 1.213 46.364 45.100 0.086 0.000 0.766 200 G HN 0.210 nan 8.290 nan 0.000 0.553 201 T N 0.778 115.409 114.554 0.129 0.000 2.777 201 T HA -0.091 4.259 4.350 -0.001 0.000 0.266 201 T C 2.214 176.986 174.700 0.120 0.000 1.040 201 T CA 1.051 63.257 62.100 0.177 0.000 1.141 201 T CB -0.141 68.825 68.868 0.164 0.000 0.868 201 T HN 0.161 nan 8.240 nan 0.000 0.444 202 L N 1.350 122.616 121.223 0.071 0.000 2.056 202 L HA 0.076 4.416 4.340 -0.001 0.000 0.207 202 L C 2.343 179.286 176.870 0.121 0.000 1.078 202 L CA 1.814 56.678 54.840 0.040 0.000 0.749 202 L CB -0.489 41.577 42.059 0.011 0.000 0.901 202 L HN 0.083 nan 8.230 nan 0.000 0.433 203 K N -0.671 119.816 120.400 0.145 0.000 2.032 203 K HA -0.207 4.112 4.320 -0.001 0.000 0.209 203 K C 2.281 179.029 176.600 0.246 0.000 1.048 203 K CA 1.660 58.067 56.287 0.199 0.000 0.927 203 K CB -0.122 32.416 32.500 0.063 0.000 0.712 203 K HN 0.276 nan 8.250 nan 0.000 0.441 204 R N -0.191 120.438 120.500 0.215 0.000 2.092 204 R HA -0.067 4.272 4.340 -0.001 0.000 0.231 204 R C 2.386 178.883 176.300 0.329 0.000 1.119 204 R CA 1.106 57.370 56.100 0.272 0.000 0.970 204 R CB -0.268 30.218 30.300 0.309 0.000 0.864 204 R HN 0.267 nan 8.270 nan 0.000 0.440 205 A N 0.819 123.749 122.820 0.184 0.000 1.898 205 A HA -0.180 4.140 4.320 -0.001 0.000 0.216 205 A C 1.911 179.567 177.584 0.121 0.000 1.181 205 A CA 0.954 52.909 52.037 -0.136 0.000 0.620 205 A CB -0.578 18.081 19.000 -0.568 0.000 0.819 205 A HN 0.332 nan 8.150 nan 0.000 0.442 206 F N 1.278 121.268 119.950 0.067 0.000 2.095 206 F HA -0.181 4.345 4.527 -0.000 0.000 0.298 206 F C 2.192 178.136 175.800 0.239 0.000 1.104 206 F CA 2.242 60.347 58.000 0.176 0.000 1.232 206 F CB -0.405 38.682 39.000 0.146 0.000 0.987 206 F HN 0.396 nan 8.300 nan 0.000 0.475 207 E N -0.543 119.751 120.200 0.157 0.000 2.072 207 E HA -0.275 4.075 4.350 -0.001 0.000 0.191 207 E C 2.183 178.790 176.600 0.012 0.000 0.985 207 E CA 1.266 57.680 56.400 0.025 0.000 0.801 207 E CB -0.384 29.386 29.700 0.118 0.000 0.750 207 E HN 0.579 nan 8.360 nan 0.000 0.452 208 Q N 0.788 120.655 119.800 0.112 0.000 2.083 208 Q HA -0.116 4.223 4.340 -0.001 0.000 0.198 208 Q C 2.199 178.234 176.000 0.059 0.000 0.969 208 Q CA 1.016 56.890 55.803 0.119 0.000 0.838 208 Q CB 0.267 29.167 28.738 0.270 0.000 0.900 208 Q HN 0.110 nan 8.270 nan 0.000 0.436 209 V N 0.929 120.884 119.914 0.067 0.000 2.515 209 V HA -0.194 3.926 4.120 -0.001 0.000 0.250 209 V C 2.282 178.278 176.094 -0.163 0.000 1.058 209 V CA 1.443 63.770 62.300 0.044 0.000 1.064 209 V CB -0.832 31.088 31.823 0.163 0.000 0.675 209 V HN 0.480 nan 8.190 nan 0.000 0.461 210 A N -0.567 122.054 122.820 -0.331 0.000 1.978 210 A HA -0.293 4.027 4.320 -0.001 0.000 0.220 210 A C 2.137 179.501 177.584 -0.368 0.000 1.170 210 A CA 1.731 53.373 52.037 -0.658 0.000 0.636 210 A CB -0.474 18.245 19.000 -0.468 0.000 0.810 210 A HN 0.621 nan 8.150 nan 0.000 0.448 211 Q N -0.595 119.080 119.800 -0.208 0.000 2.368 211 Q HA -0.179 4.160 4.340 -0.001 0.000 0.210 211 Q C 1.296 177.181 176.000 -0.193 0.000 0.982 211 Q CA 1.401 57.112 55.803 -0.152 0.000 0.884 211 Q CB -0.116 28.570 28.738 -0.088 0.000 0.933 211 Q HN 0.773 nan 8.270 nan 0.000 0.460 212 E N -0.846 119.197 120.200 -0.262 0.000 2.474 212 E HA -0.029 4.320 4.350 -0.001 0.000 0.194 212 E C -0.474 175.695 176.600 -0.718 0.000 1.041 212 E CA 0.162 56.303 56.400 -0.431 0.000 0.874 212 E CB 0.526 29.951 29.700 -0.457 0.000 0.914 212 E HN 0.330 nan 8.360 nan 0.000 0.498 213 Y N 0.394 120.470 120.300 -0.373 0.000 2.495 213 Y HA 0.191 4.741 4.550 -0.001 0.000 0.362 213 Y C -1.756 173.994 175.900 -0.251 0.000 0.956 213 Y CA -2.018 55.876 58.100 -0.343 0.000 1.127 213 Y CB 0.863 38.981 38.460 -0.571 0.000 1.173 213 Y HN 0.041 nan 8.280 nan 0.000 0.639 214 P HA -0.179 nan 4.420 nan 0.000 0.225 214 P C 0.672 177.963 177.300 -0.016 0.000 1.148 214 P CA 1.511 64.574 63.100 -0.063 0.000 0.779 214 P CB 0.403 32.060 31.700 -0.072 0.000 0.780 215 D N -0.900 119.504 120.400 0.007 0.000 2.347 215 D HA -0.042 4.597 4.640 -0.001 0.000 0.215 215 D C 0.723 177.061 176.300 0.062 0.000 0.976 215 D CA 0.427 54.446 54.000 0.032 0.000 0.884 215 D CB -0.072 40.750 40.800 0.037 0.000 0.915 215 D HN 0.146 nan 8.370 nan 0.000 0.526 216 I N 1.272 121.898 120.570 0.092 0.000 2.412 216 I HA 0.219 4.388 4.170 -0.001 0.000 0.296 216 I C 0.312 176.510 176.117 0.135 0.000 0.987 216 I CA -1.177 60.210 61.300 0.144 0.000 1.180 216 I CB 1.609 39.776 38.000 0.279 0.000 1.340 216 I HN -0.056 nan 8.210 nan 0.000 0.455 217 E N 4.589 124.861 120.200 0.119 0.000 2.194 217 E HA 0.505 4.855 4.350 -0.001 0.000 0.284 217 E C -0.806 175.877 176.600 0.138 0.000 1.035 217 E CA -0.542 55.913 56.400 0.092 0.000 0.836 217 E CB 1.087 30.816 29.700 0.048 0.000 1.070 217 E HN 0.716 nan 8.360 nan 0.000 0.401 218 A N 4.583 127.493 122.820 0.150 0.000 2.249 218 A HA 0.465 4.785 4.320 -0.001 0.000 0.314 218 A C -0.840 176.892 177.584 0.246 0.000 1.290 218 A CA -0.609 51.572 52.037 0.240 0.000 0.893 218 A CB 0.929 19.941 19.000 0.019 0.000 1.165 218 A HN 0.425 nan 8.150 nan 0.000 0.530 219 V N 4.281 124.338 119.914 0.238 0.000 2.487 219 V HA 0.299 4.419 4.120 -0.001 0.000 0.298 219 V C -0.075 176.115 176.094 0.160 0.000 1.028 219 V CA -0.678 61.672 62.300 0.084 0.000 0.860 219 V CB 1.542 33.171 31.823 -0.323 0.000 0.991 219 V HN 0.977 nan 8.190 nan 0.000 0.427 220 H N 5.520 124.690 119.070 0.167 0.000 2.481 220 H HA 0.715 5.271 4.556 -0.001 0.000 0.339 220 H C -1.332 174.061 175.328 0.109 0.000 1.131 220 H CA -0.413 55.690 56.048 0.092 0.000 1.301 220 H CB 1.959 31.802 29.762 0.135 0.000 1.476 220 H HN 0.671 nan 8.280 nan 0.000 0.529 221 I N 5.533 125.709 120.570 -0.657 0.000 2.752 221 I HA 0.233 4.403 4.170 -0.001 0.000 0.295 221 I C -0.805 175.072 176.117 -0.400 0.000 1.219 221 I CA -0.871 60.275 61.300 -0.258 0.000 1.030 221 I CB 1.944 39.965 38.000 0.035 0.000 1.259 221 I HN 0.534 nan 8.210 nan 0.000 0.423 222 I N 7.148 127.662 120.570 -0.093 0.000 2.588 222 I HA 0.038 4.208 4.170 -0.001 0.000 0.283 222 I C 1.332 177.424 176.117 -0.040 0.000 1.119 222 I CA 0.079 61.371 61.300 -0.013 0.000 1.419 222 I CB 1.541 39.590 38.000 0.082 0.000 1.394 222 I HN 0.515 nan 8.210 nan 0.000 0.562 223 V N 5.825 125.709 119.914 -0.049 0.000 2.380 223 V HA -0.310 3.810 4.120 -0.001 0.000 0.251 223 V C 1.991 178.070 176.094 -0.025 0.000 1.063 223 V CA 2.775 65.039 62.300 -0.059 0.000 1.055 223 V CB -0.573 31.217 31.823 -0.055 0.000 0.657 223 V HN 1.046 nan 8.190 nan 0.000 0.455 224 D N -0.069 120.337 120.400 0.008 0.000 2.097 224 D HA -0.227 4.413 4.640 -0.001 0.000 0.197 224 D C 1.938 178.279 176.300 0.069 0.000 0.984 224 D CA 1.814 55.831 54.000 0.029 0.000 0.826 224 D CB -1.148 39.670 40.800 0.030 0.000 0.973 224 D HN 0.551 nan 8.370 nan 0.000 0.460 225 N N 1.037 119.789 118.700 0.087 0.000 2.205 225 N HA -0.140 4.600 4.740 -0.001 0.000 0.186 225 N C 1.744 177.345 175.510 0.152 0.000 1.015 225 N CA 2.049 55.205 53.050 0.176 0.000 0.862 225 N CB -0.405 38.177 38.487 0.158 0.000 0.986 225 N HN 0.254 nan 8.380 nan 0.000 0.429 226 A N 0.217 123.066 122.820 0.048 0.000 1.902 226 A HA 0.045 4.365 4.320 -0.001 0.000 0.217 226 A C 2.376 179.914 177.584 -0.076 0.000 1.181 226 A CA 1.912 53.927 52.037 -0.038 0.000 0.623 226 A CB -1.240 17.669 19.000 -0.152 0.000 0.818 226 A HN 0.454 nan 8.150 nan 0.000 0.443 227 A N -0.875 121.927 122.820 -0.031 0.000 1.898 227 A HA -0.199 4.120 4.320 -0.001 0.000 0.216 227 A C 2.107 179.714 177.584 0.040 0.000 1.181 227 A CA 1.714 53.736 52.037 -0.026 0.000 0.620 227 A CB -1.042 17.959 19.000 0.001 0.000 0.819 227 A HN 0.835 nan 8.150 nan 0.000 0.442 228 H N -0.716 118.362 119.070 0.014 0.000 2.319 228 H HA -0.172 4.383 4.556 -0.001 0.000 0.299 228 H C 1.841 177.212 175.328 0.070 0.000 1.092 228 H CA 1.848 57.920 56.048 0.040 0.000 1.302 228 H CB -0.099 29.686 29.762 0.038 0.000 1.373 228 H HN 0.417 nan 8.280 nan 0.000 0.497 229 Q N 0.716 120.352 119.800 -0.273 0.000 2.124 229 Q HA -0.076 4.264 4.340 -0.001 0.000 0.202 229 Q C 2.851 178.903 176.000 0.086 0.000 0.977 229 Q CA 0.741 56.439 55.803 -0.176 0.000 0.850 229 Q CB -0.227 28.573 28.738 0.103 0.000 0.901 229 Q HN 0.545 nan 8.270 nan 0.000 0.429 230 L N -0.109 121.155 121.223 0.068 0.000 2.191 230 L HA -0.140 4.200 4.340 -0.001 0.000 0.212 230 L C 2.192 179.038 176.870 -0.040 0.000 1.103 230 L CA 0.560 55.400 54.840 -0.000 0.000 0.769 230 L CB -0.098 41.842 42.059 -0.199 0.000 0.908 230 L HN 0.025 nan 8.230 nan 0.000 0.438 231 V N -0.868 119.041 119.914 -0.009 0.000 2.575 231 V HA -0.158 3.962 4.120 -0.001 0.000 0.242 231 V C 2.345 178.530 176.094 0.152 0.000 1.045 231 V CA 1.205 63.538 62.300 0.056 0.000 1.065 231 V CB -0.147 31.738 31.823 0.103 0.000 0.717 231 V HN 0.346 nan 8.190 nan 0.000 0.467 232 K N 0.662 121.095 120.400 0.055 0.000 2.031 232 K HA -0.056 4.264 4.320 -0.001 0.000 0.205 232 K C 1.510 178.153 176.600 0.071 0.000 1.049 232 K CA 1.189 57.508 56.287 0.053 0.000 0.939 232 K CB 0.191 32.642 32.500 -0.081 0.000 0.717 232 K HN 0.225 nan 8.250 nan 0.000 0.438 233 R N 0.226 120.734 120.500 0.014 0.000 2.684 233 R HA 0.177 4.517 4.340 -0.001 0.000 0.252 233 R C -2.329 173.969 176.300 -0.003 0.000 1.628 233 R CA -1.013 55.088 56.100 0.002 0.000 1.622 233 R CB 1.220 31.478 30.300 -0.072 0.000 1.418 233 R HN 0.058 nan 8.270 nan 0.000 0.697 234 P HA -0.193 nan 4.420 nan 0.000 0.222 234 P C 0.489 177.835 177.300 0.076 0.000 1.147 234 P CA 1.079 64.242 63.100 0.106 0.000 0.790 234 P CB 0.330 31.981 31.700 -0.081 0.000 0.780 235 E N 1.445 121.647 120.200 0.003 0.000 2.472 235 E HA -0.204 4.146 4.350 -0.001 0.000 0.200 235 E C 1.785 178.342 176.600 -0.072 0.000 1.046 235 E CA 0.727 57.117 56.400 -0.015 0.000 0.871 235 E CB -0.725 28.972 29.700 -0.005 0.000 0.806 235 E HN 0.535 nan 8.360 nan 0.000 0.533 236 Q N -0.062 119.617 119.800 -0.202 0.000 2.331 236 Q HA 0.048 4.388 4.340 -0.001 0.000 0.203 236 Q C 0.044 175.809 176.000 -0.391 0.000 0.944 236 Q CA 0.207 55.802 55.803 -0.347 0.000 0.892 236 Q CB -0.225 28.174 28.738 -0.565 0.000 0.983 236 Q HN 0.100 nan 8.270 nan 0.000 0.482 237 F N 1.209 121.099 119.950 -0.100 0.000 2.379 237 F HA 0.328 4.855 4.527 -0.000 0.000 0.332 237 F C 1.132 176.914 175.800 -0.029 0.000 1.096 237 F CA -0.573 57.364 58.000 -0.106 0.000 1.105 237 F CB 1.431 40.315 39.000 -0.194 0.000 1.189 237 F HN -0.036 nan 8.300 nan 0.000 0.515 238 E N 0.272 120.611 120.200 0.232 0.000 2.870 238 E HA 0.252 4.602 4.350 -0.001 0.000 0.185 238 E C -0.950 175.714 176.600 0.107 0.000 1.084 238 E CA 0.217 56.696 56.400 0.132 0.000 1.246 238 E CB 0.920 30.684 29.700 0.107 0.000 1.382 238 E HN 0.217 nan 8.360 nan 0.000 0.492 239 V N 2.672 122.656 119.914 0.118 0.000 2.540 239 V HA 0.425 4.545 4.120 -0.001 0.000 0.302 239 V C -0.583 175.537 176.094 0.043 0.000 1.035 239 V CA -0.526 61.803 62.300 0.049 0.000 0.873 239 V CB 1.772 33.593 31.823 -0.002 0.000 0.992 239 V HN 0.185 nan 8.190 nan 0.000 0.428 240 I N 4.776 125.321 120.570 -0.042 0.000 2.418 240 I HA 0.536 4.706 4.170 -0.001 0.000 0.287 240 I C -0.732 175.302 176.117 -0.138 0.000 1.008 240 I CA -0.836 60.395 61.300 -0.114 0.000 1.104 240 I CB 2.088 39.938 38.000 -0.250 0.000 1.264 240 I HN 0.388 nan 8.210 nan 0.000 0.438 241 V N 5.935 125.737 119.914 -0.186 0.000 2.555 241 V HA 0.760 4.880 4.120 -0.001 0.000 0.302 241 V C -0.478 175.489 176.094 -0.211 0.000 1.038 241 V CA 0.232 62.426 62.300 -0.177 0.000 0.887 241 V CB 2.060 33.776 31.823 -0.178 0.000 0.991 241 V HN 0.891 nan 8.190 nan 0.000 0.434 242 T N 3.173 117.631 114.554 -0.160 0.000 2.769 242 T HA 0.506 4.855 4.350 -0.001 0.000 0.306 242 T C -0.234 174.391 174.700 -0.126 0.000 1.400 242 T CA 0.210 62.217 62.100 -0.156 0.000 1.007 242 T CB 1.653 70.422 68.868 -0.165 0.000 1.392 242 T HN 1.064 nan 8.240 nan 0.000 0.500 243 T N 1.658 116.141 114.554 -0.117 0.000 2.748 243 T HA 0.220 4.570 4.350 -0.001 0.000 0.304 243 T C 1.460 176.061 174.700 -0.165 0.000 1.041 243 T CA -0.399 61.632 62.100 -0.116 0.000 1.033 243 T CB 0.252 69.064 68.868 -0.093 0.000 0.995 243 T HN 0.596 nan 8.240 nan 0.000 0.536 244 N N 0.289 118.873 118.700 -0.194 0.000 2.027 244 N HA -0.192 4.547 4.740 -0.001 0.000 0.200 244 N C 1.775 176.986 175.510 -0.497 0.000 1.042 244 N CA 2.035 54.904 53.050 -0.302 0.000 0.871 244 N CB -0.448 37.855 38.487 -0.307 0.000 1.063 244 N HN 0.748 nan 8.380 nan 0.000 0.438 245 M N 0.469 119.691 119.600 -0.630 0.000 2.086 245 M HA -0.148 4.332 4.480 -0.001 0.000 0.261 245 M C 1.376 177.510 176.300 -0.277 0.000 1.067 245 M CA 1.352 56.243 55.300 -0.682 0.000 1.116 245 M CB -0.258 32.091 32.600 -0.419 0.000 1.348 245 M HN 0.147 nan 8.290 nan 0.000 0.407 246 N N 0.502 119.085 118.700 -0.194 0.000 2.104 246 N HA -0.121 4.619 4.740 -0.001 0.000 0.190 246 N C 1.660 177.092 175.510 -0.131 0.000 1.024 246 N CA 1.787 54.760 53.050 -0.128 0.000 0.853 246 N CB -0.890 37.527 38.487 -0.116 0.000 1.008 246 N HN 0.513 nan 8.380 nan 0.000 0.424 247 G N 0.397 109.104 108.800 -0.155 0.000 2.422 247 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.218 247 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.218 247 G C 1.323 176.163 174.900 -0.100 0.000 1.140 247 G CA 0.964 45.984 45.100 -0.133 0.000 0.775 247 G HN 0.342 nan 8.290 nan 0.000 0.545 248 D N 0.595 120.933 120.400 -0.103 0.000 2.097 248 D HA -0.101 4.539 4.640 -0.001 0.000 0.195 248 D C 2.440 178.743 176.300 0.005 0.000 0.989 248 D CA 0.893 54.885 54.000 -0.014 0.000 0.827 248 D CB -0.200 40.649 40.800 0.081 0.000 0.966 248 D HN 0.381 nan 8.370 nan 0.000 0.456 249 I N -0.090 120.474 120.570 -0.010 0.000 2.233 249 I HA -0.173 3.997 4.170 -0.001 0.000 0.243 249 I C 2.399 178.497 176.117 -0.032 0.000 1.093 249 I CA 0.521 61.819 61.300 -0.004 0.000 1.380 249 I CB -0.240 37.759 38.000 -0.001 0.000 1.067 249 I HN 0.088 nan 8.210 nan 0.000 0.413 250 L N 0.669 121.851 121.223 -0.067 0.000 2.083 250 L HA -0.188 4.152 4.340 -0.001 0.000 0.209 250 L C 2.830 179.646 176.870 -0.091 0.000 1.083 250 L CA 1.693 56.473 54.840 -0.099 0.000 0.752 250 L CB -0.802 41.167 42.059 -0.151 0.000 0.899 250 L HN 0.388 nan 8.230 nan 0.000 0.433 251 S N -1.073 114.585 115.700 -0.070 0.000 2.383 251 S HA -0.176 4.294 4.470 -0.001 0.000 0.227 251 S C 1.479 176.067 174.600 -0.020 0.000 1.026 251 S CA 1.277 59.447 58.200 -0.050 0.000 0.981 251 S CB -0.337 62.840 63.200 -0.038 0.000 0.818 251 S HN 0.332 nan 8.310 nan 0.000 0.472 252 D N 1.383 121.779 120.400 -0.006 0.000 2.183 252 D HA 0.101 4.740 4.640 -0.001 0.000 0.203 252 D C 1.833 178.138 176.300 0.009 0.000 0.969 252 D CA 0.524 54.534 54.000 0.017 0.000 0.842 252 D CB -0.295 40.523 40.800 0.029 0.000 0.957 252 D HN 0.401 nan 8.370 nan 0.000 0.484 253 L N 0.557 121.772 121.223 -0.014 0.000 2.046 253 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 253 L C 2.190 179.033 176.870 -0.044 0.000 1.077 253 L CA 1.817 56.643 54.840 -0.024 0.000 0.747 253 L CB -0.601 41.432 42.059 -0.044 0.000 0.896 253 L HN 0.150 nan 8.230 nan 0.000 0.432 254 T N -3.318 111.198 114.554 -0.063 0.000 2.904 254 T HA -0.134 4.215 4.350 -0.001 0.000 0.267 254 T C 2.042 176.721 174.700 -0.034 0.000 1.059 254 T CA 1.105 63.157 62.100 -0.081 0.000 1.137 254 T CB -0.663 68.151 68.868 -0.090 0.000 0.879 254 T HN 0.594 nan 8.240 nan 0.000 0.467 255 S N 1.507 117.215 115.700 0.013 0.000 2.402 255 S HA 0.094 4.563 4.470 -0.001 0.000 0.229 255 S C 2.346 176.993 174.600 0.077 0.000 1.021 255 S CA 0.854 59.095 58.200 0.069 0.000 0.974 255 S CB -1.294 61.959 63.200 0.088 0.000 0.800 255 S HN 0.656 nan 8.310 nan 0.000 0.484 256 G N 0.884 109.713 108.800 0.049 0.000 2.776 256 G HA2 0.186 4.146 3.960 -0.001 0.000 0.209 256 G HA3 0.186 4.146 3.960 -0.001 0.000 0.209 256 G C 1.192 176.125 174.900 0.054 0.000 1.145 256 G CA 0.286 45.424 45.100 0.064 0.000 0.791 256 G HN 0.546 nan 8.290 nan 0.000 0.530 257 L N -0.046 121.168 121.223 -0.015 0.000 2.446 257 L HA 0.231 4.570 4.340 -0.001 0.000 0.219 257 L C 1.520 178.393 176.870 0.006 0.000 1.116 257 L CA 0.295 55.071 54.840 -0.106 0.000 0.844 257 L CB 0.195 42.049 42.059 -0.342 0.000 0.970 257 L HN 0.343 nan 8.230 nan 0.000 0.457 258 I N -4.683 115.917 120.570 0.050 0.000 3.994 258 I HA 0.578 4.747 4.170 -0.001 0.000 0.323 258 I C 0.768 176.929 176.117 0.073 0.000 1.501 258 I CA -0.097 61.246 61.300 0.072 0.000 1.112 258 I CB 0.667 38.713 38.000 0.076 0.000 1.254 258 I HN -0.033 nan 8.210 nan 0.000 0.495 259 G N -0.623 108.236 108.800 0.098 0.000 2.485 259 G HA2 0.373 4.332 3.960 -0.001 0.000 0.181 259 G HA3 0.373 4.332 3.960 -0.001 0.000 0.181 259 G C 0.718 175.795 174.900 0.296 0.000 0.999 259 G CA -0.045 45.129 45.100 0.123 0.000 0.721 259 G HN 1.522 nan 8.290 nan 0.000 0.486 260 G N -0.818 108.125 108.800 0.238 0.000 2.592 260 G HA2 0.051 4.010 3.960 -0.001 0.000 0.684 260 G HA3 0.051 4.010 3.960 -0.001 0.000 0.684 260 G C 0.719 175.729 174.900 0.183 0.000 1.291 260 G CA -0.129 45.082 45.100 0.185 0.000 0.891 260 G HN 1.012 nan 8.290 nan 0.000 0.544 261 L N 1.065 122.354 121.223 0.110 0.000 2.349 261 L HA 0.026 4.365 4.340 -0.001 0.000 0.220 261 L C 2.954 179.856 176.870 0.054 0.000 1.130 261 L CA 1.642 56.546 54.840 0.105 0.000 0.791 261 L CB -0.477 41.648 42.059 0.111 0.000 0.918 261 L HN 0.860 nan 8.230 nan 0.000 0.444 262 G N -0.936 107.798 108.800 -0.111 0.000 2.559 262 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.216 262 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.216 262 G C 0.817 175.323 174.900 -0.656 0.000 1.126 262 G CA 0.157 45.000 45.100 -0.428 0.000 0.778 262 G HN 0.349 nan 8.290 nan 0.000 0.543 263 F N 0.320 120.245 119.950 -0.043 0.000 2.764 263 F HA 0.570 5.096 4.527 -0.001 0.000 0.310 263 F C 0.850 176.684 175.800 0.057 0.000 1.124 263 F CA -0.951 56.984 58.000 -0.108 0.000 1.252 263 F CB 0.789 39.652 39.000 -0.229 0.000 1.010 263 F HN 0.112 nan 8.300 nan 0.000 0.518 264 A N 2.752 125.682 122.820 0.183 0.000 2.316 264 A HA 0.627 4.946 4.320 -0.001 0.000 0.324 264 A C -2.637 175.003 177.584 0.093 0.000 1.375 264 A CA -1.479 50.654 52.037 0.160 0.000 0.882 264 A CB 0.271 19.348 19.000 0.129 0.000 1.152 264 A HN -0.065 nan 8.150 nan 0.000 0.512 265 P HA 0.570 nan 4.420 nan 0.000 0.280 265 P C -0.364 176.967 177.300 0.052 0.000 1.272 265 P CA -0.299 62.840 63.100 0.066 0.000 0.819 265 P CB 1.870 33.632 31.700 0.102 0.000 1.122 266 S N -1.268 114.454 115.700 0.037 0.000 2.588 266 S HA 0.772 5.242 4.470 -0.001 0.000 0.269 266 S C -1.704 172.902 174.600 0.010 0.000 1.157 266 S CA -0.850 57.358 58.200 0.014 0.000 0.824 266 S CB 1.125 64.303 63.200 -0.036 0.000 1.126 266 S HN 0.647 nan 8.310 nan 0.000 0.464 267 A N 1.787 124.574 122.820 -0.055 0.000 2.359 267 A HA 0.727 5.047 4.320 -0.001 0.000 0.303 267 A C -0.955 176.430 177.584 -0.332 0.000 1.066 267 A CA -0.854 51.044 52.037 -0.231 0.000 0.730 267 A CB 0.922 19.897 19.000 -0.043 0.000 1.211 267 A HN 0.747 nan 8.150 nan 0.000 0.439 268 N N 3.043 121.449 118.700 -0.491 0.000 2.500 268 N HA 0.316 5.056 4.740 -0.001 0.000 0.236 268 N C -0.916 174.305 175.510 -0.482 0.000 1.022 268 N CA -0.151 52.657 53.050 -0.402 0.000 0.935 268 N CB 1.159 39.455 38.487 -0.319 0.000 1.147 268 N HN 0.466 nan 8.380 nan 0.000 0.512 269 I N 1.249 121.544 120.570 -0.458 0.000 2.377 269 I HA 0.506 4.676 4.170 -0.001 0.000 0.293 269 I C 0.984 176.811 176.117 -0.483 0.000 0.987 269 I CA -0.567 60.491 61.300 -0.403 0.000 1.185 269 I CB 1.191 39.068 38.000 -0.204 0.000 1.341 269 I HN 0.370 nan 8.210 nan 0.000 0.455 270 G N 4.226 112.880 108.800 -0.244 0.000 2.798 270 G HA2 0.317 4.277 3.960 -0.001 0.000 0.286 270 G HA3 0.317 4.277 3.960 -0.001 0.000 0.286 270 G C 0.262 175.212 174.900 0.084 0.000 1.389 270 G CA -0.435 44.599 45.100 -0.109 0.000 0.894 270 G HN 0.498 nan 8.290 nan 0.000 0.488 271 N N -0.231 118.588 118.700 0.199 0.000 2.300 271 N HA -0.049 4.691 4.740 -0.001 0.000 0.179 271 N C 1.272 176.874 175.510 0.154 0.000 1.016 271 N CA 0.894 54.063 53.050 0.198 0.000 0.876 271 N CB 0.517 39.131 38.487 0.212 0.000 0.979 271 N HN 0.527 nan 8.380 nan 0.000 0.432 272 E N 0.112 120.395 120.200 0.139 0.000 2.447 272 E HA 0.193 4.543 4.350 -0.001 0.000 0.204 272 E C 0.040 176.692 176.600 0.087 0.000 0.977 272 E CA 0.123 56.595 56.400 0.119 0.000 0.950 272 E CB 1.353 31.131 29.700 0.130 0.000 0.975 272 E HN -0.022 nan 8.360 nan 0.000 0.496 273 V N 0.231 120.179 119.914 0.056 0.000 3.087 273 V HA 0.699 4.818 4.120 -0.001 0.000 0.306 273 V C -1.221 174.791 176.094 -0.137 0.000 1.187 273 V CA -1.064 61.209 62.300 -0.045 0.000 0.999 273 V CB 2.132 33.890 31.823 -0.108 0.000 1.049 273 V HN 0.083 nan 8.190 nan 0.000 0.431 274 A N 3.790 126.446 122.820 -0.275 0.000 2.381 274 A HA 0.928 5.248 4.320 -0.001 0.000 0.299 274 A C -1.244 175.958 177.584 -0.637 0.000 1.049 274 A CA -0.388 51.299 52.037 -0.584 0.000 0.715 274 A CB 1.121 19.511 19.000 -1.016 0.000 1.222 274 A HN 0.721 nan 8.150 nan 0.000 0.428 275 I N 2.310 122.427 120.570 -0.755 0.000 2.418 275 I HA 0.411 4.581 4.170 -0.001 0.000 0.287 275 I C -1.332 174.324 176.117 -0.769 0.000 1.008 275 I CA -0.284 60.678 61.300 -0.563 0.000 1.104 275 I CB 1.516 39.334 38.000 -0.305 0.000 1.264 275 I HN 0.551 nan 8.210 nan 0.000 0.438 276 F N 5.120 124.970 119.950 -0.166 0.000 2.420 276 F HA 0.562 5.088 4.527 -0.001 0.000 0.342 276 F C 0.422 176.154 175.800 -0.113 0.000 1.113 276 F CA -0.448 57.469 58.000 -0.138 0.000 1.059 276 F CB 1.315 40.236 39.000 -0.132 0.000 1.128 276 F HN 0.476 nan 8.300 nan 0.000 0.475 277 E N 1.366 121.571 120.200 0.008 0.000 2.416 277 E HA 0.757 5.106 4.350 -0.001 0.000 0.280 277 E C -1.777 174.764 176.600 -0.097 0.000 1.055 277 E CA -1.399 54.967 56.400 -0.058 0.000 0.825 277 E CB 1.381 31.021 29.700 -0.099 0.000 1.312 277 E HN 0.605 nan 8.360 nan 0.000 0.452 278 A N 0.877 123.574 122.820 -0.205 0.000 2.313 278 A HA 0.400 4.720 4.320 -0.001 0.000 0.261 278 A C 0.917 178.335 177.584 -0.277 0.000 1.090 278 A CA -0.315 51.543 52.037 -0.299 0.000 0.807 278 A CB 0.806 19.389 19.000 -0.695 0.000 1.055 278 A HN 0.462 nan 8.150 nan 0.000 0.492 279 V N 0.569 120.377 119.914 -0.176 0.000 2.719 279 V HA -0.060 4.060 4.120 -0.001 0.000 0.252 279 V C 1.206 177.264 176.094 -0.061 0.000 1.065 279 V CA 1.907 64.159 62.300 -0.080 0.000 1.086 279 V CB -1.629 30.193 31.823 -0.002 0.000 0.700 279 V HN 1.026 nan 8.190 nan 0.000 0.467 280 H N -0.168 118.901 119.070 -0.002 0.000 2.660 280 H HA 0.562 5.117 4.556 -0.001 0.000 0.374 280 H C 0.562 175.888 175.328 -0.004 0.000 1.291 280 H CA -0.030 56.017 56.048 -0.003 0.000 1.437 280 H CB 0.227 29.979 29.762 -0.016 0.000 1.509 280 H HN 0.094 nan 8.280 nan 0.000 0.614 281 G N -0.847 108.116 108.800 0.271 0.000 2.641 281 G HA2 0.276 4.235 3.960 -0.001 0.000 0.239 281 G HA3 0.276 4.235 3.960 -0.001 0.000 0.239 281 G C 0.662 175.689 174.900 0.211 0.000 1.402 281 G CA -0.366 44.839 45.100 0.174 0.000 1.046 281 G HN 0.829 nan 8.290 nan 0.000 0.565 282 S N -1.255 114.507 115.700 0.102 0.000 2.527 282 S HA 0.325 4.795 4.470 -0.001 0.000 0.222 282 S C 1.469 176.102 174.600 0.056 0.000 0.985 282 S CA 1.063 59.307 58.200 0.074 0.000 0.921 282 S CB -0.296 62.926 63.200 0.038 0.000 0.772 282 S HN 2.154 nan 8.310 nan 0.000 0.529 283 A N 2.511 125.364 122.820 0.055 0.000 2.046 283 A HA -0.086 4.234 4.320 -0.001 0.000 0.265 283 A C -0.782 176.813 177.584 0.018 0.000 1.343 283 A CA 0.505 52.574 52.037 0.053 0.000 0.749 283 A CB -1.595 17.467 19.000 0.103 0.000 1.171 283 A HN 0.507 nan 8.150 nan 0.000 0.316 284 P HA -0.175 nan 4.420 nan 0.000 0.218 284 P C 1.393 178.637 177.300 -0.094 0.000 1.149 284 P CA 1.750 64.825 63.100 -0.041 0.000 0.817 284 P CB -0.050 31.628 31.700 -0.037 0.000 0.785 285 K N -1.539 118.741 120.400 -0.200 0.000 2.365 285 K HA -0.094 4.225 4.320 -0.001 0.000 0.199 285 K C 1.177 177.543 176.600 -0.390 0.000 1.045 285 K CA 1.157 57.247 56.287 -0.328 0.000 0.962 285 K CB -0.663 31.551 32.500 -0.478 0.000 0.759 285 K HN 0.106 nan 8.250 nan 0.000 0.469 286 Y N 1.437 121.662 120.300 -0.124 0.000 2.462 286 Y HA 0.346 4.896 4.550 -0.001 0.000 0.261 286 Y C 0.938 176.784 175.900 -0.090 0.000 1.146 286 Y CA -0.691 57.327 58.100 -0.138 0.000 1.283 286 Y CB 0.049 38.412 38.460 -0.163 0.000 1.090 286 Y HN 0.074 nan 8.280 nan 0.000 0.526 287 A N 0.465 123.312 122.820 0.046 0.000 2.548 287 A HA 0.381 4.701 4.320 -0.001 0.000 0.247 287 A C 1.724 179.315 177.584 0.011 0.000 1.067 287 A CA 0.927 52.978 52.037 0.023 0.000 0.757 287 A CB -0.831 18.171 19.000 0.003 0.000 0.996 287 A HN 0.930 nan 8.150 nan 0.000 0.504 288 G N 2.069 110.877 108.800 0.012 0.000 2.189 288 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.267 288 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.267 288 G C 0.717 175.623 174.900 0.011 0.000 0.975 288 G CA 0.956 46.059 45.100 0.006 0.000 0.644 288 G HN 0.834 nan 8.290 nan 0.000 0.537 289 K N 0.026 120.440 120.400 0.024 0.000 2.387 289 K HA 0.184 4.504 4.320 -0.001 0.000 0.198 289 K C 1.124 177.744 176.600 0.034 0.000 1.022 289 K CA 0.200 56.505 56.287 0.030 0.000 1.128 289 K CB 0.157 32.683 32.500 0.044 0.000 0.853 289 K HN 0.339 nan 8.250 nan 0.000 0.523 290 N N 0.913 119.627 118.700 0.023 0.000 2.716 290 N HA -0.168 4.571 4.740 -0.001 0.000 0.250 290 N C 0.148 175.670 175.510 0.019 0.000 1.033 290 N CA 0.869 53.928 53.050 0.016 0.000 0.727 290 N CB -1.004 37.492 38.487 0.015 0.000 0.950 290 N HN 0.190 nan 8.380 nan 0.000 0.541 291 V N -3.560 116.367 119.914 0.021 0.000 3.451 291 V HA 0.473 4.592 4.120 -0.001 0.000 0.288 291 V C 0.940 177.007 176.094 -0.044 0.000 1.502 291 V CA -0.242 62.079 62.300 0.035 0.000 1.026 291 V CB -0.119 31.794 31.823 0.150 0.000 0.840 291 V HN 0.217 nan 8.190 nan 0.000 0.437 292 I N 3.293 123.799 120.570 -0.106 0.000 2.692 292 I HA 0.308 4.478 4.170 -0.001 0.000 0.284 292 I C 0.432 176.400 176.117 -0.248 0.000 1.159 292 I CA 0.264 61.434 61.300 -0.217 0.000 1.423 292 I CB 0.681 38.580 38.000 -0.168 0.000 1.380 292 I HN 0.394 nan 8.210 nan 0.000 0.580 293 N N 8.947 127.431 118.700 -0.359 0.000 2.401 293 N HA 0.260 5.000 4.740 -0.001 0.000 0.255 293 N C -2.026 173.292 175.510 -0.321 0.000 1.110 293 N CA -2.011 50.768 53.050 -0.453 0.000 0.949 293 N CB 0.861 38.971 38.487 -0.629 0.000 1.110 293 N HN 0.358 nan 8.380 nan 0.000 0.490 294 P HA 0.066 nan 4.420 nan 0.000 0.253 294 P C 0.585 177.882 177.300 -0.005 0.000 1.260 294 P CA 0.188 63.268 63.100 -0.034 0.000 0.800 294 P CB 0.307 32.030 31.700 0.039 0.000 1.162 295 T N 0.609 115.109 114.554 -0.091 0.000 2.684 295 T HA -0.155 4.195 4.350 -0.001 0.000 0.267 295 T C 2.033 176.701 174.700 -0.052 0.000 1.036 295 T CA 1.978 64.038 62.100 -0.067 0.000 1.148 295 T CB -0.661 68.045 68.868 -0.270 0.000 0.863 295 T HN 0.127 nan 8.240 nan 0.000 0.436 296 A N 0.963 123.737 122.820 -0.077 0.000 1.883 296 A HA -0.098 4.221 4.320 -0.001 0.000 0.217 296 A C 2.606 180.202 177.584 0.020 0.000 1.186 296 A CA 1.727 53.773 52.037 0.014 0.000 0.624 296 A CB -1.105 17.954 19.000 0.098 0.000 0.822 296 A HN 0.367 nan 8.150 nan 0.000 0.444 297 V N -0.345 119.588 119.914 0.032 0.000 2.427 297 V HA -0.205 3.914 4.120 -0.001 0.000 0.248 297 V C 2.478 178.579 176.094 0.011 0.000 1.051 297 V CA 1.816 64.121 62.300 0.008 0.000 1.048 297 V CB -0.805 31.031 31.823 0.022 0.000 0.666 297 V HN 0.595 nan 8.190 nan 0.000 0.456 298 L N -0.083 121.151 121.223 0.019 0.000 2.012 298 L HA -0.148 4.191 4.340 -0.001 0.000 0.210 298 L C 2.188 179.071 176.870 0.021 0.000 1.073 298 L CA 1.960 56.810 54.840 0.016 0.000 0.748 298 L CB -0.566 41.509 42.059 0.026 0.000 0.891 298 L HN 0.203 nan 8.230 nan 0.000 0.431 299 L N -1.072 120.178 121.223 0.045 0.000 2.191 299 L HA -0.169 4.171 4.340 -0.001 0.000 0.212 299 L C 2.395 179.292 176.870 0.045 0.000 1.103 299 L CA 1.085 55.966 54.840 0.068 0.000 0.769 299 L CB -0.553 41.581 42.059 0.125 0.000 0.908 299 L HN 0.263 nan 8.230 nan 0.000 0.438 300 S N -0.091 115.633 115.700 0.040 0.000 2.387 300 S HA -0.092 4.378 4.470 -0.001 0.000 0.226 300 S C 2.202 176.789 174.600 -0.021 0.000 1.026 300 S CA 1.045 59.282 58.200 0.060 0.000 0.972 300 S CB -0.154 63.089 63.200 0.073 0.000 0.814 300 S HN 0.500 nan 8.310 nan 0.000 0.477 301 A N 1.020 123.814 122.820 -0.044 0.000 1.969 301 A HA 0.005 4.325 4.320 -0.001 0.000 0.218 301 A C 2.242 179.732 177.584 -0.158 0.000 1.169 301 A CA 1.098 53.072 52.037 -0.105 0.000 0.635 301 A CB -0.649 18.322 19.000 -0.049 0.000 0.810 301 A HN 0.347 nan 8.150 nan 0.000 0.445 302 V N -0.157 119.701 119.914 -0.093 0.000 2.379 302 V HA -0.275 3.844 4.120 -0.001 0.000 0.245 302 V C 2.582 178.589 176.094 -0.146 0.000 1.044 302 V CA 2.090 64.343 62.300 -0.079 0.000 1.036 302 V CB -0.675 31.146 31.823 -0.003 0.000 0.664 302 V HN 0.577 nan 8.190 nan 0.000 0.453 303 M N -1.011 118.491 119.600 -0.164 0.000 2.159 303 M HA -0.218 4.262 4.480 -0.001 0.000 0.263 303 M C 2.276 178.239 176.300 -0.563 0.000 1.063 303 M CA 2.033 57.209 55.300 -0.206 0.000 1.110 303 M CB -0.413 32.191 32.600 0.007 0.000 1.374 303 M HN 0.356 nan 8.290 nan 0.000 0.411 304 M N 0.684 119.669 119.600 -1.025 0.000 2.117 304 M HA -0.199 4.281 4.480 -0.001 0.000 0.262 304 M C 1.955 177.900 176.300 -0.593 0.000 1.065 304 M CA 1.710 56.080 55.300 -1.550 0.000 1.114 304 M CB -0.078 31.823 32.600 -1.165 0.000 1.361 304 M HN 0.243 nan 8.290 nan 0.000 0.408 305 L N -0.094 120.910 121.223 -0.364 0.000 2.012 305 L HA -0.236 4.104 4.340 -0.001 0.000 0.210 305 L C 2.675 179.391 176.870 -0.258 0.000 1.073 305 L CA 1.472 56.173 54.840 -0.232 0.000 0.748 305 L CB -0.663 41.305 42.059 -0.152 0.000 0.891 305 L HN 0.339 nan 8.230 nan 0.000 0.431 306 R N -1.297 119.077 120.500 -0.210 0.000 2.115 306 R HA -0.192 4.148 4.340 -0.001 0.000 0.230 306 R C 2.242 178.462 176.300 -0.134 0.000 1.111 306 R CA 1.340 57.340 56.100 -0.167 0.000 0.976 306 R CB -0.508 29.814 30.300 0.036 0.000 0.870 306 R HN 0.321 nan 8.270 nan 0.000 0.445 307 Y N 1.601 121.764 120.300 -0.227 0.000 2.224 307 Y HA -0.138 4.412 4.550 -0.001 0.000 0.289 307 Y C 1.784 177.607 175.900 -0.128 0.000 1.146 307 Y CA 1.389 59.432 58.100 -0.095 0.000 1.182 307 Y CB -0.102 38.349 38.460 -0.015 0.000 0.983 307 Y HN -0.059 nan 8.280 nan 0.000 0.524 308 L N 0.450 121.631 121.223 -0.070 0.000 2.610 308 L HA -0.053 4.287 4.340 -0.001 0.000 0.232 308 L C 0.495 177.188 176.870 -0.295 0.000 1.149 308 L CA 0.960 55.720 54.840 -0.132 0.000 0.872 308 L CB -0.432 41.569 42.059 -0.096 0.000 0.992 308 L HN 0.271 nan 8.230 nan 0.000 0.447 309 E N -0.572 119.304 120.200 -0.541 0.000 2.868 309 E HA -0.187 4.163 4.350 -0.001 0.000 0.278 309 E C -0.201 175.842 176.600 -0.928 0.000 1.009 309 E CA 0.265 56.062 56.400 -1.004 0.000 0.856 309 E CB -0.952 28.533 29.700 -0.358 0.000 1.428 309 E HN 0.408 nan 8.360 nan 0.000 0.423 310 E N -0.135 119.667 120.200 -0.664 0.000 2.427 310 E HA 0.109 4.459 4.350 -0.001 0.000 0.259 310 E C 0.556 176.995 176.600 -0.269 0.000 1.267 310 E CA -0.166 56.033 56.400 -0.334 0.000 1.425 310 E CB -0.333 29.250 29.700 -0.194 0.000 1.482 310 E HN 0.228 nan 8.360 nan 0.000 0.460 311 F N 0.887 120.850 119.950 0.022 0.000 2.161 311 F HA -0.220 4.306 4.527 -0.000 0.000 0.300 311 F C 2.337 178.152 175.800 0.025 0.000 1.089 311 F CA 1.164 59.186 58.000 0.037 0.000 1.282 311 F CB -0.796 38.232 39.000 0.047 0.000 1.010 311 F HN 0.315 nan 8.300 nan 0.000 0.485 312 A N -0.008 122.920 122.820 0.180 0.000 1.865 312 A HA -0.197 4.123 4.320 -0.001 0.000 0.217 312 A C 2.281 179.902 177.584 0.061 0.000 1.191 312 A CA 2.461 54.560 52.037 0.104 0.000 0.623 312 A CB -1.400 17.643 19.000 0.071 0.000 0.826 312 A HN 0.365 nan 8.150 nan 0.000 0.444 313 T N 0.339 114.911 114.554 0.029 0.000 2.788 313 T HA 0.004 4.354 4.350 -0.001 0.000 0.268 313 T C 2.201 176.911 174.700 0.016 0.000 1.044 313 T CA 1.526 63.632 62.100 0.009 0.000 1.139 313 T CB -0.481 68.378 68.868 -0.015 0.000 0.867 313 T HN 0.608 nan 8.240 nan 0.000 0.454 314 A N 2.190 125.023 122.820 0.020 0.000 1.883 314 A HA -0.181 4.139 4.320 -0.001 0.000 0.217 314 A C 2.149 179.770 177.584 0.062 0.000 1.186 314 A CA 1.807 53.863 52.037 0.031 0.000 0.624 314 A CB -0.692 18.336 19.000 0.047 0.000 0.822 314 A HN 0.348 nan 8.150 nan 0.000 0.444 315 D N -0.513 119.939 120.400 0.087 0.000 2.117 315 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 315 D C 1.879 178.211 176.300 0.055 0.000 0.987 315 D CA 1.274 55.323 54.000 0.081 0.000 0.829 315 D CB -0.453 40.399 40.800 0.087 0.000 0.961 315 D HN 0.330 nan 8.370 nan 0.000 0.460 316 L N 1.042 122.289 121.223 0.040 0.000 1.970 316 L HA -0.143 4.196 4.340 -0.001 0.000 0.212 316 L C 2.245 179.128 176.870 0.021 0.000 1.071 316 L CA 1.497 56.350 54.840 0.021 0.000 0.751 316 L CB -0.627 41.439 42.059 0.013 0.000 0.889 316 L HN -0.012 nan 8.230 nan 0.000 0.432 317 I N -0.588 119.995 120.570 0.021 0.000 2.179 317 I HA -0.306 3.864 4.170 -0.001 0.000 0.242 317 I C 2.544 178.682 176.117 0.036 0.000 1.088 317 I CA 1.808 63.118 61.300 0.018 0.000 1.357 317 I CB -0.413 37.593 38.000 0.010 0.000 1.051 317 I HN 0.459 nan 8.210 nan 0.000 0.409 318 E N 1.040 121.272 120.200 0.053 0.000 2.150 318 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 318 E C 1.931 178.588 176.600 0.095 0.000 0.985 318 E CA 1.072 57.522 56.400 0.082 0.000 0.814 318 E CB 0.110 29.866 29.700 0.094 0.000 0.752 318 E HN 0.413 nan 8.360 nan 0.000 0.466 319 N N 0.366 119.112 118.700 0.077 0.000 2.142 319 N HA -0.112 4.627 4.740 -0.001 0.000 0.186 319 N C 1.685 177.258 175.510 0.105 0.000 1.023 319 N CA 1.186 54.286 53.050 0.085 0.000 0.852 319 N CB -0.321 38.195 38.487 0.049 0.000 0.998 319 N HN 0.231 nan 8.380 nan 0.000 0.424 320 A N 1.515 124.375 122.820 0.067 0.000 1.865 320 A HA -0.139 4.181 4.320 -0.001 0.000 0.217 320 A C 2.262 179.902 177.584 0.094 0.000 1.191 320 A CA 1.206 53.287 52.037 0.072 0.000 0.623 320 A CB -0.890 18.121 19.000 0.019 0.000 0.826 320 A HN 0.264 nan 8.150 nan 0.000 0.444 321 L N -0.106 121.150 121.223 0.055 0.000 1.989 321 L HA -0.156 4.184 4.340 -0.001 0.000 0.211 321 L C 2.301 179.230 176.870 0.099 0.000 1.071 321 L CA 1.990 56.851 54.840 0.035 0.000 0.749 321 L CB -0.617 41.477 42.059 0.058 0.000 0.890 321 L HN 0.406 nan 8.230 nan 0.000 0.431 322 L N -1.718 119.596 121.223 0.151 0.000 2.083 322 L HA -0.244 4.096 4.340 -0.001 0.000 0.209 322 L C 2.557 179.518 176.870 0.153 0.000 1.083 322 L CA 1.541 56.487 54.840 0.177 0.000 0.752 322 L CB -0.845 41.321 42.059 0.178 0.000 0.899 322 L HN 0.400 nan 8.230 nan 0.000 0.433 323 Y N 0.984 121.310 120.300 0.042 0.000 2.181 323 Y HA -0.271 4.278 4.550 -0.001 0.000 0.288 323 Y C 2.653 178.566 175.900 0.022 0.000 1.146 323 Y CA 2.060 60.176 58.100 0.027 0.000 1.164 323 Y CB -0.535 37.932 38.460 0.012 0.000 0.982 323 Y HN 0.056 nan 8.280 nan 0.000 0.515 324 T N 1.250 115.803 114.554 -0.001 0.000 2.720 324 T HA -0.199 4.150 4.350 -0.001 0.000 0.268 324 T C 2.035 176.695 174.700 -0.067 0.000 1.037 324 T CA 1.896 63.945 62.100 -0.085 0.000 1.144 324 T CB -0.536 68.281 68.868 -0.085 0.000 0.864 324 T HN 0.317 nan 8.240 nan 0.000 0.444 325 L N 0.458 121.692 121.223 0.017 0.000 2.093 325 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 325 L C 2.762 179.626 176.870 -0.010 0.000 1.085 325 L CA 1.278 56.152 54.840 0.056 0.000 0.755 325 L CB -0.473 41.660 42.059 0.124 0.000 0.904 325 L HN 0.314 nan 8.230 nan 0.000 0.435 326 E N 0.355 120.523 120.200 -0.053 0.000 2.110 326 E HA -0.284 4.065 4.350 -0.001 0.000 0.193 326 E C 2.080 178.591 176.600 -0.149 0.000 0.988 326 E CA 1.273 57.624 56.400 -0.081 0.000 0.804 326 E CB 0.147 29.804 29.700 -0.071 0.000 0.745 326 E HN 0.432 nan 8.360 nan 0.000 0.458 327 E N -0.575 119.460 120.200 -0.274 0.000 2.152 327 E HA -0.093 4.257 4.350 -0.001 0.000 0.192 327 E C 1.019 177.544 176.600 -0.125 0.000 0.983 327 E CA 0.807 57.052 56.400 -0.258 0.000 0.818 327 E CB -0.101 29.359 29.700 -0.400 0.000 0.758 327 E HN 0.361 nan 8.360 nan 0.000 0.467 328 G N 1.314 110.063 108.800 -0.084 0.000 2.283 328 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.280 328 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.280 328 G C 0.849 175.736 174.900 -0.021 0.000 1.029 328 G CA 0.673 45.755 45.100 -0.031 0.000 0.840 328 G HN 0.163 nan 8.290 nan 0.000 0.505 329 R N -1.213 119.273 120.500 -0.024 0.000 2.128 329 R HA 0.184 4.523 4.340 -0.001 0.000 0.211 329 R C 0.932 177.243 176.300 0.018 0.000 1.067 329 R CA 0.990 57.085 56.100 -0.009 0.000 1.010 329 R CB 0.335 30.625 30.300 -0.017 0.000 0.922 329 R HN 0.461 nan 8.270 nan 0.000 0.457 330 V N 3.047 122.989 119.914 0.048 0.000 2.289 330 V HA 0.367 4.487 4.120 -0.001 0.000 0.272 330 V C -0.307 175.902 176.094 0.193 0.000 1.026 330 V CA -0.408 61.956 62.300 0.106 0.000 0.807 330 V CB 1.328 33.223 31.823 0.120 0.000 1.044 330 V HN 0.012 nan 8.190 nan 0.000 0.443 331 L N 3.777 125.048 121.223 0.081 0.000 2.334 331 L HA 0.636 4.975 4.340 -0.001 0.000 0.276 331 L C 0.879 177.665 176.870 -0.140 0.000 1.014 331 L CA -0.516 54.332 54.840 0.013 0.000 0.815 331 L CB 2.503 44.561 42.059 -0.002 0.000 1.268 331 L HN 0.652 nan 8.230 nan 0.000 0.428 332 T N -1.265 113.084 114.554 -0.341 0.000 2.766 332 T HA 0.125 4.475 4.350 -0.001 0.000 0.295 332 T C 1.411 175.861 174.700 -0.416 0.000 1.024 332 T CA -0.067 61.777 62.100 -0.427 0.000 1.018 332 T CB 1.247 69.734 68.868 -0.636 0.000 1.002 332 T HN 0.742 nan 8.240 nan 0.000 0.532 333 G N 0.896 109.354 108.800 -0.570 0.000 2.485 333 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.221 333 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.221 333 G C 1.166 175.394 174.900 -1.119 0.000 1.115 333 G CA 0.951 45.427 45.100 -1.040 0.000 0.751 333 G HN 0.961 nan 8.290 nan 0.000 0.567 334 D N 0.270 120.216 120.400 -0.756 0.000 2.371 334 D HA -0.020 4.620 4.640 -0.001 0.000 0.221 334 D C 2.023 178.226 176.300 -0.161 0.000 0.986 334 D CA 0.563 54.344 54.000 -0.366 0.000 0.899 334 D CB -0.112 40.556 40.800 -0.221 0.000 0.902 334 D HN 0.317 nan 8.370 nan 0.000 0.530 335 V N 0.299 120.108 119.914 -0.174 0.000 2.908 335 V HA -0.026 4.094 4.120 -0.001 0.000 0.240 335 V C 2.201 178.242 176.094 -0.089 0.000 1.117 335 V CA 0.971 63.236 62.300 -0.059 0.000 1.133 335 V CB 0.707 32.529 31.823 -0.002 0.000 0.857 335 V HN 0.296 nan 8.190 nan 0.000 0.478 336 V N -1.854 117.974 119.914 -0.143 0.000 3.528 336 V HA 0.813 4.933 4.120 -0.001 0.000 0.294 336 V C 0.618 176.637 176.094 -0.124 0.000 1.404 336 V CA 0.104 62.339 62.300 -0.108 0.000 1.065 336 V CB -0.334 31.437 31.823 -0.086 0.000 0.904 336 V HN 0.842 nan 8.190 nan 0.000 0.435 337 G N -0.308 108.368 108.800 -0.208 0.000 2.784 337 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 337 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 337 G C -0.616 174.141 174.900 -0.239 0.000 1.156 337 G CA -0.158 44.843 45.100 -0.165 0.000 0.757 337 G HN 0.230 nan 8.290 nan 0.000 0.642 338 Y N 0.311 120.606 120.300 -0.009 0.000 2.578 338 Y HA 0.154 4.704 4.550 -0.001 0.000 0.297 338 Y C 2.201 178.102 175.900 0.002 0.000 1.176 338 Y CA 1.186 59.282 58.100 -0.007 0.000 1.315 338 Y CB 0.356 38.837 38.460 0.037 0.000 1.031 338 Y HN 0.697 nan 8.280 nan 0.000 0.524 339 D N -0.475 119.977 120.400 0.086 0.000 2.366 339 D HA 0.041 4.681 4.640 -0.001 0.000 0.205 339 D C 1.563 177.876 176.300 0.022 0.000 1.022 339 D CA 0.751 54.786 54.000 0.059 0.000 0.868 339 D CB 0.326 41.154 40.800 0.047 0.000 0.953 339 D HN 0.139 nan 8.370 nan 0.000 0.514 340 R N -0.873 119.621 120.500 -0.010 0.000 2.541 340 R HA 0.307 4.646 4.340 -0.001 0.000 0.332 340 R C 0.783 177.053 176.300 -0.050 0.000 0.951 340 R CA -0.032 56.054 56.100 -0.023 0.000 1.136 340 R CB 1.439 31.724 30.300 -0.025 0.000 1.449 340 R HN -0.044 nan 8.270 nan 0.000 0.531 341 G N 1.255 110.000 108.800 -0.092 0.000 2.441 341 G HA2 0.387 4.346 3.960 -0.001 0.000 0.243 341 G HA3 0.387 4.346 3.960 -0.001 0.000 0.243 341 G C 0.117 174.969 174.900 -0.080 0.000 1.281 341 G CA -0.204 44.810 45.100 -0.142 0.000 0.854 341 G HN 0.220 nan 8.290 nan 0.000 0.560 342 A N 2.424 125.200 122.820 -0.074 0.000 2.425 342 A HA 0.470 4.790 4.320 -0.001 0.000 0.242 342 A C 0.775 178.343 177.584 -0.026 0.000 1.077 342 A CA -0.264 51.761 52.037 -0.020 0.000 0.781 342 A CB 0.397 19.416 19.000 0.032 0.000 1.020 342 A HN 0.571 nan 8.150 nan 0.000 0.494 343 K N 0.825 121.231 120.400 0.010 0.000 2.219 343 K HA 0.162 4.482 4.320 -0.001 0.000 0.258 343 K C 1.468 178.084 176.600 0.026 0.000 1.008 343 K CA 0.159 56.454 56.287 0.014 0.000 0.928 343 K CB 0.193 32.708 32.500 0.024 0.000 0.983 343 K HN 0.755 nan 8.250 nan 0.000 0.484 344 T N 0.937 115.498 114.554 0.012 0.000 2.684 344 T HA -0.163 4.186 4.350 -0.001 0.000 0.267 344 T C 1.822 176.567 174.700 0.074 0.000 1.036 344 T CA 2.430 64.547 62.100 0.029 0.000 1.148 344 T CB -0.260 68.608 68.868 0.000 0.000 0.863 344 T HN 0.798 nan 8.240 nan 0.000 0.436 345 T N 1.083 115.664 114.554 0.045 0.000 2.833 345 T HA -0.070 4.280 4.350 -0.001 0.000 0.269 345 T C 1.731 176.459 174.700 0.046 0.000 1.054 345 T CA 1.129 63.252 62.100 0.037 0.000 1.135 345 T CB -0.339 68.541 68.868 0.021 0.000 0.869 345 T HN 0.518 nan 8.240 nan 0.000 0.466 346 E N -0.035 120.202 120.200 0.060 0.000 2.072 346 E HA -0.048 4.302 4.350 -0.001 0.000 0.190 346 E C 1.924 178.580 176.600 0.093 0.000 0.982 346 E CA 0.889 57.325 56.400 0.061 0.000 0.803 346 E CB -0.326 29.407 29.700 0.056 0.000 0.755 346 E HN 0.560 nan 8.360 nan 0.000 0.453 347 Y N 2.289 122.575 120.300 -0.023 0.000 2.145 347 Y HA -0.241 4.309 4.550 -0.001 0.000 0.286 347 Y C 2.389 178.279 175.900 -0.016 0.000 1.145 347 Y CA 1.860 59.945 58.100 -0.025 0.000 1.148 347 Y CB -0.529 37.904 38.460 -0.046 0.000 0.981 347 Y HN -0.083 nan 8.280 nan 0.000 0.507 348 T N -0.010 114.566 114.554 0.036 0.000 2.652 348 T HA -0.234 4.116 4.350 -0.001 0.000 0.267 348 T C 1.658 176.315 174.700 -0.071 0.000 1.039 348 T CA 1.706 63.777 62.100 -0.049 0.000 1.153 348 T CB -0.387 68.485 68.868 0.007 0.000 0.863 348 T HN 0.274 nan 8.240 nan 0.000 0.428 349 E N 1.617 121.801 120.200 -0.028 0.000 2.097 349 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 349 E C 2.208 178.786 176.600 -0.036 0.000 1.000 349 E CA 1.589 57.975 56.400 -0.023 0.000 0.804 349 E CB -0.711 28.987 29.700 -0.003 0.000 0.740 349 E HN 0.448 nan 8.360 nan 0.000 0.454 350 A N 0.524 123.313 122.820 -0.052 0.000 1.883 350 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 350 A C 2.441 179.982 177.584 -0.071 0.000 1.186 350 A CA 1.700 53.706 52.037 -0.052 0.000 0.624 350 A CB -0.777 18.186 19.000 -0.062 0.000 0.822 350 A HN 0.365 nan 8.150 nan 0.000 0.444 351 I N -0.322 120.153 120.570 -0.157 0.000 2.226 351 I HA -0.265 3.905 4.170 -0.001 0.000 0.245 351 I C 2.288 178.369 176.117 -0.060 0.000 1.100 351 I CA 1.367 62.586 61.300 -0.135 0.000 1.374 351 I CB -0.378 37.488 38.000 -0.223 0.000 1.057 351 I HN 0.305 nan 8.210 nan 0.000 0.413 352 I N 0.321 120.857 120.570 -0.056 0.000 2.286 352 I HA -0.302 3.868 4.170 -0.001 0.000 0.248 352 I C 2.536 178.642 176.117 -0.018 0.000 1.115 352 I CA 1.414 62.695 61.300 -0.032 0.000 1.392 352 I CB -0.399 37.585 38.000 -0.027 0.000 1.065 352 I HN 0.342 nan 8.210 nan 0.000 0.418 353 Q N 0.426 120.219 119.800 -0.012 0.000 2.224 353 Q HA -0.127 4.213 4.340 -0.001 0.000 0.203 353 Q C 1.280 177.285 176.000 0.009 0.000 0.970 353 Q CA 0.950 56.755 55.803 0.002 0.000 0.865 353 Q CB -0.065 28.681 28.738 0.014 0.000 0.922 353 Q HN 0.521 nan 8.270 nan 0.000 0.445 354 N N 0.372 119.087 118.700 0.024 0.000 2.383 354 N HA 0.064 4.803 4.740 -0.001 0.000 0.192 354 N C -0.268 175.219 175.510 -0.039 0.000 1.141 354 N CA 0.201 53.269 53.050 0.029 0.000 0.851 354 N CB 0.299 38.909 38.487 0.206 0.000 0.976 354 N HN 0.228 nan 8.380 nan 0.000 0.465 355 L N 0.779 121.984 121.223 -0.030 0.000 2.678 355 L HA 0.081 4.421 4.340 -0.001 0.000 0.276 355 L C 1.251 178.087 176.870 -0.058 0.000 1.142 355 L CA 0.221 55.040 54.840 -0.035 0.000 0.961 355 L CB -0.298 41.748 42.059 -0.022 0.000 1.291 355 L HN 0.270 nan 8.230 nan 0.000 0.476 356 G N 1.936 110.687 108.800 -0.081 0.000 2.227 356 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.168 356 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.168 356 G C 0.153 174.953 174.900 -0.168 0.000 1.006 356 G CA -0.690 44.353 45.100 -0.096 0.000 0.684 356 G HN 0.445 nan 8.290 nan 0.000 0.489 357 K N 0.839 121.066 120.400 -0.289 0.000 2.117 357 K HA 0.686 5.005 4.320 -0.001 0.000 0.240 357 K C 0.344 176.733 176.600 -0.351 0.000 1.031 357 K CA 0.106 56.071 56.287 -0.537 0.000 0.909 357 K CB 0.540 32.188 32.500 -1.421 0.000 1.097 357 K HN 0.015 nan 8.250 nan 0.000 0.492 358 T N 3.641 118.002 114.554 -0.321 0.000 3.016 358 T HA 0.294 4.644 4.350 -0.001 0.000 0.335 358 T C -2.483 172.279 174.700 0.103 0.000 1.176 358 T CA -1.493 60.565 62.100 -0.069 0.000 0.987 358 T CB 0.629 69.480 68.868 -0.029 0.000 1.073 358 T HN 0.215 nan 8.240 nan 0.000 0.547 359 P HA 0.165 nan 4.420 nan 0.000 0.264 359 P C 1.100 178.478 177.300 0.130 0.000 1.229 359 P CA -0.460 62.769 63.100 0.215 0.000 0.780 359 P CB 0.684 32.483 31.700 0.165 0.000 0.808 360 R N 3.338 123.915 120.500 0.129 0.000 2.122 360 R HA -0.168 4.171 4.340 -0.001 0.000 0.236 360 R C 0.723 177.056 176.300 0.054 0.000 1.129 360 R CA 1.474 57.621 56.100 0.079 0.000 0.925 360 R CB -0.845 29.494 30.300 0.066 0.000 0.850 360 R HN 0.447 nan 8.270 nan 0.000 0.431 361 K N 2.989 123.418 120.400 0.049 0.000 2.121 361 K HA -0.003 4.317 4.320 -0.001 0.000 0.235 361 K C -0.223 176.403 176.600 0.043 0.000 1.200 361 K CA 0.065 56.373 56.287 0.035 0.000 1.115 361 K CB -0.039 32.475 32.500 0.022 0.000 1.474 361 K HN 0.235 nan 8.250 nan 0.000 0.295 362 T N -0.043 114.537 114.554 0.044 0.000 4.216 362 T HA -0.062 4.288 4.350 -0.001 0.000 0.221 362 T C 0.540 175.263 174.700 0.039 0.000 0.939 362 T CA -0.054 62.075 62.100 0.048 0.000 1.218 362 T CB 0.054 68.945 68.868 0.040 0.000 1.266 362 T HN 0.449 nan 8.240 nan 0.000 0.917 363 Q N 2.374 122.197 119.800 0.038 0.000 2.412 363 Q HA 0.245 4.584 4.340 -0.001 0.000 0.298 363 Q C -0.159 175.865 176.000 0.040 0.000 0.938 363 Q CA -0.430 55.387 55.803 0.023 0.000 0.968 363 Q CB 0.117 28.850 28.738 -0.008 0.000 1.187 363 Q HN 0.608 nan 8.270 nan 0.000 0.421 364 V N 2.387 122.336 119.914 0.058 0.000 2.509 364 V HA -0.073 4.046 4.120 -0.001 0.000 0.297 364 V C 0.819 176.957 176.094 0.074 0.000 1.014 364 V CA 0.655 63.000 62.300 0.075 0.000 1.127 364 V CB 0.263 32.132 31.823 0.076 0.000 0.925 364 V HN 0.491 nan 8.190 nan 0.000 0.480 365 R N 3.742 124.293 120.500 0.085 0.000 2.640 365 R HA 0.073 4.413 4.340 -0.001 0.000 0.270 365 R C 0.635 177.008 176.300 0.121 0.000 1.024 365 R CA 0.489 56.641 56.100 0.087 0.000 1.085 365 R CB 0.542 30.901 30.300 0.097 0.000 0.963 365 R HN 0.880 nan 8.270 nan 0.000 0.426 366 G N 3.160 112.023 108.800 0.106 0.000 2.365 366 G HA2 0.216 4.175 3.960 -0.001 0.000 0.293 366 G HA3 0.216 4.175 3.960 -0.001 0.000 0.293 366 G C -1.187 173.827 174.900 0.190 0.000 1.128 366 G CA -0.092 45.075 45.100 0.111 0.000 0.971 366 G HN 0.557 nan 8.290 nan 0.000 0.422 367 Y N 2.063 122.397 120.300 0.056 0.000 2.492 367 Y HA 0.687 5.236 4.550 -0.000 0.000 0.346 367 Y C -0.777 175.164 175.900 0.068 0.000 0.997 367 Y CA -1.648 56.505 58.100 0.089 0.000 1.025 367 Y CB 2.232 40.769 38.460 0.128 0.000 1.263 367 Y HN 0.424 nan 8.280 nan 0.000 0.454 368 K N 7.177 127.049 120.400 -0.880 0.000 2.507 368 K HA 0.512 4.831 4.320 -0.001 0.000 0.251 368 K C -3.143 172.978 176.600 -0.799 0.000 0.943 368 K CA -2.075 53.767 56.287 -0.741 0.000 0.794 368 K CB 2.053 34.390 32.500 -0.273 0.000 1.188 368 K HN 0.453 nan 8.250 nan 0.000 0.428 369 P HA 0.013 nan 4.420 nan 0.000 0.265 369 P C -1.172 176.148 177.300 0.032 0.000 1.193 369 P CA 0.167 63.175 63.100 -0.153 0.000 0.765 369 P CB 0.102 31.804 31.700 0.003 0.000 0.823 370 F N 0.471 120.439 119.950 0.030 0.000 2.569 370 F HA 0.583 5.110 4.527 -0.001 0.000 0.312 370 F C -0.203 175.623 175.800 0.043 0.000 1.109 370 F CA -1.744 56.264 58.000 0.013 0.000 0.919 370 F CB 1.434 40.428 39.000 -0.011 0.000 1.211 370 F HN 0.035 nan 8.300 nan 0.000 0.446 371 R N 4.017 124.633 120.500 0.193 0.000 2.489 371 R HA 0.376 4.716 4.340 -0.001 0.000 0.287 371 R C -0.634 175.814 176.300 0.246 0.000 1.053 371 R CA -0.402 55.774 56.100 0.127 0.000 1.036 371 R CB 0.471 30.843 30.300 0.120 0.000 0.966 371 R HN 0.914 nan 8.270 nan 0.000 0.432 372 L N 6.753 128.079 121.223 0.170 0.000 2.426 372 L HA 0.218 4.558 4.340 -0.001 0.000 0.271 372 L C -1.748 175.291 176.870 0.281 0.000 1.169 372 L CA -1.865 53.152 54.840 0.296 0.000 0.836 372 L CB 0.700 42.928 42.059 0.282 0.000 1.112 372 L HN 0.516 nan 8.230 nan 0.000 0.465 373 P HA 0.012 nan 4.420 nan 0.000 0.266 373 P C -0.732 176.689 177.300 0.202 0.000 1.195 373 P CA -0.084 63.163 63.100 0.246 0.000 0.768 373 P CB 0.457 32.315 31.700 0.263 0.000 0.838 374 Q N 1.135 121.024 119.800 0.148 0.000 2.212 374 Q HA 0.173 4.512 4.340 -0.001 0.000 0.238 374 Q C 1.301 177.360 176.000 0.099 0.000 0.955 374 Q CA -0.579 55.296 55.803 0.119 0.000 0.906 374 Q CB 1.057 29.852 28.738 0.094 0.000 1.215 374 Q HN 0.107 nan 8.270 nan 0.000 0.478 375 V N 1.194 121.158 119.914 0.084 0.000 2.427 375 V HA -0.230 3.890 4.120 -0.001 0.000 0.248 375 V C 1.655 177.787 176.094 0.064 0.000 1.051 375 V CA 2.181 64.522 62.300 0.067 0.000 1.048 375 V CB -0.578 31.281 31.823 0.059 0.000 0.666 375 V HN 0.793 nan 8.190 nan 0.000 0.456 376 D N 0.771 121.208 120.400 0.060 0.000 2.351 376 D HA -0.098 4.541 4.640 -0.001 0.000 0.216 376 D C 1.788 178.120 176.300 0.053 0.000 0.968 376 D CA 1.416 55.447 54.000 0.052 0.000 0.899 376 D CB -0.117 40.710 40.800 0.045 0.000 0.907 376 D HN 0.506 nan 8.370 nan 0.000 0.514 377 G N -0.102 108.736 108.800 0.063 0.000 3.159 377 G HA2 0.394 4.354 3.960 -0.001 0.000 0.232 377 G HA3 0.394 4.354 3.960 -0.001 0.000 0.232 377 G C 0.643 175.589 174.900 0.077 0.000 1.116 377 G CA 0.231 45.369 45.100 0.063 0.000 0.767 377 G HN 0.488 nan 8.290 nan 0.000 0.547 378 A N 0.365 123.236 122.820 0.085 0.000 2.371 378 A HA 0.592 4.912 4.320 -0.001 0.000 0.257 378 A C 0.102 177.766 177.584 0.134 0.000 1.089 378 A CA -0.404 51.694 52.037 0.102 0.000 0.794 378 A CB 0.319 19.368 19.000 0.082 0.000 1.029 378 A HN 0.238 nan 8.150 nan 0.000 0.488 379 I N 2.229 122.917 120.570 0.197 0.000 2.421 379 I HA 0.221 4.391 4.170 -0.001 0.000 0.291 379 I C 1.040 177.375 176.117 0.364 0.000 1.089 379 I CA 0.082 61.545 61.300 0.271 0.000 1.354 379 I CB 0.448 38.688 38.000 0.401 0.000 1.413 379 I HN 0.701 nan 8.210 nan 0.000 0.513 380 A N 9.899 132.832 122.820 0.189 0.000 2.386 380 A HA 0.472 4.792 4.320 -0.001 0.000 0.248 380 A C -2.055 175.540 177.584 0.018 0.000 1.082 380 A CA -1.106 51.017 52.037 0.143 0.000 0.789 380 A CB -0.319 18.717 19.000 0.061 0.000 1.025 380 A HN 0.509 nan 8.150 nan 0.000 0.490 381 P HA 0.228 nan 4.420 nan 0.000 0.271 381 P C -0.305 176.845 177.300 -0.249 0.000 1.218 381 P CA 0.076 62.995 63.100 -0.301 0.000 0.780 381 P CB 0.355 31.997 31.700 -0.098 0.000 0.901 382 I N -0.623 119.745 120.570 -0.336 0.000 2.474 382 I HA 0.299 4.469 4.170 -0.001 0.000 0.287 382 I C -0.175 175.837 176.117 -0.176 0.000 1.048 382 I CA -0.992 60.174 61.300 -0.223 0.000 1.383 382 I CB 0.873 38.734 38.000 -0.232 0.000 1.412 382 I HN -0.065 nan 8.210 nan 0.000 0.531 383 V N 6.706 126.548 119.914 -0.119 0.000 2.408 383 V HA 0.259 4.379 4.120 -0.001 0.000 0.267 383 V C -1.725 174.323 176.094 -0.077 0.000 1.047 383 V CA -1.233 61.009 62.300 -0.097 0.000 0.937 383 V CB 0.223 32.010 31.823 -0.061 0.000 0.999 383 V HN 0.748 nan 8.190 nan 0.000 0.472 384 P HA 0.074 nan 4.420 nan 0.000 0.266 384 P C 0.781 178.085 177.300 0.007 0.000 1.193 384 P CA 0.003 63.093 63.100 -0.017 0.000 0.770 384 P CB 0.652 32.376 31.700 0.040 0.000 0.836 385 R N 1.464 121.973 120.500 0.015 0.000 2.093 385 R HA 0.013 4.353 4.340 -0.001 0.000 0.224 385 R C 0.227 176.545 176.300 0.031 0.000 1.101 385 R CA 1.120 57.228 56.100 0.014 0.000 0.979 385 R CB 0.123 30.428 30.300 0.008 0.000 0.877 385 R HN 0.662 nan 8.270 nan 0.000 0.441 386 S N -0.471 115.260 115.700 0.053 0.000 2.564 386 S HA 0.583 5.052 4.470 -0.001 0.000 0.274 386 S C -1.237 173.430 174.600 0.112 0.000 1.124 386 S CA -1.110 57.127 58.200 0.063 0.000 0.869 386 S CB 2.170 65.396 63.200 0.043 0.000 1.105 386 S HN 0.427 nan 8.310 nan 0.000 0.472 387 R N 0.316 120.882 120.500 0.109 0.000 2.663 387 R HA 0.791 5.131 4.340 -0.001 0.000 0.267 387 R C -1.516 174.818 176.300 0.057 0.000 1.038 387 R CA -1.118 55.068 56.100 0.145 0.000 0.886 387 R CB 1.422 31.920 30.300 0.331 0.000 1.249 387 R HN 1.009 nan 8.270 nan 0.000 0.463 388 R N 0.402 120.895 120.500 -0.011 0.000 2.629 388 R HA 0.420 4.760 4.340 -0.001 0.000 0.266 388 R C -1.572 174.691 176.300 -0.061 0.000 1.051 388 R CA -1.100 54.984 56.100 -0.026 0.000 0.895 388 R CB 1.727 32.018 30.300 -0.016 0.000 1.246 388 R HN 0.260 nan 8.270 nan 0.000 0.459 389 V N 2.747 122.623 119.914 -0.062 0.000 2.432 389 V HA 0.117 4.237 4.120 -0.001 0.000 0.271 389 V C 1.166 177.225 176.094 -0.059 0.000 1.046 389 V CA -0.190 62.073 62.300 -0.062 0.000 0.945 389 V CB 1.335 33.118 31.823 -0.066 0.000 0.992 389 V HN 0.726 nan 8.190 nan 0.000 0.471 390 V N 1.949 121.868 119.914 0.009 0.000 3.578 390 V HA 0.805 4.924 4.120 -0.001 0.000 0.290 390 V C 0.676 176.854 176.094 0.140 0.000 1.376 390 V CA 0.822 63.173 62.300 0.086 0.000 1.083 390 V CB -0.136 31.767 31.823 0.133 0.000 0.911 390 V HN 1.019 nan 8.190 nan 0.000 0.433 391 G N -0.987 107.873 108.800 0.101 0.000 2.323 391 G HA2 0.477 4.437 3.960 -0.001 0.000 0.291 391 G HA3 0.477 4.437 3.960 -0.001 0.000 0.291 391 G C -1.801 173.119 174.900 0.032 0.000 1.278 391 G CA 0.161 45.373 45.100 0.185 0.000 0.860 391 G HN 0.930 nan 8.290 nan 0.000 0.504 392 V N -0.071 119.837 119.914 -0.009 0.000 2.891 392 V HA 0.648 4.768 4.120 -0.001 0.000 0.304 392 V C -1.779 174.268 176.094 -0.077 0.000 1.171 392 V CA -0.840 61.402 62.300 -0.096 0.000 0.943 392 V CB 2.235 33.944 31.823 -0.190 0.000 1.037 392 V HN 0.725 nan 8.190 nan 0.000 0.427 393 D N 4.200 124.528 120.400 -0.120 0.000 2.274 393 D HA 0.500 5.139 4.640 -0.001 0.000 0.239 393 D C -0.523 175.695 176.300 -0.136 0.000 1.104 393 D CA 0.193 54.074 54.000 -0.199 0.000 0.840 393 D CB 1.933 42.568 40.800 -0.276 0.000 1.100 393 D HN 0.362 nan 8.370 nan 0.000 0.477 394 V N 4.025 123.860 119.914 -0.133 0.000 2.357 394 V HA 0.356 4.476 4.120 -0.001 0.000 0.284 394 V C -0.200 175.849 176.094 -0.076 0.000 1.018 394 V CA -0.749 61.542 62.300 -0.015 0.000 0.841 394 V CB 0.551 32.395 31.823 0.033 0.000 0.991 394 V HN 0.327 nan 8.190 nan 0.000 0.437 395 F N 4.793 124.749 119.950 0.010 0.000 2.410 395 F HA 0.640 5.167 4.527 -0.001 0.000 0.349 395 F C 0.327 176.214 175.800 0.145 0.000 1.117 395 F CA -0.707 57.287 58.000 -0.010 0.000 1.104 395 F CB 1.730 40.730 39.000 -0.000 0.000 1.122 395 F HN 0.417 nan 8.300 nan 0.000 0.483 396 V N 0.322 120.373 119.914 0.227 0.000 2.864 396 V HA 0.576 4.695 4.120 -0.001 0.000 0.314 396 V C -0.794 175.466 176.094 0.276 0.000 1.073 396 V CA -0.931 61.523 62.300 0.256 0.000 0.956 396 V CB 1.927 33.822 31.823 0.120 0.000 1.023 396 V HN 0.802 nan 8.190 nan 0.000 0.435 397 E N 1.624 121.994 120.200 0.282 0.000 2.113 397 E HA 0.634 4.983 4.350 -0.001 0.000 0.273 397 E C -0.804 175.953 176.600 0.261 0.000 0.924 397 E CA -0.165 56.396 56.400 0.268 0.000 0.764 397 E CB 1.446 31.271 29.700 0.207 0.000 1.104 397 E HN 1.072 nan 8.360 nan 0.000 0.406 398 T N 2.826 117.553 114.554 0.288 0.000 2.827 398 T HA 0.243 4.593 4.350 -0.001 0.000 0.328 398 T C -0.802 174.080 174.700 0.303 0.000 1.598 398 T CA -0.596 61.669 62.100 0.275 0.000 1.043 398 T CB 1.098 70.133 68.868 0.277 0.000 1.447 398 T HN 0.557 nan 8.240 nan 0.000 0.491 399 N N 0.888 119.725 118.700 0.228 0.000 2.200 399 N HA 0.291 5.031 4.740 -0.001 0.000 0.224 399 N C -0.328 175.289 175.510 0.179 0.000 1.179 399 N CA -0.390 52.789 53.050 0.215 0.000 0.877 399 N CB 0.420 38.989 38.487 0.137 0.000 1.072 399 N HN 0.358 nan 8.380 nan 0.000 0.519 400 L N 1.987 123.298 121.223 0.146 0.000 2.453 400 L HA 0.190 4.529 4.340 -0.001 0.000 0.272 400 L C -0.205 176.673 176.870 0.013 0.000 1.182 400 L CA 0.093 54.975 54.840 0.071 0.000 0.858 400 L CB 0.326 42.431 42.059 0.076 0.000 1.120 400 L HN 0.046 nan 8.230 nan 0.000 0.474 401 L N 7.400 128.637 121.223 0.024 0.000 2.483 401 L HA 0.076 4.416 4.340 -0.001 0.000 0.276 401 L C -1.151 175.670 176.870 -0.082 0.000 1.213 401 L CA -1.162 53.696 54.840 0.030 0.000 0.843 401 L CB -0.154 41.930 42.059 0.041 0.000 1.107 401 L HN 0.602 nan 8.230 nan 0.000 0.487 402 P HA -0.247 nan 4.420 nan 0.000 0.217 402 P C 1.282 178.500 177.300 -0.135 0.000 1.162 402 P CA 1.163 64.200 63.100 -0.105 0.000 0.901 402 P CB 0.280 32.042 31.700 0.103 0.000 0.793 403 E N -0.573 119.631 120.200 0.006 0.000 2.038 403 E HA -0.192 4.157 4.350 -0.001 0.000 0.195 403 E C 2.019 178.547 176.600 -0.120 0.000 1.000 403 E CA 1.801 58.227 56.400 0.043 0.000 0.803 403 E CB -1.121 28.630 29.700 0.085 0.000 0.750 403 E HN 0.100 nan 8.360 nan 0.000 0.448 404 A N 0.043 122.803 122.820 -0.100 0.000 1.930 404 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 404 A C 2.156 179.638 177.584 -0.170 0.000 1.175 404 A CA 1.310 53.291 52.037 -0.094 0.000 0.627 404 A CB -0.663 18.318 19.000 -0.032 0.000 0.815 404 A HN 0.364 nan 8.150 nan 0.000 0.443 405 L N 0.206 121.258 121.223 -0.285 0.000 2.046 405 L HA -0.012 4.328 4.340 -0.001 0.000 0.208 405 L C 2.367 178.924 176.870 -0.522 0.000 1.077 405 L CA 2.265 56.850 54.840 -0.425 0.000 0.747 405 L CB -1.087 40.577 42.059 -0.658 0.000 0.896 405 L HN 0.293 nan 8.230 nan 0.000 0.432 406 G N -0.694 107.640 108.800 -0.776 0.000 2.446 406 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.217 406 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.217 406 G C 1.719 176.258 174.900 -0.603 0.000 1.168 406 G CA 0.851 45.220 45.100 -1.219 0.000 0.771 406 G HN 0.369 nan 8.290 nan 0.000 0.551 407 K N 0.929 121.109 120.400 -0.367 0.000 2.057 407 K HA 0.012 4.332 4.320 -0.001 0.000 0.207 407 K C 2.804 179.365 176.600 -0.065 0.000 1.049 407 K CA 1.320 57.531 56.287 -0.126 0.000 0.931 407 K CB -0.418 32.050 32.500 -0.054 0.000 0.714 407 K HN 0.195 nan 8.250 nan 0.000 0.440 408 A N 1.590 124.380 122.820 -0.050 0.000 1.908 408 A HA -0.134 4.186 4.320 -0.001 0.000 0.218 408 A C 2.268 179.910 177.584 0.096 0.000 1.181 408 A CA 1.342 53.425 52.037 0.076 0.000 0.627 408 A CB -0.553 18.593 19.000 0.243 0.000 0.818 408 A HN 0.327 nan 8.150 nan 0.000 0.445 409 L N -0.931 120.290 121.223 -0.004 0.000 2.156 409 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 409 L C 2.526 179.468 176.870 0.119 0.000 1.095 409 L CA 1.301 56.182 54.840 0.069 0.000 0.770 409 L CB -0.560 41.481 42.059 -0.030 0.000 0.914 409 L HN 0.472 nan 8.230 nan 0.000 0.439 410 E N 0.135 120.357 120.200 0.038 0.000 2.077 410 E HA -0.212 4.137 4.350 -0.001 0.000 0.193 410 E C 1.656 178.303 176.600 0.079 0.000 0.989 410 E CA 1.241 57.685 56.400 0.074 0.000 0.800 410 E CB -0.041 29.685 29.700 0.044 0.000 0.746 410 E HN 0.461 nan 8.360 nan 0.000 0.452 411 D N 0.815 121.251 120.400 0.059 0.000 2.117 411 D HA -0.129 4.511 4.640 -0.001 0.000 0.197 411 D C 2.058 178.394 176.300 0.060 0.000 0.987 411 D CA 0.844 54.876 54.000 0.053 0.000 0.829 411 D CB -0.164 40.662 40.800 0.044 0.000 0.961 411 D HN 0.169 nan 8.370 nan 0.000 0.460 412 L N 0.475 121.746 121.223 0.080 0.000 2.201 412 L HA -0.063 4.277 4.340 -0.001 0.000 0.212 412 L C 2.273 179.166 176.870 0.039 0.000 1.105 412 L CA 0.838 55.716 54.840 0.063 0.000 0.775 412 L CB -0.235 41.880 42.059 0.093 0.000 0.913 412 L HN -0.032 nan 8.230 nan 0.000 0.440 413 A N -0.031 122.836 122.820 0.079 0.000 2.178 413 A HA 0.317 4.637 4.320 -0.001 0.000 0.211 413 A C 1.321 178.957 177.584 0.086 0.000 1.157 413 A CA 0.376 52.461 52.037 0.081 0.000 0.780 413 A CB -0.347 18.783 19.000 0.216 0.000 0.828 413 A HN 0.250 nan 8.150 nan 0.000 0.476 414 A N -0.714 122.147 122.820 0.068 0.000 2.524 414 A HA 0.442 4.762 4.320 -0.001 0.000 0.250 414 A C 1.582 179.189 177.584 0.038 0.000 1.078 414 A CA 0.692 52.759 52.037 0.050 0.000 0.761 414 A CB -0.611 18.412 19.000 0.039 0.000 1.012 414 A HN 1.897 nan 8.150 nan 0.000 0.500 415 G N 1.592 110.411 108.800 0.031 0.000 2.232 415 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.226 415 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.226 415 G C 0.625 175.543 174.900 0.029 0.000 0.996 415 G CA 0.917 46.030 45.100 0.022 0.000 0.626 415 G HN 2.080 nan 8.290 nan 0.000 0.509 416 T N -1.131 113.457 114.554 0.057 0.000 2.912 416 T HA 0.710 5.059 4.350 -0.001 0.000 0.280 416 T C -1.767 172.959 174.700 0.044 0.000 0.989 416 T CA -1.005 61.154 62.100 0.099 0.000 0.995 416 T CB 2.615 71.607 68.868 0.206 0.000 1.077 416 T HN 0.069 nan 8.240 nan 0.000 0.531 417 P HA 0.319 nan 4.420 nan 0.000 0.249 417 P C -1.152 175.814 177.300 -0.557 0.000 1.593 417 P CA -0.272 62.632 63.100 -0.328 0.000 0.896 417 P CB -0.689 30.795 31.700 -0.360 0.000 1.581 418 F N 0.951 120.904 119.950 0.005 0.000 2.588 418 F HA 0.523 5.050 4.527 -0.001 0.000 0.314 418 F C 0.823 176.687 175.800 0.108 0.000 1.069 418 F CA -0.984 57.060 58.000 0.072 0.000 0.931 418 F CB 2.267 41.306 39.000 0.065 0.000 1.260 418 F HN -0.192 nan 8.300 nan 0.000 0.465 419 R N 1.630 122.343 120.500 0.355 0.000 2.744 419 R HA 0.749 5.089 4.340 -0.001 0.000 0.279 419 R C -1.929 174.507 176.300 0.227 0.000 0.977 419 R CA -1.061 55.183 56.100 0.240 0.000 0.906 419 R CB 1.945 32.306 30.300 0.102 0.000 1.197 419 R HN 0.630 nan 8.270 nan 0.000 0.463 420 L N 3.023 124.301 121.223 0.091 0.000 2.369 420 L HA 0.196 4.536 4.340 -0.001 0.000 0.279 420 L C 0.932 177.721 176.870 -0.134 0.000 1.108 420 L CA 0.259 54.941 54.840 -0.263 0.000 0.852 420 L CB 1.033 42.925 42.059 -0.279 0.000 1.169 420 L HN 0.904 nan 8.230 nan 0.000 0.452 421 K N 5.228 125.520 120.400 -0.181 0.000 2.067 421 K HA 0.235 4.555 4.320 -0.001 0.000 0.203 421 K C -0.031 176.517 176.600 -0.087 0.000 1.048 421 K CA 1.698 57.930 56.287 -0.092 0.000 0.954 421 K CB 0.188 32.643 32.500 -0.074 0.000 0.737 421 K HN 0.769 nan 8.250 nan 0.000 0.444 422 M N -1.708 117.814 119.600 -0.130 0.000 3.012 422 M HA 0.442 4.921 4.480 -0.001 0.000 0.272 422 M C -1.643 174.590 176.300 -0.111 0.000 1.187 422 M CA -0.803 54.461 55.300 -0.060 0.000 0.813 422 M CB 1.455 34.014 32.600 -0.067 0.000 1.626 422 M HN -0.151 nan 8.290 nan 0.000 0.507 423 I N 1.419 121.975 120.570 -0.023 0.000 2.582 423 I HA 0.776 4.946 4.170 -0.001 0.000 0.292 423 I C -0.751 175.367 176.117 0.001 0.000 1.066 423 I CA -0.614 60.643 61.300 -0.072 0.000 1.053 423 I CB 2.560 40.507 38.000 -0.088 0.000 1.241 423 I HN 0.995 nan 8.210 nan 0.000 0.421 424 S N 4.211 119.896 115.700 -0.025 0.000 2.634 424 S HA 0.576 5.046 4.470 -0.001 0.000 0.296 424 S C -0.994 173.618 174.600 0.019 0.000 1.104 424 S CA -0.845 57.359 58.200 0.006 0.000 0.920 424 S CB 2.513 65.694 63.200 -0.033 0.000 1.111 424 S HN 0.652 nan 8.310 nan 0.000 0.493 425 N N 0.312 119.005 118.700 -0.011 0.000 2.430 425 N HA 0.281 5.021 4.740 -0.001 0.000 0.290 425 N C -0.639 174.848 175.510 -0.039 0.000 1.063 425 N CA -0.310 52.667 53.050 -0.121 0.000 0.883 425 N CB 1.145 39.497 38.487 -0.225 0.000 1.465 425 N HN 0.817 nan 8.380 nan 0.000 0.493 426 R N 2.239 122.748 120.500 0.015 0.000 3.641 426 R HA -0.231 4.109 4.340 -0.001 0.000 0.286 426 R C 0.813 177.151 176.300 0.063 0.000 1.153 426 R CA 0.992 57.132 56.100 0.067 0.000 0.775 426 R CB -1.854 28.468 30.300 0.036 0.000 1.215 426 R HN 0.975 nan 8.270 nan 0.000 0.474 427 G N -1.677 107.158 108.800 0.058 0.000 2.176 427 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.253 427 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.253 427 G C 0.170 175.090 174.900 0.033 0.000 0.979 427 G CA 0.448 45.580 45.100 0.054 0.000 0.641 427 G HN 0.340 nan 8.290 nan 0.000 0.530 428 T N 1.175 115.742 114.554 0.023 0.000 2.767 428 T HA 0.522 4.872 4.350 -0.001 0.000 0.284 428 T C 0.242 174.954 174.700 0.020 0.000 0.973 428 T CA -0.169 61.943 62.100 0.020 0.000 0.996 428 T CB 1.892 70.772 68.868 0.020 0.000 0.927 428 T HN 0.481 nan 8.240 nan 0.000 0.456 429 Q N 2.266 122.074 119.800 0.014 0.000 2.300 429 Q HA 0.181 4.520 4.340 -0.001 0.000 0.280 429 Q C 0.626 176.646 176.000 0.033 0.000 1.033 429 Q CA -0.049 55.762 55.803 0.013 0.000 0.903 429 Q CB 0.443 29.177 28.738 -0.007 0.000 1.195 429 Q HN 0.687 nan 8.270 nan 0.000 0.386 430 V N 1.629 121.584 119.914 0.068 0.000 3.451 430 V HA 0.338 4.458 4.120 -0.001 0.000 0.288 430 V C -0.622 175.556 176.094 0.139 0.000 1.502 430 V CA -0.346 62.016 62.300 0.103 0.000 1.026 430 V CB 0.005 31.927 31.823 0.165 0.000 0.840 430 V HN 0.718 nan 8.190 nan 0.000 0.437 431 Y N 1.414 121.693 120.300 -0.035 0.000 2.362 431 Y HA 0.750 5.300 4.550 -0.001 0.000 0.326 431 Y C -3.185 172.669 175.900 -0.076 0.000 1.083 431 Y CA -2.387 55.674 58.100 -0.065 0.000 1.073 431 Y CB 2.606 41.001 38.460 -0.108 0.000 1.211 431 Y HN -0.001 nan 8.280 nan 0.000 0.433 432 P HA 0.113 nan 4.420 nan 0.000 0.270 432 P C -2.634 174.506 177.300 -0.266 0.000 1.223 432 P CA -0.751 61.934 63.100 -0.692 0.000 0.785 432 P CB 0.172 31.581 31.700 -0.485 0.000 0.923 433 P HA -0.035 nan 4.420 nan 0.000 0.269 433 P C 0.409 177.674 177.300 -0.058 0.000 1.209 433 P CA 0.446 63.512 63.100 -0.057 0.000 0.776 433 P CB 0.349 32.033 31.700 -0.027 0.000 0.876 434 T N -2.731 111.808 114.554 -0.026 0.000 3.001 434 T HA 0.310 4.659 4.350 -0.001 0.000 0.251 434 T C 1.281 175.973 174.700 -0.014 0.000 1.040 434 T CA 0.662 62.748 62.100 -0.023 0.000 0.985 434 T CB -0.528 68.334 68.868 -0.011 0.000 1.011 434 T HN 0.635 nan 8.240 nan 0.000 0.509 435 G N 0.614 109.410 108.800 -0.007 0.000 2.175 435 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.244 435 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.244 435 G C 0.519 175.422 174.900 0.004 0.000 0.982 435 G CA -0.091 45.008 45.100 -0.002 0.000 0.641 435 G HN 0.991 nan 8.290 nan 0.000 0.527 436 G N -0.933 107.871 108.800 0.007 0.000 2.535 436 G HA2 0.611 4.571 3.960 -0.001 0.000 0.282 436 G HA3 0.611 4.571 3.960 -0.001 0.000 0.282 436 G C 0.478 175.388 174.900 0.016 0.000 1.350 436 G CA -0.535 44.572 45.100 0.011 0.000 1.039 436 G HN 0.742 nan 8.290 nan 0.000 0.509 437 L N 0.421 121.654 121.223 0.017 0.000 3.291 437 L HA 0.214 4.554 4.340 -0.001 0.000 0.307 437 L C 0.285 177.167 176.870 0.020 0.000 1.303 437 L CA -0.359 54.493 54.840 0.019 0.000 0.949 437 L CB 0.606 42.675 42.059 0.016 0.000 1.375 437 L HN 0.325 nan 8.230 nan 0.000 0.596 438 T N 0.005 114.572 114.554 0.022 0.000 2.902 438 T HA -0.007 4.343 4.350 -0.001 0.000 0.301 438 T C 0.034 174.747 174.700 0.022 0.000 1.012 438 T CA 0.281 62.393 62.100 0.021 0.000 1.151 438 T CB 0.996 69.879 68.868 0.024 0.000 0.946 438 T HN 0.112 nan 8.240 nan 0.000 0.542 439 D N 2.048 122.456 120.400 0.014 0.000 2.304 439 D HA 0.361 5.001 4.640 -0.001 0.000 0.247 439 D C -0.456 175.842 176.300 -0.002 0.000 1.089 439 D CA -0.437 53.570 54.000 0.012 0.000 0.910 439 D CB 0.564 41.370 40.800 0.009 0.000 1.199 439 D HN 0.334 nan 8.370 nan 0.000 0.426 440 L N 2.784 124.004 121.223 -0.006 0.000 2.334 440 L HA 0.537 4.877 4.340 -0.001 0.000 0.276 440 L C 0.215 177.043 176.870 -0.069 0.000 1.014 440 L CA -1.242 53.565 54.840 -0.055 0.000 0.815 440 L CB 1.634 43.679 42.059 -0.023 0.000 1.268 440 L HN 0.233 nan 8.230 nan 0.000 0.428 441 V N -1.823 118.014 119.914 -0.129 0.000 3.211 441 V HA 0.418 4.538 4.120 -0.001 0.000 0.319 441 V C 0.153 176.171 176.094 -0.127 0.000 1.096 441 V CA -0.671 61.582 62.300 -0.078 0.000 1.029 441 V CB 1.621 33.423 31.823 -0.035 0.000 1.137 441 V HN 0.845 nan 8.190 nan 0.000 0.453 442 D N -0.182 120.209 120.400 -0.014 0.000 2.504 442 D HA 0.078 4.717 4.640 -0.001 0.000 0.243 442 D C 0.268 176.645 176.300 0.128 0.000 1.203 442 D CA 0.254 54.289 54.000 0.058 0.000 0.847 442 D CB -0.763 40.098 40.800 0.102 0.000 0.973 442 D HN 0.867 nan 8.370 nan 0.000 0.490 443 H N -0.337 118.654 119.070 -0.132 0.000 2.744 443 H HA 0.313 4.869 4.556 -0.001 0.000 0.339 443 H C -1.650 173.590 175.328 -0.147 0.000 1.004 443 H CA -0.709 55.334 56.048 -0.010 0.000 1.257 443 H CB 0.925 30.710 29.762 0.039 0.000 1.552 443 H HN -0.074 nan 8.280 nan 0.000 0.522 444 Y N 3.197 123.354 120.300 -0.237 0.000 2.442 444 Y HA 0.289 4.839 4.550 -0.001 0.000 0.344 444 Y C 0.068 175.713 175.900 -0.425 0.000 0.976 444 Y CA -0.969 56.969 58.100 -0.270 0.000 1.040 444 Y CB 1.669 40.009 38.460 -0.200 0.000 1.228 444 Y HN 0.440 nan 8.280 nan 0.000 0.451 445 R N 2.951 123.250 120.500 -0.335 0.000 2.255 445 R HA 0.530 4.870 4.340 -0.001 0.000 0.326 445 R C -1.854 174.157 176.300 -0.483 0.000 0.986 445 R CA -0.286 55.360 56.100 -0.757 0.000 0.847 445 R CB 0.362 30.111 30.300 -0.918 0.000 1.111 445 R HN 0.839 nan 8.270 nan 0.000 0.452 446 C N 5.603 124.616 119.300 -0.478 0.000 2.271 446 C HA 0.463 4.923 4.460 -0.001 0.000 0.323 446 C C 0.513 175.215 174.990 -0.480 0.000 1.245 446 C CA -0.859 57.898 59.018 -0.435 0.000 1.548 446 C CB 0.186 27.711 27.740 -0.358 0.000 2.214 446 C HN 0.747 nan 8.230 nan 0.000 0.477 447 R N 2.404 122.613 120.500 -0.485 0.000 2.202 447 R HA 0.542 4.881 4.340 -0.001 0.000 0.334 447 R C -1.431 174.587 176.300 -0.470 0.000 1.036 447 R CA -0.098 55.774 56.100 -0.380 0.000 0.878 447 R CB 0.297 30.438 30.300 -0.265 0.000 1.067 447 R HN 0.608 nan 8.270 nan 0.000 0.457 448 F N 5.015 124.886 119.950 -0.132 0.000 2.458 448 F HA 0.408 4.935 4.527 -0.001 0.000 0.336 448 F C -0.150 175.695 175.800 0.075 0.000 1.114 448 F CA -0.696 57.285 58.000 -0.032 0.000 0.987 448 F CB 1.483 40.412 39.000 -0.119 0.000 1.130 448 F HN 0.223 nan 8.300 nan 0.000 0.458 449 L N 3.479 124.884 121.223 0.303 0.000 2.334 449 L HA 0.368 4.708 4.340 -0.001 0.000 0.276 449 L C -0.768 176.293 176.870 0.317 0.000 1.014 449 L CA -1.232 53.760 54.840 0.254 0.000 0.815 449 L CB 1.534 43.666 42.059 0.121 0.000 1.268 449 L HN 0.493 nan 8.230 nan 0.000 0.428 450 Y N 1.255 121.605 120.300 0.084 0.000 2.425 450 Y HA 0.037 4.587 4.550 -0.001 0.000 0.331 450 Y C 1.252 177.061 175.900 -0.152 0.000 1.157 450 Y CA 0.098 58.065 58.100 -0.222 0.000 1.372 450 Y CB 1.179 39.512 38.460 -0.213 0.000 1.253 450 Y HN 0.684 nan 8.280 nan 0.000 0.536 451 T N 1.098 115.207 114.554 -0.743 0.000 3.044 451 T HA 0.394 4.744 4.350 -0.001 0.000 0.260 451 T C 0.773 175.071 174.700 -0.669 0.000 1.019 451 T CA 0.178 61.967 62.100 -0.518 0.000 0.921 451 T CB -0.297 68.386 68.868 -0.308 0.000 1.053 451 T HN 0.705 nan 8.240 nan 0.000 0.533 452 G N 0.697 108.689 108.800 -1.347 0.000 2.531 452 G HA2 0.514 4.473 3.960 -0.001 0.000 0.281 452 G HA3 0.514 4.473 3.960 -0.001 0.000 0.281 452 G C -0.818 173.908 174.900 -0.290 0.000 1.382 452 G CA -0.769 43.860 45.100 -0.785 0.000 1.045 452 G HN 0.500 nan 8.290 nan 0.000 0.533 453 E N -1.061 119.115 120.200 -0.040 0.000 2.319 453 E HA 0.469 4.819 4.350 -0.001 0.000 0.268 453 E C 1.021 177.736 176.600 0.191 0.000 1.050 453 E CA 0.328 56.765 56.400 0.062 0.000 0.878 453 E CB 0.688 30.402 29.700 0.023 0.000 1.066 453 E HN 1.071 nan 8.360 nan 0.000 0.406 454 G N 3.305 112.183 108.800 0.131 0.000 2.559 454 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.282 454 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.282 454 G C -0.358 174.591 174.900 0.082 0.000 1.177 454 G CA 0.512 45.667 45.100 0.092 0.000 0.960 454 G HN 0.829 nan 8.290 nan 0.000 0.540 455 E N -0.697 119.463 120.200 -0.066 0.000 2.449 455 E HA 0.708 5.058 4.350 -0.001 0.000 0.278 455 E C -0.317 175.742 176.600 -0.901 0.000 0.992 455 E CA -0.567 55.634 56.400 -0.332 0.000 0.807 455 E CB 1.409 31.003 29.700 -0.177 0.000 1.350 455 E HN 1.673 nan 8.360 nan 0.000 0.462 456 A N 1.998 124.157 122.820 -1.102 0.000 2.404 456 A HA 0.322 4.642 4.320 -0.001 0.000 0.273 456 A C -0.360 177.014 177.584 -0.350 0.000 1.144 456 A CA -0.527 50.919 52.037 -0.986 0.000 0.806 456 A CB 0.170 18.905 19.000 -0.442 0.000 1.080 456 A HN 0.356 nan 8.150 nan 0.000 0.509 457 K N 1.897 122.164 120.400 -0.222 0.000 2.098 457 K HA 0.180 4.499 4.320 -0.001 0.000 0.261 457 K C 0.308 176.896 176.600 -0.020 0.000 0.987 457 K CA -0.732 55.502 56.287 -0.088 0.000 0.916 457 K CB 0.921 33.386 32.500 -0.058 0.000 1.039 457 K HN 0.671 nan 8.250 nan 0.000 0.455 458 D N 1.839 122.229 120.400 -0.017 0.000 2.133 458 D HA -0.158 4.481 4.640 -0.001 0.000 0.192 458 D C -0.923 175.374 176.300 -0.004 0.000 1.001 458 D CA 1.815 55.808 54.000 -0.011 0.000 0.844 458 D CB -0.852 39.942 40.800 -0.010 0.000 0.944 458 D HN 0.383 nan 8.370 nan 0.000 0.447 459 P HA -0.098 nan 4.420 nan 0.000 0.216 459 P C 1.236 178.554 177.300 0.030 0.000 1.150 459 P CA 1.203 64.309 63.100 0.010 0.000 0.837 459 P CB -0.006 31.703 31.700 0.014 0.000 0.786 460 E N -0.730 119.515 120.200 0.075 0.000 2.072 460 E HA -0.123 4.227 4.350 -0.001 0.000 0.191 460 E C 2.023 178.745 176.600 0.204 0.000 0.985 460 E CA 0.864 57.374 56.400 0.183 0.000 0.801 460 E CB -0.516 29.333 29.700 0.248 0.000 0.750 460 E HN 0.267 nan 8.360 nan 0.000 0.452 461 I N 1.096 121.727 120.570 0.102 0.000 2.179 461 I HA -0.275 3.895 4.170 -0.001 0.000 0.242 461 I C 2.337 178.310 176.117 -0.240 0.000 1.088 461 I CA 1.058 62.267 61.300 -0.153 0.000 1.357 461 I CB -0.243 37.687 38.000 -0.116 0.000 1.051 461 I HN 0.111 nan 8.210 nan 0.000 0.409 462 L N 0.319 121.457 121.223 -0.142 0.000 2.131 462 L HA -0.228 4.111 4.340 -0.001 0.000 0.210 462 L C 2.174 178.959 176.870 -0.143 0.000 1.092 462 L CA 1.429 56.176 54.840 -0.155 0.000 0.759 462 L CB -0.712 41.297 42.059 -0.082 0.000 0.903 462 L HN 0.323 nan 8.230 nan 0.000 0.435 463 D N 0.453 120.797 120.400 -0.093 0.000 2.117 463 D HA -0.223 4.416 4.640 -0.001 0.000 0.198 463 D C 2.118 178.338 176.300 -0.134 0.000 0.982 463 D CA 0.906 54.865 54.000 -0.068 0.000 0.828 463 D CB 0.089 40.885 40.800 -0.006 0.000 0.967 463 D HN 0.119 nan 8.370 nan 0.000 0.464 464 L N 0.081 121.169 121.223 -0.224 0.000 2.017 464 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 464 L C 2.209 178.825 176.870 -0.423 0.000 1.073 464 L CA 1.437 56.044 54.840 -0.388 0.000 0.745 464 L CB -0.596 41.005 42.059 -0.763 0.000 0.894 464 L HN 0.048 nan 8.230 nan 0.000 0.432 465 V N -0.009 119.638 119.914 -0.445 0.000 2.407 465 V HA -0.266 3.854 4.120 -0.001 0.000 0.248 465 V C 2.787 178.717 176.094 -0.273 0.000 1.055 465 V CA 1.740 63.754 62.300 -0.476 0.000 1.049 465 V CB -1.089 30.348 31.823 -0.642 0.000 0.662 465 V HN 0.775 nan 8.190 nan 0.000 0.455 466 S N 0.552 116.155 115.700 -0.162 0.000 2.402 466 S HA -0.192 4.277 4.470 -0.001 0.000 0.229 466 S C 2.037 176.627 174.600 -0.016 0.000 1.021 466 S CA 1.109 59.288 58.200 -0.034 0.000 0.974 466 S CB -0.441 62.748 63.200 -0.018 0.000 0.800 466 S HN 0.602 nan 8.310 nan 0.000 0.484 467 R N 0.625 121.087 120.500 -0.063 0.000 2.075 467 R HA 0.065 4.405 4.340 -0.001 0.000 0.232 467 R C 2.322 178.626 176.300 0.006 0.000 1.126 467 R CA 1.309 57.389 56.100 -0.034 0.000 0.963 467 R CB -0.811 29.454 30.300 -0.059 0.000 0.858 467 R HN 0.352 nan 8.270 nan 0.000 0.435 468 V N 1.318 121.218 119.914 -0.023 0.000 2.343 468 V HA -0.216 3.904 4.120 -0.001 0.000 0.247 468 V C 2.429 178.658 176.094 0.224 0.000 1.051 468 V CA 1.944 64.308 62.300 0.106 0.000 1.036 468 V CB -0.651 31.177 31.823 0.008 0.000 0.654 468 V HN 0.387 nan 8.190 nan 0.000 0.451 469 A N 0.667 123.605 122.820 0.198 0.000 2.067 469 A HA -0.165 4.155 4.320 -0.001 0.000 0.219 469 A C 2.457 180.124 177.584 0.140 0.000 1.158 469 A CA 1.740 53.949 52.037 0.287 0.000 0.661 469 A CB -0.627 18.603 19.000 0.383 0.000 0.801 469 A HN 0.702 nan 8.150 nan 0.000 0.452 470 S N -1.009 114.736 115.700 0.075 0.000 2.469 470 S HA -0.116 4.354 4.470 -0.001 0.000 0.238 470 S C 1.729 176.296 174.600 -0.055 0.000 0.998 470 S CA 1.367 59.575 58.200 0.014 0.000 0.957 470 S CB -0.152 63.050 63.200 0.003 0.000 0.764 470 S HN 0.693 nan 8.310 nan 0.000 0.514 471 R N -1.399 119.037 120.500 -0.105 0.000 2.561 471 R HA 0.397 4.737 4.340 -0.001 0.000 0.213 471 R C -0.905 175.069 176.300 -0.543 0.000 0.885 471 R CA -0.067 55.804 56.100 -0.382 0.000 1.002 471 R CB 0.581 30.511 30.300 -0.617 0.000 1.432 471 R HN 0.374 nan 8.270 nan 0.000 0.651 472 F N 0.841 120.833 119.950 0.071 0.000 2.556 472 F HA 0.500 5.027 4.527 -0.001 0.000 0.327 472 F C 0.118 175.998 175.800 0.132 0.000 1.059 472 F CA -1.011 57.044 58.000 0.091 0.000 0.953 472 F CB 1.198 40.254 39.000 0.093 0.000 1.227 472 F HN -0.265 nan 8.300 nan 0.000 0.478 473 R N 3.963 124.651 120.500 0.314 0.000 2.205 473 R HA 0.143 4.483 4.340 -0.001 0.000 0.342 473 R C -0.860 175.592 176.300 0.255 0.000 1.058 473 R CA -0.429 55.776 56.100 0.176 0.000 0.904 473 R CB 0.292 30.648 30.300 0.094 0.000 1.089 473 R HN 0.800 nan 8.270 nan 0.000 0.471 474 W N 6.834 128.224 121.300 0.150 0.000 2.375 474 W HA 0.252 4.912 4.660 -0.001 0.000 0.336 474 W C -0.129 176.476 176.519 0.143 0.000 1.160 474 W CA -0.881 56.556 57.345 0.153 0.000 1.266 474 W CB 0.714 30.248 29.460 0.124 0.000 1.195 474 W HN 0.490 nan 8.180 nan 0.000 0.599 475 M N 1.222 121.042 119.600 0.366 0.000 2.163 475 M HA 0.263 4.742 4.480 -0.001 0.000 0.356 475 M C -1.417 175.097 176.300 0.357 0.000 0.863 475 M CA 0.456 55.816 55.300 0.100 0.000 1.113 475 M CB -0.142 32.503 32.600 0.075 0.000 2.038 475 M HN 0.722 nan 8.290 nan 0.000 0.691 476 H N 1.114 120.461 119.070 0.462 0.000 3.096 476 H HA 0.676 5.231 4.556 -0.001 0.000 0.335 476 H C -2.017 173.541 175.328 0.384 0.000 0.990 476 H CA -0.596 55.586 56.048 0.223 0.000 1.393 476 H CB 1.687 31.313 29.762 -0.227 0.000 1.742 476 H HN 0.269 nan 8.280 nan 0.000 0.501 477 L N 4.081 125.631 121.223 0.545 0.000 2.334 477 L HA 0.478 4.818 4.340 -0.001 0.000 0.276 477 L C -0.504 176.534 176.870 0.280 0.000 1.014 477 L CA -0.861 54.139 54.840 0.266 0.000 0.815 477 L CB 1.924 43.987 42.059 0.006 0.000 1.268 477 L HN 0.614 nan 8.230 nan 0.000 0.428 478 E N 2.651 122.955 120.200 0.174 0.000 2.260 478 E HA 0.318 4.668 4.350 -0.001 0.000 0.266 478 E C -1.196 175.427 176.600 0.038 0.000 0.887 478 E CA -0.655 55.835 56.400 0.150 0.000 0.777 478 E CB 2.760 32.581 29.700 0.201 0.000 1.205 478 E HN 0.419 nan 8.360 nan 0.000 0.414 479 K N 2.017 122.437 120.400 0.034 0.000 2.258 479 K HA 0.348 4.668 4.320 -0.001 0.000 0.264 479 K C -0.034 176.539 176.600 -0.045 0.000 1.007 479 K CA -0.200 56.080 56.287 -0.012 0.000 0.941 479 K CB 0.758 33.267 32.500 0.016 0.000 0.966 479 K HN 0.304 nan 8.250 nan 0.000 0.480 480 L N 3.710 124.855 121.223 -0.130 0.000 2.280 480 L HA 0.300 4.640 4.340 -0.001 0.000 0.287 480 L C -0.239 176.602 176.870 -0.049 0.000 1.023 480 L CA -0.517 54.160 54.840 -0.272 0.000 0.819 480 L CB 1.271 42.890 42.059 -0.733 0.000 1.212 480 L HN 0.534 nan 8.230 nan 0.000 0.420 481 Q N 2.649 122.475 119.800 0.044 0.000 2.413 481 Q HA 0.551 4.891 4.340 -0.001 0.000 0.276 481 Q C -1.193 174.585 176.000 -0.370 0.000 1.099 481 Q CA -0.905 54.781 55.803 -0.195 0.000 0.814 481 Q CB 3.122 31.624 28.738 -0.393 0.000 1.379 481 Q HN 0.494 nan 8.270 nan 0.000 0.436 482 E N 1.261 121.193 120.200 -0.447 0.000 2.199 482 E HA 0.459 4.809 4.350 -0.001 0.000 0.269 482 E C -1.355 174.943 176.600 -0.505 0.000 0.899 482 E CA -0.494 55.670 56.400 -0.394 0.000 0.772 482 E CB 1.338 30.959 29.700 -0.132 0.000 1.155 482 E HN 0.296 nan 8.360 nan 0.000 0.408 483 F N 1.544 121.504 119.950 0.017 0.000 2.477 483 F HA 0.214 4.741 4.527 -0.001 0.000 0.335 483 F C 0.207 176.000 175.800 -0.012 0.000 1.130 483 F CA -1.216 56.787 58.000 0.005 0.000 0.948 483 F CB 1.111 40.112 39.000 0.002 0.000 1.154 483 F HN 0.373 nan 8.300 nan 0.000 0.439 484 D N 2.497 122.992 120.400 0.157 0.000 2.751 484 D HA -0.183 4.457 4.640 -0.001 0.000 0.233 484 D C 1.411 177.735 176.300 0.040 0.000 1.149 484 D CA 1.737 55.782 54.000 0.076 0.000 0.682 484 D CB -0.927 39.908 40.800 0.059 0.000 1.068 484 D HN 1.102 nan 8.370 nan 0.000 0.429 485 G N -0.981 107.833 108.800 0.023 0.000 2.179 485 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.260 485 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.260 485 G C 0.007 174.890 174.900 -0.028 0.000 0.977 485 G CA 0.484 45.582 45.100 -0.004 0.000 0.641 485 G HN 0.376 nan 8.290 nan 0.000 0.533 486 E N 1.211 121.394 120.200 -0.029 0.000 2.171 486 E HA 0.421 4.771 4.350 -0.001 0.000 0.271 486 E C -2.394 174.114 176.600 -0.153 0.000 0.916 486 E CA -2.054 54.303 56.400 -0.070 0.000 0.774 486 E CB 2.137 31.822 29.700 -0.026 0.000 1.128 486 E HN 0.218 nan 8.360 nan 0.000 0.403 487 P HA 0.036 nan 4.420 nan 0.000 0.267 487 P C 0.360 177.362 177.300 -0.496 0.000 1.209 487 P CA -0.109 62.627 63.100 -0.606 0.000 0.763 487 P CB 0.554 31.623 31.700 -1.053 0.000 0.816 488 G N 3.571 112.190 108.800 -0.303 0.000 3.639 488 G HA2 0.428 4.387 3.960 -0.001 0.000 0.279 488 G HA3 0.428 4.387 3.960 -0.001 0.000 0.279 488 G C -0.302 174.717 174.900 0.197 0.000 1.312 488 G CA -0.370 44.746 45.100 0.027 0.000 1.355 488 G HN 0.567 nan 8.290 nan 0.000 0.595 489 F N -2.036 117.936 119.950 0.036 0.000 2.773 489 F HA 0.710 5.237 4.527 -0.000 0.000 0.314 489 F C -0.310 175.512 175.800 0.037 0.000 1.160 489 F CA -1.328 56.700 58.000 0.046 0.000 0.920 489 F CB 0.719 39.737 39.000 0.030 0.000 1.323 489 F HN 0.062 nan 8.300 nan 0.000 0.457 490 T N -1.469 113.234 114.554 0.248 0.000 2.949 490 T HA 0.643 4.993 4.350 -0.001 0.000 0.287 490 T C -0.678 174.141 174.700 0.198 0.000 1.034 490 T CA -1.096 61.086 62.100 0.136 0.000 1.018 490 T CB 1.944 70.874 68.868 0.104 0.000 1.135 490 T HN 0.768 nan 8.240 nan 0.000 0.532 491 K N 0.093 120.560 120.400 0.111 0.000 2.098 491 K HA 0.690 5.009 4.320 -0.001 0.000 0.244 491 K C 0.259 176.900 176.600 0.069 0.000 1.014 491 K CA -0.917 55.428 56.287 0.097 0.000 0.917 491 K CB 0.800 33.334 32.500 0.057 0.000 1.072 491 K HN 0.810 nan 8.250 nan 0.000 0.477 492 A N 0.969 123.815 122.820 0.043 0.000 2.287 492 A HA 0.137 4.457 4.320 -0.001 0.000 0.273 492 A C -0.357 177.244 177.584 0.027 0.000 1.091 492 A CA -0.501 51.554 52.037 0.030 0.000 0.817 492 A CB 0.349 19.353 19.000 0.007 0.000 1.069 492 A HN 0.536 nan 8.150 nan 0.000 0.492 493 Q N -0.262 119.555 119.800 0.028 0.000 2.313 493 Q HA 0.375 4.715 4.340 -0.001 0.000 0.266 493 Q C 1.008 177.017 176.000 0.015 0.000 0.989 493 Q CA 1.227 57.044 55.803 0.024 0.000 0.890 493 Q CB 1.025 29.779 28.738 0.027 0.000 1.200 493 Q HN 1.667 nan 8.270 nan 0.000 0.396 494 G N 2.584 111.391 108.800 0.011 0.000 2.176 494 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.253 494 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.253 494 G C 0.118 175.016 174.900 -0.003 0.000 0.979 494 G CA 0.408 45.510 45.100 0.004 0.000 0.641 494 G HN 0.583 nan 8.290 nan 0.000 0.530 495 E N 1.141 121.341 120.200 0.000 0.000 2.194 495 E HA 0.443 4.793 4.350 -0.001 0.000 0.284 495 E C -0.383 176.214 176.600 -0.004 0.000 1.035 495 E CA -0.700 55.697 56.400 -0.006 0.000 0.836 495 E CB 0.522 30.222 29.700 0.001 0.000 1.070 495 E HN 0.239 nan 8.360 nan 0.000 0.401 496 D N 0.000 120.393 120.400 -0.012 0.000 6.856 496 D HA 0.000 4.640 4.640 -0.001 0.000 0.175 496 D CA 0.000 53.994 54.000 -0.009 0.000 0.868 496 D CB 0.000 40.791 40.800 -0.014 0.000 0.688 496 D HN 0.000 nan 8.370 nan 0.000 0.683