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 1yew_1_I DATA FIRST_RESID 33 DATA SEQUENCE HGEKSQAAFM RMRTIHWYDL SWSKEKVKIN ETVEIKGKFH VFEGWPETVD DATA SEQUENCE EPDVAFLNVG MPGPVFIRKE SYIGGQLVPR SVRLEIGKTY DFRVVLKARR DATA SEQUENCE PGDWHVHTMM NVQGGGPIIG PGKWITVEGS MSEFRNPVTT LTGQTVDLEN DATA SEQUENCE YNEGNTYFWH AFWFAIGVAW IGYWSRRPIF IPRLLMVDAG RADELVSATD DATA SEQUENCE RKVAMGFLAA TILIVVMAMS SANSKYPITI PLQAGTMRGM KPLELPAPTV DATA SEQUENCE SVKVEDATYR VPGRAMRMKL TITNHGNSPI RLGEFYTASV RFLDSDVYKD DATA SEQUENCE TTGYPEDLLA EDGLSVSDNS PLAPGETRTV DVTASDAAWE VYRLSDIIYD DATA SEQUENCE PDSRFAGLLF FFDATGNRQV VQIDAPLIPS FM 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 33 H HA 0.000 nan 4.556 nan 0.000 0.296 33 H C 0.000 175.268 175.328 -0.100 0.000 0.993 33 H CA 0.000 56.066 56.048 0.030 0.000 1.023 33 H CB 0.000 29.810 29.762 0.079 0.000 1.292 34 G N 2.076 110.872 108.800 -0.007 0.000 2.909 34 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.198 34 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.198 34 G C 0.443 175.305 174.900 -0.063 0.000 1.124 34 G CA -0.020 45.051 45.100 -0.048 0.000 0.796 34 G HN 0.759 nan 8.290 nan 0.000 0.489 35 E N 1.526 121.681 120.200 -0.076 0.000 2.435 35 E HA 0.390 4.740 4.350 -0.000 0.000 0.254 35 E C 0.900 177.481 176.600 -0.033 0.000 1.289 35 E CA 1.041 57.424 56.400 -0.028 0.000 0.983 35 E CB 0.897 30.614 29.700 0.029 0.000 1.010 35 E HN 0.586 nan 8.360 nan 0.000 0.509 36 K N -1.417 118.975 120.400 -0.013 0.000 6.337 36 K HA -0.230 4.090 4.320 -0.000 0.000 0.470 36 K C 1.618 178.183 176.600 -0.059 0.000 0.352 36 K CA 1.469 57.717 56.287 -0.064 0.000 1.970 36 K CB -2.076 30.324 32.500 -0.168 0.000 0.581 36 K HN 0.643 nan 8.250 nan 0.000 0.722 37 S N 2.232 117.895 115.700 -0.060 0.000 2.555 37 S HA -0.095 4.375 4.470 -0.000 0.000 0.230 37 S C 0.621 175.200 174.600 -0.036 0.000 0.978 37 S CA 0.654 58.823 58.200 -0.051 0.000 0.934 37 S CB -0.332 62.839 63.200 -0.048 0.000 0.766 37 S HN 0.432 nan 8.310 nan 0.000 0.533 38 Q N 1.067 120.849 119.800 -0.030 0.000 2.257 38 Q HA 0.715 5.054 4.340 -0.000 0.000 0.255 38 Q C -0.250 175.741 176.000 -0.015 0.000 0.920 38 Q CA -0.689 55.097 55.803 -0.027 0.000 0.927 38 Q CB 1.263 29.976 28.738 -0.043 0.000 1.229 38 Q HN 0.221 nan 8.270 nan 0.000 0.433 39 A N 2.496 125.320 122.820 0.006 0.000 2.538 39 A HA 0.009 4.329 4.320 -0.000 0.000 0.282 39 A C 1.359 178.975 177.584 0.053 0.000 0.945 39 A CA 0.759 52.841 52.037 0.074 0.000 1.041 39 A CB -0.410 18.653 19.000 0.105 0.000 0.791 39 A HN 1.074 nan 8.150 nan 0.000 0.445 40 A N 3.812 126.712 122.820 0.134 0.000 1.948 40 A HA -0.055 4.265 4.320 -0.000 0.000 0.220 40 A C 1.668 179.337 177.584 0.142 0.000 1.177 40 A CA 2.048 54.139 52.037 0.090 0.000 0.636 40 A CB -0.707 18.317 19.000 0.040 0.000 0.815 40 A HN 1.894 nan 8.150 nan 0.000 0.449 41 F N -1.381 118.586 119.950 0.029 0.000 2.558 41 F HA 0.072 4.599 4.527 -0.000 0.000 0.298 41 F C 1.785 177.600 175.800 0.025 0.000 1.119 41 F CA 0.730 58.760 58.000 0.049 0.000 1.451 41 F CB -0.493 38.548 39.000 0.069 0.000 1.091 41 F HN 0.044 nan 8.300 nan 0.000 0.563 42 M N 0.431 119.506 119.600 -0.875 0.000 2.236 42 M HA 0.020 4.500 4.480 -0.000 0.000 0.266 42 M C 2.160 178.261 176.300 -0.332 0.000 1.070 42 M CA 1.136 55.993 55.300 -0.739 0.000 1.137 42 M CB -0.938 31.291 32.600 -0.618 0.000 1.378 42 M HN 0.230 nan 8.290 nan 0.000 0.426 43 R N -0.137 120.253 120.500 -0.183 0.000 2.148 43 R HA 0.026 4.366 4.340 -0.000 0.000 0.227 43 R C 2.066 178.377 176.300 0.018 0.000 1.103 43 R CA 1.074 57.148 56.100 -0.043 0.000 0.983 43 R CB -0.057 30.246 30.300 0.004 0.000 0.874 43 R HN 0.350 nan 8.270 nan 0.000 0.451 44 M N -0.795 118.820 119.600 0.025 0.000 2.357 44 M HA -0.016 4.464 4.480 -0.000 0.000 0.266 44 M C 0.963 177.286 176.300 0.039 0.000 1.095 44 M CA 1.345 56.709 55.300 0.107 0.000 1.156 44 M CB 0.461 33.172 32.600 0.185 0.000 1.365 44 M HN -0.128 nan 8.290 nan 0.000 0.447 45 R N -0.917 119.556 120.500 -0.045 0.000 2.791 45 R HA 0.215 4.555 4.340 -0.000 0.000 0.357 45 R C 0.577 176.890 176.300 0.022 0.000 1.173 45 R CA -0.049 56.033 56.100 -0.029 0.000 1.060 45 R CB 0.355 30.794 30.300 0.232 0.000 1.406 45 R HN 0.126 nan 8.270 nan 0.000 0.580 46 T N -0.397 114.049 114.554 -0.180 0.000 3.361 46 T HA 0.406 4.756 4.350 -0.000 0.000 0.241 46 T C -0.151 174.526 174.700 -0.039 0.000 0.998 46 T CA 0.338 62.257 62.100 -0.303 0.000 1.215 46 T CB 0.520 69.084 68.868 -0.507 0.000 1.196 46 T HN -0.019 nan 8.240 nan 0.000 0.376 47 I N 1.425 121.922 120.570 -0.121 0.000 2.582 47 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 47 I C -1.332 174.639 176.117 -0.244 0.000 1.066 47 I CA -0.839 60.363 61.300 -0.164 0.000 1.053 47 I CB 2.223 40.059 38.000 -0.273 0.000 1.241 47 I HN 0.405 nan 8.210 nan 0.000 0.421 48 H N 4.267 123.398 119.070 0.101 0.000 2.488 48 H HA 0.328 4.884 4.556 -0.000 0.000 0.322 48 H C -1.519 173.870 175.328 0.102 0.000 1.078 48 H CA -0.387 55.770 56.048 0.181 0.000 1.260 48 H CB 1.009 30.872 29.762 0.169 0.000 1.425 48 H HN 0.397 nan 8.280 nan 0.000 0.471 49 W N 4.628 126.140 121.300 0.352 0.000 2.478 49 W HA 0.390 5.050 4.660 -0.000 0.000 0.318 49 W C -0.739 175.916 176.519 0.227 0.000 1.062 49 W CA -0.778 56.789 57.345 0.369 0.000 1.210 49 W CB 0.578 30.273 29.460 0.392 0.000 1.325 49 W HN 0.572 nan 8.180 nan 0.000 0.496 50 Y N -1.181 119.291 120.300 0.287 0.000 2.705 50 Y HA 0.458 5.008 4.550 -0.000 0.000 0.332 50 Y C -0.119 175.866 175.900 0.142 0.000 1.221 50 Y CA -1.854 56.337 58.100 0.151 0.000 1.059 50 Y CB 1.037 39.533 38.460 0.060 0.000 1.298 50 Y HN 0.369 nan 8.280 nan 0.000 0.459 51 D N 0.770 121.223 120.400 0.089 0.000 2.751 51 D HA -0.149 4.491 4.640 -0.000 0.000 0.233 51 D C -0.803 175.432 176.300 -0.108 0.000 1.149 51 D CA 0.747 54.721 54.000 -0.043 0.000 0.682 51 D CB -0.599 40.108 40.800 -0.155 0.000 1.068 51 D HN 0.541 nan 8.370 nan 0.000 0.429 52 L N 0.565 121.784 121.223 -0.007 0.000 2.410 52 L HA 0.265 4.605 4.340 -0.000 0.000 0.273 52 L C 1.066 177.653 176.870 -0.471 0.000 1.152 52 L CA 0.753 55.451 54.840 -0.236 0.000 0.855 52 L CB 0.912 42.958 42.059 -0.021 0.000 1.129 52 L HN 0.287 nan 8.230 nan 0.000 0.463 53 S N 3.719 118.935 115.700 -0.808 0.000 2.556 53 S HA 0.619 5.089 4.470 -0.000 0.000 0.271 53 S C -1.484 172.656 174.600 -0.766 0.000 1.135 53 S CA -0.916 56.925 58.200 -0.599 0.000 0.858 53 S CB 1.888 64.958 63.200 -0.218 0.000 1.114 53 S HN 0.522 nan 8.310 nan 0.000 0.468 54 W N 2.441 123.749 121.300 0.014 0.000 2.463 54 W HA 0.282 4.942 4.660 -0.000 0.000 0.316 54 W C 1.389 177.918 176.519 0.016 0.000 1.004 54 W CA -0.549 56.797 57.345 0.002 0.000 1.309 54 W CB 1.865 31.315 29.460 -0.017 0.000 1.288 54 W HN 1.061 nan 8.180 nan 0.000 0.423 55 S N 2.340 118.135 115.700 0.158 0.000 2.400 55 S HA -0.218 4.252 4.470 -0.000 0.000 0.234 55 S C 0.584 175.268 174.600 0.140 0.000 1.049 55 S CA 1.317 59.588 58.200 0.118 0.000 1.039 55 S CB 0.192 63.441 63.200 0.083 0.000 0.856 55 S HN 0.513 nan 8.310 nan 0.000 0.465 56 K N -1.105 119.399 120.400 0.173 0.000 2.548 56 K HA 0.485 4.805 4.320 -0.000 0.000 0.282 56 K C 0.136 176.828 176.600 0.154 0.000 1.006 56 K CA -0.272 56.105 56.287 0.149 0.000 0.892 56 K CB 1.821 34.398 32.500 0.129 0.000 1.499 56 K HN 0.083 nan 8.250 nan 0.000 0.433 57 E N 0.419 120.690 120.200 0.118 0.000 2.414 57 E HA 0.159 4.509 4.350 -0.000 0.000 0.208 57 E C -0.651 176.010 176.600 0.100 0.000 0.820 57 E CA 0.188 56.640 56.400 0.087 0.000 1.143 57 E CB 0.759 30.492 29.700 0.054 0.000 1.150 57 E HN 0.234 nan 8.360 nan 0.000 0.540 58 K N 0.796 121.256 120.400 0.100 0.000 2.345 58 K HA 0.543 4.863 4.320 -0.000 0.000 0.255 58 K C -1.777 174.895 176.600 0.121 0.000 0.934 58 K CA -0.744 55.602 56.287 0.098 0.000 0.801 58 K CB 2.322 34.857 32.500 0.058 0.000 1.137 58 K HN -0.085 nan 8.250 nan 0.000 0.424 59 V N 3.267 123.266 119.914 0.141 0.000 2.888 59 V HA 0.317 4.437 4.120 -0.000 0.000 0.309 59 V C -0.895 175.270 176.094 0.118 0.000 1.114 59 V CA -0.976 61.417 62.300 0.156 0.000 0.940 59 V CB 2.271 34.245 31.823 0.252 0.000 1.021 59 V HN 0.698 nan 8.190 nan 0.000 0.426 60 K N 3.011 123.473 120.400 0.102 0.000 2.098 60 K HA 0.546 4.866 4.320 -0.000 0.000 0.261 60 K C -0.120 176.534 176.600 0.089 0.000 0.987 60 K CA -0.655 55.680 56.287 0.080 0.000 0.916 60 K CB 0.889 33.430 32.500 0.068 0.000 1.039 60 K HN 0.478 nan 8.250 nan 0.000 0.455 61 I N 3.497 124.114 120.570 0.078 0.000 2.880 61 I HA -0.205 3.965 4.170 -0.000 0.000 0.296 61 I C 0.758 176.960 176.117 0.141 0.000 1.220 61 I CA 1.265 62.628 61.300 0.105 0.000 1.435 61 I CB -0.305 37.761 38.000 0.111 0.000 1.339 61 I HN 0.941 nan 8.210 nan 0.000 0.583 62 N N 1.455 120.287 118.700 0.220 0.000 2.967 62 N HA -0.191 4.549 4.740 -0.000 0.000 0.218 62 N C 0.052 175.649 175.510 0.146 0.000 0.870 62 N CA 1.193 54.353 53.050 0.183 0.000 1.030 62 N CB -0.511 38.022 38.487 0.076 0.000 1.027 62 N HN 0.703 nan 8.380 nan 0.000 0.603 63 E N 0.359 120.647 120.200 0.147 0.000 2.371 63 E HA 0.263 4.613 4.350 -0.000 0.000 0.257 63 E C -0.239 176.475 176.600 0.191 0.000 1.134 63 E CA 0.278 56.764 56.400 0.143 0.000 0.919 63 E CB 0.888 30.667 29.700 0.130 0.000 1.025 63 E HN -0.026 nan 8.360 nan 0.000 0.438 64 T N 0.782 115.438 114.554 0.169 0.000 2.859 64 T HA 0.426 4.776 4.350 -0.000 0.000 0.281 64 T C -1.305 173.504 174.700 0.181 0.000 1.005 64 T CA -0.544 61.663 62.100 0.179 0.000 1.025 64 T CB 1.242 70.189 68.868 0.131 0.000 0.977 64 T HN 0.186 nan 8.240 nan 0.000 0.458 65 V N 3.604 123.627 119.914 0.182 0.000 2.789 65 V HA 0.712 4.832 4.120 -0.000 0.000 0.311 65 V C -1.214 174.930 176.094 0.084 0.000 1.073 65 V CA -0.700 61.682 62.300 0.137 0.000 0.921 65 V CB 1.989 33.899 31.823 0.146 0.000 1.009 65 V HN 0.939 nan 8.190 nan 0.000 0.426 66 E N 5.875 126.123 120.200 0.080 0.000 2.191 66 E HA 0.512 4.862 4.350 -0.000 0.000 0.263 66 E C -1.447 175.155 176.600 0.004 0.000 0.881 66 E CA -0.696 55.734 56.400 0.050 0.000 0.757 66 E CB 1.730 31.460 29.700 0.051 0.000 1.147 66 E HN 0.775 nan 8.360 nan 0.000 0.414 67 I N 4.602 125.160 120.570 -0.020 0.000 2.354 67 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 67 I C 0.098 176.146 176.117 -0.114 0.000 0.989 67 I CA -0.639 60.585 61.300 -0.127 0.000 1.188 67 I CB 1.251 39.237 38.000 -0.023 0.000 1.342 67 I HN 0.317 nan 8.210 nan 0.000 0.457 68 K N 4.043 124.245 120.400 -0.330 0.000 2.444 68 K HA 0.890 5.210 4.320 -0.000 0.000 0.252 68 K C -0.454 175.677 176.600 -0.782 0.000 0.993 68 K CA -0.907 55.093 56.287 -0.479 0.000 0.847 68 K CB 3.062 35.361 32.500 -0.335 0.000 1.340 68 K HN 0.849 nan 8.250 nan 0.000 0.446 69 G N 0.857 108.944 108.800 -1.189 0.000 2.316 69 G HA2 0.179 4.139 3.960 -0.000 0.000 0.296 69 G HA3 0.179 4.139 3.960 -0.000 0.000 0.296 69 G C -1.840 172.597 174.900 -0.772 0.000 1.399 69 G CA -0.898 43.685 45.100 -0.862 0.000 0.833 69 G HN 0.334 nan 8.290 nan 0.000 0.565 70 K N -0.576 119.618 120.400 -0.343 0.000 2.156 70 K HA 0.766 5.085 4.320 -0.000 0.000 0.250 70 K C -1.020 175.686 176.600 0.176 0.000 0.955 70 K CA -0.687 55.459 56.287 -0.235 0.000 0.855 70 K CB 1.942 34.040 32.500 -0.669 0.000 1.101 70 K HN 0.591 nan 8.250 nan 0.000 0.434 71 F N -1.194 118.845 119.950 0.148 0.000 2.578 71 F HA 0.402 4.929 4.527 -0.000 0.000 0.311 71 F C -0.831 175.052 175.800 0.139 0.000 1.094 71 F CA -0.971 57.061 58.000 0.053 0.000 0.923 71 F CB 1.365 40.142 39.000 -0.372 0.000 1.230 71 F HN 0.441 nan 8.300 nan 0.000 0.450 72 H N 3.344 122.504 119.070 0.150 0.000 2.466 72 H HA 0.611 5.167 4.556 -0.000 0.000 0.338 72 H C -1.279 174.161 175.328 0.187 0.000 1.091 72 H CA -0.845 55.274 56.048 0.118 0.000 1.207 72 H CB 2.210 32.119 29.762 0.244 0.000 1.466 72 H HN 0.898 nan 8.280 nan 0.000 0.493 73 V N 5.134 124.902 119.914 -0.244 0.000 2.383 73 V HA 0.263 4.383 4.120 -0.000 0.000 0.275 73 V C -0.261 175.702 176.094 -0.218 0.000 1.036 73 V CA -0.708 61.545 62.300 -0.080 0.000 0.889 73 V CB 0.153 31.964 31.823 -0.019 0.000 0.985 73 V HN 0.635 nan 8.190 nan 0.000 0.459 74 F N 5.990 125.920 119.950 -0.033 0.000 2.538 74 F HA 0.245 4.772 4.527 -0.000 0.000 0.371 74 F C 1.705 177.571 175.800 0.110 0.000 1.087 74 F CA -0.286 57.750 58.000 0.061 0.000 1.250 74 F CB 1.070 40.136 39.000 0.110 0.000 1.110 74 F HN 0.826 nan 8.300 nan 0.000 0.570 75 E N 3.357 123.403 120.200 -0.258 0.000 2.409 75 E HA -0.075 4.275 4.350 -0.000 0.000 0.198 75 E C 1.325 177.557 176.600 -0.614 0.000 1.024 75 E CA 0.802 56.996 56.400 -0.342 0.000 0.861 75 E CB -0.274 29.350 29.700 -0.128 0.000 0.788 75 E HN 0.803 nan 8.360 nan 0.000 0.521 76 G N 0.857 108.731 108.800 -1.543 0.000 3.690 76 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.283 76 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.283 76 G C -0.208 174.504 174.900 -0.313 0.000 1.057 76 G CA -0.755 43.707 45.100 -1.064 0.000 0.821 76 G HN 0.198 nan 8.290 nan 0.000 0.526 77 W N 2.649 123.774 121.300 -0.293 0.000 2.604 77 W HA -0.073 4.587 4.660 -0.000 0.000 0.331 77 W C -1.554 174.979 176.519 0.023 0.000 0.933 77 W CA -0.369 56.960 57.345 -0.026 0.000 1.045 77 W CB 0.537 29.962 29.460 -0.059 0.000 1.062 77 W HN 0.166 nan 8.180 nan 0.000 0.551 78 P HA -0.086 nan 4.420 nan 0.000 0.274 78 P C 0.415 177.721 177.300 0.009 0.000 1.264 78 P CA 0.375 63.445 63.100 -0.049 0.000 0.795 78 P CB 0.660 32.240 31.700 -0.199 0.000 1.064 79 E N -0.253 119.992 120.200 0.074 0.000 2.022 79 E HA -0.126 4.224 4.350 -0.000 0.000 0.190 79 E C 0.729 177.398 176.600 0.114 0.000 0.973 79 E CA 1.868 58.334 56.400 0.110 0.000 0.816 79 E CB -0.379 29.385 29.700 0.106 0.000 0.781 79 E HN 0.687 nan 8.360 nan 0.000 0.456 80 T N -1.579 113.029 114.554 0.090 0.000 7.714 80 T HA -0.187 4.163 4.350 -0.000 0.000 0.312 80 T C -0.412 174.303 174.700 0.025 0.000 1.937 80 T CA 1.052 63.190 62.100 0.064 0.000 2.886 80 T CB -1.807 67.106 68.868 0.074 0.000 2.426 80 T HN 0.043 nan 8.240 nan 0.000 1.226 81 V N 1.642 121.588 119.914 0.052 0.000 2.610 81 V HA 0.437 4.557 4.120 -0.000 0.000 0.298 81 V C -0.311 175.972 176.094 0.315 0.000 1.067 81 V CA -1.068 61.284 62.300 0.086 0.000 0.894 81 V CB 1.793 33.523 31.823 -0.156 0.000 1.015 81 V HN 0.406 nan 8.190 nan 0.000 0.432 82 D N 3.220 123.765 120.400 0.241 0.000 2.506 82 D HA 0.076 4.716 4.640 -0.000 0.000 0.234 82 D C 0.588 177.080 176.300 0.321 0.000 1.143 82 D CA 0.531 54.663 54.000 0.220 0.000 0.871 82 D CB 0.683 41.558 40.800 0.125 0.000 1.190 82 D HN 0.589 nan 8.370 nan 0.000 0.459 83 E N 2.682 122.949 120.200 0.111 0.000 2.442 83 E HA 0.022 4.372 4.350 -0.000 0.000 0.262 83 E C -1.749 174.736 176.600 -0.193 0.000 1.004 83 E CA -1.009 55.254 56.400 -0.228 0.000 0.928 83 E CB 0.206 29.768 29.700 -0.229 0.000 0.937 83 E HN 0.281 nan 8.360 nan 0.000 0.446 84 P HA 0.030 nan 4.420 nan 0.000 0.228 84 P C -0.601 176.626 177.300 -0.120 0.000 1.748 84 P CA 0.097 63.092 63.100 -0.175 0.000 0.909 84 P CB 0.085 31.638 31.700 -0.245 0.000 1.882 85 D N -0.035 120.312 120.400 -0.088 0.000 2.178 85 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 85 D C 0.723 177.005 176.300 -0.031 0.000 0.980 85 D CA 1.226 55.191 54.000 -0.058 0.000 0.842 85 D CB 0.217 40.992 40.800 -0.042 0.000 0.948 85 D HN 0.153 nan 8.370 nan 0.000 0.472 86 V N -0.539 119.367 119.914 -0.013 0.000 2.516 86 V HA 0.695 4.815 4.120 -0.000 0.000 0.271 86 V C -1.200 174.913 176.094 0.032 0.000 0.992 86 V CA -0.447 61.857 62.300 0.007 0.000 0.857 86 V CB 0.729 32.555 31.823 0.004 0.000 1.047 86 V HN 0.066 nan 8.190 nan 0.000 0.455 87 A N 5.689 128.533 122.820 0.041 0.000 2.387 87 A HA 1.017 5.337 4.320 -0.000 0.000 0.303 87 A C -1.458 176.214 177.584 0.146 0.000 1.145 87 A CA -0.750 51.331 52.037 0.074 0.000 0.801 87 A CB 1.950 20.965 19.000 0.026 0.000 1.342 87 A HN 1.462 nan 8.150 nan 0.000 0.440 88 F N 0.474 120.395 119.950 -0.047 0.000 2.581 88 F HA 0.492 5.018 4.527 -0.000 0.000 0.311 88 F C -1.235 174.521 175.800 -0.073 0.000 1.113 88 F CA -0.857 57.109 58.000 -0.056 0.000 0.935 88 F CB 1.538 40.511 39.000 -0.045 0.000 1.232 88 F HN 0.527 nan 8.300 nan 0.000 0.445 89 L N 6.845 127.525 121.223 -0.904 0.000 2.295 89 L HA 0.334 4.674 4.340 -0.000 0.000 0.288 89 L C -0.875 175.368 176.870 -1.044 0.000 1.079 89 L CA 0.141 54.538 54.840 -0.739 0.000 0.830 89 L CB -0.058 41.694 42.059 -0.510 0.000 1.200 89 L HN 0.755 nan 8.230 nan 0.000 0.438 90 N N 3.046 121.398 118.700 -0.579 0.000 2.725 90 N HA 0.607 5.347 4.740 -0.000 0.000 0.312 90 N C -1.262 174.103 175.510 -0.241 0.000 1.295 90 N CA -0.426 52.418 53.050 -0.343 0.000 0.914 90 N CB 1.999 40.480 38.487 -0.010 0.000 1.177 90 N HN 0.287 nan 8.380 nan 0.000 0.601 91 V N -0.398 119.439 119.914 -0.128 0.000 2.733 91 V HA 0.579 4.699 4.120 -0.000 0.000 0.306 91 V C 0.082 176.131 176.094 -0.076 0.000 1.084 91 V CA -1.106 61.121 62.300 -0.121 0.000 0.905 91 V CB 1.453 33.215 31.823 -0.103 0.000 1.010 91 V HN 0.726 nan 8.190 nan 0.000 0.424 92 G N 4.981 113.738 108.800 -0.072 0.000 2.329 92 G HA2 0.752 4.712 3.960 -0.000 0.000 0.309 92 G HA3 0.752 4.712 3.960 -0.000 0.000 0.309 92 G C -0.703 174.203 174.900 0.010 0.000 1.110 92 G CA -0.368 44.705 45.100 -0.044 0.000 0.923 92 G HN 0.874 nan 8.290 nan 0.000 0.430 93 M N 1.717 121.304 119.600 -0.022 0.000 2.724 93 M HA 0.335 4.815 4.480 -0.000 0.000 0.280 93 M C -3.174 173.075 176.300 -0.086 0.000 1.090 93 M CA -1.533 53.747 55.300 -0.033 0.000 0.838 93 M CB 1.315 33.903 32.600 -0.021 0.000 1.729 93 M HN 0.083 nan 8.290 nan 0.000 0.530 94 P HA 0.348 nan 4.420 nan 0.000 0.252 94 P C 0.619 177.787 177.300 -0.219 0.000 1.694 94 P CA 1.338 64.352 63.100 -0.143 0.000 1.163 94 P CB -0.295 31.347 31.700 -0.097 0.000 1.934 95 G N 4.600 113.308 108.800 -0.154 0.000 2.645 95 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.239 95 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.239 95 G C -2.528 172.252 174.900 -0.200 0.000 1.331 95 G CA -0.888 44.118 45.100 -0.156 0.000 0.890 95 G HN 0.299 nan 8.290 nan 0.000 0.572 96 P HA 0.326 nan 4.420 nan 0.000 0.225 96 P C 1.091 178.191 177.300 -0.334 0.000 1.813 96 P CA 0.368 63.349 63.100 -0.198 0.000 1.013 96 P CB 0.033 31.637 31.700 -0.159 0.000 1.961 97 V N -2.949 116.698 119.914 -0.445 0.000 3.406 97 V HA 0.249 4.369 4.120 -0.000 0.000 0.263 97 V C 0.243 175.946 176.094 -0.652 0.000 1.172 97 V CA 0.730 62.595 62.300 -0.725 0.000 1.140 97 V CB -1.140 29.759 31.823 -1.540 0.000 0.784 97 V HN -0.072 nan 8.190 nan 0.000 0.467 98 F N 0.321 120.099 119.950 -0.286 0.000 2.611 98 F HA 0.767 5.293 4.527 -0.000 0.000 0.324 98 F C -0.084 175.627 175.800 -0.150 0.000 1.061 98 F CA -1.513 56.394 58.000 -0.156 0.000 0.954 98 F CB 1.899 40.864 39.000 -0.058 0.000 1.301 98 F HN -0.004 nan 8.300 nan 0.000 0.482 99 I N -0.638 120.001 120.570 0.116 0.000 2.607 99 I HA 0.634 4.804 4.170 -0.000 0.000 0.305 99 I C -0.433 175.767 176.117 0.138 0.000 0.995 99 I CA -1.024 60.339 61.300 0.104 0.000 1.148 99 I CB 1.800 39.889 38.000 0.147 0.000 1.323 99 I HN 0.575 nan 8.210 nan 0.000 0.461 100 R N 3.323 123.877 120.500 0.089 0.000 2.216 100 R HA 0.205 4.545 4.340 -0.000 0.000 0.332 100 R C 0.362 176.700 176.300 0.064 0.000 1.056 100 R CA -0.430 55.708 56.100 0.062 0.000 0.901 100 R CB 0.955 31.273 30.300 0.029 0.000 1.039 100 R HN 0.725 nan 8.270 nan 0.000 0.456 101 K N 2.879 123.322 120.400 0.071 0.000 2.044 101 K HA 0.045 4.365 4.320 -0.000 0.000 0.204 101 K C -0.368 176.238 176.600 0.009 0.000 1.045 101 K CA 1.467 57.791 56.287 0.062 0.000 0.951 101 K CB 0.399 32.952 32.500 0.088 0.000 0.738 101 K HN 0.706 nan 8.250 nan 0.000 0.443 102 E N -1.277 118.911 120.200 -0.021 0.000 2.408 102 E HA 0.420 4.770 4.350 -0.000 0.000 0.275 102 E C -1.500 174.960 176.600 -0.232 0.000 0.935 102 E CA -0.826 55.475 56.400 -0.165 0.000 0.775 102 E CB 2.195 31.817 29.700 -0.129 0.000 1.277 102 E HN 0.117 nan 8.360 nan 0.000 0.455 103 S N 0.527 115.951 115.700 -0.460 0.000 2.575 103 S HA 0.621 5.091 4.470 -0.000 0.000 0.278 103 S C -1.473 172.815 174.600 -0.521 0.000 1.139 103 S CA -0.830 57.169 58.200 -0.335 0.000 0.954 103 S CB 0.443 63.512 63.200 -0.218 0.000 1.054 103 S HN 0.450 nan 8.310 nan 0.000 0.483 104 Y N 2.171 122.503 120.300 0.054 0.000 2.485 104 Y HA 0.751 5.301 4.550 -0.000 0.000 0.345 104 Y C 0.004 175.969 175.900 0.109 0.000 0.998 104 Y CA -1.217 56.919 58.100 0.060 0.000 1.059 104 Y CB 1.923 40.413 38.460 0.050 0.000 1.234 104 Y HN 0.905 nan 8.280 nan 0.000 0.461 105 I N 1.569 122.286 120.570 0.244 0.000 2.586 105 I HA 0.763 4.933 4.170 -0.000 0.000 0.288 105 I C -0.014 176.194 176.117 0.152 0.000 1.147 105 I CA -0.090 61.343 61.300 0.222 0.000 1.047 105 I CB 1.328 39.439 38.000 0.184 0.000 1.244 105 I HN 0.807 nan 8.210 nan 0.000 0.429 106 G N 4.759 113.658 108.800 0.165 0.000 2.598 106 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 106 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 106 G C 0.658 175.619 174.900 0.101 0.000 1.302 106 G CA 0.089 45.264 45.100 0.125 0.000 0.903 106 G HN 1.493 nan 8.290 nan 0.000 0.575 107 G N -0.382 108.456 108.800 0.063 0.000 2.498 107 G HA2 0.223 4.183 3.960 -0.000 0.000 0.219 107 G HA3 0.223 4.183 3.960 -0.000 0.000 0.219 107 G C 0.897 175.859 174.900 0.103 0.000 1.119 107 G CA 1.848 46.962 45.100 0.024 0.000 0.766 107 G HN 0.950 nan 8.290 nan 0.000 0.552 108 Q N -0.164 119.746 119.800 0.183 0.000 2.259 108 Q HA 0.518 4.858 4.340 -0.000 0.000 0.246 108 Q C -0.290 175.917 176.000 0.346 0.000 0.920 108 Q CA -0.740 55.196 55.803 0.221 0.000 0.895 108 Q CB 1.248 30.058 28.738 0.119 0.000 1.220 108 Q HN 0.129 nan 8.270 nan 0.000 0.439 109 L N 3.741 125.121 121.223 0.261 0.000 2.397 109 L HA 0.422 4.762 4.340 -0.000 0.000 0.271 109 L C -0.988 175.852 176.870 -0.048 0.000 1.148 109 L CA 0.065 54.877 54.840 -0.048 0.000 0.825 109 L CB 1.196 43.221 42.059 -0.056 0.000 1.117 109 L HN 0.585 nan 8.230 nan 0.000 0.456 110 V N 6.605 126.445 119.914 -0.124 0.000 2.502 110 V HA 0.267 4.387 4.120 -0.000 0.000 0.261 110 V C -1.742 174.347 176.094 -0.010 0.000 0.996 110 V CA -0.434 61.837 62.300 -0.049 0.000 1.095 110 V CB 0.721 32.507 31.823 -0.062 0.000 1.325 110 V HN 0.821 nan 8.190 nan 0.000 0.574 111 P HA 0.076 nan 4.420 nan 0.000 0.245 111 P C 0.727 178.126 177.300 0.164 0.000 1.206 111 P CA 0.305 63.462 63.100 0.096 0.000 0.781 111 P CB 0.857 32.578 31.700 0.035 0.000 0.994 112 R N 0.399 120.976 120.500 0.129 0.000 2.603 112 R HA 0.443 4.783 4.340 -0.000 0.000 0.225 112 R C 0.649 177.096 176.300 0.245 0.000 1.300 112 R CA -0.359 55.814 56.100 0.122 0.000 1.075 112 R CB 0.172 30.503 30.300 0.051 0.000 1.663 112 R HN -0.029 nan 8.270 nan 0.000 0.546 113 S N -0.390 115.402 115.700 0.154 0.000 2.646 113 S HA 0.613 5.082 4.470 -0.000 0.000 0.276 113 S C -0.147 174.505 174.600 0.086 0.000 1.222 113 S CA -0.795 57.515 58.200 0.184 0.000 1.014 113 S CB 1.301 64.554 63.200 0.088 0.000 0.991 113 S HN 0.415 nan 8.310 nan 0.000 0.533 114 V N -1.293 118.654 119.914 0.055 0.000 3.102 114 V HA 0.709 4.829 4.120 -0.000 0.000 0.312 114 V C -0.528 175.550 176.094 -0.026 0.000 1.135 114 V CA -1.365 60.934 62.300 -0.003 0.000 1.022 114 V CB 1.779 33.578 31.823 -0.040 0.000 1.056 114 V HN 1.094 nan 8.190 nan 0.000 0.436 115 R N 2.041 122.515 120.500 -0.044 0.000 2.265 115 R HA 0.625 4.965 4.340 -0.000 0.000 0.328 115 R C -1.787 174.468 176.300 -0.075 0.000 0.969 115 R CA -0.661 55.409 56.100 -0.049 0.000 0.832 115 R CB 1.258 31.538 30.300 -0.032 0.000 1.139 115 R HN 0.696 nan 8.270 nan 0.000 0.457 116 L N 3.331 124.504 121.223 -0.084 0.000 2.307 116 L HA 0.391 4.731 4.340 -0.000 0.000 0.282 116 L C -0.225 176.633 176.870 -0.020 0.000 1.051 116 L CA -0.384 54.423 54.840 -0.055 0.000 0.804 116 L CB 1.467 43.500 42.059 -0.043 0.000 1.197 116 L HN 0.628 nan 8.230 nan 0.000 0.431 117 E N 2.066 122.327 120.200 0.103 0.000 2.156 117 E HA 0.432 4.782 4.350 -0.000 0.000 0.279 117 E C -0.435 176.109 176.600 -0.093 0.000 0.965 117 E CA -0.350 56.043 56.400 -0.012 0.000 0.789 117 E CB 1.009 30.722 29.700 0.021 0.000 1.098 117 E HN 0.368 nan 8.360 nan 0.000 0.397 118 I N 3.002 123.450 120.570 -0.204 0.000 2.815 118 I HA 0.021 4.191 4.170 -0.000 0.000 0.291 118 I C 1.591 177.594 176.117 -0.190 0.000 1.209 118 I CA 1.715 62.860 61.300 -0.257 0.000 1.431 118 I CB 0.471 38.294 38.000 -0.295 0.000 1.351 118 I HN 0.904 nan 8.210 nan 0.000 0.585 119 G N 3.974 112.637 108.800 -0.230 0.000 2.284 119 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.247 119 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.247 119 G C 0.429 175.240 174.900 -0.147 0.000 1.012 119 G CA -0.026 44.972 45.100 -0.170 0.000 0.618 119 G HN 0.483 nan 8.290 nan 0.000 0.521 120 K N 1.106 121.375 120.400 -0.219 0.000 2.126 120 K HA 0.687 5.007 4.320 -0.000 0.000 0.257 120 K C 0.251 176.582 176.600 -0.449 0.000 1.007 120 K CA 0.385 56.487 56.287 -0.307 0.000 0.928 120 K CB 1.167 33.448 32.500 -0.364 0.000 1.013 120 K HN 0.348 nan 8.250 nan 0.000 0.473 121 T N 1.996 116.214 114.554 -0.559 0.000 2.881 121 T HA 0.611 4.961 4.350 -0.000 0.000 0.290 121 T C -1.415 172.823 174.700 -0.770 0.000 1.000 121 T CA -0.559 61.262 62.100 -0.465 0.000 0.978 121 T CB 0.119 69.010 68.868 0.038 0.000 0.997 121 T HN 0.336 nan 8.240 nan 0.000 0.443 122 Y N 2.102 122.068 120.300 -0.555 0.000 2.562 122 Y HA 0.536 5.086 4.550 -0.000 0.000 0.343 122 Y C 0.053 175.741 175.900 -0.353 0.000 1.025 122 Y CA -1.180 56.634 58.100 -0.477 0.000 1.082 122 Y CB 1.455 39.542 38.460 -0.622 0.000 1.264 122 Y HN 0.759 nan 8.280 nan 0.000 0.478 123 D N 0.621 121.033 120.400 0.021 0.000 2.177 123 D HA 0.436 5.076 4.640 -0.000 0.000 0.247 123 D C -0.900 175.513 176.300 0.189 0.000 1.063 123 D CA -0.474 53.525 54.000 -0.002 0.000 0.867 123 D CB 0.715 41.457 40.800 -0.097 0.000 1.168 123 D HN 0.325 nan 8.370 nan 0.000 0.445 124 F N -0.359 119.712 119.950 0.201 0.000 2.572 124 F HA 0.786 5.313 4.527 -0.000 0.000 0.342 124 F C -0.307 175.567 175.800 0.123 0.000 1.064 124 F CA -1.482 56.642 58.000 0.207 0.000 1.008 124 F CB 1.515 40.682 39.000 0.279 0.000 1.303 124 F HN 0.357 nan 8.300 nan 0.000 0.492 125 R N 1.157 121.862 120.500 0.342 0.000 2.522 125 R HA 0.692 5.032 4.340 -0.000 0.000 0.283 125 R C -2.415 174.065 176.300 0.300 0.000 1.074 125 R CA -0.681 55.565 56.100 0.244 0.000 0.925 125 R CB 2.327 32.757 30.300 0.217 0.000 1.205 125 R HN 0.747 nan 8.270 nan 0.000 0.436 126 V N 4.419 124.462 119.914 0.215 0.000 2.531 126 V HA 0.473 4.593 4.120 -0.000 0.000 0.301 126 V C -0.644 175.496 176.094 0.077 0.000 1.034 126 V CA -0.824 61.541 62.300 0.109 0.000 0.865 126 V CB 1.982 33.838 31.823 0.056 0.000 0.995 126 V HN 0.463 nan 8.190 nan 0.000 0.424 127 V N 6.498 126.451 119.914 0.066 0.000 2.378 127 V HA 0.498 4.618 4.120 -0.000 0.000 0.288 127 V C -0.238 175.898 176.094 0.070 0.000 1.016 127 V CA -0.335 62.014 62.300 0.081 0.000 0.840 127 V CB 1.514 33.408 31.823 0.119 0.000 0.994 127 V HN 0.634 nan 8.190 nan 0.000 0.431 128 L N 4.640 125.908 121.223 0.075 0.000 2.331 128 L HA 0.653 4.993 4.340 -0.000 0.000 0.275 128 L C -0.053 176.971 176.870 0.258 0.000 1.022 128 L CA -0.693 54.224 54.840 0.127 0.000 0.812 128 L CB 1.933 43.964 42.059 -0.048 0.000 1.257 128 L HN 0.465 nan 8.230 nan 0.000 0.435 129 K N 1.620 122.221 120.400 0.334 0.000 2.244 129 K HA 0.654 4.974 4.320 -0.000 0.000 0.260 129 K C -0.757 176.073 176.600 0.384 0.000 0.951 129 K CA -0.584 55.915 56.287 0.353 0.000 0.826 129 K CB 2.029 34.732 32.500 0.339 0.000 1.108 129 K HN 0.725 nan 8.250 nan 0.000 0.433 130 A N 3.459 126.445 122.820 0.276 0.000 2.409 130 A HA 0.219 4.539 4.320 -0.000 0.000 0.262 130 A C 0.643 178.141 177.584 -0.143 0.000 1.113 130 A CA -0.086 51.869 52.037 -0.137 0.000 0.790 130 A CB 0.548 19.483 19.000 -0.107 0.000 1.046 130 A HN 1.029 nan 8.150 nan 0.000 0.496 131 R N 1.029 121.253 120.500 -0.460 0.000 2.470 131 R HA 0.192 4.532 4.340 -0.000 0.000 0.210 131 R C 0.232 176.290 176.300 -0.402 0.000 0.873 131 R CA 0.109 55.815 56.100 -0.658 0.000 1.015 131 R CB 0.504 30.098 30.300 -1.176 0.000 1.348 131 R HN 0.758 nan 8.270 nan 0.000 0.650 132 R N 1.180 121.480 120.500 -0.334 0.000 2.621 132 R HA 0.434 4.774 4.340 -0.000 0.000 0.292 132 R C -2.731 173.660 176.300 0.152 0.000 0.969 132 R CA -2.225 53.813 56.100 -0.103 0.000 0.887 132 R CB 2.293 32.503 30.300 -0.150 0.000 1.180 132 R HN -0.003 nan 8.270 nan 0.000 0.450 133 P HA 0.261 nan 4.420 nan 0.000 0.271 133 P C -0.541 176.871 177.300 0.187 0.000 1.218 133 P CA 0.081 63.263 63.100 0.137 0.000 0.780 133 P CB 1.035 32.775 31.700 0.067 0.000 0.901 134 G N 1.239 109.976 108.800 -0.106 0.000 2.351 134 G HA2 0.119 4.079 3.960 -0.000 0.000 0.353 134 G HA3 0.119 4.079 3.960 -0.000 0.000 0.353 134 G C -2.126 172.160 174.900 -1.025 0.000 1.358 134 G CA -0.838 43.860 45.100 -0.670 0.000 0.995 134 G HN 0.393 nan 8.290 nan 0.000 0.611 135 D N 0.344 120.134 120.400 -1.015 0.000 2.329 135 D HA 0.507 5.147 4.640 -0.000 0.000 0.232 135 D C -0.569 175.526 176.300 -0.343 0.000 1.088 135 D CA 0.289 53.980 54.000 -0.515 0.000 0.835 135 D CB 0.616 41.243 40.800 -0.288 0.000 1.078 135 D HN 0.442 nan 8.370 nan 0.000 0.495 136 W N 0.371 121.915 121.300 0.408 0.000 2.606 136 W HA 0.278 4.938 4.660 0.000 0.000 0.332 136 W C 0.648 177.253 176.519 0.144 0.000 1.052 136 W CA -1.096 56.429 57.345 0.300 0.000 1.223 136 W CB 1.341 30.967 29.460 0.276 0.000 1.383 136 W HN 0.264 nan 8.180 nan 0.000 0.524 137 H N 2.517 121.432 119.070 -0.257 0.000 2.820 137 H HA 0.374 4.930 4.556 -0.000 0.000 0.278 137 H C -0.818 174.248 175.328 -0.437 0.000 1.142 137 H CA -0.405 55.115 56.048 -0.879 0.000 1.346 137 H CB 0.646 29.568 29.762 -1.401 0.000 1.438 137 H HN 0.149 nan 8.280 nan 0.000 0.473 138 V N 6.433 126.079 119.914 -0.447 0.000 2.398 138 V HA 0.204 4.324 4.120 -0.000 0.000 0.286 138 V C 0.208 176.015 176.094 -0.478 0.000 1.026 138 V CA -0.730 61.379 62.300 -0.317 0.000 0.868 138 V CB 1.286 32.967 31.823 -0.237 0.000 0.982 138 V HN 0.790 nan 8.190 nan 0.000 0.443 139 H N 1.905 120.801 119.070 -0.289 0.000 2.651 139 H HA 0.520 5.076 4.556 -0.000 0.000 0.353 139 H C -0.540 174.602 175.328 -0.310 0.000 1.178 139 H CA -0.642 55.222 56.048 -0.306 0.000 1.224 139 H CB 2.391 31.969 29.762 -0.305 0.000 1.702 139 H HN 0.568 nan 8.280 nan 0.000 0.550 140 T N 2.962 117.325 114.554 -0.317 0.000 2.770 140 T HA 0.341 4.691 4.350 -0.000 0.000 0.297 140 T C 0.806 175.095 174.700 -0.686 0.000 0.997 140 T CA -0.750 61.024 62.100 -0.543 0.000 0.949 140 T CB 0.372 68.728 68.868 -0.853 0.000 0.941 140 T HN 0.426 nan 8.240 nan 0.000 0.457 141 M N 1.600 120.972 119.600 -0.381 0.000 2.768 141 M HA 0.939 5.419 4.480 -0.000 0.000 0.274 141 M C -0.950 175.300 176.300 -0.083 0.000 1.076 141 M CA -1.299 53.873 55.300 -0.214 0.000 0.928 141 M CB 1.499 34.019 32.600 -0.133 0.000 1.596 141 M HN 0.467 nan 8.290 nan 0.000 0.546 142 M N 1.993 121.605 119.600 0.019 0.000 2.355 142 M HA 0.411 4.890 4.480 -0.000 0.000 0.232 142 M C -2.431 173.906 176.300 0.061 0.000 0.988 142 M CA -0.250 55.059 55.300 0.014 0.000 0.931 142 M CB 1.497 34.132 32.600 0.058 0.000 2.294 142 M HN 0.702 nan 8.290 nan 0.000 0.459 143 N N 3.523 122.282 118.700 0.098 0.000 2.434 143 N HA 0.522 5.262 4.740 -0.000 0.000 0.272 143 N C -1.276 174.306 175.510 0.120 0.000 1.040 143 N CA -0.244 52.881 53.050 0.126 0.000 0.956 143 N CB 2.074 40.672 38.487 0.184 0.000 1.108 143 N HN 0.523 nan 8.380 nan 0.000 0.481 144 V N 3.488 123.467 119.914 0.109 0.000 2.313 144 V HA 0.039 4.159 4.120 -0.000 0.000 0.278 144 V C 1.020 177.172 176.094 0.097 0.000 1.017 144 V CA -0.351 62.025 62.300 0.126 0.000 0.823 144 V CB 1.052 33.003 31.823 0.213 0.000 1.010 144 V HN 0.722 nan 8.190 nan 0.000 0.443 145 Q N 4.924 124.769 119.800 0.075 0.000 2.641 145 Q HA -0.276 4.064 4.340 -0.000 0.000 0.457 145 Q C 0.880 176.912 176.000 0.052 0.000 0.650 145 Q CA 2.460 58.297 55.803 0.056 0.000 1.012 145 Q CB -1.463 27.310 28.738 0.059 0.000 1.669 145 Q HN 1.046 nan 8.270 nan 0.000 1.079 146 G N -0.450 108.393 108.800 0.071 0.000 2.502 146 G HA2 0.600 4.560 3.960 -0.000 0.000 0.311 146 G HA3 0.600 4.560 3.960 -0.000 0.000 0.311 146 G C -0.181 174.760 174.900 0.069 0.000 1.270 146 G CA 0.382 45.519 45.100 0.061 0.000 0.948 146 G HN 1.320 nan 8.290 nan 0.000 0.487 147 G N 0.543 109.369 108.800 0.043 0.000 3.284 147 G HA2 0.529 4.489 3.960 -0.000 0.000 0.665 147 G HA3 0.529 4.489 3.960 -0.000 0.000 0.665 147 G C 0.591 175.507 174.900 0.026 0.000 0.894 147 G CA 0.321 45.437 45.100 0.027 0.000 0.838 147 G HN 2.680 nan 8.290 nan 0.000 0.501 148 G N 2.652 111.457 108.800 0.009 0.000 3.355 148 G HA2 0.375 4.335 3.960 -0.000 0.000 0.686 148 G HA3 0.375 4.335 3.960 -0.000 0.000 0.686 148 G C -2.313 172.596 174.900 0.016 0.000 1.097 148 G CA -0.054 45.043 45.100 -0.004 0.000 0.881 148 G HN 1.200 nan 8.290 nan 0.000 0.550 149 P HA 0.542 nan 4.420 nan 0.000 0.297 149 P C 0.035 177.340 177.300 0.007 0.000 1.342 149 P CA -0.482 62.624 63.100 0.009 0.000 0.801 149 P CB 0.892 32.584 31.700 -0.013 0.000 0.920 150 I N 4.925 125.525 120.570 0.051 0.000 2.287 150 I HA 0.275 4.445 4.170 -0.000 0.000 0.290 150 I C 0.295 176.506 176.117 0.156 0.000 1.069 150 I CA -0.336 61.022 61.300 0.097 0.000 1.237 150 I CB 0.305 38.386 38.000 0.134 0.000 1.418 150 I HN 0.148 nan 8.210 nan 0.000 0.481 151 I N 6.268 126.879 120.570 0.069 0.000 2.291 151 I HA 0.282 4.452 4.170 -0.000 0.000 0.290 151 I C 1.235 177.305 176.117 -0.079 0.000 1.050 151 I CA -0.257 61.000 61.300 -0.071 0.000 1.245 151 I CB 0.852 38.731 38.000 -0.201 0.000 1.405 151 I HN 0.568 nan 8.210 nan 0.000 0.478 152 G N 7.918 116.474 108.800 -0.407 0.000 2.590 152 G HA2 0.189 4.149 3.960 -0.000 0.000 0.276 152 G HA3 0.189 4.149 3.960 -0.000 0.000 0.276 152 G C -2.459 172.299 174.900 -0.237 0.000 1.337 152 G CA -0.686 43.916 45.100 -0.830 0.000 1.030 152 G HN 0.352 nan 8.290 nan 0.000 0.534 153 P HA 0.243 nan 4.420 nan 0.000 0.271 153 P C -0.003 177.138 177.300 -0.266 0.000 1.218 153 P CA 0.083 63.127 63.100 -0.092 0.000 0.780 153 P CB 1.069 32.739 31.700 -0.051 0.000 0.901 154 G N 1.610 110.057 108.800 -0.588 0.000 2.379 154 G HA2 0.518 4.478 3.960 -0.000 0.000 0.327 154 G HA3 0.518 4.478 3.960 -0.000 0.000 0.327 154 G C -1.014 173.204 174.900 -1.136 0.000 1.145 154 G CA -0.558 43.669 45.100 -1.454 0.000 0.905 154 G HN 0.496 nan 8.290 nan 0.000 0.466 155 K N 1.466 121.257 120.400 -1.015 0.000 2.259 155 K HA 0.420 4.740 4.320 -0.000 0.000 0.252 155 K C -1.156 175.138 176.600 -0.511 0.000 0.936 155 K CA -0.972 54.815 56.287 -0.834 0.000 0.810 155 K CB 1.487 33.125 32.500 -1.436 0.000 1.143 155 K HN 0.497 nan 8.250 nan 0.000 0.427 156 W N 5.175 126.436 121.300 -0.065 0.000 2.345 156 W HA 0.351 5.011 4.660 0.000 0.000 0.308 156 W C -0.257 176.225 176.519 -0.061 0.000 1.273 156 W CA -0.428 56.941 57.345 0.039 0.000 1.243 156 W CB 0.508 29.968 29.460 0.000 0.000 1.260 156 W HN 0.259 nan 8.180 nan 0.000 0.509 157 I N 3.315 124.048 120.570 0.272 0.000 2.509 157 I HA 0.337 4.507 4.170 -0.000 0.000 0.293 157 I C -0.125 176.173 176.117 0.301 0.000 1.020 157 I CA -0.918 60.528 61.300 0.243 0.000 1.088 157 I CB 1.993 40.139 38.000 0.243 0.000 1.267 157 I HN 0.144 nan 8.210 nan 0.000 0.430 158 T N 5.122 119.790 114.554 0.190 0.000 2.794 158 T HA 0.449 4.799 4.350 -0.000 0.000 0.280 158 T C -0.240 174.529 174.700 0.114 0.000 0.987 158 T CA -0.457 61.692 62.100 0.081 0.000 0.993 158 T CB 1.819 70.687 68.868 0.000 0.000 0.939 158 T HN 0.191 nan 8.240 nan 0.000 0.449 159 V N 4.377 124.331 119.914 0.068 0.000 2.370 159 V HA 0.332 4.452 4.120 -0.000 0.000 0.283 159 V C 0.149 176.259 176.094 0.026 0.000 1.023 159 V CA -0.789 61.550 62.300 0.065 0.000 0.857 159 V CB 1.282 33.127 31.823 0.038 0.000 0.985 159 V HN 0.837 nan 8.190 nan 0.000 0.443 160 E N 3.282 123.501 120.200 0.031 0.000 2.204 160 E HA 0.782 5.132 4.350 -0.000 0.000 0.276 160 E C 0.375 176.994 176.600 0.031 0.000 0.974 160 E CA -0.180 56.231 56.400 0.019 0.000 0.815 160 E CB 2.405 32.116 29.700 0.018 0.000 1.119 160 E HN 0.931 nan 8.360 nan 0.000 0.393 161 G N 1.198 110.014 108.800 0.027 0.000 2.302 161 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.276 161 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.276 161 G C -1.135 173.788 174.900 0.038 0.000 1.316 161 G CA -0.841 44.280 45.100 0.036 0.000 0.988 161 G HN 0.397 nan 8.290 nan 0.000 0.479 162 S N -0.364 115.365 115.700 0.047 0.000 2.500 162 S HA 0.480 4.950 4.470 -0.000 0.000 0.301 162 S C 1.126 175.765 174.600 0.065 0.000 1.092 162 S CA 0.145 58.374 58.200 0.048 0.000 1.030 162 S CB 1.661 64.887 63.200 0.044 0.000 1.031 162 S HN 0.803 nan 8.310 nan 0.000 0.483 163 M N 2.900 122.534 119.600 0.056 0.000 2.213 163 M HA -0.129 4.351 4.480 -0.000 0.000 0.263 163 M C 1.848 178.214 176.300 0.109 0.000 1.062 163 M CA 1.735 57.074 55.300 0.065 0.000 1.105 163 M CB -0.283 32.333 32.600 0.026 0.000 1.385 163 M HN 0.763 nan 8.290 nan 0.000 0.417 164 S N -0.195 115.554 115.700 0.082 0.000 2.465 164 S HA -0.134 4.336 4.470 -0.000 0.000 0.241 164 S C 1.545 176.197 174.600 0.087 0.000 1.000 164 S CA 1.133 59.381 58.200 0.079 0.000 0.964 164 S CB -0.572 62.661 63.200 0.055 0.000 0.763 164 S HN 0.547 nan 8.310 nan 0.000 0.512 165 E N 0.657 120.916 120.200 0.099 0.000 2.216 165 E HA 0.207 4.557 4.350 -0.000 0.000 0.192 165 E C 0.234 176.898 176.600 0.106 0.000 0.988 165 E CA -0.115 56.338 56.400 0.088 0.000 0.834 165 E CB -0.237 29.511 29.700 0.080 0.000 0.772 165 E HN 0.655 nan 8.360 nan 0.000 0.479 166 F N 2.790 122.746 119.950 0.010 0.000 2.538 166 F HA 0.062 4.589 4.527 -0.000 0.000 0.371 166 F C 0.347 176.156 175.800 0.014 0.000 1.087 166 F CA 0.140 58.145 58.000 0.008 0.000 1.250 166 F CB 0.412 39.411 39.000 -0.003 0.000 1.110 166 F HN -0.298 nan 8.300 nan 0.000 0.570 167 R N 4.342 124.293 120.500 -0.915 0.000 2.628 167 R HA 0.250 4.590 4.340 -0.000 0.000 0.288 167 R C -1.399 174.350 176.300 -0.918 0.000 0.980 167 R CA -1.024 54.687 56.100 -0.650 0.000 0.891 167 R CB 1.588 31.701 30.300 -0.312 0.000 1.188 167 R HN 0.562 nan 8.270 nan 0.000 0.450 168 N N 3.073 121.475 118.700 -0.495 0.000 2.746 168 N HA 0.270 5.010 4.740 -0.000 0.000 0.250 168 N C -2.634 172.803 175.510 -0.122 0.000 1.146 168 N CA -1.900 50.993 53.050 -0.261 0.000 0.828 168 N CB 1.219 39.695 38.487 -0.019 0.000 1.158 168 N HN 0.226 nan 8.380 nan 0.000 0.519 169 P HA 0.235 nan 4.420 nan 0.000 0.282 169 P C -0.891 176.370 177.300 -0.065 0.000 1.249 169 P CA -0.462 62.589 63.100 -0.081 0.000 0.806 169 P CB 1.929 33.585 31.700 -0.074 0.000 0.984 170 V N 2.145 122.014 119.914 -0.074 0.000 2.851 170 V HA 0.445 4.565 4.120 -0.000 0.000 0.307 170 V C -1.033 175.014 176.094 -0.079 0.000 1.129 170 V CA -0.320 61.937 62.300 -0.072 0.000 0.932 170 V CB 2.328 34.102 31.823 -0.082 0.000 1.024 170 V HN 0.533 nan 8.190 nan 0.000 0.426 171 T N 4.867 119.389 114.554 -0.054 0.000 2.799 171 T HA 0.558 4.908 4.350 -0.000 0.000 0.286 171 T C 0.163 174.836 174.700 -0.045 0.000 0.973 171 T CA 0.118 62.191 62.100 -0.045 0.000 1.035 171 T CB 1.096 69.949 68.868 -0.025 0.000 0.932 171 T HN 1.083 nan 8.240 nan 0.000 0.469 172 T N 0.715 115.242 114.554 -0.045 0.000 2.918 172 T HA 0.416 4.766 4.350 -0.000 0.000 0.283 172 T C 1.332 176.026 174.700 -0.010 0.000 1.001 172 T CA -0.980 61.100 62.100 -0.033 0.000 1.041 172 T CB 0.533 69.384 68.868 -0.029 0.000 1.028 172 T HN 0.417 nan 8.240 nan 0.000 0.511 173 L N 0.745 121.967 121.223 -0.002 0.000 2.642 173 L HA 0.024 4.364 4.340 -0.000 0.000 0.236 173 L C 2.092 178.968 176.870 0.010 0.000 1.169 173 L CA 0.779 55.622 54.840 0.005 0.000 0.851 173 L CB -0.529 41.534 42.059 0.007 0.000 0.968 173 L HN 0.850 nan 8.230 nan 0.000 0.453 174 T N -1.353 113.210 114.554 0.014 0.000 3.132 174 T HA 0.322 4.672 4.350 -0.000 0.000 0.274 174 T C 1.232 175.941 174.700 0.016 0.000 1.011 174 T CA 0.632 62.745 62.100 0.022 0.000 0.899 174 T CB 0.576 69.470 68.868 0.044 0.000 1.089 174 T HN 0.566 nan 8.240 nan 0.000 0.543 175 G N 1.987 110.791 108.800 0.008 0.000 2.527 175 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.218 175 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.218 175 G C 0.157 175.059 174.900 0.003 0.000 1.177 175 G CA 0.018 45.121 45.100 0.005 0.000 0.695 175 G HN 0.640 nan 8.290 nan 0.000 0.517 176 Q N 0.714 120.520 119.800 0.010 0.000 2.394 176 Q HA 0.636 4.976 4.340 -0.000 0.000 0.248 176 Q C -0.600 175.392 176.000 -0.013 0.000 0.992 176 Q CA 0.473 56.284 55.803 0.012 0.000 0.888 176 Q CB 1.000 29.765 28.738 0.045 0.000 1.257 176 Q HN 0.114 nan 8.270 nan 0.000 0.462 177 T N 1.928 116.474 114.554 -0.013 0.000 2.864 177 T HA 0.484 4.834 4.350 -0.000 0.000 0.310 177 T C -0.799 173.882 174.700 -0.032 0.000 1.040 177 T CA -0.653 61.427 62.100 -0.033 0.000 0.977 177 T CB 0.752 69.607 68.868 -0.021 0.000 0.976 177 T HN 0.539 nan 8.240 nan 0.000 0.459 178 V N 0.972 120.836 119.914 -0.083 0.000 3.019 178 V HA 0.771 4.891 4.120 -0.000 0.000 0.317 178 V C -0.662 175.400 176.094 -0.053 0.000 1.094 178 V CA -1.057 61.203 62.300 -0.066 0.000 1.000 178 V CB 2.224 33.893 31.823 -0.256 0.000 1.060 178 V HN 0.591 nan 8.190 nan 0.000 0.443 179 D N 1.729 122.145 120.400 0.026 0.000 2.427 179 D HA 0.307 4.947 4.640 -0.000 0.000 0.226 179 D C 0.745 177.090 176.300 0.076 0.000 1.076 179 D CA -0.429 53.583 54.000 0.020 0.000 0.849 179 D CB 1.589 42.401 40.800 0.021 0.000 1.052 179 D HN 0.456 nan 8.370 nan 0.000 0.515 180 L N 3.569 124.816 121.223 0.039 0.000 2.189 180 L HA -0.134 4.206 4.340 -0.000 0.000 0.214 180 L C 2.073 179.019 176.870 0.127 0.000 1.097 180 L CA 1.388 56.280 54.840 0.086 0.000 0.764 180 L CB -0.512 41.581 42.059 0.055 0.000 0.900 180 L HN 0.537 nan 8.230 nan 0.000 0.436 181 E N -0.089 120.188 120.200 0.128 0.000 2.267 181 E HA -0.174 4.176 4.350 -0.000 0.000 0.197 181 E C 1.200 177.870 176.600 0.116 0.000 0.998 181 E CA 1.374 57.865 56.400 0.151 0.000 0.830 181 E CB -0.069 29.744 29.700 0.188 0.000 0.751 181 E HN 0.835 nan 8.360 nan 0.000 0.491 182 N N -2.352 116.419 118.700 0.120 0.000 1.986 182 N HA -0.081 4.659 4.740 -0.000 0.000 0.227 182 N C 0.204 175.785 175.510 0.118 0.000 1.387 182 N CA -0.299 52.810 53.050 0.097 0.000 0.810 182 N CB -0.196 38.345 38.487 0.089 0.000 1.140 182 N HN -0.048 nan 8.380 nan 0.000 0.504 183 Y N 3.020 123.333 120.300 0.021 0.000 2.805 183 Y HA -0.123 4.427 4.550 -0.000 0.000 0.337 183 Y C 1.255 177.160 175.900 0.009 0.000 1.252 183 Y CA 1.297 59.411 58.100 0.022 0.000 1.515 183 Y CB 0.324 38.796 38.460 0.020 0.000 1.305 183 Y HN 0.292 nan 8.280 nan 0.000 0.600 184 N N 1.634 119.988 118.700 -0.577 0.000 2.815 184 N HA -0.319 4.421 4.740 -0.000 0.000 0.247 184 N C 1.061 176.449 175.510 -0.204 0.000 1.030 184 N CA 1.573 54.331 53.050 -0.487 0.000 0.881 184 N CB -1.054 37.085 38.487 -0.581 0.000 1.134 184 N HN 0.905 nan 8.380 nan 0.000 0.582 185 E N -0.754 119.365 120.200 -0.135 0.000 2.031 185 E HA -0.091 4.259 4.350 -0.000 0.000 0.193 185 E C 1.917 178.428 176.600 -0.148 0.000 0.994 185 E CA 1.390 57.692 56.400 -0.164 0.000 0.800 185 E CB -0.575 29.081 29.700 -0.073 0.000 0.752 185 E HN 0.532 nan 8.360 nan 0.000 0.447 186 G N 0.885 109.697 108.800 0.019 0.000 2.402 186 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 186 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 186 G C 1.436 176.430 174.900 0.155 0.000 1.162 186 G CA 0.999 46.193 45.100 0.157 0.000 0.777 186 G HN 0.246 nan 8.290 nan 0.000 0.539 187 N N 0.433 119.173 118.700 0.067 0.000 2.069 187 N HA -0.124 4.616 4.740 -0.000 0.000 0.191 187 N C 2.223 177.892 175.510 0.266 0.000 1.031 187 N CA 2.208 55.330 53.050 0.119 0.000 0.852 187 N CB -0.617 37.908 38.487 0.063 0.000 1.018 187 N HN 0.201 nan 8.380 nan 0.000 0.423 188 T N -0.085 114.558 114.554 0.148 0.000 2.635 188 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 188 T C 1.325 176.221 174.700 0.328 0.000 1.040 188 T CA 1.548 63.762 62.100 0.190 0.000 1.156 188 T CB -0.605 68.221 68.868 -0.071 0.000 0.863 188 T HN 0.217 nan 8.240 nan 0.000 0.430 189 Y N 0.777 121.199 120.300 0.203 0.000 2.014 189 Y HA -0.152 4.398 4.550 -0.000 0.000 0.272 189 Y C 2.195 178.240 175.900 0.243 0.000 1.164 189 Y CA 0.665 58.873 58.100 0.181 0.000 1.114 189 Y CB -1.463 37.056 38.460 0.099 0.000 0.961 189 Y HN 0.202 nan 8.280 nan 0.000 0.489 190 F N -0.858 119.208 119.950 0.193 0.000 2.045 190 F HA -0.361 4.166 4.527 -0.000 0.000 0.297 190 F C 2.053 177.837 175.800 -0.027 0.000 1.114 190 F CA 1.969 59.944 58.000 -0.041 0.000 1.207 190 F CB -1.029 37.787 39.000 -0.307 0.000 0.964 190 F HN 0.112 nan 8.300 nan 0.000 0.486 191 W N -0.535 121.184 121.300 0.699 0.000 2.338 191 W HA -0.195 4.465 4.660 -0.000 0.000 0.304 191 W C 2.697 179.491 176.519 0.459 0.000 1.212 191 W CA 1.783 59.474 57.345 0.577 0.000 1.264 191 W CB -0.862 28.885 29.460 0.478 0.000 1.142 191 W HN 0.144 nan 8.180 nan 0.000 0.512 192 H N -0.794 118.629 119.070 0.588 0.000 2.321 192 H HA -0.105 4.450 4.556 -0.000 0.000 0.300 192 H C 2.234 177.787 175.328 0.374 0.000 1.087 192 H CA 2.222 58.556 56.048 0.477 0.000 1.319 192 H CB -0.734 29.247 29.762 0.365 0.000 1.379 192 H HN 0.092 nan 8.280 nan 0.000 0.501 193 A N 0.382 123.388 122.820 0.310 0.000 1.858 193 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 193 A C 2.240 179.871 177.584 0.078 0.000 1.190 193 A CA 1.626 53.740 52.037 0.128 0.000 0.617 193 A CB -1.187 17.791 19.000 -0.037 0.000 0.827 193 A HN 0.488 nan 8.150 nan 0.000 0.443 194 F N -0.838 118.942 119.950 -0.285 0.000 2.091 194 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 194 F C 2.049 177.730 175.800 -0.198 0.000 1.103 194 F CA 2.176 59.907 58.000 -0.447 0.000 1.228 194 F CB -0.392 38.125 39.000 -0.805 0.000 0.984 194 F HN 0.416 nan 8.300 nan 0.000 0.477 195 W N -1.077 120.391 121.300 0.279 0.000 2.418 195 W HA -0.113 4.547 4.660 -0.000 0.000 0.292 195 W C 2.390 178.954 176.519 0.075 0.000 1.213 195 W CA 0.868 58.308 57.345 0.158 0.000 1.283 195 W CB -0.865 28.740 29.460 0.242 0.000 1.119 195 W HN 0.067 nan 8.180 nan 0.000 0.542 196 F N 1.189 121.291 119.950 0.253 0.000 2.095 196 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 196 F C 2.397 178.251 175.800 0.090 0.000 1.104 196 F CA 2.213 60.315 58.000 0.170 0.000 1.232 196 F CB -0.743 38.349 39.000 0.154 0.000 0.987 196 F HN -0.132 nan 8.300 nan 0.000 0.475 197 A N 0.599 123.538 122.820 0.200 0.000 1.892 197 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 197 A C 2.248 179.830 177.584 -0.005 0.000 1.188 197 A CA 2.192 54.261 52.037 0.052 0.000 0.631 197 A CB -1.285 17.648 19.000 -0.110 0.000 0.822 197 A HN 0.492 nan 8.150 nan 0.000 0.447 198 I N -0.421 120.100 120.570 -0.081 0.000 2.127 198 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 198 I C 2.776 179.027 176.117 0.222 0.000 1.075 198 I CA 1.319 62.660 61.300 0.068 0.000 1.334 198 I CB -0.784 37.254 38.000 0.064 0.000 1.040 198 I HN 0.417 nan 8.210 nan 0.000 0.405 199 G N 0.496 109.367 108.800 0.119 0.000 2.556 199 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 199 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 199 G C 1.652 176.585 174.900 0.055 0.000 1.156 199 G CA 1.422 46.547 45.100 0.042 0.000 0.766 199 G HN 0.279 nan 8.290 nan 0.000 0.583 200 V N 1.726 121.630 119.914 -0.016 0.000 2.220 200 V HA -0.164 3.956 4.120 -0.000 0.000 0.246 200 V C 3.356 179.531 176.094 0.136 0.000 1.049 200 V CA 2.295 64.624 62.300 0.048 0.000 1.003 200 V CB -1.325 30.553 31.823 0.092 0.000 0.634 200 V HN 0.540 nan 8.190 nan 0.000 0.444 201 A N 0.219 123.149 122.820 0.183 0.000 1.881 201 A HA -0.349 3.971 4.320 -0.000 0.000 0.219 201 A C 2.183 179.979 177.584 0.354 0.000 1.215 201 A CA 2.645 54.845 52.037 0.272 0.000 0.648 201 A CB -1.226 17.969 19.000 0.325 0.000 0.832 201 A HN 0.815 nan 8.150 nan 0.000 0.455 202 W N 0.512 121.879 121.300 0.110 0.000 2.335 202 W HA -0.216 4.444 4.660 -0.000 0.000 0.311 202 W C 1.902 178.496 176.519 0.125 0.000 1.213 202 W CA 2.063 59.300 57.345 -0.180 0.000 1.274 202 W CB -0.358 28.825 29.460 -0.462 0.000 1.148 202 W HN 0.374 nan 8.180 nan 0.000 0.498 203 I N 1.171 121.781 120.570 0.066 0.000 2.142 203 I HA -0.226 3.944 4.170 -0.000 0.000 0.240 203 I C 2.841 178.952 176.117 -0.010 0.000 1.078 203 I CA 1.686 62.959 61.300 -0.045 0.000 1.343 203 I CB -1.493 36.514 38.000 0.011 0.000 1.046 203 I HN 0.044 nan 8.210 nan 0.000 0.405 204 G N 0.291 109.114 108.800 0.039 0.000 2.547 204 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.221 204 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.221 204 G C 1.661 176.559 174.900 -0.004 0.000 1.140 204 G CA 1.308 46.426 45.100 0.029 0.000 0.760 204 G HN 0.484 nan 8.290 nan 0.000 0.583 205 Y N -0.041 120.176 120.300 -0.138 0.000 2.128 205 Y HA -0.208 4.342 4.550 -0.000 0.000 0.284 205 Y C 2.559 178.185 175.900 -0.457 0.000 1.154 205 Y CA 1.968 59.890 58.100 -0.295 0.000 1.149 205 Y CB -0.226 38.011 38.460 -0.371 0.000 0.976 205 Y HN 0.278 nan 8.280 nan 0.000 0.505 206 W N -0.145 120.839 121.300 -0.527 0.000 2.436 206 W HA -0.051 4.609 4.660 -0.000 0.000 0.284 206 W C 2.459 178.727 176.519 -0.418 0.000 1.225 206 W CA 1.321 58.312 57.345 -0.589 0.000 1.271 206 W CB -0.450 28.672 29.460 -0.563 0.000 1.114 206 W HN -0.086 nan 8.180 nan 0.000 0.559 207 S N -0.012 115.619 115.700 -0.114 0.000 2.603 207 S HA 0.000 4.470 4.470 -0.000 0.000 0.220 207 S C 1.776 176.301 174.600 -0.124 0.000 0.967 207 S CA 0.202 58.332 58.200 -0.117 0.000 0.920 207 S CB -0.137 63.013 63.200 -0.083 0.000 0.773 207 S HN 0.089 nan 8.310 nan 0.000 0.529 208 R N 2.317 122.715 120.500 -0.169 0.000 2.090 208 R HA 0.081 4.421 4.340 -0.000 0.000 0.228 208 R C 1.232 177.443 176.300 -0.149 0.000 1.110 208 R CA 0.744 56.755 56.100 -0.148 0.000 0.973 208 R CB -0.393 29.816 30.300 -0.152 0.000 0.869 208 R HN 0.490 nan 8.270 nan 0.000 0.440 209 R N 2.025 122.409 120.500 -0.194 0.000 2.649 209 R HA 0.247 4.587 4.340 -0.000 0.000 0.270 209 R C -2.285 173.943 176.300 -0.120 0.000 1.105 209 R CA -1.533 54.478 56.100 -0.149 0.000 1.193 209 R CB -1.058 29.143 30.300 -0.165 0.000 1.120 209 R HN -0.073 nan 8.270 nan 0.000 0.561 210 P HA 0.155 nan 4.420 nan 0.000 0.276 210 P C 0.395 177.612 177.300 -0.138 0.000 1.230 210 P CA -0.184 62.862 63.100 -0.089 0.000 0.776 210 P CB 0.796 32.465 31.700 -0.052 0.000 0.888 211 I N 1.013 121.455 120.570 -0.212 0.000 2.385 211 I HA -0.073 4.097 4.170 -0.000 0.000 0.244 211 I C 1.594 177.364 176.117 -0.577 0.000 1.089 211 I CA 1.240 62.249 61.300 -0.485 0.000 1.410 211 I CB -0.324 37.245 38.000 -0.718 0.000 1.117 211 I HN 0.211 nan 8.210 nan 0.000 0.429 212 F N 0.335 120.271 119.950 -0.023 0.000 2.453 212 F HA 0.264 4.791 4.527 -0.000 0.000 0.239 212 F C 2.199 177.987 175.800 -0.020 0.000 1.013 212 F CA -0.049 57.937 58.000 -0.023 0.000 1.025 212 F CB -0.482 38.505 39.000 -0.021 0.000 1.214 212 F HN -0.280 nan 8.300 nan 0.000 0.681 213 I N 1.624 122.318 120.570 0.206 0.000 2.151 213 I HA -0.219 3.951 4.170 -0.000 0.000 0.243 213 I C -0.682 175.470 176.117 0.059 0.000 1.080 213 I CA 1.399 62.762 61.300 0.105 0.000 1.339 213 I CB -2.077 35.966 38.000 0.070 0.000 1.039 213 I HN 0.168 nan 8.210 nan 0.000 0.409 214 P HA -0.166 nan 4.420 nan 0.000 0.215 214 P C 1.560 178.866 177.300 0.010 0.000 1.157 214 P CA 1.646 64.756 63.100 0.016 0.000 0.868 214 P CB -0.233 31.468 31.700 0.002 0.000 0.788 215 R N -0.523 119.979 120.500 0.003 0.000 2.081 215 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 215 R C 2.520 178.826 176.300 0.011 0.000 1.131 215 R CA 0.825 56.920 56.100 -0.008 0.000 0.960 215 R CB -1.152 29.121 30.300 -0.044 0.000 0.856 215 R HN 0.200 nan 8.270 nan 0.000 0.436 216 L N 1.295 122.541 121.223 0.039 0.000 2.012 216 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 216 L C 1.973 178.858 176.870 0.025 0.000 1.073 216 L CA 1.843 56.709 54.840 0.044 0.000 0.748 216 L CB -0.447 41.654 42.059 0.069 0.000 0.891 216 L HN 0.260 nan 8.230 nan 0.000 0.431 217 L N -1.102 120.134 121.223 0.022 0.000 2.109 217 L HA -0.212 4.128 4.340 -0.000 0.000 0.207 217 L C 2.614 179.489 176.870 0.009 0.000 1.086 217 L CA 0.881 55.729 54.840 0.014 0.000 0.760 217 L CB -0.360 41.707 42.059 0.013 0.000 0.910 217 L HN 0.268 nan 8.230 nan 0.000 0.437 218 M N -0.565 119.040 119.600 0.007 0.000 2.159 218 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 218 M C 2.075 178.377 176.300 0.004 0.000 1.063 218 M CA 1.564 56.867 55.300 0.004 0.000 1.110 218 M CB -0.137 32.464 32.600 0.002 0.000 1.374 218 M HN -0.039 nan 8.290 nan 0.000 0.411 219 V N 0.181 120.098 119.914 0.003 0.000 2.358 219 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 219 V C 1.692 177.789 176.094 0.004 0.000 1.047 219 V CA 1.775 64.076 62.300 0.002 0.000 1.035 219 V CB -0.740 31.084 31.823 0.001 0.000 0.658 219 V HN 0.442 nan 8.190 nan 0.000 0.452 220 D N 0.572 120.975 120.400 0.006 0.000 1.872 220 D HA 0.006 4.646 4.640 -0.000 0.000 0.274 220 D C 1.089 177.391 176.300 0.004 0.000 1.117 220 D CA 1.282 55.285 54.000 0.005 0.000 0.998 220 D CB -0.711 40.093 40.800 0.006 0.000 1.521 220 D HN 0.420 nan 8.370 nan 0.000 0.549 221 A N -0.249 122.573 122.820 0.004 0.000 2.561 221 A HA 0.438 4.758 4.320 -0.000 0.000 0.234 221 A C 1.081 178.667 177.584 0.003 0.000 1.055 221 A CA 0.636 52.675 52.037 0.003 0.000 0.756 221 A CB -0.783 18.219 19.000 0.003 0.000 0.986 221 A HN 0.648 nan 8.150 nan 0.000 0.505 222 G N 1.619 110.421 108.800 0.003 0.000 2.960 222 G HA2 0.025 3.985 3.960 -0.000 0.000 0.267 222 G HA3 0.025 3.985 3.960 -0.000 0.000 0.267 222 G C -0.072 174.830 174.900 0.004 0.000 1.492 222 G CA 0.251 45.353 45.100 0.003 0.000 0.953 222 G HN 1.875 nan 8.290 nan 0.000 0.555 223 R N 0.118 120.621 120.500 0.005 0.000 2.582 223 R HA 0.770 5.110 4.340 -0.000 0.000 0.271 223 R C 1.238 177.542 176.300 0.006 0.000 1.078 223 R CA 0.572 56.675 56.100 0.005 0.000 1.127 223 R CB -0.140 30.164 30.300 0.006 0.000 1.038 223 R HN 1.470 nan 8.270 nan 0.000 0.500 224 A N 1.493 124.316 122.820 0.005 0.000 2.582 224 A HA -0.082 4.238 4.320 -0.000 0.000 0.183 224 A C 1.075 178.666 177.584 0.011 0.000 1.414 224 A CA 1.337 53.377 52.037 0.004 0.000 0.708 224 A CB -1.202 17.797 19.000 -0.001 0.000 1.020 224 A HN 1.037 nan 8.150 nan 0.000 0.517 225 D N -1.452 118.957 120.400 0.016 0.000 4.954 225 D HA -0.411 4.229 4.640 -0.000 0.000 0.248 225 D C 0.997 177.316 176.300 0.032 0.000 1.865 225 D CA 2.598 56.615 54.000 0.027 0.000 1.161 225 D CB -1.491 39.325 40.800 0.025 0.000 0.696 225 D HN 0.674 nan 8.370 nan 0.000 1.110 226 E N 0.299 120.513 120.200 0.023 0.000 2.197 226 E HA -0.258 4.092 4.350 -0.000 0.000 0.205 226 E C 2.272 178.887 176.600 0.025 0.000 1.029 226 E CA 1.991 58.403 56.400 0.020 0.000 0.828 226 E CB -0.423 29.284 29.700 0.012 0.000 0.737 226 E HN 0.809 nan 8.360 nan 0.000 0.464 227 L N -0.913 120.328 121.223 0.030 0.000 2.249 227 L HA 0.204 4.544 4.340 -0.000 0.000 0.207 227 L C 1.467 178.396 176.870 0.098 0.000 1.090 227 L CA 0.257 55.121 54.840 0.041 0.000 0.802 227 L CB -0.464 41.608 42.059 0.023 0.000 0.947 227 L HN -0.085 nan 8.230 nan 0.000 0.453 228 V N 3.379 123.362 119.914 0.116 0.000 2.387 228 V HA 0.267 4.387 4.120 -0.000 0.000 0.260 228 V C 0.213 176.396 176.094 0.147 0.000 1.054 228 V CA 0.055 62.480 62.300 0.208 0.000 0.967 228 V CB 0.558 32.492 31.823 0.185 0.000 1.036 228 V HN 0.537 nan 8.190 nan 0.000 0.481 229 S N 6.422 122.198 115.700 0.127 0.000 2.577 229 S HA 0.711 5.181 4.470 -0.000 0.000 0.294 229 S C 0.180 174.828 174.600 0.080 0.000 1.161 229 S CA -0.091 58.153 58.200 0.074 0.000 1.143 229 S CB 1.077 64.294 63.200 0.030 0.000 0.991 229 S HN 1.765 nan 8.310 nan 0.000 0.475 230 A N 3.430 126.307 122.820 0.095 0.000 2.572 230 A HA 0.260 4.580 4.320 -0.000 0.000 0.256 230 A C 1.543 179.161 177.584 0.057 0.000 1.041 230 A CA 0.396 52.484 52.037 0.085 0.000 0.790 230 A CB -0.541 18.504 19.000 0.075 0.000 0.947 230 A HN 1.317 nan 8.150 nan 0.000 0.518 231 T N -0.031 114.554 114.554 0.051 0.000 3.227 231 T HA -0.037 4.313 4.350 -0.000 0.000 0.257 231 T C 0.859 175.613 174.700 0.090 0.000 1.162 231 T CA 0.953 63.090 62.100 0.062 0.000 1.051 231 T CB -0.218 68.676 68.868 0.043 0.000 0.953 231 T HN 0.609 nan 8.240 nan 0.000 0.535 232 D N 2.819 123.282 120.400 0.106 0.000 2.092 232 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 232 D C 2.436 178.878 176.300 0.237 0.000 0.994 232 D CA 1.529 55.623 54.000 0.155 0.000 0.828 232 D CB -0.205 40.710 40.800 0.192 0.000 0.963 232 D HN 0.713 nan 8.370 nan 0.000 0.450 233 R N 1.275 121.905 120.500 0.216 0.000 2.152 233 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 233 R C 1.919 178.319 176.300 0.166 0.000 1.117 233 R CA 0.920 57.146 56.100 0.211 0.000 0.981 233 R CB -0.236 30.162 30.300 0.162 0.000 0.870 233 R HN 0.092 nan 8.270 nan 0.000 0.451 234 K N 1.061 121.535 120.400 0.123 0.000 1.987 234 K HA -0.141 4.179 4.320 -0.000 0.000 0.216 234 K C 2.207 178.877 176.600 0.116 0.000 1.051 234 K CA 2.212 58.555 56.287 0.093 0.000 0.942 234 K CB -0.394 32.142 32.500 0.060 0.000 0.722 234 K HN 0.046 nan 8.250 nan 0.000 0.444 235 V N 1.522 121.499 119.914 0.105 0.000 2.282 235 V HA -0.327 3.793 4.120 -0.000 0.000 0.249 235 V C 2.466 178.772 176.094 0.353 0.000 1.057 235 V CA 2.138 64.507 62.300 0.116 0.000 1.032 235 V CB -1.116 30.584 31.823 -0.205 0.000 0.645 235 V HN 0.426 nan 8.190 nan 0.000 0.447 236 A N 1.270 124.338 122.820 0.413 0.000 1.873 236 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 236 A C 2.330 180.065 177.584 0.252 0.000 1.193 236 A CA 3.063 55.386 52.037 0.475 0.000 0.629 236 A CB -0.599 18.684 19.000 0.471 0.000 0.826 236 A HN 0.726 nan 8.150 nan 0.000 0.447 237 M N -1.190 118.525 119.600 0.191 0.000 2.349 237 M HA 0.144 4.624 4.480 -0.000 0.000 0.266 237 M C 1.945 178.314 176.300 0.114 0.000 1.076 237 M CA 1.521 56.893 55.300 0.121 0.000 1.126 237 M CB -0.917 31.737 32.600 0.090 0.000 1.392 237 M HN 0.199 nan 8.290 nan 0.000 0.440 238 G N 1.297 110.176 108.800 0.132 0.000 2.586 238 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 238 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 238 G C 1.115 176.062 174.900 0.078 0.000 1.216 238 G CA 1.288 46.435 45.100 0.077 0.000 0.786 238 G HN 0.462 nan 8.290 nan 0.000 0.583 239 F N 0.435 120.388 119.950 0.005 0.000 2.043 239 F HA -0.083 4.444 4.527 -0.000 0.000 0.297 239 F C 2.623 178.399 175.800 -0.039 0.000 1.121 239 F CA 1.410 59.396 58.000 -0.022 0.000 1.199 239 F CB -0.526 38.414 39.000 -0.101 0.000 0.968 239 F HN 0.032 nan 8.300 nan 0.000 0.478 240 L N 0.154 121.461 121.223 0.140 0.000 1.997 240 L HA -0.303 4.037 4.340 -0.000 0.000 0.216 240 L C 2.384 179.287 176.870 0.055 0.000 1.074 240 L CA 2.444 57.311 54.840 0.045 0.000 0.763 240 L CB -1.282 40.785 42.059 0.013 0.000 0.890 240 L HN 0.240 nan 8.230 nan 0.000 0.434 241 A N -0.285 122.568 122.820 0.056 0.000 1.855 241 A HA -0.123 4.197 4.320 -0.000 0.000 0.215 241 A C 2.510 180.130 177.584 0.060 0.000 1.191 241 A CA 2.096 54.161 52.037 0.048 0.000 0.613 241 A CB -1.054 17.969 19.000 0.038 0.000 0.829 241 A HN 0.617 nan 8.150 nan 0.000 0.442 242 A N -0.762 122.088 122.820 0.050 0.000 1.940 242 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 242 A C 2.314 179.986 177.584 0.146 0.000 1.190 242 A CA 2.752 54.824 52.037 0.057 0.000 0.647 242 A CB -1.493 17.489 19.000 -0.030 0.000 0.821 242 A HN 0.489 nan 8.150 nan 0.000 0.457 243 T N 0.237 114.899 114.554 0.179 0.000 2.701 243 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 243 T C 1.908 176.751 174.700 0.238 0.000 1.040 243 T CA 1.678 63.960 62.100 0.303 0.000 1.147 243 T CB -0.556 68.438 68.868 0.211 0.000 0.865 243 T HN 0.755 nan 8.240 nan 0.000 0.426 244 I N 0.345 120.987 120.570 0.120 0.000 2.315 244 I HA -0.030 4.140 4.170 -0.000 0.000 0.248 244 I C 2.138 178.310 176.117 0.092 0.000 1.117 244 I CA 1.215 62.559 61.300 0.074 0.000 1.404 244 I CB -0.476 37.542 38.000 0.030 0.000 1.071 244 I HN 0.105 nan 8.210 nan 0.000 0.419 245 L N 1.150 122.433 121.223 0.101 0.000 1.976 245 L HA -0.179 4.161 4.340 -0.000 0.000 0.209 245 L C 2.654 179.599 176.870 0.125 0.000 1.071 245 L CA 2.335 57.230 54.840 0.092 0.000 0.746 245 L CB -0.649 41.454 42.059 0.074 0.000 0.890 245 L HN 0.369 nan 8.230 nan 0.000 0.432 246 I N -0.754 119.932 120.570 0.194 0.000 2.194 246 I HA -0.321 3.849 4.170 -0.000 0.000 0.246 246 I C 2.519 178.795 176.117 0.265 0.000 1.093 246 I CA 1.200 62.650 61.300 0.250 0.000 1.355 246 I CB -0.537 37.678 38.000 0.359 0.000 1.046 246 I HN 0.085 nan 8.210 nan 0.000 0.413 247 V N 0.979 121.068 119.914 0.292 0.000 2.255 247 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 247 V C 2.570 178.694 176.094 0.050 0.000 1.051 247 V CA 2.171 64.566 62.300 0.159 0.000 1.018 247 V CB -0.911 30.943 31.823 0.051 0.000 0.641 247 V HN 0.516 nan 8.190 nan 0.000 0.445 248 V N -2.420 117.523 119.914 0.048 0.000 2.453 248 V HA -0.209 3.910 4.120 -0.000 0.000 0.247 248 V C 2.355 178.463 176.094 0.023 0.000 1.048 248 V CA 1.820 64.132 62.300 0.020 0.000 1.049 248 V CB -0.696 31.137 31.823 0.017 0.000 0.672 248 V HN 0.359 nan 8.190 nan 0.000 0.457 249 M N 1.169 120.797 119.600 0.046 0.000 2.080 249 M HA -0.089 4.391 4.480 -0.000 0.000 0.260 249 M C 2.592 178.914 176.300 0.037 0.000 1.068 249 M CA 2.567 57.894 55.300 0.043 0.000 1.109 249 M CB -1.545 31.091 32.600 0.060 0.000 1.342 249 M HN 0.569 nan 8.290 nan 0.000 0.405 250 A N 0.187 123.032 122.820 0.041 0.000 1.902 250 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 250 A C 2.292 179.842 177.584 -0.057 0.000 1.181 250 A CA 2.022 54.060 52.037 0.002 0.000 0.623 250 A CB -0.751 18.166 19.000 -0.138 0.000 0.818 250 A HN 0.569 nan 8.150 nan 0.000 0.443 251 M N 0.573 120.133 119.600 -0.067 0.000 2.086 251 M HA -0.154 4.326 4.480 -0.000 0.000 0.261 251 M C 2.103 178.388 176.300 -0.025 0.000 1.067 251 M CA 2.520 57.779 55.300 -0.069 0.000 1.116 251 M CB -0.214 32.349 32.600 -0.062 0.000 1.348 251 M HN 0.470 nan 8.290 nan 0.000 0.407 252 S N -1.336 114.360 115.700 -0.008 0.000 2.562 252 S HA 0.016 4.486 4.470 -0.000 0.000 0.221 252 S C 1.811 176.419 174.600 0.014 0.000 0.975 252 S CA 0.868 59.070 58.200 0.004 0.000 0.918 252 S CB -0.336 62.866 63.200 0.004 0.000 0.772 252 S HN 0.577 nan 8.310 nan 0.000 0.531 253 S N 1.268 116.979 115.700 0.019 0.000 2.388 253 S HA 0.292 4.762 4.470 -0.000 0.000 0.223 253 S C 2.187 176.819 174.600 0.054 0.000 1.034 253 S CA 0.695 58.913 58.200 0.029 0.000 0.963 253 S CB -0.700 62.525 63.200 0.041 0.000 0.827 253 S HN 0.753 nan 8.310 nan 0.000 0.481 254 A N 1.973 124.833 122.820 0.066 0.000 1.986 254 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 254 A C 1.896 179.569 177.584 0.148 0.000 1.171 254 A CA 1.750 53.863 52.037 0.127 0.000 0.640 254 A CB -0.645 18.371 19.000 0.028 0.000 0.811 254 A HN 0.535 nan 8.150 nan 0.000 0.451 255 N N -0.852 117.891 118.700 0.072 0.000 2.416 255 N HA -0.048 4.692 4.740 -0.000 0.000 0.177 255 N C 1.936 177.476 175.510 0.049 0.000 1.036 255 N CA 1.177 54.266 53.050 0.064 0.000 0.901 255 N CB 0.053 38.558 38.487 0.031 0.000 0.976 255 N HN 0.539 nan 8.380 nan 0.000 0.444 256 S N 0.212 115.928 115.700 0.028 0.000 2.356 256 S HA -0.006 4.464 4.470 -0.000 0.000 0.219 256 S C 0.914 175.490 174.600 -0.039 0.000 1.036 256 S CA 0.499 58.697 58.200 -0.003 0.000 0.965 256 S CB 0.161 63.355 63.200 -0.008 0.000 0.864 256 S HN 0.149 nan 8.310 nan 0.000 0.471 257 K N -0.101 120.256 120.400 -0.073 0.000 2.270 257 K HA 0.147 4.467 4.320 -0.000 0.000 0.276 257 K C -1.072 175.401 176.600 -0.213 0.000 1.023 257 K CA -0.218 55.914 56.287 -0.258 0.000 0.955 257 K CB 0.024 32.317 32.500 -0.344 0.000 0.975 257 K HN 0.440 nan 8.250 nan 0.000 0.471 258 Y N 1.041 121.353 120.300 0.021 0.000 3.380 258 Y HA -0.165 4.385 4.550 -0.000 0.000 0.211 258 Y C -1.889 174.020 175.900 0.015 0.000 1.394 258 Y CA 0.149 58.265 58.100 0.026 0.000 1.479 258 Y CB -1.986 36.493 38.460 0.032 0.000 1.483 258 Y HN 0.727 nan 8.280 nan 0.000 0.566 259 P HA 0.015 nan 4.420 nan 0.000 0.225 259 P C 0.427 177.764 177.300 0.063 0.000 1.156 259 P CA 1.072 64.207 63.100 0.059 0.000 0.787 259 P CB 0.555 32.268 31.700 0.022 0.000 0.802 260 I N 1.118 121.733 120.570 0.075 0.000 2.307 260 I HA 0.261 4.431 4.170 -0.000 0.000 0.289 260 I C 0.483 176.648 176.117 0.079 0.000 1.021 260 I CA 0.105 61.442 61.300 0.062 0.000 1.224 260 I CB 1.199 39.227 38.000 0.047 0.000 1.376 260 I HN -0.090 nan 8.210 nan 0.000 0.470 261 T N 5.403 119.991 114.554 0.056 0.000 2.894 261 T HA 0.849 5.199 4.350 -0.000 0.000 0.309 261 T C -0.694 174.021 174.700 0.024 0.000 1.208 261 T CA -0.750 61.377 62.100 0.045 0.000 1.016 261 T CB 1.386 70.279 68.868 0.042 0.000 1.192 261 T HN 0.366 nan 8.240 nan 0.000 0.491 262 I N -0.012 120.567 120.570 0.016 0.000 2.785 262 I HA 0.819 4.989 4.170 -0.000 0.000 0.302 262 I C -2.355 173.763 176.117 0.001 0.000 1.069 262 I CA -2.558 58.747 61.300 0.008 0.000 1.045 262 I CB 1.444 39.449 38.000 0.007 0.000 1.236 262 I HN 0.524 nan 8.210 nan 0.000 0.429 263 P HA 0.290 nan 4.420 nan 0.000 0.272 263 P C -0.495 176.800 177.300 -0.009 0.000 1.230 263 P CA -0.457 62.638 63.100 -0.008 0.000 0.788 263 P CB 0.696 32.391 31.700 -0.009 0.000 0.949 264 L N 1.610 122.825 121.223 -0.013 0.000 2.640 264 L HA -0.082 4.258 4.340 -0.000 0.000 0.280 264 L C 1.122 177.984 176.870 -0.014 0.000 1.229 264 L CA 0.321 55.152 54.840 -0.015 0.000 0.919 264 L CB -0.357 41.689 42.059 -0.021 0.000 1.168 264 L HN 0.292 nan 8.230 nan 0.000 0.496 265 Q N 3.540 123.333 119.800 -0.012 0.000 2.295 265 Q HA 0.611 4.951 4.340 -0.000 0.000 0.259 265 Q C -0.175 175.816 176.000 -0.015 0.000 0.976 265 Q CA -0.023 55.774 55.803 -0.010 0.000 0.923 265 Q CB 1.714 30.449 28.738 -0.005 0.000 1.185 265 Q HN 0.725 nan 8.270 nan 0.000 0.410 266 A N 1.004 123.815 122.820 -0.015 0.000 2.602 266 A HA 0.931 5.251 4.320 -0.000 0.000 0.290 266 A C -0.623 176.953 177.584 -0.014 0.000 1.114 266 A CA -0.119 51.907 52.037 -0.020 0.000 0.683 266 A CB 1.990 20.971 19.000 -0.032 0.000 1.281 266 A HN 0.835 nan 8.150 nan 0.000 0.416 267 G N -0.478 108.314 108.800 -0.014 0.000 2.435 267 G HA2 0.490 4.450 3.960 -0.000 0.000 0.603 267 G HA3 0.490 4.450 3.960 -0.000 0.000 0.603 267 G C -0.601 174.299 174.900 -0.001 0.000 1.496 267 G CA -0.227 44.867 45.100 -0.009 0.000 0.896 267 G HN 1.143 nan 8.290 nan 0.000 0.657 268 T N 3.061 117.614 114.554 -0.001 0.000 2.817 268 T HA 0.332 4.682 4.350 -0.000 0.000 0.295 268 T C 1.237 175.941 174.700 0.006 0.000 0.958 268 T CA 0.320 62.424 62.100 0.006 0.000 1.157 268 T CB 0.507 69.376 68.868 0.002 0.000 0.898 268 T HN 0.495 nan 8.240 nan 0.000 0.536 269 M N 3.910 123.517 119.600 0.012 0.000 2.356 269 M HA 0.137 4.617 4.480 -0.000 0.000 0.348 269 M C 0.852 177.151 176.300 -0.001 0.000 1.595 269 M CA 0.373 55.678 55.300 0.008 0.000 1.095 269 M CB 0.246 32.853 32.600 0.011 0.000 1.963 269 M HN 0.502 nan 8.290 nan 0.000 0.459 270 R N 1.466 121.966 120.500 -0.000 0.000 2.519 270 R HA 0.568 4.907 4.340 -0.000 0.000 0.244 270 R C 0.709 177.011 176.300 0.003 0.000 1.241 270 R CA 0.685 56.784 56.100 -0.002 0.000 1.120 270 R CB 0.586 30.886 30.300 -0.001 0.000 1.333 270 R HN 0.866 nan 8.270 nan 0.000 0.587 271 G N 1.186 109.992 108.800 0.010 0.000 2.273 271 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.280 271 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.280 271 G C -0.195 174.724 174.900 0.031 0.000 1.047 271 G CA 0.065 45.178 45.100 0.021 0.000 0.869 271 G HN 0.169 nan 8.290 nan 0.000 0.502 272 M N -0.377 119.241 119.600 0.029 0.000 2.217 272 M HA 0.240 4.720 4.480 -0.000 0.000 0.352 272 M C 0.737 177.120 176.300 0.138 0.000 1.376 272 M CA -0.193 55.127 55.300 0.032 0.000 1.107 272 M CB 0.918 33.456 32.600 -0.104 0.000 1.723 272 M HN 0.229 nan 8.290 nan 0.000 0.461 273 K N 6.009 126.485 120.400 0.127 0.000 2.349 273 K HA 0.284 4.604 4.320 -0.000 0.000 0.289 273 K C -2.362 174.366 176.600 0.214 0.000 1.064 273 K CA -0.956 55.409 56.287 0.130 0.000 0.947 273 K CB 0.446 32.991 32.500 0.073 0.000 1.007 273 K HN 0.276 nan 8.250 nan 0.000 0.478 274 P HA 0.170 nan 4.420 nan 0.000 0.281 274 P C -1.112 176.125 177.300 -0.105 0.000 1.281 274 P CA -0.790 62.251 63.100 -0.099 0.000 0.811 274 P CB 0.601 32.132 31.700 -0.281 0.000 1.154 275 L N 0.838 121.943 121.223 -0.197 0.000 2.334 275 L HA 0.269 4.609 4.340 -0.000 0.000 0.277 275 L C 0.568 177.376 176.870 -0.104 0.000 1.075 275 L CA -0.103 54.665 54.840 -0.120 0.000 0.804 275 L CB 0.297 42.277 42.059 -0.130 0.000 1.174 275 L HN 0.290 nan 8.230 nan 0.000 0.438 276 E N 3.732 123.892 120.200 -0.068 0.000 2.122 276 E HA 0.208 4.558 4.350 -0.000 0.000 0.288 276 E C -0.731 175.839 176.600 -0.049 0.000 1.260 276 E CA -0.185 56.181 56.400 -0.057 0.000 1.344 276 E CB -0.360 29.314 29.700 -0.042 0.000 1.337 276 E HN 0.357 nan 8.360 nan 0.000 0.484 277 L N 3.131 124.322 121.223 -0.053 0.000 2.483 277 L HA 0.219 4.559 4.340 -0.000 0.000 0.275 277 L C -1.510 175.334 176.870 -0.043 0.000 1.220 277 L CA -0.884 53.931 54.840 -0.042 0.000 0.833 277 L CB -0.173 41.861 42.059 -0.041 0.000 1.102 277 L HN 0.412 nan 8.230 nan 0.000 0.490 278 P HA 0.337 nan 4.420 nan 0.000 0.285 278 P C -1.018 176.251 177.300 -0.052 0.000 1.269 278 P CA -0.683 62.392 63.100 -0.042 0.000 0.844 278 P CB 1.218 32.896 31.700 -0.036 0.000 1.094 279 A N 3.539 126.326 122.820 -0.054 0.000 2.511 279 A HA 0.400 4.720 4.320 -0.000 0.000 0.242 279 A C -1.637 175.904 177.584 -0.072 0.000 1.069 279 A CA -0.649 51.350 52.037 -0.064 0.000 0.763 279 A CB -1.383 17.578 19.000 -0.065 0.000 1.001 279 A HN 0.481 nan 8.150 nan 0.000 0.498 280 P HA 0.287 nan 4.420 nan 0.000 0.274 280 P C 0.412 177.655 177.300 -0.096 0.000 1.256 280 P CA -0.178 62.866 63.100 -0.094 0.000 0.795 280 P CB 0.889 32.523 31.700 -0.110 0.000 1.038 281 T N -0.906 113.586 114.554 -0.104 0.000 3.023 281 T HA 0.139 4.489 4.350 -0.000 0.000 0.249 281 T C 0.608 175.243 174.700 -0.108 0.000 1.050 281 T CA 0.164 62.214 62.100 -0.083 0.000 1.088 281 T CB 0.080 68.911 68.868 -0.062 0.000 0.946 281 T HN 0.091 nan 8.240 nan 0.000 0.480 282 V N 2.953 122.736 119.914 -0.219 0.000 2.607 282 V HA 0.573 4.693 4.120 -0.000 0.000 0.289 282 V C 0.083 176.033 176.094 -0.240 0.000 1.053 282 V CA -0.715 61.378 62.300 -0.345 0.000 0.996 282 V CB 1.466 32.792 31.823 -0.828 0.000 0.995 282 V HN 0.463 nan 8.190 nan 0.000 0.476 283 S N 3.720 119.317 115.700 -0.172 0.000 2.521 283 S HA 0.844 5.314 4.470 -0.000 0.000 0.295 283 S C -0.838 173.706 174.600 -0.093 0.000 1.098 283 S CA -0.591 57.548 58.200 -0.102 0.000 0.999 283 S CB 1.812 64.987 63.200 -0.041 0.000 1.034 283 S HN 1.308 nan 8.310 nan 0.000 0.483 284 V N 0.571 120.458 119.914 -0.045 0.000 2.962 284 V HA 0.847 4.967 4.120 -0.000 0.000 0.313 284 V C -1.307 174.794 176.094 0.012 0.000 1.099 284 V CA -0.737 61.561 62.300 -0.003 0.000 0.971 284 V CB 2.047 33.910 31.823 0.067 0.000 1.028 284 V HN 1.078 nan 8.190 nan 0.000 0.430 285 K N 3.227 123.637 120.400 0.016 0.000 2.443 285 K HA 0.607 4.927 4.320 -0.000 0.000 0.252 285 K C -1.854 174.761 176.600 0.025 0.000 0.933 285 K CA -0.474 55.824 56.287 0.018 0.000 0.792 285 K CB 1.989 34.495 32.500 0.011 0.000 1.185 285 K HN 1.072 nan 8.250 nan 0.000 0.425 286 V N 5.491 125.425 119.914 0.034 0.000 2.350 286 V HA 0.444 4.564 4.120 -0.000 0.000 0.285 286 V C -0.711 175.413 176.094 0.050 0.000 1.014 286 V CA -0.384 61.945 62.300 0.049 0.000 0.831 286 V CB 1.183 33.057 31.823 0.085 0.000 1.000 286 V HN 0.813 nan 8.190 nan 0.000 0.433 287 E N 4.165 124.387 120.200 0.036 0.000 2.207 287 E HA 0.430 4.780 4.350 -0.000 0.000 0.270 287 E C -0.594 176.025 176.600 0.032 0.000 0.927 287 E CA -0.609 55.812 56.400 0.035 0.000 0.799 287 E CB 1.407 31.120 29.700 0.023 0.000 1.172 287 E HN 0.685 nan 8.360 nan 0.000 0.404 288 D N 0.300 120.722 120.400 0.038 0.000 2.947 288 D HA -0.105 4.535 4.640 -0.000 0.000 0.077 288 D C -1.078 175.252 176.300 0.049 0.000 0.980 288 D CA 1.839 55.863 54.000 0.040 0.000 0.524 288 D CB -0.006 40.802 40.800 0.013 0.000 0.717 288 D HN 0.756 nan 8.370 nan 0.000 0.245 289 A N 0.954 123.814 122.820 0.066 0.000 2.466 289 A HA 0.633 4.953 4.320 -0.000 0.000 0.284 289 A C -0.089 177.516 177.584 0.034 0.000 1.049 289 A CA 0.017 52.074 52.037 0.033 0.000 0.760 289 A CB 1.662 20.745 19.000 0.138 0.000 1.274 289 A HN 0.599 nan 8.150 nan 0.000 0.412 290 T N -0.524 114.014 114.554 -0.028 0.000 2.916 290 T HA 0.845 5.195 4.350 -0.000 0.000 0.292 290 T C -0.746 173.964 174.700 0.017 0.000 1.055 290 T CA -0.591 61.500 62.100 -0.014 0.000 1.009 290 T CB 1.496 70.305 68.868 -0.098 0.000 1.118 290 T HN 1.556 nan 8.240 nan 0.000 0.497 291 Y N -0.629 119.561 120.300 -0.182 0.000 2.492 291 Y HA 0.804 5.354 4.550 -0.000 0.000 0.346 291 Y C -0.533 175.243 175.900 -0.206 0.000 0.997 291 Y CA -1.722 56.237 58.100 -0.235 0.000 1.025 291 Y CB 1.129 39.506 38.460 -0.140 0.000 1.263 291 Y HN 0.528 nan 8.280 nan 0.000 0.454 292 R N 2.097 122.457 120.500 -0.232 0.000 2.491 292 R HA 0.511 4.851 4.340 -0.000 0.000 0.283 292 R C -1.240 174.990 176.300 -0.118 0.000 1.072 292 R CA -0.705 55.260 56.100 -0.225 0.000 1.048 292 R CB 1.341 31.563 30.300 -0.130 0.000 0.983 292 R HN 0.695 nan 8.270 nan 0.000 0.450 293 V N 6.497 126.311 119.914 -0.167 0.000 2.407 293 V HA 0.320 4.440 4.120 -0.000 0.000 0.291 293 V C -1.931 174.228 176.094 0.109 0.000 1.018 293 V CA -1.616 60.705 62.300 0.034 0.000 0.842 293 V CB 1.746 33.599 31.823 0.051 0.000 0.996 293 V HN 0.688 nan 8.190 nan 0.000 0.426 294 P HA 0.821 nan 4.420 nan 0.000 0.281 294 P C 0.035 177.432 177.300 0.163 0.000 1.264 294 P CA -0.120 63.081 63.100 0.169 0.000 0.824 294 P CB 1.880 33.670 31.700 0.150 0.000 1.092 295 G N -0.214 108.745 108.800 0.265 0.000 2.500 295 G HA2 0.418 4.378 3.960 -0.000 0.000 0.299 295 G HA3 0.418 4.378 3.960 -0.000 0.000 0.299 295 G C -0.651 174.455 174.900 0.344 0.000 1.242 295 G CA -0.612 44.614 45.100 0.209 0.000 0.859 295 G HN 0.370 nan 8.290 nan 0.000 0.481 296 R N -0.960 119.627 120.500 0.145 0.000 2.468 296 R HA 0.529 4.869 4.340 -0.000 0.000 0.352 296 R C -0.132 176.073 176.300 -0.158 0.000 0.858 296 R CA 0.551 56.793 56.100 0.237 0.000 1.108 296 R CB 1.360 31.776 30.300 0.194 0.000 1.741 296 R HN 0.822 nan 8.270 nan 0.000 0.504 297 A N 1.230 123.692 122.820 -0.597 0.000 2.455 297 A HA 0.569 4.889 4.320 -0.000 0.000 0.300 297 A C -0.988 176.041 177.584 -0.925 0.000 1.040 297 A CA -0.606 50.997 52.037 -0.723 0.000 0.697 297 A CB 1.576 20.360 19.000 -0.360 0.000 1.265 297 A HN 0.174 nan 8.150 nan 0.000 0.407 298 M N 2.384 121.422 119.600 -0.937 0.000 2.367 298 M HA 0.704 5.184 4.480 -0.000 0.000 0.339 298 M C -0.634 175.403 176.300 -0.439 0.000 1.177 298 M CA -0.242 54.693 55.300 -0.607 0.000 1.068 298 M CB 0.952 33.221 32.600 -0.550 0.000 1.602 298 M HN 0.738 nan 8.290 nan 0.000 0.457 299 R N 5.424 125.733 120.500 -0.317 0.000 2.686 299 R HA 0.738 5.078 4.340 -0.000 0.000 0.286 299 R C -1.204 174.955 176.300 -0.236 0.000 0.969 299 R CA -0.732 55.210 56.100 -0.264 0.000 0.898 299 R CB 1.787 31.970 30.300 -0.194 0.000 1.183 299 R HN 0.815 nan 8.270 nan 0.000 0.456 300 M N -0.051 119.409 119.600 -0.234 0.000 2.518 300 M HA 0.512 4.992 4.480 -0.000 0.000 0.300 300 M C -0.969 175.263 176.300 -0.114 0.000 1.175 300 M CA -0.963 54.239 55.300 -0.163 0.000 0.890 300 M CB 2.694 35.178 32.600 -0.194 0.000 1.710 300 M HN 0.368 nan 8.290 nan 0.000 0.453 301 K N 3.719 124.082 120.400 -0.061 0.000 2.268 301 K HA 0.597 4.917 4.320 -0.000 0.000 0.276 301 K C -1.735 174.853 176.600 -0.021 0.000 1.080 301 K CA -0.341 55.921 56.287 -0.041 0.000 0.910 301 K CB 0.581 33.064 32.500 -0.028 0.000 1.163 301 K HN 0.814 nan 8.250 nan 0.000 0.465 302 L N 2.913 124.123 121.223 -0.022 0.000 2.325 302 L HA 0.389 4.729 4.340 -0.000 0.000 0.278 302 L C 0.077 176.953 176.870 0.010 0.000 1.023 302 L CA -0.943 53.899 54.840 0.002 0.000 0.811 302 L CB 1.889 43.955 42.059 0.012 0.000 1.249 302 L HN 0.458 nan 8.230 nan 0.000 0.431 303 T N 3.309 117.870 114.554 0.011 0.000 3.016 303 T HA 0.476 4.826 4.350 -0.000 0.000 0.335 303 T C 0.084 174.786 174.700 0.003 0.000 1.176 303 T CA -0.276 61.827 62.100 0.005 0.000 0.987 303 T CB -0.212 68.656 68.868 -0.001 0.000 1.073 303 T HN 0.191 nan 8.240 nan 0.000 0.547 304 I N 3.102 123.679 120.570 0.011 0.000 2.575 304 I HA 0.346 4.516 4.170 -0.000 0.000 0.285 304 I C 0.932 177.010 176.117 -0.065 0.000 1.085 304 I CA 0.193 61.482 61.300 -0.018 0.000 1.403 304 I CB 1.107 39.134 38.000 0.045 0.000 1.409 304 I HN 0.476 nan 8.210 nan 0.000 0.557 305 T N 5.163 119.648 114.554 -0.115 0.000 3.031 305 T HA 0.248 4.598 4.350 -0.000 0.000 0.305 305 T C -0.707 173.900 174.700 -0.155 0.000 0.985 305 T CA -0.889 61.142 62.100 -0.116 0.000 1.008 305 T CB 0.504 69.324 68.868 -0.080 0.000 1.005 305 T HN 0.691 nan 8.240 nan 0.000 0.444 306 N N 4.440 123.038 118.700 -0.171 0.000 2.645 306 N HA 0.148 4.888 4.740 -0.000 0.000 0.233 306 N C -0.372 175.045 175.510 -0.155 0.000 1.058 306 N CA -0.358 52.591 53.050 -0.167 0.000 0.942 306 N CB 0.277 38.679 38.487 -0.141 0.000 1.210 306 N HN 0.669 nan 8.380 nan 0.000 0.512 307 H N 1.500 120.504 119.070 -0.111 0.000 2.671 307 H HA 0.299 4.855 4.556 -0.000 0.000 0.372 307 H C 0.644 175.926 175.328 -0.077 0.000 1.227 307 H CA 1.355 57.353 56.048 -0.082 0.000 1.426 307 H CB 0.959 30.674 29.762 -0.079 0.000 1.480 307 H HN 0.757 nan 8.280 nan 0.000 0.611 308 G N 1.770 110.627 108.800 0.096 0.000 3.379 308 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.653 308 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.653 308 G C -0.469 174.432 174.900 0.002 0.000 0.872 308 G CA -0.110 45.009 45.100 0.032 0.000 0.754 308 G HN 0.964 nan 8.290 nan 0.000 0.467 309 N N 0.654 119.356 118.700 0.003 0.000 2.406 309 N HA 0.417 5.157 4.740 -0.000 0.000 0.274 309 N C -0.059 175.453 175.510 0.003 0.000 1.249 309 N CA 0.198 53.247 53.050 -0.001 0.000 0.951 309 N CB 1.111 39.599 38.487 0.002 0.000 1.241 309 N HN 0.870 nan 8.380 nan 0.000 0.485 310 S N 2.172 117.874 115.700 0.003 0.000 2.744 310 S HA 0.135 4.605 4.470 -0.000 0.000 0.310 310 S C -3.062 171.549 174.600 0.019 0.000 0.896 310 S CA -0.950 57.260 58.200 0.015 0.000 0.807 310 S CB 0.852 64.067 63.200 0.025 0.000 1.007 310 S HN 0.325 nan 8.310 nan 0.000 0.483 311 P HA 0.337 nan 4.420 nan 0.000 0.262 311 P C -0.793 176.546 177.300 0.065 0.000 1.199 311 P CA 0.031 63.152 63.100 0.036 0.000 0.763 311 P CB 0.155 31.878 31.700 0.038 0.000 0.790 312 I N 4.129 124.742 120.570 0.071 0.000 2.607 312 I HA 0.447 4.617 4.170 -0.000 0.000 0.305 312 I C 0.593 176.829 176.117 0.198 0.000 0.995 312 I CA -0.498 60.878 61.300 0.126 0.000 1.148 312 I CB 1.307 39.337 38.000 0.050 0.000 1.323 312 I HN 0.201 nan 8.210 nan 0.000 0.461 313 R N 4.402 125.081 120.500 0.298 0.000 2.808 313 R HA 0.513 4.853 4.340 -0.000 0.000 0.272 313 R C -1.528 174.973 176.300 0.335 0.000 0.995 313 R CA -1.077 55.200 56.100 0.294 0.000 0.917 313 R CB 1.880 32.300 30.300 0.199 0.000 1.217 313 R HN 0.446 nan 8.270 nan 0.000 0.471 314 L N 2.063 123.392 121.223 0.176 0.000 2.315 314 L HA 0.230 4.570 4.340 -0.000 0.000 0.283 314 L C 0.824 177.720 176.870 0.043 0.000 1.089 314 L CA 0.520 55.294 54.840 -0.110 0.000 0.833 314 L CB 1.164 43.124 42.059 -0.165 0.000 1.170 314 L HN 0.987 nan 8.230 nan 0.000 0.442 315 G N 3.930 112.822 108.800 0.154 0.000 2.656 315 G HA2 0.029 3.988 3.960 -0.000 0.000 0.211 315 G HA3 0.029 3.988 3.960 -0.000 0.000 0.211 315 G C 0.265 175.313 174.900 0.246 0.000 1.137 315 G CA 0.056 45.302 45.100 0.243 0.000 0.802 315 G HN 0.616 nan 8.290 nan 0.000 0.527 316 E N -1.023 119.332 120.200 0.259 0.000 2.381 316 E HA 0.369 4.719 4.350 -0.000 0.000 0.286 316 E C -2.175 174.693 176.600 0.447 0.000 0.960 316 E CA -0.864 55.745 56.400 0.349 0.000 0.793 316 E CB 1.709 31.606 29.700 0.330 0.000 1.225 316 E HN -0.101 nan 8.360 nan 0.000 0.420 317 F N 5.581 125.694 119.950 0.271 0.000 2.375 317 F HA 0.412 4.939 4.527 -0.000 0.000 0.361 317 F C -1.717 174.329 175.800 0.409 0.000 1.117 317 F CA -0.973 57.186 58.000 0.265 0.000 1.037 317 F CB 0.600 39.695 39.000 0.160 0.000 1.192 317 F HN 0.457 nan 8.300 nan 0.000 0.452 318 Y N 5.380 125.719 120.300 0.066 0.000 2.320 318 Y HA 0.408 4.958 4.550 -0.000 0.000 0.334 318 Y C 0.548 176.220 175.900 -0.380 0.000 1.055 318 Y CA 0.148 58.206 58.100 -0.070 0.000 1.143 318 Y CB 1.770 40.322 38.460 0.153 0.000 1.193 318 Y HN 0.754 nan 8.280 nan 0.000 0.477 319 T N 3.134 117.178 114.554 -0.849 0.000 3.238 319 T HA 0.446 4.796 4.350 -0.000 0.000 0.242 319 T C -0.218 174.169 174.700 -0.522 0.000 0.980 319 T CA 0.568 62.285 62.100 -0.639 0.000 1.235 319 T CB -0.173 68.396 68.868 -0.499 0.000 1.069 319 T HN 0.722 nan 8.240 nan 0.000 0.407 320 A N 0.119 122.641 122.820 -0.495 0.000 3.216 320 A HA 0.679 4.999 4.320 -0.000 0.000 0.321 320 A C 0.705 178.143 177.584 -0.243 0.000 1.042 320 A CA 0.418 52.312 52.037 -0.237 0.000 0.838 320 A CB -0.062 18.916 19.000 -0.037 0.000 1.136 320 A HN 0.500 nan 8.150 nan 0.000 0.483 321 S N -1.611 113.861 115.700 -0.380 0.000 2.261 321 S HA -0.192 4.278 4.470 -0.000 0.000 0.247 321 S C 0.460 174.994 174.600 -0.110 0.000 1.195 321 S CA 1.333 59.539 58.200 0.010 0.000 1.464 321 S CB -1.897 61.323 63.200 0.033 0.000 1.835 321 S HN 2.008 nan 8.310 nan 0.000 0.598 322 V N 3.091 122.767 119.914 -0.396 0.000 2.465 322 V HA 0.643 4.763 4.120 -0.000 0.000 0.279 322 V C 0.001 175.804 176.094 -0.485 0.000 1.045 322 V CA -0.449 61.615 62.300 -0.393 0.000 0.938 322 V CB 1.304 32.876 31.823 -0.418 0.000 0.986 322 V HN 0.343 nan 8.190 nan 0.000 0.467 323 R N 6.068 126.314 120.500 -0.422 0.000 2.337 323 R HA 0.465 4.805 4.340 -0.000 0.000 0.319 323 R C -1.588 174.510 176.300 -0.338 0.000 0.954 323 R CA -0.256 55.680 56.100 -0.274 0.000 0.840 323 R CB 1.542 31.662 30.300 -0.300 0.000 1.164 323 R HN 0.691 nan 8.270 nan 0.000 0.472 324 F N 3.952 123.922 119.950 0.032 0.000 2.391 324 F HA 0.314 4.841 4.527 -0.000 0.000 0.359 324 F C -0.083 175.787 175.800 0.116 0.000 1.122 324 F CA -0.799 57.253 58.000 0.088 0.000 1.120 324 F CB 0.767 39.858 39.000 0.151 0.000 1.142 324 F HN 0.119 nan 8.300 nan 0.000 0.483 325 L N 2.972 124.329 121.223 0.222 0.000 2.334 325 L HA 0.353 4.693 4.340 -0.000 0.000 0.273 325 L C -0.215 176.738 176.870 0.138 0.000 1.013 325 L CA -0.693 54.252 54.840 0.176 0.000 0.816 325 L CB 1.220 43.337 42.059 0.098 0.000 1.278 325 L HN 0.404 nan 8.230 nan 0.000 0.431 326 D N 0.261 120.732 120.400 0.119 0.000 2.365 326 D HA 0.064 4.704 4.640 -0.000 0.000 0.237 326 D C 0.954 177.278 176.300 0.040 0.000 1.190 326 D CA 0.054 54.098 54.000 0.073 0.000 0.867 326 D CB 1.147 41.987 40.800 0.066 0.000 1.050 326 D HN 0.571 nan 8.370 nan 0.000 0.491 327 S N 2.354 118.064 115.700 0.017 0.000 2.595 327 S HA -0.103 4.367 4.470 -0.000 0.000 0.235 327 S C 0.924 175.510 174.600 -0.023 0.000 0.974 327 S CA 0.394 58.580 58.200 -0.022 0.000 0.942 327 S CB 0.167 63.352 63.200 -0.025 0.000 0.766 327 S HN 0.433 nan 8.310 nan 0.000 0.536 328 D N 1.040 121.440 120.400 -0.000 0.000 2.305 328 D HA 0.050 4.690 4.640 -0.000 0.000 0.206 328 D C 2.013 178.315 176.300 0.002 0.000 0.974 328 D CA 1.116 55.117 54.000 0.002 0.000 0.871 328 D CB 0.648 41.456 40.800 0.014 0.000 0.947 328 D HN 0.538 nan 8.370 nan 0.000 0.516 329 V N -1.995 117.924 119.914 0.008 0.000 2.806 329 V HA 0.207 4.327 4.120 -0.000 0.000 0.239 329 V C 0.044 176.104 176.094 -0.057 0.000 1.113 329 V CA 0.252 62.556 62.300 0.007 0.000 1.137 329 V CB 0.326 32.188 31.823 0.065 0.000 0.865 329 V HN -0.015 nan 8.190 nan 0.000 0.482 330 Y N 1.348 121.502 120.300 -0.244 0.000 2.462 330 Y HA 0.737 5.287 4.550 -0.000 0.000 0.346 330 Y C -0.639 175.133 175.900 -0.213 0.000 0.976 330 Y CA -1.362 56.508 58.100 -0.384 0.000 1.044 330 Y CB 1.691 39.719 38.460 -0.719 0.000 1.230 330 Y HN 0.080 nan 8.280 nan 0.000 0.455 331 K N 4.440 124.263 120.400 -0.962 0.000 2.471 331 K HA 0.211 4.531 4.320 -0.000 0.000 0.252 331 K C -1.799 174.219 176.600 -0.970 0.000 0.938 331 K CA -0.587 55.295 56.287 -0.674 0.000 0.796 331 K CB 1.574 33.855 32.500 -0.365 0.000 1.161 331 K HN 0.950 nan 8.250 nan 0.000 0.425 332 D N 1.069 121.097 120.400 -0.619 0.000 2.345 332 D HA 0.087 4.727 4.640 -0.000 0.000 0.247 332 D C 0.865 177.053 176.300 -0.187 0.000 1.108 332 D CA 0.177 53.945 54.000 -0.387 0.000 0.894 332 D CB 1.101 41.818 40.800 -0.138 0.000 1.203 332 D HN 0.571 nan 8.370 nan 0.000 0.430 333 T N -1.732 112.776 114.554 -0.076 0.000 3.004 333 T HA -0.005 4.345 4.350 -0.000 0.000 0.266 333 T C 1.666 176.415 174.700 0.081 0.000 0.986 333 T CA 0.347 62.446 62.100 -0.002 0.000 0.902 333 T CB -0.415 68.448 68.868 -0.009 0.000 1.118 333 T HN 0.428 nan 8.240 nan 0.000 0.522 334 T N 0.253 114.891 114.554 0.139 0.000 3.118 334 T HA 0.181 4.531 4.350 -0.000 0.000 0.269 334 T C 1.931 176.818 174.700 0.312 0.000 1.166 334 T CA 1.065 63.304 62.100 0.233 0.000 1.073 334 T CB -1.399 67.644 68.868 0.292 0.000 0.884 334 T HN 1.337 nan 8.240 nan 0.000 0.550 335 G N 0.278 109.211 108.800 0.222 0.000 2.221 335 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.265 335 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.265 335 G C -0.127 174.876 174.900 0.171 0.000 1.041 335 G CA 0.134 45.334 45.100 0.167 0.000 0.807 335 G HN 0.820 nan 8.290 nan 0.000 0.502 336 Y N 0.694 121.081 120.300 0.146 0.000 2.788 336 Y HA 0.324 4.874 4.550 -0.000 0.000 0.341 336 Y C -1.365 174.529 175.900 -0.011 0.000 1.258 336 Y CA -0.522 57.673 58.100 0.158 0.000 1.503 336 Y CB 0.546 39.112 38.460 0.175 0.000 1.325 336 Y HN 0.173 nan 8.280 nan 0.000 0.614 337 P HA -0.089 nan 4.420 nan 0.000 0.261 337 P C 0.123 177.425 177.300 0.004 0.000 1.183 337 P CA 0.463 63.410 63.100 -0.255 0.000 0.761 337 P CB 0.733 32.200 31.700 -0.388 0.000 0.785 338 E N 3.633 123.857 120.200 0.039 0.000 2.070 338 E HA -0.244 4.106 4.350 -0.000 0.000 0.197 338 E C 1.212 177.861 176.600 0.083 0.000 1.004 338 E CA 1.882 58.323 56.400 0.069 0.000 0.805 338 E CB -0.534 29.195 29.700 0.048 0.000 0.744 338 E HN 0.520 nan 8.360 nan 0.000 0.451 339 D N -0.684 119.781 120.400 0.108 0.000 2.392 339 D HA -0.139 4.501 4.640 -0.000 0.000 0.228 339 D C 1.456 177.799 176.300 0.073 0.000 1.003 339 D CA 0.466 54.548 54.000 0.135 0.000 0.917 339 D CB -0.105 40.835 40.800 0.234 0.000 0.890 339 D HN 0.342 nan 8.370 nan 0.000 0.532 340 L N -0.993 120.249 121.223 0.031 0.000 2.878 340 L HA 0.236 4.576 4.340 -0.000 0.000 0.253 340 L C 0.190 177.086 176.870 0.043 0.000 1.135 340 L CA -0.395 54.420 54.840 -0.042 0.000 0.943 340 L CB 0.783 42.818 42.059 -0.039 0.000 1.307 340 L HN -0.032 nan 8.230 nan 0.000 0.545 341 L N 1.624 122.922 121.223 0.124 0.000 2.260 341 L HA 0.497 4.837 4.340 -0.000 0.000 0.289 341 L C 0.386 177.235 176.870 -0.034 0.000 1.057 341 L CA -0.156 54.714 54.840 0.050 0.000 0.811 341 L CB 1.070 43.210 42.059 0.135 0.000 1.184 341 L HN -0.012 nan 8.230 nan 0.000 0.429 342 A N 4.138 126.885 122.820 -0.121 0.000 2.621 342 A HA 0.362 4.682 4.320 -0.000 0.000 0.329 342 A C 1.024 178.608 177.584 0.001 0.000 1.458 342 A CA -0.442 51.557 52.037 -0.064 0.000 1.052 342 A CB -0.198 18.724 19.000 -0.130 0.000 1.142 342 A HN 0.909 nan 8.150 nan 0.000 0.523 343 E N 1.124 121.329 120.200 0.008 0.000 2.086 343 E HA -0.204 4.146 4.350 -0.000 0.000 0.200 343 E C 0.452 177.063 176.600 0.018 0.000 1.012 343 E CA 1.981 58.381 56.400 -0.000 0.000 0.812 343 E CB 0.127 29.822 29.700 -0.007 0.000 0.743 343 E HN 0.712 nan 8.360 nan 0.000 0.453 344 D N -1.570 118.855 120.400 0.043 0.000 2.891 344 D HA 0.179 4.819 4.640 -0.000 0.000 0.312 344 D C 1.013 177.373 176.300 0.101 0.000 1.354 344 D CA 0.127 54.162 54.000 0.059 0.000 0.838 344 D CB 0.174 40.996 40.800 0.036 0.000 1.117 344 D HN 0.129 nan 8.370 nan 0.000 0.473 345 G N 0.106 109.002 108.800 0.161 0.000 2.471 345 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.219 345 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.219 345 G C 0.668 175.727 174.900 0.265 0.000 1.125 345 G CA 0.094 45.364 45.100 0.283 0.000 0.775 345 G HN 0.340 nan 8.290 nan 0.000 0.548 346 L N 2.600 123.952 121.223 0.215 0.000 2.262 346 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 346 L C -0.390 176.514 176.870 0.057 0.000 1.035 346 L CA -0.227 54.695 54.840 0.136 0.000 0.820 346 L CB 1.155 43.334 42.059 0.201 0.000 1.204 346 L HN 0.159 nan 8.230 nan 0.000 0.424 347 S N 4.309 120.010 115.700 0.003 0.000 2.501 347 S HA 0.655 5.125 4.470 -0.000 0.000 0.301 347 S C -0.511 174.069 174.600 -0.033 0.000 1.096 347 S CA -0.745 57.450 58.200 -0.008 0.000 1.063 347 S CB 2.309 65.502 63.200 -0.013 0.000 1.042 347 S HN 0.479 nan 8.310 nan 0.000 0.494 348 V N 2.079 121.983 119.914 -0.017 0.000 2.540 348 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 348 V C 1.109 177.195 176.094 -0.014 0.000 1.035 348 V CA 0.057 62.344 62.300 -0.022 0.000 0.873 348 V CB 1.429 33.249 31.823 -0.005 0.000 0.992 348 V HN 1.278 nan 8.190 nan 0.000 0.428 349 S N 3.299 118.986 115.700 -0.021 0.000 2.378 349 S HA -0.207 4.263 4.470 -0.000 0.000 0.229 349 S C 0.741 175.338 174.600 -0.004 0.000 1.052 349 S CA 1.832 60.023 58.200 -0.016 0.000 1.084 349 S CB -0.382 62.806 63.200 -0.020 0.000 0.950 349 S HN 1.045 nan 8.310 nan 0.000 0.440 350 D N 0.598 121.001 120.400 0.004 0.000 2.473 350 D HA 0.319 4.959 4.640 -0.000 0.000 0.253 350 D C -1.294 175.022 176.300 0.027 0.000 1.233 350 D CA -0.377 53.631 54.000 0.014 0.000 0.908 350 D CB 0.397 41.204 40.800 0.012 0.000 1.170 350 D HN 0.407 nan 8.370 nan 0.000 0.558 351 N N 2.738 121.456 118.700 0.031 0.000 2.535 351 N HA 0.058 4.798 4.740 -0.000 0.000 0.294 351 N C -0.077 175.464 175.510 0.052 0.000 1.408 351 N CA -0.362 52.718 53.050 0.049 0.000 0.927 351 N CB 0.395 38.912 38.487 0.051 0.000 1.276 351 N HN 0.393 nan 8.380 nan 0.000 0.505 352 S N 0.504 116.230 115.700 0.043 0.000 2.589 352 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 352 S C -2.362 172.272 174.600 0.056 0.000 1.342 352 S CA -1.033 57.192 58.200 0.042 0.000 1.005 352 S CB 0.595 63.812 63.200 0.029 0.000 0.909 352 S HN 0.140 nan 8.310 nan 0.000 0.555 353 P HA 0.053 nan 4.420 nan 0.000 0.264 353 P C -0.726 176.604 177.300 0.050 0.000 1.183 353 P CA -0.259 62.879 63.100 0.063 0.000 0.763 353 P CB 0.129 31.859 31.700 0.050 0.000 0.807 354 L N 3.572 124.829 121.223 0.056 0.000 2.270 354 L HA 0.472 4.812 4.340 -0.000 0.000 0.286 354 L C 0.191 177.063 176.870 0.003 0.000 1.059 354 L CA -0.890 53.966 54.840 0.026 0.000 0.839 354 L CB -0.213 41.862 42.059 0.025 0.000 1.221 354 L HN 0.433 nan 8.230 nan 0.000 0.431 355 A N 7.865 130.682 122.820 -0.006 0.000 2.466 355 A HA 0.470 4.790 4.320 -0.000 0.000 0.238 355 A C -2.274 175.288 177.584 -0.037 0.000 1.074 355 A CA -0.810 51.219 52.037 -0.014 0.000 0.774 355 A CB -0.719 18.273 19.000 -0.013 0.000 1.015 355 A HN 0.663 nan 8.150 nan 0.000 0.498 356 P HA 0.287 nan 4.420 nan 0.000 0.276 356 P C 0.822 178.074 177.300 -0.079 0.000 1.243 356 P CA 1.274 64.341 63.100 -0.055 0.000 0.768 356 P CB 1.027 32.708 31.700 -0.031 0.000 0.856 357 G N 2.675 111.391 108.800 -0.139 0.000 2.284 357 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 357 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 357 G C 0.139 174.935 174.900 -0.173 0.000 1.009 357 G CA -0.248 44.745 45.100 -0.178 0.000 0.625 357 G HN 0.543 nan 8.290 nan 0.000 0.501 358 E N 0.384 120.511 120.200 -0.122 0.000 2.342 358 E HA 0.582 4.932 4.350 -0.000 0.000 0.257 358 E C -0.057 176.480 176.600 -0.106 0.000 1.150 358 E CA 0.581 56.924 56.400 -0.096 0.000 0.926 358 E CB 1.196 30.861 29.700 -0.059 0.000 1.074 358 E HN 0.210 nan 8.360 nan 0.000 0.449 359 T N 0.928 115.437 114.554 -0.076 0.000 3.237 359 T HA 0.466 4.816 4.350 -0.000 0.000 0.319 359 T C -1.637 173.040 174.700 -0.039 0.000 1.037 359 T CA -0.835 61.225 62.100 -0.067 0.000 1.048 359 T CB 0.439 69.263 68.868 -0.073 0.000 1.081 359 T HN 0.579 nan 8.240 nan 0.000 0.455 360 R N 2.003 122.488 120.500 -0.026 0.000 2.795 360 R HA 0.816 5.156 4.340 -0.000 0.000 0.275 360 R C -1.175 175.123 176.300 -0.004 0.000 0.981 360 R CA -0.839 55.254 56.100 -0.012 0.000 0.917 360 R CB 1.437 31.735 30.300 -0.004 0.000 1.202 360 R HN 0.468 nan 8.270 nan 0.000 0.469 361 T N 1.194 115.746 114.554 -0.004 0.000 2.875 361 T HA 0.545 4.895 4.350 -0.000 0.000 0.284 361 T C -0.704 173.995 174.700 -0.001 0.000 0.995 361 T CA -0.664 61.435 62.100 -0.002 0.000 1.060 361 T CB 1.652 70.517 68.868 -0.006 0.000 0.967 361 T HN 0.334 nan 8.240 nan 0.000 0.476 362 V N 1.741 121.653 119.914 -0.003 0.000 3.012 362 V HA 0.352 4.472 4.120 -0.000 0.000 0.307 362 V C -1.284 174.795 176.094 -0.025 0.000 1.166 362 V CA -0.956 61.340 62.300 -0.006 0.000 0.974 362 V CB 2.584 34.415 31.823 0.012 0.000 1.040 362 V HN 0.882 nan 8.190 nan 0.000 0.428 363 D N 2.415 122.794 120.400 -0.035 0.000 2.198 363 D HA 0.563 5.203 4.640 -0.000 0.000 0.245 363 D C -0.828 175.426 176.300 -0.076 0.000 1.079 363 D CA 0.105 54.071 54.000 -0.057 0.000 0.854 363 D CB 2.215 42.983 40.800 -0.054 0.000 1.148 363 D HN 0.206 nan 8.370 nan 0.000 0.456 364 V N 2.065 121.910 119.914 -0.115 0.000 2.656 364 V HA 0.421 4.541 4.120 -0.000 0.000 0.307 364 V C -0.096 175.879 176.094 -0.198 0.000 1.051 364 V CA -0.465 61.746 62.300 -0.148 0.000 0.893 364 V CB 2.386 34.097 31.823 -0.187 0.000 0.999 364 V HN 0.522 nan 8.190 nan 0.000 0.426 365 T N 4.107 118.549 114.554 -0.187 0.000 2.930 365 T HA 0.587 4.937 4.350 -0.000 0.000 0.313 365 T C -0.100 174.434 174.700 -0.278 0.000 1.019 365 T CA -0.234 61.727 62.100 -0.232 0.000 1.004 365 T CB 1.306 70.071 68.868 -0.172 0.000 0.987 365 T HN 0.892 nan 8.240 nan 0.000 0.456 366 A N 2.726 125.260 122.820 -0.476 0.000 2.366 366 A HA 0.724 5.044 4.320 -0.000 0.000 0.272 366 A C 0.349 177.525 177.584 -0.680 0.000 1.135 366 A CA -0.406 51.077 52.037 -0.923 0.000 0.804 366 A CB 0.459 18.544 19.000 -1.526 0.000 1.064 366 A HN 0.641 nan 8.150 nan 0.000 0.499 367 S N 1.472 117.047 115.700 -0.208 0.000 2.689 367 S HA 0.561 5.031 4.470 -0.000 0.000 0.274 367 S C -1.624 173.189 174.600 0.355 0.000 1.176 367 S CA -0.503 57.736 58.200 0.064 0.000 1.014 367 S CB 0.994 64.192 63.200 -0.004 0.000 1.071 367 S HN 0.931 nan 8.310 nan 0.000 0.478 368 D N 1.827 122.447 120.400 0.366 0.000 2.766 368 D HA 0.492 5.132 4.640 -0.000 0.000 0.244 368 D C 0.686 177.154 176.300 0.279 0.000 1.198 368 D CA -0.042 54.135 54.000 0.295 0.000 0.739 368 D CB 0.884 41.834 40.800 0.249 0.000 1.379 368 D HN 0.511 nan 8.370 nan 0.000 0.437 369 A N 1.865 124.804 122.820 0.197 0.000 1.986 369 A HA -0.049 4.270 4.320 -0.000 0.000 0.220 369 A C 2.193 179.914 177.584 0.228 0.000 1.171 369 A CA 2.469 54.621 52.037 0.191 0.000 0.640 369 A CB -0.933 18.148 19.000 0.134 0.000 0.811 369 A HN 0.690 nan 8.150 nan 0.000 0.451 370 A N -1.803 121.143 122.820 0.210 0.000 1.986 370 A HA -0.230 4.090 4.320 -0.000 0.000 0.220 370 A C 1.923 179.681 177.584 0.290 0.000 1.171 370 A CA 1.621 53.785 52.037 0.212 0.000 0.640 370 A CB -0.871 18.152 19.000 0.038 0.000 0.811 370 A HN 0.878 nan 8.150 nan 0.000 0.451 371 W N 0.104 121.510 121.300 0.177 0.000 2.465 371 W HA -0.039 4.621 4.660 -0.000 0.000 0.268 371 W C 2.008 178.626 176.519 0.164 0.000 1.242 371 W CA 1.568 59.032 57.345 0.198 0.000 1.248 371 W CB 0.190 29.793 29.460 0.239 0.000 1.118 371 W HN 0.494 nan 8.180 nan 0.000 0.587 372 E N -1.342 119.030 120.200 0.288 0.000 2.206 372 E HA -0.089 4.261 4.350 -0.000 0.000 0.195 372 E C 2.075 178.726 176.600 0.085 0.000 0.935 372 E CA 0.581 57.076 56.400 0.157 0.000 0.875 372 E CB -0.052 29.786 29.700 0.231 0.000 0.841 372 E HN -0.016 nan 8.360 nan 0.000 0.477 373 V N 0.530 120.525 119.914 0.134 0.000 2.407 373 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 373 V C 1.303 177.385 176.094 -0.021 0.000 1.055 373 V CA 1.597 63.942 62.300 0.074 0.000 1.049 373 V CB -0.360 31.540 31.823 0.129 0.000 0.662 373 V HN 0.363 nan 8.190 nan 0.000 0.455 374 Y N -0.421 119.863 120.300 -0.027 0.000 2.461 374 Y HA 0.243 4.793 4.550 -0.000 0.000 0.277 374 Y C 1.342 177.176 175.900 -0.109 0.000 1.182 374 Y CA -0.237 57.831 58.100 -0.054 0.000 1.276 374 Y CB 0.070 38.505 38.460 -0.041 0.000 1.087 374 Y HN 0.182 nan 8.280 nan 0.000 0.519 375 R N -1.353 119.112 120.500 -0.057 0.000 3.951 375 R HA -0.258 4.082 4.340 -0.000 0.000 0.352 375 R C 0.932 177.078 176.300 -0.257 0.000 1.178 375 R CA 0.815 56.835 56.100 -0.133 0.000 0.949 375 R CB -2.458 27.800 30.300 -0.071 0.000 1.452 375 R HN 0.419 nan 8.270 nan 0.000 0.540 376 L N 0.553 121.524 121.223 -0.420 0.000 2.081 376 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 376 L C 2.677 178.975 176.870 -0.954 0.000 1.080 376 L CA 2.159 56.633 54.840 -0.611 0.000 0.754 376 L CB -0.795 40.782 42.059 -0.802 0.000 0.893 376 L HN 0.482 nan 8.230 nan 0.000 0.433 377 S N -0.306 114.524 115.700 -1.451 0.000 2.413 377 S HA -0.273 4.197 4.470 -0.000 0.000 0.237 377 S C 1.373 175.812 174.600 -0.269 0.000 1.044 377 S CA 1.903 59.471 58.200 -1.053 0.000 1.024 377 S CB -0.586 62.344 63.200 -0.449 0.000 0.829 377 S HN 0.435 nan 8.310 nan 0.000 0.475 378 D N 0.993 121.311 120.400 -0.136 0.000 2.371 378 D HA 0.135 4.775 4.640 -0.000 0.000 0.234 378 D C 1.499 177.894 176.300 0.158 0.000 1.049 378 D CA 0.015 54.115 54.000 0.166 0.000 0.907 378 D CB -0.321 40.599 40.800 0.201 0.000 0.891 378 D HN 0.366 nan 8.370 nan 0.000 0.531 379 I N 0.886 121.444 120.570 -0.021 0.000 2.530 379 I HA -0.226 3.944 4.170 -0.000 0.000 0.257 379 I C 1.857 178.027 176.117 0.089 0.000 1.179 379 I CA 0.591 61.899 61.300 0.013 0.000 1.440 379 I CB -0.217 37.688 38.000 -0.159 0.000 1.087 379 I HN -0.006 nan 8.210 nan 0.000 0.440 380 I N -0.088 120.539 120.570 0.095 0.000 2.756 380 I HA -0.278 3.892 4.170 -0.000 0.000 0.262 380 I C 1.573 177.573 176.117 -0.195 0.000 1.225 380 I CA 1.566 62.879 61.300 0.022 0.000 1.472 380 I CB -0.335 37.637 38.000 -0.047 0.000 1.094 380 I HN 0.166 nan 8.210 nan 0.000 0.454 381 Y N -0.485 119.882 120.300 0.112 0.000 2.478 381 Y HA 0.224 4.774 4.550 -0.000 0.000 0.261 381 Y C 0.764 176.697 175.900 0.055 0.000 1.127 381 Y CA -0.724 57.423 58.100 0.078 0.000 1.288 381 Y CB -0.379 38.121 38.460 0.066 0.000 1.084 381 Y HN 0.019 nan 8.280 nan 0.000 0.530 382 D N 2.443 122.948 120.400 0.174 0.000 2.382 382 D HA 0.045 4.685 4.640 -0.000 0.000 0.245 382 D C -1.463 174.777 176.300 -0.099 0.000 1.120 382 D CA -1.297 52.730 54.000 0.046 0.000 0.890 382 D CB 0.914 41.709 40.800 -0.010 0.000 1.201 382 D HN 0.112 nan 8.370 nan 0.000 0.433 383 P HA 0.022 nan 4.420 nan 0.000 0.249 383 P C -0.221 176.922 177.300 -0.263 0.000 1.241 383 P CA 0.459 63.472 63.100 -0.144 0.000 0.781 383 P CB 0.571 32.232 31.700 -0.065 0.000 1.088 384 D N -0.218 119.860 120.400 -0.538 0.000 2.517 384 D HA 0.054 4.694 4.640 -0.000 0.000 0.263 384 D C -0.598 175.501 176.300 -0.336 0.000 1.233 384 D CA -0.366 53.353 54.000 -0.467 0.000 0.849 384 D CB 0.319 40.729 40.800 -0.650 0.000 1.261 384 D HN -0.297 nan 8.370 nan 0.000 0.516 385 S N 2.694 118.332 115.700 -0.104 0.000 3.988 385 S HA 0.160 4.630 4.470 -0.000 0.000 0.180 385 S C 0.277 174.953 174.600 0.126 0.000 1.242 385 S CA 0.034 58.261 58.200 0.045 0.000 0.947 385 S CB -0.467 62.807 63.200 0.123 0.000 1.519 385 S HN 0.272 nan 8.310 nan 0.000 0.439 386 R N 1.468 122.052 120.500 0.140 0.000 2.686 386 R HA 0.545 4.885 4.340 -0.000 0.000 0.286 386 R C -0.554 175.924 176.300 0.297 0.000 0.969 386 R CA -0.721 55.503 56.100 0.206 0.000 0.898 386 R CB 1.411 31.802 30.300 0.152 0.000 1.183 386 R HN 0.478 nan 8.270 nan 0.000 0.456 387 F N 0.314 120.362 119.950 0.162 0.000 2.671 387 F HA 0.942 5.469 4.527 -0.000 0.000 0.373 387 F C -1.185 174.698 175.800 0.138 0.000 1.122 387 F CA -1.303 56.794 58.000 0.162 0.000 1.082 387 F CB 1.450 40.552 39.000 0.169 0.000 1.399 387 F HN 0.528 nan 8.300 nan 0.000 0.509 388 A N 0.206 122.996 122.820 -0.050 0.000 2.555 388 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 388 A C -0.848 176.821 177.584 0.141 0.000 1.060 388 A CA -0.041 51.850 52.037 -0.244 0.000 0.710 388 A CB 0.928 19.567 19.000 -0.602 0.000 1.282 388 A HN 1.825 nan 8.150 nan 0.000 0.399 389 G N -0.132 108.741 108.800 0.122 0.000 2.721 389 G HA2 0.659 4.619 3.960 -0.000 0.000 0.296 389 G HA3 0.659 4.619 3.960 -0.000 0.000 0.296 389 G C -1.651 173.217 174.900 -0.053 0.000 1.383 389 G CA -0.700 44.489 45.100 0.148 0.000 0.788 389 G HN 0.848 nan 8.290 nan 0.000 0.500 390 L N 0.412 121.632 121.223 -0.005 0.000 2.362 390 L HA 0.561 4.901 4.340 -0.000 0.000 0.275 390 L C -0.588 176.233 176.870 -0.082 0.000 0.998 390 L CA -0.697 53.996 54.840 -0.246 0.000 0.820 390 L CB 1.951 43.674 42.059 -0.560 0.000 1.270 390 L HN 0.212 nan 8.230 nan 0.000 0.415 391 L N 2.727 123.807 121.223 -0.239 0.000 2.322 391 L HA 0.534 4.874 4.340 -0.000 0.000 0.279 391 L C -1.134 175.404 176.870 -0.553 0.000 1.036 391 L CA -0.396 54.317 54.840 -0.213 0.000 0.807 391 L CB 1.646 43.624 42.059 -0.136 0.000 1.226 391 L HN 0.380 nan 8.230 nan 0.000 0.433 392 F N 2.080 121.853 119.950 -0.294 0.000 2.460 392 F HA 0.465 4.992 4.527 -0.000 0.000 0.341 392 F C -0.348 175.161 175.800 -0.485 0.000 1.130 392 F CA -0.346 57.453 58.000 -0.335 0.000 0.962 392 F CB 1.247 40.120 39.000 -0.212 0.000 1.171 392 F HN 0.132 nan 8.300 nan 0.000 0.436 393 F N 3.269 123.082 119.950 -0.228 0.000 2.443 393 F HA 0.608 5.135 4.527 -0.000 0.000 0.335 393 F C -0.592 174.965 175.800 -0.406 0.000 1.104 393 F CA -0.929 56.992 58.000 -0.132 0.000 1.013 393 F CB 1.214 40.163 39.000 -0.085 0.000 1.136 393 F HN 0.188 nan 8.300 nan 0.000 0.470 394 F N 1.399 121.467 119.950 0.197 0.000 2.507 394 F HA 0.323 4.850 4.527 -0.000 0.000 0.325 394 F C 0.068 175.943 175.800 0.125 0.000 1.116 394 F CA -1.180 56.893 58.000 0.122 0.000 0.930 394 F CB 1.314 40.360 39.000 0.077 0.000 1.146 394 F HN 0.463 nan 8.300 nan 0.000 0.447 395 D N 1.804 122.340 120.400 0.228 0.000 2.440 395 D HA 0.386 5.026 4.640 -0.000 0.000 0.269 395 D C 1.182 177.579 176.300 0.161 0.000 1.249 395 D CA -0.201 53.894 54.000 0.158 0.000 1.055 395 D CB 0.311 41.166 40.800 0.092 0.000 1.104 395 D HN 0.488 nan 8.370 nan 0.000 0.561 396 A N -0.627 122.258 122.820 0.109 0.000 1.865 396 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 396 A C 2.002 179.640 177.584 0.091 0.000 1.191 396 A CA 2.642 54.733 52.037 0.090 0.000 0.623 396 A CB -1.653 17.385 19.000 0.063 0.000 0.826 396 A HN 0.777 nan 8.150 nan 0.000 0.444 397 T N -3.604 111.001 114.554 0.085 0.000 3.317 397 T HA 0.405 4.755 4.350 -0.000 0.000 0.250 397 T C 1.220 175.986 174.700 0.109 0.000 1.106 397 T CA 0.973 63.122 62.100 0.081 0.000 0.986 397 T CB -0.354 68.550 68.868 0.061 0.000 1.010 397 T HN 1.801 nan 8.240 nan 0.000 0.560 398 G N 2.158 111.051 108.800 0.154 0.000 2.162 398 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 398 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 398 G C -0.092 174.971 174.900 0.270 0.000 0.976 398 G CA -0.022 45.213 45.100 0.225 0.000 0.655 398 G HN 0.928 nan 8.290 nan 0.000 0.533 399 N N -0.153 118.652 118.700 0.174 0.000 2.508 399 N HA 0.648 5.388 4.740 -0.000 0.000 0.285 399 N C 0.010 175.538 175.510 0.030 0.000 1.144 399 N CA -0.429 52.688 53.050 0.112 0.000 0.978 399 N CB 1.215 39.739 38.487 0.062 0.000 1.180 399 N HN 0.703 nan 8.380 nan 0.000 0.484 400 R N -0.367 120.078 120.500 -0.092 0.000 2.561 400 R HA 0.439 4.779 4.340 -0.000 0.000 0.297 400 R C -1.008 175.164 176.300 -0.213 0.000 0.969 400 R CA -0.760 55.124 56.100 -0.360 0.000 0.879 400 R CB 1.031 30.752 30.300 -0.965 0.000 1.178 400 R HN 0.412 nan 8.270 nan 0.000 0.445 401 Q N 1.224 120.926 119.800 -0.164 0.000 2.230 401 Q HA 0.448 4.788 4.340 -0.000 0.000 0.248 401 Q C -0.910 175.025 176.000 -0.108 0.000 0.915 401 Q CA -0.703 55.038 55.803 -0.104 0.000 0.900 401 Q CB 2.309 30.999 28.738 -0.080 0.000 1.229 401 Q HN 0.558 nan 8.270 nan 0.000 0.439 402 V N 3.527 123.338 119.914 -0.172 0.000 2.417 402 V HA 0.789 4.909 4.120 -0.000 0.000 0.291 402 V C -0.990 174.925 176.094 -0.298 0.000 1.024 402 V CA -0.584 61.477 62.300 -0.398 0.000 0.861 402 V CB 1.333 32.786 31.823 -0.617 0.000 0.985 402 V HN 0.623 nan 8.190 nan 0.000 0.436 403 V N 4.261 124.032 119.914 -0.240 0.000 2.769 403 V HA 0.668 4.788 4.120 -0.000 0.000 0.312 403 V C -0.586 175.387 176.094 -0.201 0.000 1.061 403 V CA -0.670 61.536 62.300 -0.156 0.000 0.931 403 V CB 1.699 33.511 31.823 -0.017 0.000 1.010 403 V HN 1.115 nan 8.190 nan 0.000 0.433 404 Q N 3.842 123.545 119.800 -0.162 0.000 2.257 404 Q HA 0.703 5.043 4.340 -0.000 0.000 0.255 404 Q C -0.757 175.231 176.000 -0.020 0.000 0.920 404 Q CA -0.765 54.960 55.803 -0.130 0.000 0.927 404 Q CB 1.662 30.349 28.738 -0.084 0.000 1.229 404 Q HN 0.949 nan 8.270 nan 0.000 0.433 405 I N 0.316 120.888 120.570 0.002 0.000 2.648 405 I HA 0.768 4.938 4.170 -0.000 0.000 0.304 405 I C -1.086 174.976 176.117 -0.093 0.000 1.009 405 I CA -0.886 60.420 61.300 0.010 0.000 1.114 405 I CB 1.995 40.029 38.000 0.056 0.000 1.293 405 I HN 0.723 nan 8.210 nan 0.000 0.449 406 D N 3.446 123.754 120.400 -0.153 0.000 2.655 406 D HA 0.858 5.497 4.640 -0.000 0.000 0.229 406 D C -1.218 174.892 176.300 -0.317 0.000 1.229 406 D CA -0.489 53.293 54.000 -0.364 0.000 0.807 406 D CB 2.200 43.021 40.800 0.036 0.000 1.514 406 D HN 1.186 nan 8.370 nan 0.000 0.444 407 A N 0.856 123.403 122.820 -0.455 0.000 2.522 407 A HA 0.676 4.996 4.320 -0.000 0.000 0.291 407 A C -3.059 174.529 177.584 0.007 0.000 1.039 407 A CA -1.214 50.740 52.037 -0.138 0.000 0.643 407 A CB 0.615 19.615 19.000 0.000 0.000 1.310 407 A HN 0.478 nan 8.150 nan 0.000 0.436 408 P HA 0.517 nan 4.420 nan 0.000 0.275 408 P C -0.953 176.543 177.300 0.326 0.000 1.228 408 P CA -0.162 63.055 63.100 0.195 0.000 0.786 408 P CB 0.710 32.491 31.700 0.135 0.000 0.927 409 L N 3.841 125.277 121.223 0.355 0.000 2.342 409 L HA 0.495 4.835 4.340 -0.000 0.000 0.276 409 L C -1.162 175.908 176.870 0.333 0.000 0.997 409 L CA -0.351 54.698 54.840 0.349 0.000 0.838 409 L CB 0.420 42.679 42.059 0.334 0.000 1.224 409 L HN 0.179 nan 8.230 nan 0.000 0.416 410 I N 7.532 128.245 120.570 0.240 0.000 2.359 410 I HA 0.474 4.644 4.170 -0.000 0.000 0.294 410 I C -1.938 174.155 176.117 -0.039 0.000 0.987 410 I CA -1.842 59.538 61.300 0.134 0.000 1.225 410 I CB 1.313 39.343 38.000 0.050 0.000 1.366 410 I HN 0.500 nan 8.210 nan 0.000 0.466 411 P HA 0.125 nan 4.420 nan 0.000 0.272 411 P C -0.906 175.834 177.300 -0.933 0.000 1.223 411 P CA -0.318 62.177 63.100 -1.010 0.000 0.784 411 P CB 1.062 32.245 31.700 -0.863 0.000 0.923 412 S N 0.360 115.417 115.700 -1.071 0.000 2.536 412 S HA 0.613 5.083 4.470 -0.000 0.000 0.287 412 S C -0.203 173.849 174.600 -0.913 0.000 1.101 412 S CA -0.536 57.148 58.200 -0.859 0.000 0.950 412 S CB 0.928 63.884 63.200 -0.406 0.000 1.056 412 S HN 0.284 nan 8.310 nan 0.000 0.481 413 F N 0.673 120.558 119.950 -0.109 0.000 2.699 413 F HA 0.399 4.926 4.527 -0.000 0.000 0.295 413 F C 0.766 176.533 175.800 -0.056 0.000 1.052 413 F CA -0.603 57.347 58.000 -0.083 0.000 1.239 413 F CB 0.006 38.963 39.000 -0.072 0.000 1.018 413 F HN 0.541 nan 8.300 nan 0.000 0.627 414 M N 0.000 119.675 119.600 0.126 0.000 2.572 414 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 414 M CA 0.000 55.341 55.300 0.068 0.000 0.988 414 M CB 0.000 32.642 32.600 0.070 0.000 1.302 414 M HN 0.000 nan 8.290 nan 0.000 0.411