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 2gl6_1_F DATA FIRST_RESID 47 DATA SEQUENCE LFPPSADYPD LRKHNNCMAE CLTPAIYAKL RNKVTPNGYT LDQCIQTGVD DATA SEQUENCE NPGHPFIKTV GMVAGDEESY EVFADLFDPV IKLRHNGYDP RVMKHTTDLD DATA SEQUENCE ASKITQGQFD EHYVLSSRVR TGRSIRGLSL PPACTRAERR EVENVAITAL DATA SEQUENCE EGLKGDLAGR YYKLSEMTEQ DQQRLIDDHF LFDKPVSPLL TCAGMARDWP DATA SEQUENCE DARGIWHNYD KTFLIWINEE DHTRVISMEK GGNMKRVFER FCRGLKEVER DATA SEQUENCE LIQERGWEFM WNERLGYILT CPSNLGTGLR AGVHVRIPKL SKDPRFSKIL DATA SEQUENCE ENLRLQKRGT GGVDTAAVAD VYDISNIDRI GRSEVELVQI VIDGVNYLVD DATA SEQUENCE CEKKLERGQD IKVPPPL 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 47 L HA 0.000 nan 4.340 nan 0.000 0.249 47 L C 0.000 176.725 176.870 -0.242 0.000 1.165 47 L CA 0.000 54.798 54.840 -0.070 0.000 0.813 47 L CB 0.000 42.059 42.059 0.001 0.000 0.961 48 F N 0.807 120.771 119.950 0.024 0.000 2.631 48 F HA 0.733 5.262 4.527 0.004 0.000 0.328 48 F C -1.970 173.851 175.800 0.035 0.000 1.067 48 F CA -2.018 55.999 58.000 0.028 0.000 0.969 48 F CB 0.570 39.590 39.000 0.032 0.000 1.332 48 F HN -0.256 nan 8.300 nan 0.000 0.490 49 P HA 0.125 nan 4.420 nan 0.000 0.268 49 P C -2.222 175.184 177.300 0.176 0.000 1.205 49 P CA -0.863 62.328 63.100 0.151 0.000 0.771 49 P CB 0.250 32.025 31.700 0.125 0.000 0.858 50 P HA -0.202 nan 4.420 nan 0.000 0.216 50 P C 1.219 178.702 177.300 0.304 0.000 1.157 50 P CA 1.792 65.007 63.100 0.191 0.000 0.880 50 P CB -0.192 31.578 31.700 0.118 0.000 0.791 51 S N -0.842 114.988 115.700 0.218 0.000 2.474 51 S HA -0.059 4.413 4.470 0.004 0.000 0.235 51 S C 1.960 176.630 174.600 0.117 0.000 0.997 51 S CA 0.976 59.282 58.200 0.176 0.000 0.949 51 S CB -0.881 62.358 63.200 0.064 0.000 0.766 51 S HN 0.172 nan 8.310 nan 0.000 0.517 52 A N 1.645 124.533 122.820 0.114 0.000 2.019 52 A HA -0.127 4.195 4.320 0.004 0.000 0.219 52 A C 1.632 179.206 177.584 -0.017 0.000 1.164 52 A CA 1.278 53.341 52.037 0.044 0.000 0.644 52 A CB -0.241 18.812 19.000 0.088 0.000 0.805 52 A HN 0.338 nan 8.150 nan 0.000 0.449 53 D N -2.302 118.136 120.400 0.064 0.000 2.349 53 D HA 0.065 4.707 4.640 0.004 0.000 0.214 53 D C -0.334 175.817 176.300 -0.247 0.000 1.063 53 D CA -0.158 53.846 54.000 0.006 0.000 0.847 53 D CB -0.056 40.867 40.800 0.204 0.000 0.933 53 D HN 0.481 nan 8.370 nan 0.000 0.513 54 Y N 3.669 123.710 120.300 -0.433 0.000 2.721 54 Y HA 0.023 4.575 4.550 0.003 0.000 0.329 54 Y C -1.801 173.784 175.900 -0.526 0.000 1.211 54 Y CA -1.515 56.132 58.100 -0.754 0.000 1.512 54 Y CB 0.358 38.571 38.460 -0.412 0.000 1.249 54 Y HN -0.042 nan 8.280 nan 0.000 0.549 55 P HA 0.005 nan 4.420 nan 0.000 0.271 55 P C -1.021 175.967 177.300 -0.520 0.000 1.218 55 P CA -0.213 62.483 63.100 -0.674 0.000 0.780 55 P CB 0.794 32.090 31.700 -0.674 0.000 0.901 56 D N 2.325 122.531 120.400 -0.323 0.000 2.393 56 D HA 0.117 4.759 4.640 0.004 0.000 0.232 56 D C 0.305 176.376 176.300 -0.381 0.000 1.192 56 D CA -0.056 53.807 54.000 -0.227 0.000 0.882 56 D CB -0.247 40.479 40.800 -0.123 0.000 1.038 56 D HN 0.234 nan 8.370 nan 0.000 0.499 57 L N 3.499 124.494 121.223 -0.381 0.000 2.872 57 L HA 0.293 4.636 4.340 0.004 0.000 0.245 57 L C 0.938 177.741 176.870 -0.112 0.000 1.211 57 L CA -0.436 54.069 54.840 -0.558 0.000 1.013 57 L CB 0.010 41.823 42.059 -0.410 0.000 1.326 57 L HN 0.075 nan 8.230 nan 0.000 0.525 58 R N 1.379 121.876 120.500 -0.005 0.000 2.570 58 R HA 0.050 4.392 4.340 0.004 0.000 0.277 58 R C 0.462 176.885 176.300 0.204 0.000 1.039 58 R CA 0.077 56.225 56.100 0.079 0.000 1.065 58 R CB 0.165 30.491 30.300 0.042 0.000 0.964 58 R HN 0.148 nan 8.270 nan 0.000 0.428 59 K N 0.178 120.652 120.400 0.122 0.000 3.209 59 K HA -0.227 4.095 4.320 0.004 0.000 0.289 59 K C -0.872 175.752 176.600 0.039 0.000 1.191 59 K CA 0.972 57.298 56.287 0.065 0.000 0.851 59 K CB -1.479 31.029 32.500 0.013 0.000 1.242 59 K HN 0.620 nan 8.250 nan 0.000 0.480 60 H N 0.857 119.910 119.070 -0.029 0.000 2.594 60 H HA 0.280 4.838 4.556 0.004 0.000 0.304 60 H C 0.085 175.400 175.328 -0.021 0.000 1.068 60 H CA -0.811 55.219 56.048 -0.030 0.000 1.308 60 H CB 1.056 30.791 29.762 -0.044 0.000 1.409 60 H HN 0.153 nan 8.280 nan 0.000 0.460 61 N N 3.281 122.007 118.700 0.044 0.000 3.114 61 N HA 0.059 4.801 4.740 0.004 0.000 0.289 61 N C -1.387 174.142 175.510 0.030 0.000 1.519 61 N CA -0.688 52.379 53.050 0.030 0.000 1.026 61 N CB -0.186 38.303 38.487 0.005 0.000 1.306 61 N HN 0.743 nan 8.380 nan 0.000 0.495 62 N N -0.961 117.767 118.700 0.046 0.000 2.357 62 N HA 0.283 5.026 4.740 0.004 0.000 0.284 62 N C 0.278 175.806 175.510 0.030 0.000 1.236 62 N CA -0.826 52.246 53.050 0.036 0.000 0.774 62 N CB 0.666 39.180 38.487 0.045 0.000 1.534 62 N HN -0.051 nan 8.380 nan 0.000 0.478 63 C N -0.372 118.942 119.300 0.023 0.000 2.413 63 C HA -0.085 4.377 4.460 0.004 0.000 0.277 63 C C 2.536 177.538 174.990 0.019 0.000 1.265 63 C CA 0.497 59.531 59.018 0.025 0.000 1.752 63 C CB -1.059 26.701 27.740 0.034 0.000 1.998 63 C HN 0.796 nan 8.230 nan 0.000 0.489 64 M N 1.863 121.466 119.600 0.006 0.000 2.086 64 M HA -0.111 4.372 4.480 0.004 0.000 0.261 64 M C 2.339 178.620 176.300 -0.031 0.000 1.067 64 M CA 2.472 57.755 55.300 -0.028 0.000 1.116 64 M CB -0.959 31.606 32.600 -0.058 0.000 1.348 64 M HN 0.340 nan 8.290 nan 0.000 0.407 65 A N 0.007 122.816 122.820 -0.019 0.000 1.969 65 A HA -0.158 4.164 4.320 0.004 0.000 0.218 65 A C 1.830 179.414 177.584 -0.000 0.000 1.169 65 A CA 1.671 53.691 52.037 -0.029 0.000 0.635 65 A CB -0.697 18.315 19.000 0.020 0.000 0.810 65 A HN 0.722 nan 8.150 nan 0.000 0.445 66 E N -1.475 118.735 120.200 0.016 0.000 2.358 66 E HA -0.061 4.291 4.350 0.004 0.000 0.195 66 E C 1.372 177.988 176.600 0.027 0.000 1.010 66 E CA 0.776 57.190 56.400 0.024 0.000 0.856 66 E CB -0.121 29.594 29.700 0.025 0.000 0.795 66 E HN 0.692 nan 8.360 nan 0.000 0.504 67 C N -0.068 119.247 119.300 0.025 0.000 2.964 67 C HA 0.236 4.698 4.460 0.004 0.000 0.358 67 C C 0.767 175.783 174.990 0.043 0.000 1.289 67 C CA -0.823 58.216 59.018 0.034 0.000 1.856 67 C CB -0.258 27.504 27.740 0.036 0.000 2.488 67 C HN 0.293 nan 8.230 nan 0.000 0.604 68 L N 3.301 124.543 121.223 0.031 0.000 2.499 68 L HA 0.326 4.668 4.340 0.004 0.000 0.273 68 L C 0.568 177.527 176.870 0.148 0.000 1.195 68 L CA 1.359 56.239 54.840 0.067 0.000 0.882 68 L CB 0.381 42.434 42.059 -0.010 0.000 1.133 68 L HN 0.461 nan 8.230 nan 0.000 0.483 69 T N 1.802 116.470 114.554 0.191 0.000 2.924 69 T HA 0.560 4.912 4.350 0.004 0.000 0.291 69 T C -2.057 172.776 174.700 0.222 0.000 1.045 69 T CA -1.792 60.413 62.100 0.175 0.000 1.015 69 T CB 1.653 70.569 68.868 0.080 0.000 1.103 69 T HN 0.369 nan 8.240 nan 0.000 0.496 70 P HA -0.133 nan 4.420 nan 0.000 0.216 70 P C 1.691 179.005 177.300 0.023 0.000 1.154 70 P CA 1.977 64.922 63.100 -0.259 0.000 0.865 70 P CB -0.248 31.215 31.700 -0.395 0.000 0.789 71 A N -0.611 122.224 122.820 0.025 0.000 1.883 71 A HA -0.200 4.123 4.320 0.004 0.000 0.217 71 A C 2.138 179.773 177.584 0.086 0.000 1.186 71 A CA 1.666 53.731 52.037 0.046 0.000 0.624 71 A CB -1.523 17.494 19.000 0.029 0.000 0.822 71 A HN 0.037 nan 8.150 nan 0.000 0.444 72 I N -1.787 118.852 120.570 0.115 0.000 2.163 72 I HA -0.211 3.962 4.170 0.004 0.000 0.240 72 I C 2.410 178.607 176.117 0.133 0.000 1.081 72 I CA 1.543 62.911 61.300 0.114 0.000 1.353 72 I CB -1.659 36.409 38.000 0.113 0.000 1.054 72 I HN 0.523 nan 8.210 nan 0.000 0.407 73 Y N 2.080 122.451 120.300 0.118 0.000 2.114 73 Y HA -0.285 4.267 4.550 0.004 0.000 0.282 73 Y C 2.646 178.604 175.900 0.097 0.000 1.165 73 Y CA 2.231 60.404 58.100 0.122 0.000 1.148 73 Y CB -0.309 38.325 38.460 0.290 0.000 0.972 73 Y HN 0.143 nan 8.280 nan 0.000 0.504 74 A N -0.117 122.806 122.820 0.172 0.000 1.930 74 A HA -0.192 4.130 4.320 0.004 0.000 0.217 74 A C 2.283 179.868 177.584 0.002 0.000 1.175 74 A CA 1.782 53.867 52.037 0.081 0.000 0.627 74 A CB -0.694 18.367 19.000 0.101 0.000 0.815 74 A HN 0.520 nan 8.150 nan 0.000 0.443 75 K N -0.437 119.972 120.400 0.015 0.000 2.097 75 K HA 0.029 4.351 4.320 0.004 0.000 0.205 75 K C 1.554 178.156 176.600 0.004 0.000 1.050 75 K CA 1.194 57.490 56.287 0.015 0.000 0.938 75 K CB -0.172 32.348 32.500 0.033 0.000 0.718 75 K HN 0.495 nan 8.250 nan 0.000 0.442 76 L N -0.159 121.052 121.223 -0.020 0.000 2.513 76 L HA 0.107 4.449 4.340 0.004 0.000 0.222 76 L C 2.487 179.328 176.870 -0.048 0.000 1.096 76 L CA 0.004 54.872 54.840 0.046 0.000 0.857 76 L CB -0.240 41.892 42.059 0.122 0.000 1.026 76 L HN 0.165 nan 8.230 nan 0.000 0.469 77 R N 1.104 121.426 120.500 -0.298 0.000 2.103 77 R HA -0.174 4.168 4.340 0.004 0.000 0.242 77 R C 1.293 177.518 176.300 -0.124 0.000 1.142 77 R CA 1.703 57.568 56.100 -0.392 0.000 0.960 77 R CB 0.023 30.040 30.300 -0.472 0.000 0.858 77 R HN 0.386 nan 8.270 nan 0.000 0.439 78 N N 0.587 119.262 118.700 -0.042 0.000 2.336 78 N HA 0.013 4.756 4.740 0.004 0.000 0.189 78 N C -0.428 175.111 175.510 0.048 0.000 1.113 78 N CA 0.392 53.447 53.050 0.009 0.000 0.858 78 N CB 0.457 38.951 38.487 0.011 0.000 0.970 78 N HN 0.191 nan 8.380 nan 0.000 0.471 79 K N 0.826 121.284 120.400 0.096 0.000 2.185 79 K HA 0.364 4.687 4.320 0.004 0.000 0.271 79 K C -0.012 176.697 176.600 0.180 0.000 1.013 79 K CA -0.382 55.961 56.287 0.094 0.000 0.943 79 K CB 1.733 34.255 32.500 0.038 0.000 0.998 79 K HN -0.159 nan 8.250 nan 0.000 0.468 80 V N -1.770 118.189 119.914 0.075 0.000 3.007 80 V HA 0.483 4.605 4.120 0.004 0.000 0.311 80 V C -0.051 176.057 176.094 0.024 0.000 1.120 80 V CA -1.104 61.275 62.300 0.131 0.000 0.980 80 V CB 1.495 33.383 31.823 0.108 0.000 1.033 80 V HN 0.924 nan 8.190 nan 0.000 0.429 81 T N -0.516 114.091 114.554 0.089 0.000 2.849 81 T HA 0.505 4.858 4.350 0.004 0.000 0.284 81 T C -1.618 173.122 174.700 0.067 0.000 1.004 81 T CA -1.324 60.803 62.100 0.046 0.000 1.021 81 T CB 1.029 69.974 68.868 0.128 0.000 1.013 81 T HN 0.587 nan 8.240 nan 0.000 0.527 82 P HA -0.080 nan 4.420 nan 0.000 0.217 82 P C 0.976 178.319 177.300 0.071 0.000 1.148 82 P CA 0.974 64.103 63.100 0.049 0.000 0.834 82 P CB -0.051 31.673 31.700 0.040 0.000 0.783 83 N N -1.982 116.776 118.700 0.096 0.000 2.398 83 N HA 0.123 4.865 4.740 0.004 0.000 0.188 83 N C 1.155 176.750 175.510 0.143 0.000 1.122 83 N CA 0.980 54.098 53.050 0.112 0.000 0.866 83 N CB -0.289 38.269 38.487 0.118 0.000 0.970 83 N HN 0.105 nan 8.380 nan 0.000 0.462 84 G N -0.425 108.465 108.800 0.149 0.000 2.141 84 G HA2 -0.310 3.653 3.960 0.004 0.000 0.242 84 G HA3 -0.310 3.653 3.960 0.004 0.000 0.242 84 G C -0.172 174.847 174.900 0.198 0.000 0.982 84 G CA -0.201 44.986 45.100 0.145 0.000 0.662 84 G HN 0.395 nan 8.290 nan 0.000 0.527 85 Y N 2.618 122.997 120.300 0.132 0.000 2.425 85 Y HA 0.471 5.023 4.550 0.003 0.000 0.331 85 Y C 1.272 177.331 175.900 0.266 0.000 1.157 85 Y CA 0.755 58.956 58.100 0.168 0.000 1.372 85 Y CB 0.836 39.409 38.460 0.189 0.000 1.253 85 Y HN 0.425 nan 8.280 nan 0.000 0.536 86 T N 2.695 117.081 114.554 -0.280 0.000 2.940 86 T HA 0.265 4.617 4.350 0.004 0.000 0.288 86 T C 0.620 174.926 174.700 -0.655 0.000 1.045 86 T CA -0.896 61.094 62.100 -0.184 0.000 1.018 86 T CB 1.374 70.117 68.868 -0.209 0.000 1.151 86 T HN 0.620 nan 8.240 nan 0.000 0.529 87 L N 0.768 121.509 121.223 -0.804 0.000 2.017 87 L HA 0.013 4.356 4.340 0.004 0.000 0.208 87 L C 1.916 178.450 176.870 -0.560 0.000 1.073 87 L CA 2.069 56.287 54.840 -1.037 0.000 0.745 87 L CB -1.061 40.566 42.059 -0.721 0.000 0.894 87 L HN 0.749 nan 8.230 nan 0.000 0.432 88 D N -0.755 119.431 120.400 -0.355 0.000 2.123 88 D HA -0.224 4.418 4.640 0.004 0.000 0.196 88 D C 2.224 178.373 176.300 -0.250 0.000 0.992 88 D CA 1.377 55.253 54.000 -0.206 0.000 0.833 88 D CB -0.113 40.615 40.800 -0.120 0.000 0.954 88 D HN 0.526 nan 8.370 nan 0.000 0.455 89 Q N -0.369 119.197 119.800 -0.391 0.000 2.084 89 Q HA -0.125 4.217 4.340 0.004 0.000 0.202 89 Q C 2.495 178.352 176.000 -0.239 0.000 0.978 89 Q CA 1.172 56.727 55.803 -0.414 0.000 0.844 89 Q CB -0.198 27.993 28.738 -0.913 0.000 0.898 89 Q HN 0.327 nan 8.270 nan 0.000 0.426 90 C N 0.797 119.916 119.300 -0.302 0.000 2.413 90 C HA -0.158 4.304 4.460 0.004 0.000 0.277 90 C C 2.550 177.478 174.990 -0.104 0.000 1.228 90 C CA 1.021 60.016 59.018 -0.038 0.000 1.731 90 C CB -1.050 26.534 27.740 -0.259 0.000 2.042 90 C HN 0.645 nan 8.230 nan 0.000 0.468 91 I N -0.209 120.243 120.570 -0.196 0.000 3.564 91 I HA -0.000 4.172 4.170 0.004 0.000 0.294 91 I C 2.244 178.306 176.117 -0.092 0.000 1.289 91 I CA 0.899 62.109 61.300 -0.151 0.000 1.325 91 I CB -0.655 37.241 38.000 -0.174 0.000 1.039 91 I HN 0.216 nan 8.210 nan 0.000 0.474 92 Q N 1.789 121.543 119.800 -0.076 0.000 2.061 92 Q HA -0.235 4.108 4.340 0.004 0.000 0.204 92 Q C 2.335 178.325 176.000 -0.017 0.000 0.984 92 Q CA 3.028 58.800 55.803 -0.051 0.000 0.846 92 Q CB -0.787 27.928 28.738 -0.039 0.000 0.902 92 Q HN 0.528 nan 8.270 nan 0.000 0.421 93 T N -1.356 113.201 114.554 0.006 0.000 2.833 93 T HA -0.100 4.252 4.350 0.004 0.000 0.269 93 T C 1.509 176.227 174.700 0.030 0.000 1.054 93 T CA 1.516 63.631 62.100 0.025 0.000 1.135 93 T CB -0.624 68.268 68.868 0.041 0.000 0.869 93 T HN 0.547 nan 8.240 nan 0.000 0.466 94 G N 0.162 108.973 108.800 0.018 0.000 2.403 94 G HA2 -0.071 3.891 3.960 0.004 0.000 0.216 94 G HA3 -0.071 3.891 3.960 0.004 0.000 0.216 94 G C 1.671 176.628 174.900 0.096 0.000 1.154 94 G CA 0.843 45.967 45.100 0.040 0.000 0.784 94 G HN 0.490 nan 8.290 nan 0.000 0.538 95 V N 1.461 121.386 119.914 0.019 0.000 2.358 95 V HA -0.120 4.003 4.120 0.004 0.000 0.246 95 V C 2.407 178.595 176.094 0.156 0.000 1.047 95 V CA 2.103 64.407 62.300 0.006 0.000 1.035 95 V CB -0.311 31.453 31.823 -0.099 0.000 0.658 95 V HN 0.248 nan 8.190 nan 0.000 0.452 96 D N -0.230 120.214 120.400 0.073 0.000 2.234 96 D HA -0.025 4.617 4.640 0.004 0.000 0.205 96 D C 0.831 177.146 176.300 0.026 0.000 0.962 96 D CA 0.723 54.753 54.000 0.051 0.000 0.855 96 D CB -0.172 40.640 40.800 0.019 0.000 0.951 96 D HN 0.404 nan 8.370 nan 0.000 0.500 97 N N 1.607 120.326 118.700 0.031 0.000 2.816 97 N HA 0.116 4.859 4.740 0.004 0.000 0.236 97 N C -1.915 173.553 175.510 -0.070 0.000 1.076 97 N CA -1.054 51.988 53.050 -0.014 0.000 0.902 97 N CB 2.176 40.682 38.487 0.031 0.000 1.149 97 N HN 0.032 nan 8.380 nan 0.000 0.506 98 P HA -0.054 nan 4.420 nan 0.000 0.218 98 P C 0.697 177.875 177.300 -0.203 0.000 1.149 98 P CA 1.047 63.820 63.100 -0.545 0.000 0.817 98 P CB 0.712 31.913 31.700 -0.831 0.000 0.785 99 G N -2.105 106.618 108.800 -0.129 0.000 2.866 99 G HA2 0.454 4.416 3.960 0.004 0.000 0.289 99 G HA3 0.454 4.416 3.960 0.004 0.000 0.289 99 G C -1.984 172.927 174.900 0.019 0.000 1.396 99 G CA -0.274 44.796 45.100 -0.050 0.000 0.848 99 G HN 0.108 nan 8.290 nan 0.000 0.515 100 H N -0.225 118.801 119.070 -0.073 0.000 2.806 100 H HA 0.370 4.929 4.556 0.004 0.000 0.367 100 H C -1.789 173.456 175.328 -0.138 0.000 1.136 100 H CA -1.418 54.590 56.048 -0.067 0.000 1.178 100 H CB 2.859 32.617 29.762 -0.005 0.000 1.718 100 H HN 0.196 nan 8.280 nan 0.000 0.540 101 P HA -0.075 nan 4.420 nan 0.000 0.219 101 P C 0.287 177.096 177.300 -0.817 0.000 1.146 101 P CA 1.303 63.910 63.100 -0.821 0.000 0.808 101 P CB 0.162 31.147 31.700 -1.192 0.000 0.779 102 F N -2.174 117.831 119.950 0.093 0.000 2.729 102 F HA 0.299 4.829 4.527 0.004 0.000 0.304 102 F C 1.256 177.187 175.800 0.218 0.000 1.008 102 F CA -0.524 57.591 58.000 0.192 0.000 1.188 102 F CB 0.055 39.171 39.000 0.193 0.000 0.980 102 F HN -0.227 nan 8.300 nan 0.000 0.627 103 I N -1.798 119.058 120.570 0.478 0.000 3.108 103 I HA 0.617 4.789 4.170 0.004 0.000 0.312 103 I C -0.559 175.616 176.117 0.095 0.000 1.095 103 I CA -1.483 59.918 61.300 0.169 0.000 1.000 103 I CB 1.853 39.868 38.000 0.024 0.000 1.229 103 I HN -0.227 nan 8.210 nan 0.000 0.454 104 K N 2.553 122.971 120.400 0.030 0.000 2.276 104 K HA 0.385 4.707 4.320 0.004 0.000 0.285 104 K C -0.362 176.227 176.600 -0.018 0.000 1.062 104 K CA -0.042 56.252 56.287 0.012 0.000 0.918 104 K CB 0.604 33.103 32.500 -0.002 0.000 1.055 104 K HN 0.830 nan 8.250 nan 0.000 0.477 105 T N 0.371 114.922 114.554 -0.006 0.000 2.918 105 T HA 0.224 4.576 4.350 0.004 0.000 0.283 105 T C 1.143 175.845 174.700 0.003 0.000 1.001 105 T CA -0.942 61.146 62.100 -0.019 0.000 1.041 105 T CB 1.481 70.347 68.868 -0.005 0.000 1.028 105 T HN 0.214 nan 8.240 nan 0.000 0.511 106 V N 1.338 121.260 119.914 0.013 0.000 2.407 106 V HA 0.187 4.310 4.120 0.004 0.000 0.245 106 V C 2.343 178.459 176.094 0.037 0.000 1.041 106 V CA 1.652 63.976 62.300 0.039 0.000 1.040 106 V CB -1.565 30.307 31.823 0.082 0.000 0.671 106 V HN 1.408 nan 8.190 nan 0.000 0.455 107 G N 0.919 109.740 108.800 0.035 0.000 2.160 107 G HA2 -0.290 3.672 3.960 0.004 0.000 0.251 107 G HA3 -0.290 3.672 3.960 0.004 0.000 0.251 107 G C 0.043 174.944 174.900 0.001 0.000 1.008 107 G CA 0.728 45.843 45.100 0.025 0.000 0.724 107 G HN 0.784 nan 8.290 nan 0.000 0.514 108 M N -2.212 117.403 119.600 0.025 0.000 2.562 108 M HA 0.734 5.216 4.480 0.004 0.000 0.281 108 M C -0.673 175.704 176.300 0.129 0.000 1.195 108 M CA -0.960 54.344 55.300 0.008 0.000 0.888 108 M CB 2.321 34.827 32.600 -0.156 0.000 1.731 108 M HN 0.986 nan 8.290 nan 0.000 0.493 109 V N -0.743 119.270 119.914 0.165 0.000 3.040 109 V HA 1.053 5.175 4.120 0.004 0.000 0.312 109 V C -0.553 175.712 176.094 0.285 0.000 1.115 109 V CA -0.429 62.004 62.300 0.221 0.000 0.998 109 V CB 1.448 33.357 31.823 0.143 0.000 1.042 109 V HN 1.255 nan 8.190 nan 0.000 0.433 110 A N 1.230 124.102 122.820 0.088 0.000 2.301 110 A HA 0.766 5.088 4.320 0.004 0.000 0.312 110 A C 1.071 178.477 177.584 -0.296 0.000 1.182 110 A CA 0.063 52.018 52.037 -0.137 0.000 0.826 110 A CB 1.084 19.729 19.000 -0.592 0.000 1.134 110 A HN 1.803 nan 8.150 nan 0.000 0.501 111 G N 0.891 109.212 108.800 -0.799 0.000 2.603 111 G HA2 0.350 4.312 3.960 0.004 0.000 0.214 111 G HA3 0.350 4.312 3.960 0.004 0.000 0.214 111 G C 0.011 174.610 174.900 -0.502 0.000 1.140 111 G CA 0.916 45.277 45.100 -1.233 0.000 0.800 111 G HN 0.870 nan 8.290 nan 0.000 0.533 112 D N -2.689 117.539 120.400 -0.286 0.000 2.643 112 D HA 0.170 4.813 4.640 0.004 0.000 0.283 112 D C 0.646 176.945 176.300 -0.001 0.000 1.242 112 D CA -0.761 53.193 54.000 -0.077 0.000 0.863 112 D CB 0.697 41.492 40.800 -0.008 0.000 1.382 112 D HN -0.076 nan 8.370 nan 0.000 0.444 113 E N -0.600 119.637 120.200 0.063 0.000 2.110 113 E HA -0.229 4.123 4.350 0.004 0.000 0.193 113 E C 0.864 177.527 176.600 0.104 0.000 0.988 113 E CA 1.335 57.802 56.400 0.112 0.000 0.804 113 E CB 0.125 29.885 29.700 0.099 0.000 0.745 113 E HN 0.464 nan 8.360 nan 0.000 0.458 114 E N -0.038 120.198 120.200 0.061 0.000 2.268 114 E HA -0.079 4.274 4.350 0.004 0.000 0.195 114 E C 1.979 178.588 176.600 0.016 0.000 0.995 114 E CA 0.756 57.176 56.400 0.033 0.000 0.836 114 E CB 0.024 29.736 29.700 0.020 0.000 0.763 114 E HN 0.078 nan 8.360 nan 0.000 0.491 115 S N 0.037 115.766 115.700 0.049 0.000 2.374 115 S HA -0.197 4.275 4.470 0.004 0.000 0.227 115 S C 1.435 176.096 174.600 0.101 0.000 1.037 115 S CA 1.138 59.445 58.200 0.179 0.000 1.024 115 S CB -0.386 62.945 63.200 0.218 0.000 0.861 115 S HN 0.361 nan 8.310 nan 0.000 0.456 116 Y N 1.624 121.830 120.300 -0.157 0.000 2.333 116 Y HA -0.114 4.439 4.550 0.004 0.000 0.290 116 Y C 2.533 178.418 175.900 -0.026 0.000 1.144 116 Y CA 1.322 59.225 58.100 -0.328 0.000 1.228 116 Y CB -0.230 37.979 38.460 -0.418 0.000 0.985 116 Y HN 0.405 nan 8.280 nan 0.000 0.542 117 E N -0.251 120.007 120.200 0.097 0.000 2.042 117 E HA -0.109 4.243 4.350 0.004 0.000 0.189 117 E C 2.137 178.723 176.600 -0.024 0.000 0.974 117 E CA 1.170 57.592 56.400 0.038 0.000 0.806 117 E CB -0.189 29.511 29.700 -0.001 0.000 0.769 117 E HN 0.208 nan 8.360 nan 0.000 0.451 118 V N 0.614 120.426 119.914 -0.169 0.000 2.407 118 V HA -0.189 3.933 4.120 0.004 0.000 0.248 118 V C 1.270 177.086 176.094 -0.464 0.000 1.055 118 V CA 1.442 63.485 62.300 -0.428 0.000 1.049 118 V CB -0.438 30.931 31.823 -0.757 0.000 0.662 118 V HN 0.268 nan 8.190 nan 0.000 0.455 119 F N -0.345 119.722 119.950 0.195 0.000 2.772 119 F HA 0.567 5.096 4.527 0.003 0.000 0.302 119 F C 1.697 177.672 175.800 0.292 0.000 1.136 119 F CA -0.243 57.870 58.000 0.189 0.000 1.322 119 F CB -0.896 38.196 39.000 0.152 0.000 0.967 119 F HN -0.005 nan 8.300 nan 0.000 0.513 120 A N -0.024 123.000 122.820 0.341 0.000 1.948 120 A HA -0.221 4.101 4.320 0.004 0.000 0.220 120 A C 2.010 179.736 177.584 0.237 0.000 1.177 120 A CA 2.144 54.364 52.037 0.306 0.000 0.636 120 A CB -0.503 18.597 19.000 0.167 0.000 0.815 120 A HN 0.239 nan 8.150 nan 0.000 0.449 121 D N -1.147 119.357 120.400 0.173 0.000 2.309 121 D HA -0.074 4.569 4.640 0.004 0.000 0.212 121 D C 1.572 177.940 176.300 0.114 0.000 0.968 121 D CA 0.919 54.993 54.000 0.123 0.000 0.882 121 D CB 0.008 40.865 40.800 0.095 0.000 0.918 121 D HN 0.414 nan 8.370 nan 0.000 0.503 122 L N -1.381 119.911 121.223 0.115 0.000 2.362 122 L HA 0.175 4.517 4.340 0.004 0.000 0.204 122 L C 1.647 178.543 176.870 0.043 0.000 1.060 122 L CA 0.789 55.645 54.840 0.026 0.000 0.827 122 L CB -0.486 41.514 42.059 -0.098 0.000 1.027 122 L HN -0.193 nan 8.230 nan 0.000 0.474 123 F N 0.892 120.931 119.950 0.148 0.000 2.126 123 F HA -0.216 4.313 4.527 0.003 0.000 0.299 123 F C 2.236 178.143 175.800 0.178 0.000 1.096 123 F CA 1.743 59.853 58.000 0.184 0.000 1.255 123 F CB -0.681 38.478 39.000 0.266 0.000 0.997 123 F HN 0.182 nan 8.300 nan 0.000 0.479 124 D N 0.372 120.972 120.400 0.332 0.000 2.087 124 D HA -0.146 4.497 4.640 0.004 0.000 0.192 124 D C -0.348 176.053 176.300 0.169 0.000 0.993 124 D CA 1.779 55.909 54.000 0.217 0.000 0.828 124 D CB -2.065 38.823 40.800 0.146 0.000 0.968 124 D HN 0.180 nan 8.370 nan 0.000 0.448 125 P HA -0.069 nan 4.420 nan 0.000 0.219 125 P C 1.812 179.184 177.300 0.120 0.000 1.146 125 P CA 0.684 63.847 63.100 0.104 0.000 0.808 125 P CB 0.128 31.875 31.700 0.078 0.000 0.779 126 V N 0.196 120.197 119.914 0.146 0.000 2.358 126 V HA -0.199 3.924 4.120 0.004 0.000 0.246 126 V C 2.643 178.860 176.094 0.205 0.000 1.047 126 V CA 1.475 63.864 62.300 0.148 0.000 1.035 126 V CB -0.946 30.959 31.823 0.137 0.000 0.658 126 V HN -0.006 nan 8.190 nan 0.000 0.452 127 I N -0.140 120.600 120.570 0.284 0.000 2.286 127 I HA -0.265 3.907 4.170 0.004 0.000 0.248 127 I C 2.536 178.860 176.117 0.344 0.000 1.115 127 I CA 1.740 63.262 61.300 0.369 0.000 1.392 127 I CB -0.349 37.847 38.000 0.325 0.000 1.065 127 I HN 0.267 nan 8.210 nan 0.000 0.418 128 K N 0.886 121.421 120.400 0.225 0.000 2.057 128 K HA -0.201 4.121 4.320 0.004 0.000 0.206 128 K C 2.196 178.881 176.600 0.141 0.000 1.050 128 K CA 1.248 57.637 56.287 0.171 0.000 0.935 128 K CB -0.021 32.536 32.500 0.095 0.000 0.715 128 K HN 0.110 nan 8.250 nan 0.000 0.439 129 L N 1.371 122.661 121.223 0.112 0.000 2.056 129 L HA -0.077 4.265 4.340 0.004 0.000 0.207 129 L C 2.358 179.251 176.870 0.039 0.000 1.078 129 L CA 1.612 56.492 54.840 0.068 0.000 0.749 129 L CB -0.485 41.607 42.059 0.056 0.000 0.901 129 L HN 0.080 nan 8.230 nan 0.000 0.433 130 R N -0.917 119.602 120.500 0.031 0.000 2.148 130 R HA -0.067 4.275 4.340 0.004 0.000 0.223 130 R C 0.864 176.997 176.300 -0.279 0.000 1.088 130 R CA 1.485 57.502 56.100 -0.138 0.000 0.985 130 R CB -0.377 29.808 30.300 -0.193 0.000 0.880 130 R HN 0.538 nan 8.270 nan 0.000 0.451 131 H N -0.254 118.865 119.070 0.081 0.000 2.502 131 H HA 0.200 4.758 4.556 0.004 0.000 0.268 131 H C -0.372 175.013 175.328 0.095 0.000 1.177 131 H CA -0.338 55.757 56.048 0.078 0.000 0.961 131 H CB -0.188 29.624 29.762 0.084 0.000 1.737 131 H HN 0.146 nan 8.280 nan 0.000 0.569 132 N N 1.136 119.911 118.700 0.125 0.000 2.725 132 N HA -0.229 4.513 4.740 0.004 0.000 0.251 132 N C 1.232 176.813 175.510 0.119 0.000 1.031 132 N CA 1.264 54.371 53.050 0.096 0.000 0.720 132 N CB -1.096 37.438 38.487 0.079 0.000 0.930 132 N HN 0.873 nan 8.380 nan 0.000 0.543 133 G N -1.423 107.453 108.800 0.127 0.000 2.195 133 G HA2 -0.369 3.593 3.960 0.004 0.000 0.246 133 G HA3 -0.369 3.593 3.960 0.004 0.000 0.246 133 G C 0.050 175.016 174.900 0.110 0.000 0.984 133 G CA 0.187 45.345 45.100 0.097 0.000 0.633 133 G HN 0.749 nan 8.290 nan 0.000 0.525 134 Y N 2.364 122.711 120.300 0.078 0.000 2.650 134 Y HA 0.441 4.994 4.550 0.004 0.000 0.331 134 Y C -0.037 175.893 175.900 0.050 0.000 1.165 134 Y CA 0.250 58.384 58.100 0.057 0.000 1.473 134 Y CB 0.753 39.240 38.460 0.045 0.000 1.224 134 Y HN 0.116 nan 8.280 nan 0.000 0.533 135 D N 9.272 129.293 120.400 -0.633 0.000 2.462 135 D HA 0.250 4.892 4.640 0.004 0.000 0.245 135 D C -2.120 173.845 176.300 -0.557 0.000 1.122 135 D CA -2.433 51.342 54.000 -0.376 0.000 0.864 135 D CB 1.852 42.528 40.800 -0.207 0.000 1.098 135 D HN 0.329 nan 8.370 nan 0.000 0.541 136 P HA -0.037 nan 4.420 nan 0.000 0.226 136 P C 1.008 178.243 177.300 -0.109 0.000 1.153 136 P CA 0.434 63.442 63.100 -0.152 0.000 0.777 136 P CB 0.543 32.277 31.700 0.057 0.000 0.794 137 R N -0.624 119.821 120.500 -0.091 0.000 2.148 137 R HA 0.042 4.384 4.340 0.004 0.000 0.223 137 R C 1.772 178.025 176.300 -0.078 0.000 1.088 137 R CA 0.822 56.888 56.100 -0.057 0.000 0.985 137 R CB -0.263 30.019 30.300 -0.029 0.000 0.880 137 R HN 0.120 nan 8.270 nan 0.000 0.451 138 V N -0.401 119.436 119.914 -0.127 0.000 3.562 138 V HA 0.213 4.335 4.120 0.004 0.000 0.270 138 V C 0.398 176.411 176.094 -0.136 0.000 1.418 138 V CA 0.432 62.664 62.300 -0.113 0.000 1.033 138 V CB 0.404 32.165 31.823 -0.103 0.000 0.820 138 V HN 0.120 nan 8.190 nan 0.000 0.441 139 M N -0.194 119.266 119.600 -0.233 0.000 2.724 139 M HA 0.519 5.002 4.480 0.004 0.000 0.310 139 M C -0.739 175.528 176.300 -0.055 0.000 1.217 139 M CA -0.400 54.777 55.300 -0.206 0.000 0.894 139 M CB 2.506 34.828 32.600 -0.462 0.000 1.719 139 M HN -0.117 nan 8.290 nan 0.000 0.479 140 K N 0.085 120.538 120.400 0.088 0.000 2.281 140 K HA 0.485 4.807 4.320 0.004 0.000 0.242 140 K C -1.342 175.424 176.600 0.277 0.000 0.971 140 K CA -0.890 55.487 56.287 0.151 0.000 0.834 140 K CB 2.017 34.553 32.500 0.060 0.000 1.181 140 K HN 0.606 nan 8.250 nan 0.000 0.435 141 H N 0.069 119.197 119.070 0.097 0.000 2.459 141 H HA 0.293 4.851 4.556 0.004 0.000 0.332 141 H C -1.171 174.179 175.328 0.037 0.000 1.094 141 H CA -0.157 55.889 56.048 -0.003 0.000 1.224 141 H CB 1.263 30.913 29.762 -0.188 0.000 1.449 141 H HN 0.353 nan 8.280 nan 0.000 0.484 142 T N 4.857 118.973 114.554 -0.731 0.000 2.794 142 T HA 0.271 4.623 4.350 0.004 0.000 0.280 142 T C -0.314 174.049 174.700 -0.562 0.000 0.987 142 T CA -0.710 61.131 62.100 -0.432 0.000 0.993 142 T CB 1.007 69.761 68.868 -0.189 0.000 0.939 142 T HN 0.654 nan 8.240 nan 0.000 0.449 143 T N 3.159 117.620 114.554 -0.155 0.000 2.837 143 T HA 0.453 4.805 4.350 0.004 0.000 0.285 143 T C -0.524 174.213 174.700 0.061 0.000 0.984 143 T CA -0.521 61.619 62.100 0.067 0.000 1.049 143 T CB 0.748 69.752 68.868 0.227 0.000 0.947 143 T HN 0.541 nan 8.240 nan 0.000 0.472 144 D N 2.834 123.302 120.400 0.112 0.000 2.323 144 D HA 0.201 4.843 4.640 0.004 0.000 0.242 144 D C -0.186 176.220 176.300 0.177 0.000 1.347 144 D CA -0.432 53.633 54.000 0.109 0.000 0.988 144 D CB 0.670 41.520 40.800 0.084 0.000 1.314 144 D HN 0.369 nan 8.370 nan 0.000 0.564 145 L N 2.165 123.463 121.223 0.125 0.000 2.848 145 L HA 0.250 4.592 4.340 0.004 0.000 0.240 145 L C 0.486 177.348 176.870 -0.013 0.000 1.232 145 L CA -0.207 54.687 54.840 0.090 0.000 1.031 145 L CB 0.197 42.266 42.059 0.017 0.000 1.338 145 L HN 0.190 nan 8.230 nan 0.000 0.509 146 D N 1.004 121.430 120.400 0.043 0.000 2.483 146 D HA 0.200 4.842 4.640 0.004 0.000 0.220 146 D C 1.238 177.552 176.300 0.024 0.000 1.173 146 D CA -0.010 53.995 54.000 0.007 0.000 0.964 146 D CB 1.433 42.251 40.800 0.030 0.000 1.046 146 D HN 0.223 nan 8.370 nan 0.000 0.517 147 A N 2.505 125.244 122.820 -0.135 0.000 2.076 147 A HA -0.173 4.149 4.320 0.004 0.000 0.220 147 A C 2.191 179.800 177.584 0.042 0.000 1.160 147 A CA 1.393 53.345 52.037 -0.141 0.000 0.653 147 A CB -0.244 18.533 19.000 -0.372 0.000 0.801 147 A HN 0.520 nan 8.150 nan 0.000 0.455 148 S N 0.041 115.748 115.700 0.012 0.000 2.419 148 S HA -0.154 4.319 4.470 0.004 0.000 0.235 148 S C 1.645 176.276 174.600 0.052 0.000 1.019 148 S CA 1.494 59.709 58.200 0.025 0.000 0.982 148 S CB -0.190 63.015 63.200 0.007 0.000 0.789 148 S HN 0.696 nan 8.310 nan 0.000 0.490 149 K N 0.489 120.936 120.400 0.079 0.000 2.432 149 K HA 0.102 4.424 4.320 0.004 0.000 0.196 149 K C -0.127 176.526 176.600 0.089 0.000 1.038 149 K CA 0.446 56.780 56.287 0.079 0.000 0.986 149 K CB 0.048 32.601 32.500 0.089 0.000 0.782 149 K HN 0.296 nan 8.250 nan 0.000 0.485 150 I N 2.705 123.352 120.570 0.128 0.000 2.282 150 I HA -0.011 4.161 4.170 0.004 0.000 0.290 150 I C 1.451 177.607 176.117 0.066 0.000 1.090 150 I CA 0.342 61.707 61.300 0.108 0.000 1.231 150 I CB 0.406 38.522 38.000 0.194 0.000 1.434 150 I HN 0.107 nan 8.210 nan 0.000 0.487 151 T N 1.897 116.472 114.554 0.035 0.000 3.035 151 T HA 0.025 4.378 4.350 0.004 0.000 0.259 151 T C 0.706 175.408 174.700 0.003 0.000 1.078 151 T CA 0.382 62.494 62.100 0.019 0.000 1.132 151 T CB 0.518 69.395 68.868 0.015 0.000 0.900 151 T HN 0.533 nan 8.240 nan 0.000 0.480 152 Q N -0.202 119.592 119.800 -0.011 0.000 2.305 152 Q HA 0.553 4.895 4.340 0.004 0.000 0.271 152 Q C -1.475 174.475 176.000 -0.084 0.000 1.046 152 Q CA -0.811 54.969 55.803 -0.038 0.000 0.798 152 Q CB 1.859 30.580 28.738 -0.028 0.000 1.286 152 Q HN 0.436 nan 8.270 nan 0.000 0.435 153 G N 2.940 111.655 108.800 -0.143 0.000 4.193 153 G HA2 0.233 4.195 3.960 0.004 0.000 0.265 153 G HA3 0.233 4.195 3.960 0.004 0.000 0.265 153 G C -1.777 172.896 174.900 -0.378 0.000 3.257 153 G CA -0.307 44.617 45.100 -0.294 0.000 0.596 153 G HN 0.376 nan 8.290 nan 0.000 0.281 154 Q N 1.146 120.716 119.800 -0.385 0.000 2.294 154 Q HA 0.704 5.046 4.340 0.004 0.000 0.264 154 Q C -1.204 174.646 176.000 -0.250 0.000 0.992 154 Q CA -0.710 54.924 55.803 -0.282 0.000 0.747 154 Q CB 0.916 29.590 28.738 -0.107 0.000 1.262 154 Q HN 0.184 nan 8.270 nan 0.000 0.452 155 F N 0.989 120.959 119.950 0.033 0.000 2.370 155 F HA 0.292 4.821 4.527 0.004 0.000 0.319 155 F C 0.922 176.756 175.800 0.056 0.000 1.129 155 F CA -0.680 57.346 58.000 0.043 0.000 1.109 155 F CB 0.546 39.576 39.000 0.051 0.000 1.262 155 F HN 0.472 nan 8.300 nan 0.000 0.534 156 D N 1.470 122.053 120.400 0.303 0.000 2.346 156 D HA -0.007 4.636 4.640 0.004 0.000 0.260 156 D C 0.489 176.940 176.300 0.251 0.000 1.252 156 D CA 0.277 54.429 54.000 0.253 0.000 0.895 156 D CB 0.430 41.417 40.800 0.311 0.000 1.097 156 D HN 0.604 nan 8.370 nan 0.000 0.489 157 E N 2.247 122.502 120.200 0.092 0.000 2.502 157 E HA -0.090 4.262 4.350 0.004 0.000 0.194 157 E C 0.760 177.315 176.600 -0.075 0.000 1.062 157 E CA 0.164 56.575 56.400 0.018 0.000 0.867 157 E CB 0.097 29.775 29.700 -0.037 0.000 0.888 157 E HN 0.652 nan 8.360 nan 0.000 0.510 158 H N -1.359 117.750 119.070 0.065 0.000 2.495 158 H HA -0.068 4.490 4.556 0.004 0.000 0.287 158 H C 0.830 175.948 175.328 -0.350 0.000 1.033 158 H CA 1.218 57.180 56.048 -0.143 0.000 1.307 158 H CB 0.236 29.878 29.762 -0.199 0.000 1.401 158 H HN 0.219 nan 8.280 nan 0.000 0.555 159 Y N -1.109 119.264 120.300 0.122 0.000 2.576 159 Y HA 0.172 4.724 4.550 0.004 0.000 0.282 159 Y C 0.767 176.692 175.900 0.043 0.000 1.139 159 Y CA -0.203 57.939 58.100 0.069 0.000 1.265 159 Y CB 0.506 38.995 38.460 0.049 0.000 1.376 159 Y HN -0.184 nan 8.280 nan 0.000 0.511 160 V N 3.303 123.341 119.914 0.206 0.000 2.455 160 V HA 0.027 4.149 4.120 0.004 0.000 0.273 160 V C 0.607 176.765 176.094 0.107 0.000 1.045 160 V CA 0.263 62.635 62.300 0.120 0.000 0.976 160 V CB 0.934 32.829 31.823 0.120 0.000 0.993 160 V HN 0.344 nan 8.190 nan 0.000 0.475 161 L N 3.801 125.079 121.223 0.091 0.000 2.515 161 L HA 0.275 4.617 4.340 0.004 0.000 0.223 161 L C 0.754 177.660 176.870 0.060 0.000 1.079 161 L CA 0.321 55.204 54.840 0.073 0.000 0.857 161 L CB 0.240 42.344 42.059 0.076 0.000 1.050 161 L HN 0.790 nan 8.230 nan 0.000 0.476 162 S N -1.823 113.904 115.700 0.044 0.000 2.565 162 S HA 0.633 5.105 4.470 0.004 0.000 0.269 162 S C -0.760 173.836 174.600 -0.006 0.000 1.153 162 S CA -0.706 57.488 58.200 -0.010 0.000 0.835 162 S CB 2.300 65.424 63.200 -0.128 0.000 1.122 162 S HN -0.072 nan 8.310 nan 0.000 0.462 163 S N 0.481 116.192 115.700 0.020 0.000 2.538 163 S HA 0.793 5.265 4.470 0.004 0.000 0.288 163 S C -0.857 173.755 174.600 0.020 0.000 1.108 163 S CA -0.803 57.435 58.200 0.063 0.000 0.971 163 S CB 1.668 64.958 63.200 0.150 0.000 1.041 163 S HN 0.813 nan 8.310 nan 0.000 0.483 164 R N 1.880 122.374 120.500 -0.010 0.000 2.604 164 R HA 0.736 5.078 4.340 0.004 0.000 0.281 164 R C -2.129 174.134 176.300 -0.061 0.000 1.020 164 R CA -0.470 55.613 56.100 -0.028 0.000 0.899 164 R CB 1.327 31.577 30.300 -0.084 0.000 1.205 164 R HN 0.481 nan 8.270 nan 0.000 0.450 165 V N 4.059 123.925 119.914 -0.079 0.000 2.588 165 V HA 0.642 4.764 4.120 0.004 0.000 0.304 165 V C -0.983 174.961 176.094 -0.249 0.000 1.042 165 V CA -0.840 61.292 62.300 -0.280 0.000 0.877 165 V CB 1.752 33.263 31.823 -0.520 0.000 0.996 165 V HN 0.907 nan 8.190 nan 0.000 0.425 166 R N 1.818 122.170 120.500 -0.247 0.000 2.808 166 R HA 0.920 5.262 4.340 0.004 0.000 0.272 166 R C -0.704 175.628 176.300 0.054 0.000 0.995 166 R CA -0.430 55.656 56.100 -0.025 0.000 0.917 166 R CB 1.880 32.122 30.300 -0.096 0.000 1.217 166 R HN 0.626 nan 8.270 nan 0.000 0.471 167 T N -0.945 113.749 114.554 0.233 0.000 2.654 167 T HA 0.845 5.197 4.350 0.004 0.000 0.289 167 T C -1.164 173.566 174.700 0.050 0.000 1.062 167 T CA -0.407 61.788 62.100 0.158 0.000 1.041 167 T CB 1.423 70.459 68.868 0.280 0.000 1.417 167 T HN 0.965 nan 8.240 nan 0.000 0.510 168 G N 0.861 109.662 108.800 0.001 0.000 2.619 168 G HA2 0.731 4.693 3.960 0.004 0.000 0.296 168 G HA3 0.731 4.693 3.960 0.004 0.000 0.296 168 G C -1.760 173.083 174.900 -0.096 0.000 1.334 168 G CA -0.623 44.463 45.100 -0.023 0.000 0.934 168 G HN 0.590 nan 8.290 nan 0.000 0.476 169 R N -0.006 120.452 120.500 -0.071 0.000 2.651 169 R HA 0.623 4.965 4.340 0.004 0.000 0.278 169 R C -1.142 175.245 176.300 0.145 0.000 1.010 169 R CA -0.722 55.332 56.100 -0.076 0.000 0.896 169 R CB 2.096 32.197 30.300 -0.332 0.000 1.211 169 R HN 0.500 nan 8.270 nan 0.000 0.456 170 S N 2.663 118.504 115.700 0.236 0.000 2.472 170 S HA 0.503 4.975 4.470 0.004 0.000 0.303 170 S C 0.204 175.095 174.600 0.485 0.000 1.099 170 S CA -0.790 57.557 58.200 0.245 0.000 1.077 170 S CB 1.206 64.383 63.200 -0.038 0.000 1.031 170 S HN 0.295 nan 8.310 nan 0.000 0.487 171 I N 2.940 123.862 120.570 0.587 0.000 2.416 171 I HA 0.255 4.427 4.170 0.004 0.000 0.288 171 I C 0.935 177.246 176.117 0.324 0.000 1.051 171 I CA -0.219 61.247 61.300 0.277 0.000 1.375 171 I CB 0.107 38.068 38.000 -0.065 0.000 1.407 171 I HN 0.617 nan 8.210 nan 0.000 0.516 172 R N 3.963 124.636 120.500 0.288 0.000 2.543 172 R HA 0.394 4.736 4.340 0.004 0.000 0.277 172 R C 0.945 177.417 176.300 0.287 0.000 1.074 172 R CA 0.920 57.176 56.100 0.260 0.000 1.076 172 R CB 0.459 30.880 30.300 0.202 0.000 0.993 172 R HN 0.939 nan 8.270 nan 0.000 0.459 173 G N 3.031 111.965 108.800 0.223 0.000 2.176 173 G HA2 -0.216 3.747 3.960 0.004 0.000 0.232 173 G HA3 -0.216 3.747 3.960 0.004 0.000 0.232 173 G C -0.303 174.720 174.900 0.206 0.000 0.986 173 G CA -0.063 45.154 45.100 0.196 0.000 0.643 173 G HN 0.475 nan 8.290 nan 0.000 0.522 174 L N 1.644 123.003 121.223 0.226 0.000 2.365 174 L HA 0.634 4.976 4.340 0.004 0.000 0.273 174 L C 0.678 177.694 176.870 0.244 0.000 1.000 174 L CA -0.926 54.019 54.840 0.176 0.000 0.819 174 L CB 2.040 44.109 42.059 0.016 0.000 1.284 174 L HN 0.090 nan 8.230 nan 0.000 0.418 175 S N 2.344 118.147 115.700 0.172 0.000 2.573 175 S HA 0.321 4.793 4.470 0.004 0.000 0.277 175 S C 0.129 174.873 174.600 0.240 0.000 1.346 175 S CA -0.461 57.822 58.200 0.139 0.000 1.034 175 S CB 0.425 63.672 63.200 0.078 0.000 0.879 175 S HN 0.293 nan 8.310 nan 0.000 0.528 176 L N 2.971 124.221 121.223 0.045 0.000 2.466 176 L HA 0.208 4.550 4.340 0.004 0.000 0.257 176 L C -1.394 175.493 176.870 0.029 0.000 1.189 176 L CA -1.913 52.897 54.840 -0.049 0.000 0.813 176 L CB -0.020 41.952 42.059 -0.145 0.000 1.118 176 L HN 0.421 nan 8.230 nan 0.000 0.471 177 P HA -0.156 nan 4.420 nan 0.000 0.218 177 P C -1.548 175.790 177.300 0.063 0.000 1.152 177 P CA 1.559 64.707 63.100 0.080 0.000 0.857 177 P CB -0.688 31.055 31.700 0.072 0.000 0.787 178 P HA -0.076 nan 4.420 nan 0.000 0.220 178 P C 0.849 178.218 177.300 0.115 0.000 1.148 178 P CA 1.891 65.036 63.100 0.075 0.000 0.803 178 P CB -0.339 31.402 31.700 0.067 0.000 0.782 179 A N -1.928 120.912 122.820 0.033 0.000 2.498 179 A HA 0.167 4.489 4.320 0.004 0.000 0.238 179 A C 0.784 178.423 177.584 0.090 0.000 1.225 179 A CA -0.103 51.991 52.037 0.096 0.000 0.978 179 A CB -0.790 18.195 19.000 -0.025 0.000 1.142 179 A HN 0.327 nan 8.150 nan 0.000 0.552 180 C N 1.817 121.165 119.300 0.080 0.000 2.644 180 C HA 0.579 5.041 4.460 0.004 0.000 0.417 180 C C 1.209 176.247 174.990 0.080 0.000 1.304 180 C CA -0.028 59.042 59.018 0.087 0.000 2.035 180 C CB -0.718 27.083 27.740 0.103 0.000 2.673 180 C HN 0.615 nan 8.230 nan 0.000 0.602 181 T N 1.158 115.754 114.554 0.070 0.000 2.726 181 T HA 0.265 4.618 4.350 0.004 0.000 0.294 181 T C 1.128 175.857 174.700 0.049 0.000 1.013 181 T CA -0.287 61.850 62.100 0.061 0.000 0.996 181 T CB 0.454 69.356 68.868 0.056 0.000 1.016 181 T HN 0.796 nan 8.240 nan 0.000 0.529 182 R N 0.121 120.647 120.500 0.044 0.000 2.096 182 R HA -0.021 4.321 4.340 0.004 0.000 0.235 182 R C 2.799 179.110 176.300 0.019 0.000 1.127 182 R CA 1.256 57.376 56.100 0.033 0.000 0.968 182 R CB -0.880 29.439 30.300 0.032 0.000 0.861 182 R HN 0.812 nan 8.270 nan 0.000 0.440 183 A N 1.270 124.102 122.820 0.021 0.000 1.877 183 A HA -0.199 4.123 4.320 0.004 0.000 0.216 183 A C 1.901 179.485 177.584 0.001 0.000 1.186 183 A CA 1.364 53.409 52.037 0.013 0.000 0.620 183 A CB -0.361 18.653 19.000 0.023 0.000 0.822 183 A HN 0.305 nan 8.150 nan 0.000 0.443 184 E N -0.872 119.334 120.200 0.010 0.000 2.058 184 E HA -0.236 4.116 4.350 0.004 0.000 0.194 184 E C 2.355 178.917 176.600 -0.063 0.000 0.997 184 E CA 1.338 57.733 56.400 -0.010 0.000 0.801 184 E CB -0.183 29.532 29.700 0.025 0.000 0.746 184 E HN 0.576 nan 8.360 nan 0.000 0.450 185 R N 0.892 121.374 120.500 -0.032 0.000 2.075 185 R HA -0.108 4.234 4.340 0.004 0.000 0.232 185 R C 2.300 178.558 176.300 -0.071 0.000 1.126 185 R CA 1.276 57.349 56.100 -0.045 0.000 0.963 185 R CB 0.027 30.334 30.300 0.012 0.000 0.858 185 R HN 0.014 nan 8.270 nan 0.000 0.435 186 R N 0.011 120.484 120.500 -0.046 0.000 2.096 186 R HA -0.175 4.168 4.340 0.004 0.000 0.235 186 R C 2.211 178.453 176.300 -0.096 0.000 1.127 186 R CA 1.744 57.813 56.100 -0.051 0.000 0.968 186 R CB -0.204 30.082 30.300 -0.024 0.000 0.861 186 R HN 0.245 nan 8.270 nan 0.000 0.440 187 E N 0.467 120.602 120.200 -0.107 0.000 2.051 187 E HA -0.146 4.206 4.350 0.004 0.000 0.192 187 E C 1.779 178.198 176.600 -0.302 0.000 0.991 187 E CA 1.324 57.632 56.400 -0.154 0.000 0.799 187 E CB -0.070 29.571 29.700 -0.098 0.000 0.748 187 E HN 0.049 nan 8.360 nan 0.000 0.449 188 V N 1.041 120.752 119.914 -0.339 0.000 2.332 188 V HA -0.278 3.844 4.120 0.004 0.000 0.248 188 V C 2.465 178.362 176.094 -0.328 0.000 1.055 188 V CA 2.317 64.352 62.300 -0.441 0.000 1.038 188 V CB -0.652 30.866 31.823 -0.508 0.000 0.651 188 V HN 0.427 nan 8.190 nan 0.000 0.450 189 E N 0.486 120.551 120.200 -0.226 0.000 2.051 189 E HA -0.304 4.048 4.350 0.004 0.000 0.192 189 E C 2.113 178.543 176.600 -0.283 0.000 0.991 189 E CA 1.760 58.034 56.400 -0.211 0.000 0.799 189 E CB -0.210 29.428 29.700 -0.104 0.000 0.748 189 E HN 0.619 nan 8.360 nan 0.000 0.449 190 N N -0.087 118.477 118.700 -0.226 0.000 2.120 190 N HA -0.147 4.595 4.740 0.004 0.000 0.188 190 N C 1.740 177.097 175.510 -0.255 0.000 1.024 190 N CA 1.443 54.370 53.050 -0.204 0.000 0.852 190 N CB -0.118 38.291 38.487 -0.129 0.000 1.003 190 N HN 0.053 nan 8.380 nan 0.000 0.424 191 V N 0.551 120.247 119.914 -0.363 0.000 2.343 191 V HA -0.165 3.957 4.120 0.004 0.000 0.247 191 V C 2.373 178.238 176.094 -0.380 0.000 1.051 191 V CA 1.812 63.824 62.300 -0.480 0.000 1.036 191 V CB -1.146 30.092 31.823 -0.975 0.000 0.654 191 V HN 0.471 nan 8.190 nan 0.000 0.451 192 A N -0.088 122.514 122.820 -0.363 0.000 1.858 192 A HA -0.173 4.150 4.320 0.004 0.000 0.216 192 A C 2.211 179.595 177.584 -0.334 0.000 1.190 192 A CA 1.891 53.740 52.037 -0.312 0.000 0.617 192 A CB -0.582 18.257 19.000 -0.269 0.000 0.827 192 A HN 0.446 nan 8.150 nan 0.000 0.443 193 I N -0.191 120.142 120.570 -0.396 0.000 2.113 193 I HA -0.321 3.852 4.170 0.004 0.000 0.242 193 I C 2.651 178.648 176.117 -0.199 0.000 1.064 193 I CA 2.116 63.197 61.300 -0.365 0.000 1.320 193 I CB -0.597 37.190 38.000 -0.356 0.000 1.028 193 I HN 0.330 nan 8.210 nan 0.000 0.406 194 T N 0.539 114.990 114.554 -0.172 0.000 2.737 194 T HA -0.124 4.229 4.350 0.004 0.000 0.265 194 T C 1.994 176.636 174.700 -0.097 0.000 1.038 194 T CA 1.336 63.375 62.100 -0.103 0.000 1.144 194 T CB -0.372 68.447 68.868 -0.081 0.000 0.866 194 T HN 0.492 nan 8.240 nan 0.000 0.434 195 A N 1.453 124.191 122.820 -0.135 0.000 1.877 195 A HA 0.031 4.353 4.320 0.004 0.000 0.216 195 A C 2.271 179.766 177.584 -0.148 0.000 1.186 195 A CA 1.181 53.146 52.037 -0.121 0.000 0.620 195 A CB -0.917 18.002 19.000 -0.136 0.000 0.822 195 A HN 0.480 nan 8.150 nan 0.000 0.443 196 L N -0.592 120.486 121.223 -0.242 0.000 2.353 196 L HA -0.161 4.181 4.340 0.004 0.000 0.220 196 L C 2.240 179.061 176.870 -0.081 0.000 1.133 196 L CA 1.053 55.676 54.840 -0.362 0.000 0.798 196 L CB -0.518 41.052 42.059 -0.815 0.000 0.922 196 L HN 0.483 nan 8.230 nan 0.000 0.445 197 E N 0.025 120.219 120.200 -0.011 0.000 2.338 197 E HA -0.124 4.229 4.350 0.004 0.000 0.197 197 E C 2.076 178.708 176.600 0.053 0.000 1.007 197 E CA 0.708 57.148 56.400 0.066 0.000 0.849 197 E CB -0.065 29.656 29.700 0.036 0.000 0.774 197 E HN 0.535 nan 8.360 nan 0.000 0.506 198 G N 0.517 109.325 108.800 0.013 0.000 2.813 198 G HA2 0.009 3.971 3.960 0.004 0.000 0.209 198 G HA3 0.009 3.971 3.960 0.004 0.000 0.209 198 G C 0.570 175.487 174.900 0.028 0.000 1.150 198 G CA -0.263 44.844 45.100 0.012 0.000 0.785 198 G HN 0.027 nan 8.290 nan 0.000 0.535 199 L N 0.681 121.937 121.223 0.055 0.000 2.453 199 L HA 0.306 4.648 4.340 0.004 0.000 0.272 199 L C 0.366 177.313 176.870 0.128 0.000 1.182 199 L CA 0.397 55.297 54.840 0.100 0.000 0.858 199 L CB 0.830 43.007 42.059 0.197 0.000 1.120 199 L HN 0.035 nan 8.230 nan 0.000 0.474 200 K N 1.121 121.573 120.400 0.087 0.000 2.433 200 K HA 0.709 5.031 4.320 0.004 0.000 0.252 200 K C 0.263 176.896 176.600 0.056 0.000 1.015 200 K CA -0.239 56.087 56.287 0.065 0.000 0.860 200 K CB 1.979 34.497 32.500 0.031 0.000 1.359 200 K HN 0.697 nan 8.250 nan 0.000 0.452 201 G N 1.632 110.458 108.800 0.042 0.000 2.550 201 G HA2 -0.348 3.614 3.960 0.004 0.000 0.277 201 G HA3 -0.348 3.614 3.960 0.004 0.000 0.277 201 G C 0.340 175.270 174.900 0.050 0.000 1.190 201 G CA 0.714 45.833 45.100 0.031 0.000 0.971 201 G HN 0.872 nan 8.290 nan 0.000 0.559 202 D N 0.853 121.278 120.400 0.042 0.000 2.371 202 D HA 0.068 4.710 4.640 0.004 0.000 0.221 202 D C 2.175 178.534 176.300 0.099 0.000 0.986 202 D CA 1.187 55.224 54.000 0.062 0.000 0.899 202 D CB -0.151 40.673 40.800 0.040 0.000 0.902 202 D HN 0.508 nan 8.370 nan 0.000 0.530 203 L N -0.303 120.986 121.223 0.109 0.000 2.640 203 L HA 0.364 4.706 4.340 0.004 0.000 0.230 203 L C 1.076 178.177 176.870 0.385 0.000 1.123 203 L CA -0.350 54.627 54.840 0.228 0.000 0.900 203 L CB 0.017 42.126 42.059 0.082 0.000 1.146 203 L HN -0.039 nan 8.230 nan 0.000 0.484 204 A N 0.564 123.530 122.820 0.243 0.000 2.477 204 A HA 0.533 4.855 4.320 0.004 0.000 0.246 204 A C 0.525 178.226 177.584 0.195 0.000 1.078 204 A CA 0.682 52.871 52.037 0.254 0.000 0.770 204 A CB 0.094 19.173 19.000 0.132 0.000 1.011 204 A HN 0.298 nan 8.150 nan 0.000 0.494 205 G N 1.336 110.262 108.800 0.210 0.000 2.749 205 G HA2 0.652 4.614 3.960 0.004 0.000 0.300 205 G HA3 0.652 4.614 3.960 0.004 0.000 0.300 205 G C -1.019 173.730 174.900 -0.252 0.000 1.352 205 G CA -0.884 44.033 45.100 -0.306 0.000 0.789 205 G HN 0.772 nan 8.290 nan 0.000 0.509 206 R N -1.056 119.084 120.500 -0.600 0.000 2.807 206 R HA 0.413 4.755 4.340 0.004 0.000 0.276 206 R C -1.740 174.243 176.300 -0.527 0.000 0.979 206 R CA -0.797 55.030 56.100 -0.455 0.000 0.928 206 R CB 2.607 32.543 30.300 -0.607 0.000 1.191 206 R HN 0.535 nan 8.270 nan 0.000 0.471 207 Y N 1.549 121.659 120.300 -0.316 0.000 2.320 207 Y HA 0.317 4.869 4.550 0.004 0.000 0.334 207 Y C -1.284 174.374 175.900 -0.403 0.000 1.055 207 Y CA -0.849 57.195 58.100 -0.094 0.000 1.143 207 Y CB 0.745 39.278 38.460 0.122 0.000 1.193 207 Y HN 0.419 nan 8.280 nan 0.000 0.477 208 Y N 5.080 124.952 120.300 -0.713 0.000 2.376 208 Y HA 0.378 4.930 4.550 0.004 0.000 0.326 208 Y C -0.045 175.379 175.900 -0.793 0.000 0.970 208 Y CA -1.133 56.623 58.100 -0.574 0.000 1.248 208 Y CB 1.092 39.365 38.460 -0.312 0.000 1.117 208 Y HN 0.404 nan 8.280 nan 0.000 0.476 209 K N 3.581 123.675 120.400 -0.510 0.000 2.412 209 K HA 0.108 4.430 4.320 0.004 0.000 0.281 209 K C 0.806 177.315 176.600 -0.150 0.000 1.027 209 K CA -0.050 56.076 56.287 -0.268 0.000 0.989 209 K CB 0.864 33.313 32.500 -0.085 0.000 0.935 209 K HN 0.787 nan 8.250 nan 0.000 0.475 210 L N 1.882 123.023 121.223 -0.137 0.000 2.141 210 L HA -0.195 4.147 4.340 0.004 0.000 0.209 210 L C 2.323 179.088 176.870 -0.175 0.000 1.094 210 L CA 1.392 56.132 54.840 -0.167 0.000 0.763 210 L CB -0.474 41.435 42.059 -0.251 0.000 0.908 210 L HN 0.762 nan 8.230 nan 0.000 0.437 211 S N -0.842 114.758 115.700 -0.168 0.000 2.442 211 S HA -0.167 4.305 4.470 0.004 0.000 0.236 211 S C 1.403 175.958 174.600 -0.075 0.000 1.007 211 S CA 0.893 59.015 58.200 -0.130 0.000 0.965 211 S CB -0.227 62.910 63.200 -0.105 0.000 0.773 211 S HN 0.532 nan 8.310 nan 0.000 0.504 212 E N 0.002 120.164 120.200 -0.063 0.000 2.481 212 E HA 0.323 4.675 4.350 0.004 0.000 0.198 212 E C 0.057 176.642 176.600 -0.024 0.000 1.027 212 E CA -0.232 56.147 56.400 -0.035 0.000 0.900 212 E CB 0.284 29.968 29.700 -0.026 0.000 0.993 212 E HN 0.546 nan 8.360 nan 0.000 0.482 213 M N 2.231 121.807 119.600 -0.041 0.000 2.209 213 M HA 0.147 4.630 4.480 0.004 0.000 0.355 213 M C 0.086 176.365 176.300 -0.034 0.000 1.171 213 M CA -0.463 54.816 55.300 -0.034 0.000 1.069 213 M CB 1.098 33.662 32.600 -0.060 0.000 1.622 213 M HN -0.057 nan 8.290 nan 0.000 0.459 214 T N 0.365 114.904 114.554 -0.025 0.000 2.926 214 T HA 0.067 4.419 4.350 0.004 0.000 0.307 214 T C 0.816 175.503 174.700 -0.021 0.000 1.059 214 T CA -0.389 61.700 62.100 -0.019 0.000 1.122 214 T CB 0.993 69.852 68.868 -0.016 0.000 0.972 214 T HN 0.813 nan 8.240 nan 0.000 0.545 215 E N 0.923 121.119 120.200 -0.007 0.000 2.097 215 E HA -0.232 4.121 4.350 0.004 0.000 0.196 215 E C 2.206 178.797 176.600 -0.015 0.000 1.000 215 E CA 1.855 58.256 56.400 0.001 0.000 0.804 215 E CB -0.384 29.324 29.700 0.013 0.000 0.740 215 E HN 0.889 nan 8.360 nan 0.000 0.454 216 Q N -0.170 119.617 119.800 -0.020 0.000 2.050 216 Q HA -0.194 4.148 4.340 0.004 0.000 0.202 216 Q C 1.413 177.386 176.000 -0.044 0.000 0.980 216 Q CA 1.951 57.736 55.803 -0.029 0.000 0.840 216 Q CB -0.102 28.622 28.738 -0.024 0.000 0.898 216 Q HN 0.262 nan 8.270 nan 0.000 0.424 217 D N 0.059 120.430 120.400 -0.048 0.000 2.117 217 D HA -0.162 4.481 4.640 0.004 0.000 0.197 217 D C 1.973 178.220 176.300 -0.089 0.000 0.987 217 D CA 1.119 55.077 54.000 -0.070 0.000 0.829 217 D CB -0.145 40.609 40.800 -0.076 0.000 0.961 217 D HN 0.410 nan 8.370 nan 0.000 0.460 218 Q N 0.074 119.827 119.800 -0.078 0.000 2.002 218 Q HA -0.233 4.109 4.340 0.004 0.000 0.204 218 Q C 2.182 178.123 176.000 -0.098 0.000 0.988 218 Q CA 1.410 57.157 55.803 -0.094 0.000 0.843 218 Q CB -0.161 28.549 28.738 -0.045 0.000 0.908 218 Q HN 0.120 nan 8.270 nan 0.000 0.420 219 Q N 0.941 120.698 119.800 -0.071 0.000 2.096 219 Q HA -0.194 4.148 4.340 0.004 0.000 0.204 219 Q C 1.850 177.793 176.000 -0.095 0.000 0.982 219 Q CA 1.780 57.537 55.803 -0.077 0.000 0.850 219 Q CB -0.153 28.551 28.738 -0.056 0.000 0.901 219 Q HN 0.210 nan 8.270 nan 0.000 0.422 220 R N -0.850 119.599 120.500 -0.084 0.000 2.092 220 R HA -0.052 4.290 4.340 0.004 0.000 0.231 220 R C 2.067 178.314 176.300 -0.088 0.000 1.119 220 R CA 1.167 57.217 56.100 -0.085 0.000 0.970 220 R CB -0.195 30.066 30.300 -0.064 0.000 0.864 220 R HN 0.341 nan 8.270 nan 0.000 0.440 221 L N 0.071 121.247 121.223 -0.079 0.000 2.156 221 L HA -0.112 4.230 4.340 0.004 0.000 0.208 221 L C 2.245 179.060 176.870 -0.092 0.000 1.095 221 L CA 0.958 55.782 54.840 -0.026 0.000 0.770 221 L CB -0.225 41.800 42.059 -0.057 0.000 0.914 221 L HN 0.244 nan 8.230 nan 0.000 0.439 222 I N -0.273 120.206 120.570 -0.152 0.000 2.202 222 I HA -0.260 3.912 4.170 0.004 0.000 0.242 222 I C 2.048 178.009 176.117 -0.260 0.000 1.091 222 I CA 1.110 62.302 61.300 -0.180 0.000 1.368 222 I CB -0.342 37.561 38.000 -0.161 0.000 1.058 222 I HN 0.227 nan 8.210 nan 0.000 0.410 223 D N 0.863 121.108 120.400 -0.259 0.000 2.149 223 D HA -0.175 4.468 4.640 0.004 0.000 0.198 223 D C 1.416 177.385 176.300 -0.552 0.000 0.990 223 D CA 1.252 55.046 54.000 -0.342 0.000 0.839 223 D CB -0.364 40.309 40.800 -0.211 0.000 0.948 223 D HN 0.310 nan 8.370 nan 0.000 0.460 224 D N -0.379 119.751 120.400 -0.449 0.000 2.349 224 D HA -0.041 4.601 4.640 0.004 0.000 0.224 224 D C 0.221 176.045 176.300 -0.794 0.000 1.029 224 D CA 0.192 53.852 54.000 -0.566 0.000 0.879 224 D CB 0.028 40.585 40.800 -0.406 0.000 0.906 224 D HN 0.346 nan 8.370 nan 0.000 0.528 225 H N -1.974 116.877 119.070 -0.365 0.000 3.109 225 H HA -0.185 4.373 4.556 0.004 0.000 0.245 225 H C 0.684 175.962 175.328 -0.083 0.000 1.187 225 H CA 0.537 56.462 56.048 -0.204 0.000 1.136 225 H CB -2.038 27.608 29.762 -0.193 0.000 1.243 225 H HN 0.353 nan 8.280 nan 0.000 0.328 226 F N -0.157 119.892 119.950 0.165 0.000 2.714 226 F HA 0.220 4.750 4.527 0.004 0.000 0.294 226 F C 1.084 177.100 175.800 0.360 0.000 1.120 226 F CA -0.164 57.960 58.000 0.206 0.000 1.398 226 F CB 0.774 39.768 39.000 -0.010 0.000 1.120 226 F HN -0.036 nan 8.300 nan 0.000 0.589 227 L N 0.157 121.504 121.223 0.208 0.000 2.401 227 L HA 0.459 4.801 4.340 0.004 0.000 0.266 227 L C -0.441 176.003 176.870 -0.709 0.000 0.991 227 L CA -1.422 53.186 54.840 -0.386 0.000 0.818 227 L CB 0.919 42.688 42.059 -0.482 0.000 1.321 227 L HN 0.010 nan 8.230 nan 0.000 0.413 228 F N 0.335 119.487 119.950 -1.331 0.000 2.553 228 F HA 0.303 4.833 4.527 0.004 0.000 0.356 228 F C 0.559 176.143 175.800 -0.360 0.000 1.142 228 F CA -0.449 56.981 58.000 -0.948 0.000 1.322 228 F CB -0.309 38.117 39.000 -0.957 0.000 1.126 228 F HN 0.439 nan 8.300 nan 0.000 0.599 229 D N 1.585 121.979 120.400 -0.009 0.000 2.360 229 D HA 0.052 4.694 4.640 0.004 0.000 0.242 229 D C -0.088 176.209 176.300 -0.005 0.000 1.184 229 D CA -0.246 53.738 54.000 -0.027 0.000 0.930 229 D CB 0.718 41.506 40.800 -0.020 0.000 1.161 229 D HN 0.531 nan 8.370 nan 0.000 0.447 230 K N 1.599 121.911 120.400 -0.146 0.000 2.489 230 K HA 0.034 4.356 4.320 0.004 0.000 0.278 230 K C -1.917 174.434 176.600 -0.416 0.000 1.000 230 K CA -0.784 55.219 56.287 -0.473 0.000 1.012 230 K CB 0.203 32.434 32.500 -0.449 0.000 0.903 230 K HN 0.200 nan 8.250 nan 0.000 0.485 231 P HA -0.012 nan 4.420 nan 0.000 0.226 231 P C 0.572 177.712 177.300 -0.266 0.000 1.783 231 P CA 0.064 62.947 63.100 -0.362 0.000 0.980 231 P CB -0.224 31.233 31.700 -0.405 0.000 1.967 232 V N -1.248 118.548 119.914 -0.197 0.000 3.406 232 V HA 0.058 4.180 4.120 0.004 0.000 0.263 232 V C 1.157 177.217 176.094 -0.057 0.000 1.172 232 V CA 0.212 62.440 62.300 -0.121 0.000 1.140 232 V CB -0.946 30.814 31.823 -0.104 0.000 0.784 232 V HN 0.310 nan 8.190 nan 0.000 0.467 233 S N 3.138 118.819 115.700 -0.033 0.000 2.596 233 S HA 0.112 4.584 4.470 0.004 0.000 0.298 233 S C -0.425 174.186 174.600 0.019 0.000 1.255 233 S CA -0.174 58.040 58.200 0.023 0.000 1.083 233 S CB 0.754 63.990 63.200 0.059 0.000 0.837 233 S HN 0.536 nan 8.310 nan 0.000 0.499 234 P HA -0.104 nan 4.420 nan 0.000 0.222 234 P C 1.438 178.762 177.300 0.039 0.000 1.147 234 P CA 0.532 63.646 63.100 0.023 0.000 0.790 234 P CB 0.050 31.759 31.700 0.015 0.000 0.780 235 L N -0.749 120.514 121.223 0.067 0.000 2.012 235 L HA -0.148 4.194 4.340 0.004 0.000 0.210 235 L C 2.771 179.669 176.870 0.046 0.000 1.073 235 L CA 1.780 56.658 54.840 0.063 0.000 0.748 235 L CB -1.673 40.428 42.059 0.069 0.000 0.891 235 L HN -0.078 nan 8.230 nan 0.000 0.431 236 L N -1.548 119.697 121.223 0.036 0.000 2.068 236 L HA -0.151 4.191 4.340 0.004 0.000 0.204 236 L C 2.596 179.479 176.870 0.022 0.000 1.076 236 L CA 1.595 56.450 54.840 0.025 0.000 0.753 236 L CB -1.191 40.867 42.059 -0.002 0.000 0.910 236 L HN 0.426 nan 8.230 nan 0.000 0.439 237 T N -2.742 111.816 114.554 0.007 0.000 2.708 237 T HA -0.212 4.140 4.350 0.004 0.000 0.266 237 T C 1.877 176.592 174.700 0.025 0.000 1.037 237 T CA 1.470 63.575 62.100 0.008 0.000 1.146 237 T CB -1.021 67.843 68.868 -0.007 0.000 0.865 237 T HN 0.350 nan 8.240 nan 0.000 0.435 238 C N 1.885 121.200 119.300 0.025 0.000 2.472 238 C HA 0.523 4.985 4.460 0.004 0.000 0.278 238 C C 3.128 178.141 174.990 0.040 0.000 1.447 238 C CA -0.077 58.957 59.018 0.027 0.000 1.773 238 C CB -1.743 26.010 27.740 0.022 0.000 1.793 238 C HN 0.757 nan 8.230 nan 0.000 0.544 239 A N -0.187 122.665 122.820 0.053 0.000 2.251 239 A HA 0.449 4.771 4.320 0.004 0.000 0.209 239 A C 1.821 179.463 177.584 0.098 0.000 1.187 239 A CA 1.041 53.125 52.037 0.078 0.000 0.823 239 A CB -0.636 18.411 19.000 0.078 0.000 0.846 239 A HN 1.105 nan 8.150 nan 0.000 0.486 240 G N -1.111 107.737 108.800 0.080 0.000 2.143 240 G HA2 -0.308 3.654 3.960 0.004 0.000 0.248 240 G HA3 -0.308 3.654 3.960 0.004 0.000 0.248 240 G C 0.612 175.566 174.900 0.090 0.000 0.991 240 G CA 0.644 45.798 45.100 0.091 0.000 0.689 240 G HN 0.444 nan 8.290 nan 0.000 0.522 241 M N -0.106 119.539 119.600 0.075 0.000 2.495 241 M HA 0.419 4.901 4.480 0.004 0.000 0.237 241 M C 2.119 178.466 176.300 0.078 0.000 1.131 241 M CA 0.994 56.339 55.300 0.074 0.000 1.032 241 M CB 0.526 33.160 32.600 0.057 0.000 1.513 241 M HN 0.445 nan 8.290 nan 0.000 0.488 242 A N 0.112 122.973 122.820 0.070 0.000 2.390 242 A HA 0.249 4.571 4.320 0.004 0.000 0.232 242 A C 0.628 178.307 177.584 0.159 0.000 1.233 242 A CA -0.376 51.707 52.037 0.077 0.000 0.907 242 A CB 0.090 19.080 19.000 -0.016 0.000 0.967 242 A HN 0.304 nan 8.150 nan 0.000 0.512 243 R N 1.662 122.243 120.500 0.135 0.000 2.537 243 R HA 0.103 4.446 4.340 0.004 0.000 0.281 243 R C -0.368 176.028 176.300 0.160 0.000 0.988 243 R CA 0.732 56.910 56.100 0.131 0.000 1.077 243 R CB -0.037 30.326 30.300 0.105 0.000 0.932 243 R HN 0.415 nan 8.270 nan 0.000 0.409 244 D N 0.194 120.681 120.400 0.146 0.000 3.059 244 D HA -0.248 4.395 4.640 0.004 0.000 0.220 244 D C -0.435 175.958 176.300 0.155 0.000 1.169 244 D CA 0.961 55.035 54.000 0.123 0.000 0.902 244 D CB -1.254 39.595 40.800 0.081 0.000 1.116 244 D HN 0.570 nan 8.370 nan 0.000 0.417 245 W N 2.811 124.136 121.300 0.040 0.000 2.181 245 W HA 0.252 4.914 4.660 0.003 0.000 0.335 245 W C -1.327 175.221 176.519 0.050 0.000 1.310 245 W CA -0.853 56.521 57.345 0.048 0.000 1.226 245 W CB 0.567 30.055 29.460 0.046 0.000 1.155 245 W HN -0.128 nan 8.180 nan 0.000 0.565 246 P HA -0.016 nan 4.420 nan 0.000 0.249 246 P C -0.392 176.591 177.300 -0.528 0.000 1.583 246 P CA 0.043 62.356 63.100 -1.311 0.000 0.988 246 P CB -0.051 30.758 31.700 -1.485 0.000 1.530 247 D N 1.544 121.801 120.400 -0.239 0.000 2.472 247 D HA 0.103 4.745 4.640 0.004 0.000 0.248 247 D C 0.904 177.164 176.300 -0.068 0.000 1.174 247 D CA 0.960 54.896 54.000 -0.107 0.000 0.883 247 D CB 0.541 41.320 40.800 -0.034 0.000 1.149 247 D HN 0.202 nan 8.370 nan 0.000 0.488 248 A N 3.183 125.984 122.820 -0.031 0.000 2.899 248 A HA -0.278 4.044 4.320 0.004 0.000 0.257 248 A C 0.304 177.925 177.584 0.062 0.000 1.335 248 A CA 1.092 53.143 52.037 0.024 0.000 0.924 248 A CB -1.299 17.706 19.000 0.008 0.000 1.105 248 A HN 0.613 nan 8.150 nan 0.000 0.765 249 R N -0.577 119.931 120.500 0.013 0.000 2.474 249 R HA 0.710 5.052 4.340 0.004 0.000 0.295 249 R C 0.668 177.084 176.300 0.192 0.000 0.980 249 R CA 0.837 56.995 56.100 0.096 0.000 0.934 249 R CB 1.629 31.916 30.300 -0.020 0.000 1.101 249 R HN 1.145 nan 8.270 nan 0.000 0.469 250 G N 0.740 109.770 108.800 0.382 0.000 2.559 250 G HA2 0.482 4.445 3.960 0.004 0.000 0.291 250 G HA3 0.482 4.445 3.960 0.004 0.000 0.291 250 G C -1.753 173.421 174.900 0.457 0.000 1.424 250 G CA -0.599 44.653 45.100 0.253 0.000 0.786 250 G HN 0.530 nan 8.290 nan 0.000 0.485 251 I N -0.250 120.473 120.570 0.256 0.000 2.533 251 I HA 0.727 4.899 4.170 0.004 0.000 0.290 251 I C -1.648 174.757 176.117 0.479 0.000 1.056 251 I CA -1.295 60.286 61.300 0.468 0.000 1.057 251 I CB 1.923 40.111 38.000 0.312 0.000 1.240 251 I HN 0.731 nan 8.210 nan 0.000 0.423 252 W N 8.442 129.993 121.300 0.419 0.000 2.606 252 W HA 0.643 5.305 4.660 0.004 0.000 0.332 252 W C -1.422 175.250 176.519 0.255 0.000 1.052 252 W CA -0.059 57.474 57.345 0.313 0.000 1.223 252 W CB 0.904 30.562 29.460 0.331 0.000 1.383 252 W HN 0.666 nan 8.180 nan 0.000 0.524 253 H N 1.810 120.461 119.070 -0.698 0.000 3.064 253 H HA 0.396 4.954 4.556 0.004 0.000 0.352 253 H C -0.547 174.139 175.328 -1.071 0.000 1.260 253 H CA -1.311 54.269 56.048 -0.779 0.000 1.160 253 H CB 0.331 29.929 29.762 -0.272 0.000 1.879 253 H HN 0.471 nan 8.280 nan 0.000 0.544 254 N N 0.560 118.942 118.700 -0.531 0.000 2.326 254 N HA -0.088 4.654 4.740 0.004 0.000 0.239 254 N C 0.640 176.182 175.510 0.053 0.000 1.301 254 N CA -0.408 52.534 53.050 -0.180 0.000 0.909 254 N CB 0.364 38.916 38.487 0.108 0.000 1.156 254 N HN 0.792 nan 8.380 nan 0.000 0.462 255 Y N 0.006 120.293 120.300 -0.021 0.000 2.165 255 Y HA -0.179 4.373 4.550 0.004 0.000 0.286 255 Y C 0.986 176.865 175.900 -0.035 0.000 1.155 255 Y CA 1.968 60.073 58.100 0.009 0.000 1.164 255 Y CB -0.211 38.249 38.460 0.000 0.000 0.978 255 Y HN 0.544 nan 8.280 nan 0.000 0.513 256 D N 0.274 120.652 120.400 -0.037 0.000 2.371 256 D HA -0.082 4.560 4.640 0.004 0.000 0.221 256 D C 0.479 176.615 176.300 -0.272 0.000 0.986 256 D CA 0.780 54.692 54.000 -0.146 0.000 0.899 256 D CB -0.229 40.573 40.800 0.004 0.000 0.902 256 D HN 0.323 nan 8.370 nan 0.000 0.530 257 K N -0.739 119.456 120.400 -0.342 0.000 3.077 257 K HA -0.185 4.137 4.320 0.004 0.000 0.264 257 K C 0.743 177.167 176.600 -0.294 0.000 1.008 257 K CA 0.965 56.892 56.287 -0.600 0.000 0.740 257 K CB -2.031 29.613 32.500 -1.425 0.000 1.273 257 K HN 0.348 nan 8.250 nan 0.000 0.477 258 T N -2.890 111.647 114.554 -0.028 0.000 3.014 258 T HA 0.163 4.515 4.350 0.004 0.000 0.250 258 T C 0.132 174.998 174.700 0.276 0.000 1.060 258 T CA -0.115 62.058 62.100 0.121 0.000 1.040 258 T CB 0.127 69.069 68.868 0.123 0.000 0.971 258 T HN 0.213 nan 8.240 nan 0.000 0.497 259 F N 1.913 121.925 119.950 0.104 0.000 2.539 259 F HA 0.705 5.234 4.527 0.004 0.000 0.328 259 F C -1.894 174.087 175.800 0.302 0.000 1.148 259 F CA -2.164 55.963 58.000 0.212 0.000 0.940 259 F CB 1.237 40.392 39.000 0.260 0.000 1.194 259 F HN -0.085 nan 8.300 nan 0.000 0.438 260 L N 6.316 127.464 121.223 -0.124 0.000 2.354 260 L HA 0.663 5.005 4.340 0.004 0.000 0.264 260 L C -0.943 175.880 176.870 -0.077 0.000 1.008 260 L CA -0.619 54.261 54.840 0.067 0.000 0.819 260 L CB 2.338 44.474 42.059 0.127 0.000 1.339 260 L HN 0.414 nan 8.230 nan 0.000 0.420 261 I N 0.789 121.523 120.570 0.273 0.000 2.478 261 I HA 0.313 4.485 4.170 0.004 0.000 0.287 261 I C -1.345 175.075 176.117 0.504 0.000 1.042 261 I CA -0.402 61.005 61.300 0.179 0.000 1.067 261 I CB 1.701 39.758 38.000 0.096 0.000 1.233 261 I HN 0.402 nan 8.210 nan 0.000 0.431 262 W N 6.823 128.297 121.300 0.290 0.000 2.390 262 W HA 0.473 5.135 4.660 0.004 0.000 0.312 262 W C -0.362 176.319 176.519 0.269 0.000 1.123 262 W CA -0.871 56.720 57.345 0.410 0.000 1.202 262 W CB 0.863 30.610 29.460 0.479 0.000 1.251 262 W HN 0.106 nan 8.180 nan 0.000 0.511 263 I N 4.788 125.678 120.570 0.532 0.000 2.362 263 I HA 0.107 4.280 4.170 0.004 0.000 0.289 263 I C 0.497 176.736 176.117 0.203 0.000 0.994 263 I CA -0.810 60.681 61.300 0.318 0.000 1.158 263 I CB 1.040 39.238 38.000 0.331 0.000 1.315 263 I HN 0.495 nan 8.210 nan 0.000 0.451 264 N N 3.760 122.543 118.700 0.139 0.000 2.741 264 N HA -0.222 4.521 4.740 0.004 0.000 0.251 264 N C 0.957 176.481 175.510 0.023 0.000 1.112 264 N CA 1.294 54.403 53.050 0.098 0.000 0.750 264 N CB -0.576 37.958 38.487 0.079 0.000 1.119 264 N HN 0.751 nan 8.380 nan 0.000 0.561 265 E N 1.053 121.194 120.200 -0.099 0.000 2.046 265 E HA 0.093 4.445 4.350 0.004 0.000 0.199 265 E C 1.184 177.735 176.600 -0.082 0.000 0.948 265 E CA 1.253 57.478 56.400 -0.291 0.000 0.876 265 E CB -0.114 28.949 29.700 -1.061 0.000 0.901 265 E HN 0.339 nan 8.360 nan 0.000 0.479 266 E N 0.401 120.591 120.200 -0.018 0.000 2.385 266 E HA 0.197 4.550 4.350 0.004 0.000 0.194 266 E C -0.396 176.243 176.600 0.065 0.000 1.013 266 E CA 0.514 56.946 56.400 0.054 0.000 0.866 266 E CB 0.439 30.209 29.700 0.118 0.000 0.832 266 E HN 0.131 nan 8.360 nan 0.000 0.500 267 D N -2.517 117.930 120.400 0.078 0.000 2.692 267 D HA 0.144 4.786 4.640 0.004 0.000 0.303 267 D C 0.395 176.780 176.300 0.142 0.000 1.278 267 D CA -0.572 53.465 54.000 0.060 0.000 0.852 267 D CB 0.409 41.241 40.800 0.053 0.000 1.375 267 D HN -0.042 nan 8.370 nan 0.000 0.453 268 H N -0.393 118.711 119.070 0.057 0.000 2.319 268 H HA -0.059 4.499 4.556 0.004 0.000 0.297 268 H C 0.710 176.071 175.328 0.054 0.000 1.097 268 H CA 1.558 57.630 56.048 0.041 0.000 1.285 268 H CB 0.337 30.119 29.762 0.033 0.000 1.368 268 H HN 0.305 nan 8.280 nan 0.000 0.495 269 T N -1.280 113.392 114.554 0.196 0.000 2.916 269 T HA 0.528 4.880 4.350 0.004 0.000 0.305 269 T C -0.745 174.016 174.700 0.101 0.000 1.119 269 T CA -1.267 60.914 62.100 0.135 0.000 1.008 269 T CB 3.130 72.041 68.868 0.072 0.000 1.129 269 T HN 0.007 nan 8.240 nan 0.000 0.480 270 R N 1.895 122.460 120.500 0.109 0.000 2.439 270 R HA 0.630 4.973 4.340 0.004 0.000 0.310 270 R C -1.195 175.040 176.300 -0.108 0.000 0.955 270 R CA -0.737 55.370 56.100 0.012 0.000 0.853 270 R CB 2.022 32.344 30.300 0.038 0.000 1.171 270 R HN 0.657 nan 8.270 nan 0.000 0.449 271 V N 5.625 125.470 119.914 -0.116 0.000 2.398 271 V HA 0.537 4.660 4.120 0.004 0.000 0.286 271 V C 0.258 176.304 176.094 -0.079 0.000 1.026 271 V CA -0.597 61.590 62.300 -0.188 0.000 0.868 271 V CB 1.688 33.397 31.823 -0.189 0.000 0.982 271 V HN 0.563 nan 8.190 nan 0.000 0.443 272 I N 3.544 123.977 120.570 -0.229 0.000 2.533 272 I HA 0.450 4.622 4.170 0.004 0.000 0.290 272 I C -0.209 175.952 176.117 0.074 0.000 1.056 272 I CA -0.166 61.079 61.300 -0.091 0.000 1.057 272 I CB 2.265 40.082 38.000 -0.305 0.000 1.240 272 I HN 0.576 nan 8.210 nan 0.000 0.423 273 S N 8.296 124.184 115.700 0.313 0.000 2.498 273 S HA 0.865 5.338 4.470 0.004 0.000 0.317 273 S C -0.618 174.112 174.600 0.218 0.000 1.090 273 S CA -0.610 57.825 58.200 0.393 0.000 1.089 273 S CB 0.549 64.081 63.200 0.554 0.000 0.997 273 S HN 0.596 nan 8.310 nan 0.000 0.470 274 M N 2.748 122.467 119.600 0.199 0.000 2.569 274 M HA 0.728 5.211 4.480 0.004 0.000 0.279 274 M C -1.415 174.983 176.300 0.163 0.000 1.253 274 M CA -0.709 54.681 55.300 0.150 0.000 0.867 274 M CB 2.118 34.798 32.600 0.134 0.000 1.727 274 M HN 0.497 nan 8.290 nan 0.000 0.467 275 E N 0.804 121.078 120.200 0.123 0.000 2.390 275 E HA 0.415 4.767 4.350 0.004 0.000 0.280 275 E C -1.696 174.954 176.600 0.083 0.000 0.992 275 E CA -0.937 55.532 56.400 0.115 0.000 0.790 275 E CB 3.142 32.901 29.700 0.099 0.000 1.248 275 E HN 0.655 nan 8.360 nan 0.000 0.447 276 K N 0.675 121.124 120.400 0.082 0.000 2.258 276 K HA 0.513 4.836 4.320 0.004 0.000 0.264 276 K C 0.359 176.996 176.600 0.061 0.000 1.007 276 K CA 0.765 57.088 56.287 0.060 0.000 0.941 276 K CB 0.765 33.301 32.500 0.059 0.000 0.966 276 K HN 0.754 nan 8.250 nan 0.000 0.480 277 G N 0.164 109.001 108.800 0.061 0.000 2.660 277 G HA2 -0.155 3.807 3.960 0.004 0.000 0.215 277 G HA3 -0.155 3.807 3.960 0.004 0.000 0.215 277 G C 0.250 175.224 174.900 0.124 0.000 1.345 277 G CA -0.473 44.671 45.100 0.074 0.000 0.877 277 G HN 0.756 nan 8.290 nan 0.000 0.549 278 G N -0.632 108.258 108.800 0.150 0.000 3.774 278 G HA2 0.361 4.323 3.960 0.004 0.000 0.287 278 G HA3 0.361 4.323 3.960 0.004 0.000 0.287 278 G C 0.400 175.352 174.900 0.087 0.000 1.030 278 G CA 0.659 45.927 45.100 0.281 0.000 0.824 278 G HN 0.726 nan 8.290 nan 0.000 0.518 279 N N 1.441 120.165 118.700 0.039 0.000 2.895 279 N HA 0.097 4.840 4.740 0.004 0.000 0.277 279 N C 1.509 177.007 175.510 -0.021 0.000 1.185 279 N CA -0.382 52.652 53.050 -0.027 0.000 1.106 279 N CB 0.675 39.165 38.487 0.006 0.000 1.422 279 N HN 0.134 nan 8.380 nan 0.000 0.521 280 M N 2.400 121.928 119.600 -0.121 0.000 2.229 280 M HA -0.063 4.419 4.480 0.004 0.000 0.264 280 M C 1.867 178.176 176.300 0.014 0.000 1.063 280 M CA 1.579 56.849 55.300 -0.049 0.000 1.114 280 M CB -0.114 32.387 32.600 -0.165 0.000 1.387 280 M HN 0.359 nan 8.290 nan 0.000 0.420 281 K N -0.369 120.011 120.400 -0.035 0.000 2.009 281 K HA -0.254 4.069 4.320 0.004 0.000 0.210 281 K C 2.359 179.016 176.600 0.094 0.000 1.049 281 K CA 1.991 58.307 56.287 0.049 0.000 0.929 281 K CB -0.322 32.175 32.500 -0.005 0.000 0.714 281 K HN 0.399 nan 8.250 nan 0.000 0.440 282 R N 0.271 120.804 120.500 0.054 0.000 2.075 282 R HA -0.097 4.246 4.340 0.004 0.000 0.232 282 R C 2.106 178.466 176.300 0.100 0.000 1.126 282 R CA 1.397 57.533 56.100 0.060 0.000 0.963 282 R CB -0.188 30.137 30.300 0.041 0.000 0.858 282 R HN 0.095 nan 8.270 nan 0.000 0.435 283 V N 0.872 120.860 119.914 0.123 0.000 2.287 283 V HA -0.262 3.860 4.120 0.004 0.000 0.248 283 V C 2.086 178.337 176.094 0.262 0.000 1.053 283 V CA 1.995 64.398 62.300 0.171 0.000 1.027 283 V CB -0.683 31.227 31.823 0.145 0.000 0.646 283 V HN 0.331 nan 8.190 nan 0.000 0.447 284 F N 0.955 120.949 119.950 0.074 0.000 2.206 284 F HA -0.071 4.458 4.527 0.004 0.000 0.298 284 F C 2.316 178.210 175.800 0.158 0.000 1.090 284 F CA 1.652 59.718 58.000 0.110 0.000 1.323 284 F CB -0.378 38.641 39.000 0.032 0.000 1.028 284 F HN 0.220 nan 8.300 nan 0.000 0.492 285 E N -0.066 120.145 120.200 0.017 0.000 2.070 285 E HA -0.310 4.042 4.350 0.004 0.000 0.197 285 E C 2.345 178.889 176.600 -0.093 0.000 1.004 285 E CA 1.728 58.070 56.400 -0.097 0.000 0.805 285 E CB -0.294 29.390 29.700 -0.026 0.000 0.744 285 E HN 0.339 nan 8.360 nan 0.000 0.451 286 R N -0.045 120.455 120.500 0.000 0.000 2.092 286 R HA -0.140 4.202 4.340 0.004 0.000 0.231 286 R C 2.186 178.456 176.300 -0.050 0.000 1.119 286 R CA 0.988 57.066 56.100 -0.036 0.000 0.970 286 R CB -0.263 30.062 30.300 0.043 0.000 0.864 286 R HN 0.165 nan 8.270 nan 0.000 0.440 287 F N 0.726 120.665 119.950 -0.019 0.000 2.069 287 F HA -0.272 4.257 4.527 0.004 0.000 0.298 287 F C 2.136 177.892 175.800 -0.073 0.000 1.113 287 F CA 1.716 59.767 58.000 0.086 0.000 1.214 287 F CB -0.667 38.440 39.000 0.177 0.000 0.978 287 F HN 0.052 nan 8.300 nan 0.000 0.474 288 C N 0.817 120.001 119.300 -0.194 0.000 2.432 288 C HA -0.141 4.321 4.460 0.004 0.000 0.277 288 C C 2.890 177.689 174.990 -0.318 0.000 1.249 288 C CA 1.411 60.221 59.018 -0.347 0.000 1.725 288 C CB -1.300 26.174 27.740 -0.443 0.000 2.028 288 C HN 0.528 nan 8.230 nan 0.000 0.477 289 R N 0.674 121.006 120.500 -0.280 0.000 2.073 289 R HA -0.086 4.257 4.340 0.004 0.000 0.234 289 R C 2.291 178.392 176.300 -0.331 0.000 1.134 289 R CA 1.883 57.830 56.100 -0.255 0.000 0.952 289 R CB -0.667 29.505 30.300 -0.214 0.000 0.850 289 R HN 0.567 nan 8.270 nan 0.000 0.433 290 G N 1.036 109.524 108.800 -0.520 0.000 2.402 290 G HA2 -0.238 3.725 3.960 0.004 0.000 0.216 290 G HA3 -0.238 3.725 3.960 0.004 0.000 0.216 290 G C 1.286 175.999 174.900 -0.312 0.000 1.162 290 G CA 0.498 45.127 45.100 -0.785 0.000 0.777 290 G HN 0.294 nan 8.290 nan 0.000 0.539 291 L N 0.667 121.707 121.223 -0.305 0.000 2.017 291 L HA 0.095 4.438 4.340 0.004 0.000 0.208 291 L C 2.684 179.406 176.870 -0.247 0.000 1.073 291 L CA 1.927 56.584 54.840 -0.306 0.000 0.745 291 L CB -0.533 41.135 42.059 -0.653 0.000 0.894 291 L HN 0.120 nan 8.230 nan 0.000 0.432 292 K N -0.745 119.513 120.400 -0.237 0.000 2.097 292 K HA -0.164 4.158 4.320 0.004 0.000 0.206 292 K C 2.033 178.567 176.600 -0.110 0.000 1.049 292 K CA 1.328 57.519 56.287 -0.159 0.000 0.933 292 K CB -0.142 32.272 32.500 -0.144 0.000 0.717 292 K HN 0.309 nan 8.250 nan 0.000 0.442 293 E N 0.603 120.728 120.200 -0.126 0.000 2.072 293 E HA -0.134 4.218 4.350 0.004 0.000 0.191 293 E C 2.168 178.731 176.600 -0.062 0.000 0.985 293 E CA 0.860 57.205 56.400 -0.090 0.000 0.801 293 E CB -0.238 29.395 29.700 -0.111 0.000 0.750 293 E HN 0.036 nan 8.360 nan 0.000 0.452 294 V N 1.707 121.581 119.914 -0.066 0.000 2.332 294 V HA -0.263 3.860 4.120 0.004 0.000 0.248 294 V C 2.199 178.322 176.094 0.047 0.000 1.055 294 V CA 1.958 64.231 62.300 -0.046 0.000 1.038 294 V CB -0.456 31.333 31.823 -0.057 0.000 0.651 294 V HN 0.275 nan 8.190 nan 0.000 0.450 295 E N -0.305 119.927 120.200 0.053 0.000 2.051 295 E HA -0.240 4.113 4.350 0.004 0.000 0.192 295 E C 2.462 179.184 176.600 0.203 0.000 0.991 295 E CA 1.187 57.742 56.400 0.258 0.000 0.799 295 E CB -0.213 29.532 29.700 0.074 0.000 0.748 295 E HN 0.444 nan 8.360 nan 0.000 0.449 296 R N 0.898 121.439 120.500 0.069 0.000 2.073 296 R HA -0.124 4.218 4.340 0.004 0.000 0.234 296 R C 2.402 178.713 176.300 0.018 0.000 1.134 296 R CA 0.995 57.113 56.100 0.030 0.000 0.952 296 R CB -0.187 30.109 30.300 -0.006 0.000 0.850 296 R HN 0.155 nan 8.270 nan 0.000 0.433 297 L N 0.328 121.553 121.223 0.004 0.000 2.083 297 L HA -0.176 4.167 4.340 0.004 0.000 0.209 297 L C 2.373 179.238 176.870 -0.007 0.000 1.083 297 L CA 1.119 55.952 54.840 -0.013 0.000 0.752 297 L CB -0.241 41.793 42.059 -0.041 0.000 0.899 297 L HN 0.274 nan 8.230 nan 0.000 0.433 298 I N -0.834 119.739 120.570 0.004 0.000 2.286 298 I HA -0.264 3.908 4.170 0.004 0.000 0.245 298 I C 2.455 178.565 176.117 -0.012 0.000 1.104 298 I CA 1.160 62.440 61.300 -0.033 0.000 1.397 298 I CB -0.169 37.781 38.000 -0.084 0.000 1.072 298 I HN 0.303 nan 8.210 nan 0.000 0.417 299 Q N 0.211 119.996 119.800 -0.025 0.000 2.291 299 Q HA -0.226 4.116 4.340 0.004 0.000 0.205 299 Q C 1.984 177.980 176.000 -0.006 0.000 0.970 299 Q CA 1.027 56.813 55.803 -0.028 0.000 0.876 299 Q CB -0.040 28.695 28.738 -0.004 0.000 0.935 299 Q HN 0.464 nan 8.270 nan 0.000 0.455 300 E N 0.526 120.730 120.200 0.006 0.000 2.150 300 E HA -0.150 4.202 4.350 0.004 0.000 0.193 300 E C 1.265 177.868 176.600 0.006 0.000 0.985 300 E CA 0.522 56.922 56.400 -0.000 0.000 0.814 300 E CB 0.325 30.024 29.700 -0.001 0.000 0.752 300 E HN 0.075 nan 8.360 nan 0.000 0.466 301 R N -0.656 119.875 120.500 0.052 0.000 2.319 301 R HA 0.072 4.414 4.340 0.004 0.000 0.204 301 R C 1.111 177.391 176.300 -0.033 0.000 0.954 301 R CA 0.751 56.898 56.100 0.079 0.000 1.066 301 R CB 0.140 30.580 30.300 0.234 0.000 0.991 301 R HN 0.358 nan 8.270 nan 0.000 0.486 302 G N -0.127 108.622 108.800 -0.084 0.000 2.157 302 G HA2 -0.238 3.724 3.960 0.004 0.000 0.248 302 G HA3 -0.238 3.724 3.960 0.004 0.000 0.248 302 G C -0.401 174.285 174.900 -0.357 0.000 0.979 302 G CA -0.114 44.850 45.100 -0.226 0.000 0.650 302 G HN 0.298 nan 8.290 nan 0.000 0.529 303 W N 1.261 122.472 121.300 -0.148 0.000 2.316 303 W HA 0.653 5.315 4.660 0.003 0.000 0.321 303 W C 0.764 177.118 176.519 -0.275 0.000 1.203 303 W CA -0.559 56.666 57.345 -0.200 0.000 1.214 303 W CB 0.687 30.002 29.460 -0.241 0.000 1.169 303 W HN 0.123 nan 8.180 nan 0.000 0.561 304 E N 1.397 121.592 120.200 -0.009 0.000 2.222 304 E HA 0.416 4.768 4.350 0.004 0.000 0.267 304 E C -1.067 175.451 176.600 -0.135 0.000 0.963 304 E CA -1.088 55.267 56.400 -0.075 0.000 0.837 304 E CB 1.316 31.039 29.700 0.040 0.000 1.183 304 E HN 0.114 nan 8.360 nan 0.000 0.403 305 F N 0.925 121.002 119.950 0.212 0.000 2.371 305 F HA 0.271 4.800 4.527 0.004 0.000 0.329 305 F C 0.851 176.832 175.800 0.301 0.000 1.107 305 F CA -0.633 57.523 58.000 0.259 0.000 1.137 305 F CB 0.556 39.736 39.000 0.299 0.000 1.214 305 F HN 0.163 nan 8.300 nan 0.000 0.536 306 M N 2.393 122.284 119.600 0.484 0.000 2.268 306 M HA 0.095 4.577 4.480 0.004 0.000 0.349 306 M C -1.145 175.403 176.300 0.413 0.000 1.485 306 M CA 0.666 56.170 55.300 0.339 0.000 1.094 306 M CB 0.144 32.877 32.600 0.221 0.000 1.843 306 M HN 0.732 nan 8.290 nan 0.000 0.460 307 W N 5.633 126.971 121.300 0.064 0.000 3.571 307 W HA 0.424 5.086 4.660 0.003 0.000 0.294 307 W C -1.919 174.541 176.519 -0.098 0.000 1.257 307 W CA -0.563 56.732 57.345 -0.085 0.000 1.206 307 W CB 1.094 30.456 29.460 -0.163 0.000 1.325 307 W HN 0.758 nan 8.180 nan 0.000 0.546 308 N N 0.308 118.266 118.700 -1.237 0.000 2.774 308 N HA 0.352 5.094 4.740 0.004 0.000 0.264 308 N C 0.150 174.571 175.510 -1.816 0.000 1.415 308 N CA -0.136 52.047 53.050 -1.445 0.000 0.815 308 N CB 1.366 39.502 38.487 -0.585 0.000 1.514 308 N HN 0.219 nan 8.380 nan 0.000 0.523 309 E N -1.073 118.424 120.200 -1.171 0.000 2.268 309 E HA -0.029 4.323 4.350 0.004 0.000 0.195 309 E C 1.066 177.492 176.600 -0.290 0.000 0.995 309 E CA 0.736 56.785 56.400 -0.585 0.000 0.836 309 E CB -0.578 28.994 29.700 -0.213 0.000 0.763 309 E HN 0.535 nan 8.360 nan 0.000 0.491 310 R N -0.131 120.199 120.500 -0.283 0.000 2.140 310 R HA 0.346 4.689 4.340 0.004 0.000 0.213 310 R C 2.299 178.567 176.300 -0.053 0.000 1.059 310 R CA 0.790 56.837 56.100 -0.089 0.000 1.000 310 R CB -0.287 29.955 30.300 -0.098 0.000 0.910 310 R HN 0.389 nan 8.270 nan 0.000 0.455 311 L N -0.525 120.524 121.223 -0.289 0.000 2.766 311 L HA 0.247 4.590 4.340 0.004 0.000 0.242 311 L C 1.121 177.693 176.870 -0.497 0.000 1.136 311 L CA 0.199 54.817 54.840 -0.370 0.000 0.933 311 L CB 0.121 41.894 42.059 -0.477 0.000 1.241 311 L HN 0.252 nan 8.230 nan 0.000 0.522 312 G N 0.483 108.965 108.800 -0.529 0.000 2.596 312 G HA2 -0.367 3.596 3.960 0.004 0.000 0.295 312 G HA3 -0.367 3.596 3.960 0.004 0.000 0.295 312 G C -0.334 174.244 174.900 -0.536 0.000 1.240 312 G CA 0.076 44.879 45.100 -0.496 0.000 0.985 312 G HN 0.133 nan 8.290 nan 0.000 0.555 313 Y N 0.549 120.850 120.300 0.000 0.000 2.442 313 Y HA 0.517 5.069 4.550 0.004 0.000 0.330 313 Y C 1.268 177.089 175.900 -0.131 0.000 1.129 313 Y CA -0.037 58.101 58.100 0.063 0.000 1.365 313 Y CB 0.545 39.054 38.460 0.082 0.000 1.233 313 Y HN 0.422 nan 8.280 nan 0.000 0.529 314 I N 5.437 126.036 120.570 0.048 0.000 2.331 314 I HA 0.298 4.470 4.170 0.004 0.000 0.292 314 I C -0.312 175.802 176.117 -0.006 0.000 0.998 314 I CA -0.015 61.211 61.300 -0.123 0.000 1.267 314 I CB 0.519 38.439 38.000 -0.133 0.000 1.386 314 I HN 0.447 nan 8.210 nan 0.000 0.476 315 L N 4.209 125.420 121.223 -0.020 0.000 2.230 315 L HA 0.448 4.790 4.340 0.004 0.000 0.255 315 L C 1.213 178.152 176.870 0.115 0.000 1.039 315 L CA -0.580 54.280 54.840 0.032 0.000 0.846 315 L CB 1.853 43.930 42.059 0.031 0.000 1.419 315 L HN 0.474 nan 8.230 nan 0.000 0.435 316 T N -1.088 113.510 114.554 0.073 0.000 2.674 316 T HA -0.156 4.196 4.350 0.004 0.000 0.265 316 T C 0.510 175.311 174.700 0.168 0.000 1.039 316 T CA 1.004 63.155 62.100 0.085 0.000 1.150 316 T CB -0.108 68.786 68.868 0.043 0.000 0.864 316 T HN 0.509 nan 8.240 nan 0.000 0.427 317 C N 2.840 122.240 119.300 0.167 0.000 2.369 317 C HA 0.378 4.840 4.460 0.004 0.000 0.358 317 C C -1.327 173.821 174.990 0.263 0.000 1.274 317 C CA -2.223 56.917 59.018 0.204 0.000 1.935 317 C CB 0.904 28.727 27.740 0.139 0.000 2.431 317 C HN 0.306 nan 8.230 nan 0.000 0.545 318 P HA -0.140 nan 4.420 nan 0.000 0.218 318 P C 1.519 179.050 177.300 0.386 0.000 1.146 318 P CA 1.933 65.268 63.100 0.392 0.000 0.813 318 P CB -0.022 31.977 31.700 0.499 0.000 0.778 319 S N -2.068 113.794 115.700 0.272 0.000 2.500 319 S HA -0.062 4.411 4.470 0.004 0.000 0.239 319 S C 1.396 176.149 174.600 0.254 0.000 0.989 319 S CA 0.851 59.172 58.200 0.201 0.000 0.951 319 S CB -0.827 62.404 63.200 0.052 0.000 0.759 319 S HN 0.134 nan 8.310 nan 0.000 0.523 320 N N 0.582 119.389 118.700 0.178 0.000 2.200 320 N HA 0.384 5.126 4.740 0.004 0.000 0.224 320 N C -0.128 175.379 175.510 -0.005 0.000 1.179 320 N CA -0.079 53.025 53.050 0.090 0.000 0.877 320 N CB 0.332 38.865 38.487 0.078 0.000 1.072 320 N HN 0.405 nan 8.380 nan 0.000 0.519 321 L N -0.495 120.678 121.223 -0.082 0.000 2.476 321 L HA 0.262 4.604 4.340 0.004 0.000 0.255 321 L C 1.792 178.427 176.870 -0.392 0.000 1.218 321 L CA 0.577 55.255 54.840 -0.271 0.000 0.819 321 L CB 0.167 41.999 42.059 -0.379 0.000 1.119 321 L HN 0.289 nan 8.230 nan 0.000 0.485 322 G N 0.260 108.752 108.800 -0.514 0.000 4.163 322 G HA2 -0.401 3.562 3.960 0.004 0.000 0.300 322 G HA3 -0.401 3.562 3.960 0.004 0.000 0.300 322 G C 0.834 175.442 174.900 -0.486 0.000 1.488 322 G CA 0.672 45.192 45.100 -0.967 0.000 1.052 322 G HN 0.757 nan 8.290 nan 0.000 0.687 323 T N -0.934 113.490 114.554 -0.218 0.000 3.015 323 T HA 0.442 4.795 4.350 0.004 0.000 0.250 323 T C 2.664 177.421 174.700 0.094 0.000 1.057 323 T CA 1.718 63.891 62.100 0.121 0.000 1.066 323 T CB 0.281 69.240 68.868 0.151 0.000 0.959 323 T HN 2.614 nan 8.240 nan 0.000 0.488 324 G N 1.494 110.303 108.800 0.015 0.000 2.212 324 G HA2 -0.263 3.699 3.960 0.004 0.000 0.267 324 G HA3 -0.263 3.699 3.960 0.004 0.000 0.267 324 G C -0.070 174.854 174.900 0.040 0.000 1.002 324 G CA 0.612 45.729 45.100 0.028 0.000 0.729 324 G HN 0.781 nan 8.290 nan 0.000 0.517 325 L N 0.202 121.445 121.223 0.034 0.000 2.292 325 L HA 0.723 5.066 4.340 0.004 0.000 0.284 325 L C 0.412 177.258 176.870 -0.039 0.000 1.065 325 L CA -0.876 53.962 54.840 -0.002 0.000 0.806 325 L CB 0.761 42.820 42.059 -0.001 0.000 1.175 325 L HN 0.055 nan 8.230 nan 0.000 0.431 326 R N 4.830 125.283 120.500 -0.077 0.000 2.407 326 R HA 0.546 4.888 4.340 0.004 0.000 0.298 326 R C -1.267 174.956 176.300 -0.128 0.000 1.166 326 R CA -0.482 55.574 56.100 -0.074 0.000 1.006 326 R CB 1.600 31.878 30.300 -0.038 0.000 1.145 326 R HN 0.715 nan 8.270 nan 0.000 0.538 327 A N 1.656 124.392 122.820 -0.140 0.000 2.305 327 A HA 0.867 5.190 4.320 0.004 0.000 0.322 327 A C -0.075 177.463 177.584 -0.077 0.000 1.187 327 A CA -0.328 51.619 52.037 -0.150 0.000 0.825 327 A CB 1.590 20.462 19.000 -0.212 0.000 1.164 327 A HN 0.755 nan 8.150 nan 0.000 0.498 328 G N -0.492 108.277 108.800 -0.051 0.000 2.554 328 G HA2 0.695 4.657 3.960 0.004 0.000 0.306 328 G HA3 0.695 4.657 3.960 0.004 0.000 0.306 328 G C -0.975 173.907 174.900 -0.030 0.000 1.320 328 G CA 0.228 45.309 45.100 -0.032 0.000 0.800 328 G HN 1.944 nan 8.290 nan 0.000 0.481 329 V N -3.115 116.771 119.914 -0.048 0.000 3.040 329 V HA 0.725 4.847 4.120 0.004 0.000 0.312 329 V C -0.787 175.329 176.094 0.035 0.000 1.115 329 V CA -1.165 61.104 62.300 -0.051 0.000 0.998 329 V CB 1.616 33.347 31.823 -0.154 0.000 1.042 329 V HN 0.865 nan 8.190 nan 0.000 0.433 330 H N 0.572 119.612 119.070 -0.051 0.000 2.552 330 H HA 0.727 5.285 4.556 0.004 0.000 0.311 330 H C -0.720 174.600 175.328 -0.014 0.000 1.071 330 H CA -0.426 55.592 56.048 -0.049 0.000 1.307 330 H CB 1.896 31.596 29.762 -0.102 0.000 1.416 330 H HN 0.653 nan 8.280 nan 0.000 0.464 331 V N 5.135 125.136 119.914 0.146 0.000 2.638 331 V HA 0.290 4.412 4.120 0.004 0.000 0.306 331 V C -0.698 175.483 176.094 0.145 0.000 1.052 331 V CA -0.882 61.488 62.300 0.116 0.000 0.885 331 V CB 1.796 33.653 31.823 0.057 0.000 0.999 331 V HN 0.762 nan 8.190 nan 0.000 0.424 332 R N 6.887 127.468 120.500 0.135 0.000 2.220 332 R HA 0.527 4.870 4.340 0.004 0.000 0.340 332 R C -0.256 176.139 176.300 0.157 0.000 1.076 332 R CA -0.255 55.914 56.100 0.115 0.000 0.920 332 R CB 0.384 30.707 30.300 0.038 0.000 1.062 332 R HN 0.819 nan 8.270 nan 0.000 0.469 333 I N 3.149 123.793 120.570 0.123 0.000 2.956 333 I HA 0.359 4.531 4.170 0.004 0.000 0.311 333 I C -2.223 173.857 176.117 -0.061 0.000 1.436 333 I CA -2.257 59.053 61.300 0.017 0.000 0.872 333 I CB 1.554 39.487 38.000 -0.111 0.000 2.099 333 I HN 0.364 nan 8.210 nan 0.000 0.624 334 P HA -0.197 nan 4.420 nan 0.000 0.215 334 P C 1.250 178.501 177.300 -0.083 0.000 1.157 334 P CA 1.703 64.793 63.100 -0.017 0.000 0.874 334 P CB 0.199 31.899 31.700 -0.001 0.000 0.790 335 K N -0.965 119.384 120.400 -0.085 0.000 2.031 335 K HA -0.058 4.264 4.320 0.004 0.000 0.205 335 K C 2.223 178.714 176.600 -0.182 0.000 1.049 335 K CA 0.744 56.971 56.287 -0.100 0.000 0.939 335 K CB -1.036 31.429 32.500 -0.059 0.000 0.717 335 K HN 0.051 nan 8.250 nan 0.000 0.438 336 L N 2.187 123.258 121.223 -0.253 0.000 2.046 336 L HA -0.170 4.172 4.340 0.004 0.000 0.208 336 L C 2.336 178.734 176.870 -0.786 0.000 1.077 336 L CA 2.009 56.619 54.840 -0.383 0.000 0.747 336 L CB -0.865 40.985 42.059 -0.348 0.000 0.896 336 L HN 0.210 nan 8.230 nan 0.000 0.432 337 S N -1.325 113.792 115.700 -0.973 0.000 2.419 337 S HA -0.224 4.248 4.470 0.004 0.000 0.235 337 S C 1.869 176.184 174.600 -0.474 0.000 1.019 337 S CA 1.334 58.805 58.200 -1.215 0.000 0.982 337 S CB -0.571 62.175 63.200 -0.756 0.000 0.789 337 S HN 0.569 nan 8.310 nan 0.000 0.490 338 K N 0.875 121.116 120.400 -0.266 0.000 2.393 338 K HA 0.218 4.540 4.320 0.004 0.000 0.193 338 K C -0.072 176.490 176.600 -0.063 0.000 1.026 338 K CA 0.140 56.369 56.287 -0.098 0.000 1.064 338 K CB 0.013 32.476 32.500 -0.062 0.000 0.833 338 K HN 0.413 nan 8.250 nan 0.000 0.521 339 D N 1.176 121.518 120.400 -0.098 0.000 2.350 339 D HA 0.023 4.666 4.640 0.004 0.000 0.249 339 D C -1.448 174.883 176.300 0.052 0.000 1.119 339 D CA -2.012 51.974 54.000 -0.023 0.000 0.886 339 D CB 1.200 41.982 40.800 -0.030 0.000 1.195 339 D HN -0.111 nan 8.370 nan 0.000 0.437 340 P HA -0.054 nan 4.420 nan 0.000 0.233 340 P C 0.635 177.985 177.300 0.083 0.000 1.167 340 P CA 0.642 63.783 63.100 0.069 0.000 0.770 340 P CB 0.349 32.075 31.700 0.042 0.000 0.837 341 R N -2.051 118.503 120.500 0.090 0.000 2.276 341 R HA 0.064 4.407 4.340 0.004 0.000 0.196 341 R C 1.979 178.361 176.300 0.137 0.000 0.961 341 R CA -0.035 56.118 56.100 0.088 0.000 1.024 341 R CB -0.733 29.611 30.300 0.074 0.000 0.940 341 R HN 0.043 nan 8.270 nan 0.000 0.480 342 F N 2.262 122.198 119.950 -0.022 0.000 2.045 342 F HA -0.379 4.151 4.527 0.004 0.000 0.297 342 F C 2.384 178.162 175.800 -0.037 0.000 1.114 342 F CA 2.039 60.012 58.000 -0.044 0.000 1.207 342 F CB -0.856 38.095 39.000 -0.081 0.000 0.964 342 F HN 0.038 nan 8.300 nan 0.000 0.486 343 S N -0.596 115.040 115.700 -0.106 0.000 2.368 343 S HA -0.256 4.217 4.470 0.004 0.000 0.225 343 S C 2.093 176.608 174.600 -0.141 0.000 1.030 343 S CA 1.419 59.493 58.200 -0.210 0.000 0.999 343 S CB -0.607 62.542 63.200 -0.085 0.000 0.844 343 S HN 0.367 nan 8.310 nan 0.000 0.459 344 K N 1.535 121.898 120.400 -0.062 0.000 2.097 344 K HA 0.215 4.537 4.320 0.004 0.000 0.205 344 K C 1.846 178.411 176.600 -0.059 0.000 1.050 344 K CA 1.266 57.525 56.287 -0.047 0.000 0.938 344 K CB -0.777 31.714 32.500 -0.014 0.000 0.718 344 K HN 0.566 nan 8.250 nan 0.000 0.442 345 I N 0.276 120.821 120.570 -0.041 0.000 2.179 345 I HA -0.308 3.864 4.170 0.004 0.000 0.242 345 I C 2.065 178.122 176.117 -0.099 0.000 1.088 345 I CA 1.140 62.419 61.300 -0.035 0.000 1.357 345 I CB -0.264 37.786 38.000 0.084 0.000 1.051 345 I HN 0.090 nan 8.210 nan 0.000 0.409 346 L N 0.227 121.346 121.223 -0.174 0.000 1.989 346 L HA -0.244 4.098 4.340 0.004 0.000 0.211 346 L C 2.835 179.620 176.870 -0.142 0.000 1.071 346 L CA 1.554 56.271 54.840 -0.206 0.000 0.749 346 L CB -0.820 41.024 42.059 -0.359 0.000 0.890 346 L HN 0.153 nan 8.230 nan 0.000 0.431 347 E N 0.125 120.247 120.200 -0.129 0.000 2.048 347 E HA -0.256 4.096 4.350 0.004 0.000 0.202 347 E C 1.886 178.440 176.600 -0.076 0.000 1.021 347 E CA 1.747 58.094 56.400 -0.088 0.000 0.825 347 E CB -0.572 29.085 29.700 -0.070 0.000 0.756 347 E HN 0.538 nan 8.360 nan 0.000 0.454 348 N N 0.050 118.699 118.700 -0.083 0.000 2.223 348 N HA -0.019 4.723 4.740 0.004 0.000 0.185 348 N C 1.717 177.165 175.510 -0.103 0.000 1.016 348 N CA 0.857 53.855 53.050 -0.087 0.000 0.863 348 N CB -0.288 38.141 38.487 -0.098 0.000 0.983 348 N HN 0.281 nan 8.380 nan 0.000 0.429 349 L N 0.439 121.592 121.223 -0.118 0.000 2.610 349 L HA 0.134 4.477 4.340 0.004 0.000 0.232 349 L C 0.015 176.841 176.870 -0.073 0.000 1.149 349 L CA 0.058 54.830 54.840 -0.113 0.000 0.872 349 L CB -0.026 41.963 42.059 -0.117 0.000 0.992 349 L HN 0.053 nan 8.230 nan 0.000 0.447 350 R N -0.047 120.414 120.500 -0.065 0.000 3.423 350 R HA -0.133 4.210 4.340 0.004 0.000 0.271 350 R C -0.717 175.554 176.300 -0.047 0.000 1.093 350 R CA 0.633 56.706 56.100 -0.046 0.000 0.730 350 R CB -2.803 27.482 30.300 -0.026 0.000 1.190 350 R HN 0.322 nan 8.270 nan 0.000 0.437 351 L N -0.056 121.127 121.223 -0.066 0.000 2.330 351 L HA 0.487 4.829 4.340 0.004 0.000 0.271 351 L C 0.623 177.446 176.870 -0.078 0.000 1.013 351 L CA -0.682 54.118 54.840 -0.066 0.000 0.816 351 L CB 1.990 44.005 42.059 -0.073 0.000 1.287 351 L HN 0.075 nan 8.230 nan 0.000 0.435 352 Q N 2.043 121.810 119.800 -0.056 0.000 2.342 352 Q HA 0.320 4.662 4.340 0.004 0.000 0.267 352 Q C -1.194 174.792 176.000 -0.023 0.000 1.038 352 Q CA -0.804 54.971 55.803 -0.046 0.000 0.832 352 Q CB 2.471 31.197 28.738 -0.021 0.000 1.323 352 Q HN 0.399 nan 8.270 nan 0.000 0.448 353 K N 3.452 123.841 120.400 -0.018 0.000 2.248 353 K HA 0.386 4.708 4.320 0.004 0.000 0.281 353 K C -0.837 175.833 176.600 0.117 0.000 1.054 353 K CA -0.110 56.217 56.287 0.066 0.000 0.903 353 K CB 0.724 33.229 32.500 0.009 0.000 1.077 353 K HN 0.557 nan 8.250 nan 0.000 0.474 354 R N 1.522 122.096 120.500 0.123 0.000 2.888 354 R HA 0.403 4.745 4.340 0.004 0.000 0.264 354 R C -0.070 176.196 176.300 -0.058 0.000 1.045 354 R CA -1.065 55.059 56.100 0.039 0.000 0.962 354 R CB 1.617 31.939 30.300 0.038 0.000 1.210 354 R HN 0.736 nan 8.270 nan 0.000 0.479 355 G N -0.590 108.071 108.800 -0.233 0.000 2.616 355 G HA2 0.116 4.078 3.960 0.004 0.000 0.268 355 G HA3 0.116 4.078 3.960 0.004 0.000 0.268 355 G C 0.538 175.267 174.900 -0.286 0.000 1.213 355 G CA -0.416 44.467 45.100 -0.362 0.000 0.926 355 G HN 0.533 nan 8.290 nan 0.000 0.523 356 T N 0.006 114.336 114.554 -0.373 0.000 2.881 356 T HA -0.035 4.317 4.350 0.004 0.000 0.270 356 T C 2.036 176.643 174.700 -0.154 0.000 1.068 356 T CA 1.333 63.144 62.100 -0.482 0.000 1.131 356 T CB -0.000 68.627 68.868 -0.402 0.000 0.871 356 T HN 0.612 nan 8.240 nan 0.000 0.479 357 G N 0.163 108.936 108.800 -0.045 0.000 3.337 357 G HA2 0.523 4.485 3.960 0.004 0.000 0.246 357 G HA3 0.523 4.485 3.960 0.004 0.000 0.246 357 G C 0.619 175.576 174.900 0.096 0.000 1.131 357 G CA 0.060 45.219 45.100 0.100 0.000 0.773 357 G HN 0.812 nan 8.290 nan 0.000 0.544 358 G N -1.037 107.800 108.800 0.062 0.000 2.483 358 G HA2 -0.075 3.887 3.960 0.004 0.000 0.521 358 G HA3 -0.075 3.887 3.960 0.004 0.000 0.521 358 G C 0.801 175.711 174.900 0.015 0.000 1.278 358 G CA -0.036 45.114 45.100 0.083 0.000 0.965 358 G HN 0.750 nan 8.290 nan 0.000 0.504 359 V N 0.230 120.189 119.914 0.074 0.000 2.380 359 V HA -0.098 4.025 4.120 0.004 0.000 0.251 359 V C 1.931 178.157 176.094 0.221 0.000 1.063 359 V CA 3.211 65.572 62.300 0.103 0.000 1.055 359 V CB -0.386 31.484 31.823 0.079 0.000 0.657 359 V HN 0.657 nan 8.190 nan 0.000 0.455 360 D N 0.271 120.789 120.400 0.197 0.000 2.325 360 D HA 0.128 4.770 4.640 0.004 0.000 0.225 360 D C 0.781 177.137 176.300 0.094 0.000 1.096 360 D CA 0.808 54.991 54.000 0.305 0.000 0.844 360 D CB 0.108 41.050 40.800 0.235 0.000 0.925 360 D HN 0.731 nan 8.370 nan 0.000 0.513 361 T N -2.843 111.521 114.554 -0.317 0.000 2.916 361 T HA 0.738 5.091 4.350 0.004 0.000 0.292 361 T C -0.104 173.949 174.700 -1.078 0.000 1.055 361 T CA -0.973 60.846 62.100 -0.467 0.000 1.009 361 T CB 2.561 71.299 68.868 -0.217 0.000 1.118 361 T HN -0.067 nan 8.240 nan 0.000 0.497 362 A N 1.129 123.542 122.820 -0.678 0.000 2.286 362 A HA 0.788 5.110 4.320 0.004 0.000 0.286 362 A C 0.786 178.122 177.584 -0.412 0.000 1.097 362 A CA -0.487 51.246 52.037 -0.506 0.000 0.821 362 A CB -0.285 18.671 19.000 -0.074 0.000 1.076 362 A HN 1.582 nan 8.150 nan 0.000 0.490 363 A N 0.894 123.433 122.820 -0.469 0.000 2.491 363 A HA 0.474 4.797 4.320 0.004 0.000 0.261 363 A C -0.019 177.340 177.584 -0.376 0.000 1.101 363 A CA -0.046 51.610 52.037 -0.636 0.000 0.772 363 A CB -0.444 17.718 19.000 -1.397 0.000 1.043 363 A HN 0.950 nan 8.150 nan 0.000 0.501 364 V N 2.846 122.578 119.914 -0.303 0.000 2.407 364 V HA 0.498 4.620 4.120 0.004 0.000 0.278 364 V C 1.031 177.027 176.094 -0.163 0.000 1.037 364 V CA 0.691 62.879 62.300 -0.188 0.000 0.900 364 V CB 0.531 32.269 31.823 -0.142 0.000 0.983 364 V HN 2.104 nan 8.190 nan 0.000 0.459 365 A N 4.685 127.441 122.820 -0.108 0.000 2.822 365 A HA -0.177 4.145 4.320 0.004 0.000 0.287 365 A C 0.793 178.343 177.584 -0.057 0.000 1.479 365 A CA 0.760 52.756 52.037 -0.068 0.000 0.779 365 A CB -1.844 17.120 19.000 -0.060 0.000 1.022 365 A HN 1.168 nan 8.150 nan 0.000 0.532 366 D N -3.787 116.577 120.400 -0.061 0.000 3.076 366 D HA -0.180 4.462 4.640 0.004 0.000 0.218 366 D C 0.057 176.402 176.300 0.075 0.000 1.156 366 D CA 1.309 55.343 54.000 0.057 0.000 0.921 366 D CB -2.122 38.726 40.800 0.080 0.000 1.113 366 D HN 1.055 nan 8.370 nan 0.000 0.418 367 V N 1.581 121.426 119.914 -0.115 0.000 2.353 367 V HA 0.222 4.345 4.120 0.004 0.000 0.264 367 V C 0.186 176.118 176.094 -0.269 0.000 1.049 367 V CA -0.321 61.907 62.300 -0.121 0.000 0.896 367 V CB 0.131 31.841 31.823 -0.189 0.000 1.025 367 V HN -0.009 nan 8.190 nan 0.000 0.475 368 Y N 2.143 122.401 120.300 -0.071 0.000 2.361 368 Y HA 0.426 4.978 4.550 0.004 0.000 0.332 368 Y C 0.445 176.354 175.900 0.014 0.000 1.101 368 Y CA -0.956 57.132 58.100 -0.020 0.000 1.137 368 Y CB 1.320 39.840 38.460 0.101 0.000 1.207 368 Y HN 0.577 nan 8.280 nan 0.000 0.463 369 D N 3.571 124.064 120.400 0.155 0.000 2.347 369 D HA 0.227 4.869 4.640 0.004 0.000 0.235 369 D C -1.059 175.338 176.300 0.162 0.000 1.149 369 D CA -0.075 54.060 54.000 0.224 0.000 0.850 369 D CB 0.326 41.242 40.800 0.194 0.000 1.061 369 D HN 0.257 nan 8.370 nan 0.000 0.487 370 I N 3.252 123.891 120.570 0.116 0.000 2.406 370 I HA 0.314 4.486 4.170 0.004 0.000 0.290 370 I C 0.234 176.354 176.117 0.004 0.000 0.999 370 I CA -0.606 60.726 61.300 0.054 0.000 1.124 370 I CB 0.940 38.961 38.000 0.034 0.000 1.289 370 I HN 0.445 nan 8.210 nan 0.000 0.441 371 S N 5.141 120.837 115.700 -0.006 0.000 2.651 371 S HA 0.518 4.991 4.470 0.004 0.000 0.279 371 S C -0.724 173.859 174.600 -0.029 0.000 1.148 371 S CA -1.075 57.111 58.200 -0.022 0.000 0.837 371 S CB 2.099 65.289 63.200 -0.017 0.000 1.138 371 S HN 0.619 nan 8.310 nan 0.000 0.478 372 N N 0.573 119.252 118.700 -0.035 0.000 2.458 372 N HA 0.065 4.807 4.740 0.004 0.000 0.258 372 N C 0.491 175.988 175.510 -0.020 0.000 1.219 372 N CA -0.376 52.656 53.050 -0.030 0.000 0.902 372 N CB 0.948 39.413 38.487 -0.035 0.000 1.076 372 N HN 0.771 nan 8.380 nan 0.000 0.455 373 I N -0.116 120.443 120.570 -0.019 0.000 2.867 373 I HA -0.018 4.154 4.170 0.004 0.000 0.265 373 I C -0.264 175.849 176.117 -0.006 0.000 1.162 373 I CA 0.403 61.689 61.300 -0.024 0.000 1.471 373 I CB 0.165 38.140 38.000 -0.042 0.000 1.123 373 I HN 0.444 nan 8.210 nan 0.000 0.440 374 D N 0.672 121.093 120.400 0.034 0.000 2.253 374 D HA 0.305 4.947 4.640 0.004 0.000 0.249 374 D C 0.518 176.903 176.300 0.141 0.000 1.049 374 D CA -0.205 53.880 54.000 0.142 0.000 0.929 374 D CB 1.279 42.160 40.800 0.135 0.000 1.176 374 D HN 0.173 nan 8.370 nan 0.000 0.437 375 R N 0.352 120.975 120.500 0.206 0.000 2.582 375 R HA 0.341 4.683 4.340 0.004 0.000 0.285 375 R C 0.147 176.333 176.300 -0.191 0.000 0.940 375 R CA -0.217 55.895 56.100 0.019 0.000 1.072 375 R CB 1.273 31.607 30.300 0.057 0.000 1.527 375 R HN 0.356 nan 8.270 nan 0.000 0.538 376 I N -0.207 120.132 120.570 -0.385 0.000 2.569 376 I HA 0.427 4.599 4.170 0.004 0.000 0.296 376 I C 0.344 176.151 176.117 -0.516 0.000 1.028 376 I CA 0.189 61.081 61.300 -0.680 0.000 1.082 376 I CB 1.996 39.334 38.000 -1.104 0.000 1.264 376 I HN 0.366 nan 8.210 nan 0.000 0.429 377 G N 5.381 113.989 108.800 -0.321 0.000 2.176 377 G HA2 -0.214 3.749 3.960 0.004 0.000 0.253 377 G HA3 -0.214 3.749 3.960 0.004 0.000 0.253 377 G C 0.147 175.085 174.900 0.063 0.000 0.979 377 G CA -0.137 44.915 45.100 -0.080 0.000 0.641 377 G HN 0.598 nan 8.290 nan 0.000 0.530 378 R N 0.307 120.847 120.500 0.067 0.000 2.673 378 R HA 0.589 4.932 4.340 0.004 0.000 0.281 378 R C 0.432 176.784 176.300 0.087 0.000 0.991 378 R CA 0.007 56.138 56.100 0.053 0.000 0.896 378 R CB 1.806 32.133 30.300 0.044 0.000 1.201 378 R HN 0.455 nan 8.270 nan 0.000 0.457 379 S N 0.826 116.544 115.700 0.031 0.000 2.624 379 S HA 0.058 4.530 4.470 0.004 0.000 0.263 379 S C 0.814 175.478 174.600 0.106 0.000 1.287 379 S CA -0.418 57.816 58.200 0.056 0.000 0.990 379 S CB 1.044 64.258 63.200 0.023 0.000 0.950 379 S HN 0.587 nan 8.310 nan 0.000 0.561 380 E N 0.574 120.878 120.200 0.173 0.000 2.085 380 E HA -0.081 4.271 4.350 0.004 0.000 0.194 380 E C 1.937 178.574 176.600 0.062 0.000 0.994 380 E CA 1.302 57.812 56.400 0.184 0.000 0.801 380 E CB -0.684 29.257 29.700 0.402 0.000 0.743 380 E HN 0.477 nan 8.360 nan 0.000 0.453 381 V N 0.958 120.971 119.914 0.164 0.000 2.358 381 V HA -0.257 3.865 4.120 0.004 0.000 0.246 381 V C 1.947 178.021 176.094 -0.033 0.000 1.047 381 V CA 1.967 64.324 62.300 0.096 0.000 1.035 381 V CB -0.406 31.527 31.823 0.184 0.000 0.658 381 V HN 0.276 nan 8.190 nan 0.000 0.452 382 E N -0.119 120.082 120.200 0.002 0.000 2.110 382 E HA -0.185 4.167 4.350 0.004 0.000 0.193 382 E C 2.204 178.779 176.600 -0.041 0.000 0.988 382 E CA 1.161 57.555 56.400 -0.010 0.000 0.804 382 E CB -0.159 29.547 29.700 0.011 0.000 0.745 382 E HN 0.509 nan 8.360 nan 0.000 0.458 383 L N 0.287 121.474 121.223 -0.060 0.000 2.072 383 L HA -0.137 4.205 4.340 0.004 0.000 0.205 383 L C 2.410 179.192 176.870 -0.146 0.000 1.079 383 L CA 0.552 55.344 54.840 -0.080 0.000 0.752 383 L CB -0.250 41.769 42.059 -0.065 0.000 0.906 383 L HN 0.040 nan 8.230 nan 0.000 0.436 384 V N -0.467 119.279 119.914 -0.280 0.000 2.407 384 V HA -0.284 3.838 4.120 0.004 0.000 0.248 384 V C 2.446 178.430 176.094 -0.182 0.000 1.055 384 V CA 1.620 63.697 62.300 -0.372 0.000 1.049 384 V CB -0.399 30.901 31.823 -0.872 0.000 0.662 384 V HN 0.422 nan 8.190 nan 0.000 0.455 385 Q N 0.253 119.976 119.800 -0.129 0.000 2.046 385 Q HA -0.130 4.212 4.340 0.004 0.000 0.200 385 Q C 1.981 177.972 176.000 -0.016 0.000 0.975 385 Q CA 1.870 57.643 55.803 -0.050 0.000 0.836 385 Q CB -0.478 28.244 28.738 -0.027 0.000 0.896 385 Q HN 0.620 nan 8.270 nan 0.000 0.428 386 I N -0.685 119.870 120.570 -0.025 0.000 2.151 386 I HA -0.311 3.862 4.170 0.004 0.000 0.243 386 I C 1.997 178.118 176.117 0.007 0.000 1.080 386 I CA 1.115 62.408 61.300 -0.011 0.000 1.339 386 I CB -0.248 37.740 38.000 -0.021 0.000 1.039 386 I HN 0.070 nan 8.210 nan 0.000 0.409 387 V N 0.683 120.599 119.914 0.002 0.000 2.427 387 V HA -0.254 3.869 4.120 0.004 0.000 0.248 387 V C 2.221 178.414 176.094 0.164 0.000 1.051 387 V CA 1.659 63.984 62.300 0.041 0.000 1.048 387 V CB -0.348 31.484 31.823 0.014 0.000 0.666 387 V HN 0.325 nan 8.190 nan 0.000 0.456 388 I N 0.233 120.913 120.570 0.183 0.000 2.142 388 I HA -0.228 3.945 4.170 0.004 0.000 0.240 388 I C 2.307 178.602 176.117 0.298 0.000 1.078 388 I CA 1.748 63.237 61.300 0.314 0.000 1.343 388 I CB -0.432 37.603 38.000 0.059 0.000 1.046 388 I HN 0.314 nan 8.210 nan 0.000 0.405 389 D N 0.747 121.237 120.400 0.150 0.000 2.117 389 D HA -0.123 4.519 4.640 0.004 0.000 0.198 389 D C 2.162 178.547 176.300 0.141 0.000 0.982 389 D CA 1.528 55.607 54.000 0.131 0.000 0.828 389 D CB -0.673 40.171 40.800 0.074 0.000 0.967 389 D HN 0.403 nan 8.370 nan 0.000 0.464 390 G N 0.717 109.571 108.800 0.091 0.000 2.421 390 G HA2 -0.198 3.764 3.960 0.004 0.000 0.216 390 G HA3 -0.198 3.764 3.960 0.004 0.000 0.216 390 G C 1.849 176.795 174.900 0.075 0.000 1.171 390 G CA 0.713 45.849 45.100 0.059 0.000 0.775 390 G HN 0.239 nan 8.290 nan 0.000 0.543 391 V N 1.312 121.239 119.914 0.022 0.000 2.358 391 V HA -0.155 3.967 4.120 0.004 0.000 0.246 391 V C 2.665 178.727 176.094 -0.054 0.000 1.047 391 V CA 1.647 63.863 62.300 -0.139 0.000 1.035 391 V CB -0.442 31.022 31.823 -0.599 0.000 0.658 391 V HN 0.295 nan 8.190 nan 0.000 0.452 392 N N -0.447 118.333 118.700 0.133 0.000 2.104 392 N HA -0.225 4.517 4.740 0.004 0.000 0.190 392 N C 1.783 177.337 175.510 0.073 0.000 1.024 392 N CA 1.848 54.989 53.050 0.151 0.000 0.853 392 N CB -0.462 38.149 38.487 0.206 0.000 1.008 392 N HN 0.611 nan 8.380 nan 0.000 0.424 393 Y N 1.675 121.978 120.300 0.004 0.000 2.165 393 Y HA -0.106 4.446 4.550 0.004 0.000 0.286 393 Y C 2.304 178.182 175.900 -0.037 0.000 1.155 393 Y CA 1.352 59.444 58.100 -0.014 0.000 1.164 393 Y CB -0.283 38.174 38.460 -0.004 0.000 0.978 393 Y HN 0.009 nan 8.280 nan 0.000 0.513 394 L N -1.466 119.835 121.223 0.130 0.000 2.046 394 L HA -0.227 4.115 4.340 0.004 0.000 0.208 394 L C 2.265 179.074 176.870 -0.103 0.000 1.077 394 L CA 1.098 55.969 54.840 0.052 0.000 0.747 394 L CB -0.797 41.304 42.059 0.069 0.000 0.896 394 L HN 0.115 nan 8.230 nan 0.000 0.432 395 V N 0.000 119.819 119.914 -0.159 0.000 2.358 395 V HA -0.295 3.828 4.120 0.004 0.000 0.246 395 V C 2.177 178.039 176.094 -0.385 0.000 1.047 395 V CA 2.059 64.160 62.300 -0.333 0.000 1.035 395 V CB -0.454 31.190 31.823 -0.299 0.000 0.658 395 V HN 0.476 nan 8.190 nan 0.000 0.452 396 D N -0.472 119.759 120.400 -0.281 0.000 2.104 396 D HA -0.202 4.440 4.640 0.004 0.000 0.194 396 D C 2.148 178.269 176.300 -0.297 0.000 0.994 396 D CA 2.067 55.894 54.000 -0.289 0.000 0.830 396 D CB -0.290 40.321 40.800 -0.315 0.000 0.959 396 D HN 0.448 nan 8.370 nan 0.000 0.452 397 C N 0.133 119.241 119.300 -0.320 0.000 2.413 397 C HA -0.097 4.365 4.460 0.004 0.000 0.276 397 C C 2.530 177.419 174.990 -0.168 0.000 1.236 397 C CA 1.060 59.941 59.018 -0.229 0.000 1.735 397 C CB -1.129 26.526 27.740 -0.143 0.000 2.031 397 C HN 0.476 nan 8.230 nan 0.000 0.474 398 E N 1.259 121.345 120.200 -0.189 0.000 2.058 398 E HA -0.184 4.168 4.350 0.004 0.000 0.194 398 E C 2.061 178.592 176.600 -0.115 0.000 0.997 398 E CA 1.619 57.932 56.400 -0.144 0.000 0.801 398 E CB -0.212 29.395 29.700 -0.155 0.000 0.746 398 E HN 0.531 nan 8.360 nan 0.000 0.450 399 K N 0.201 120.472 120.400 -0.214 0.000 2.032 399 K HA -0.155 4.168 4.320 0.004 0.000 0.209 399 K C 2.288 178.844 176.600 -0.074 0.000 1.048 399 K CA 1.728 57.944 56.287 -0.117 0.000 0.927 399 K CB -0.149 32.252 32.500 -0.165 0.000 0.712 399 K HN 0.029 nan 8.250 nan 0.000 0.441 400 K N 0.825 121.162 120.400 -0.105 0.000 2.032 400 K HA -0.135 4.187 4.320 0.004 0.000 0.209 400 K C 2.116 178.683 176.600 -0.055 0.000 1.048 400 K CA 1.354 57.593 56.287 -0.080 0.000 0.927 400 K CB -0.201 32.239 32.500 -0.101 0.000 0.712 400 K HN 0.096 nan 8.250 nan 0.000 0.441 401 L N 0.872 122.059 121.223 -0.059 0.000 2.141 401 L HA -0.167 4.176 4.340 0.004 0.000 0.209 401 L C 2.195 179.050 176.870 -0.025 0.000 1.094 401 L CA 1.120 55.935 54.840 -0.042 0.000 0.763 401 L CB -0.349 41.678 42.059 -0.052 0.000 0.908 401 L HN 0.249 nan 8.230 nan 0.000 0.437 402 E N 0.332 120.524 120.200 -0.013 0.000 2.118 402 E HA -0.213 4.139 4.350 0.004 0.000 0.195 402 E C 1.766 178.363 176.600 -0.005 0.000 0.992 402 E CA 1.102 57.504 56.400 0.004 0.000 0.804 402 E CB 0.035 29.756 29.700 0.034 0.000 0.741 402 E HN 0.433 nan 8.360 nan 0.000 0.458 403 R N -0.634 119.859 120.500 -0.011 0.000 2.388 403 R HA 0.139 4.482 4.340 0.004 0.000 0.247 403 R C 0.795 177.086 176.300 -0.015 0.000 0.931 403 R CA 0.430 56.522 56.100 -0.013 0.000 1.082 403 R CB 0.679 30.970 30.300 -0.015 0.000 1.135 403 R HN 0.174 nan 8.270 nan 0.000 0.525 404 G N 0.678 109.468 108.800 -0.017 0.000 2.225 404 G HA2 -0.310 3.652 3.960 0.004 0.000 0.267 404 G HA3 -0.310 3.652 3.960 0.004 0.000 0.267 404 G C -0.229 174.660 174.900 -0.018 0.000 1.024 404 G CA 0.202 45.292 45.100 -0.016 0.000 0.784 404 G HN 0.278 nan 8.290 nan 0.000 0.507 405 Q N -0.344 119.442 119.800 -0.024 0.000 2.235 405 Q HA 0.497 4.839 4.340 0.004 0.000 0.250 405 Q C 0.265 176.249 176.000 -0.027 0.000 0.909 405 Q CA -0.606 55.182 55.803 -0.025 0.000 0.910 405 Q CB 1.950 30.669 28.738 -0.032 0.000 1.223 405 Q HN 0.481 nan 8.270 nan 0.000 0.432 406 D N 0.872 121.261 120.400 -0.019 0.000 2.382 406 D HA 0.242 4.884 4.640 0.004 0.000 0.240 406 D C 0.033 176.321 176.300 -0.020 0.000 1.146 406 D CA -0.115 53.877 54.000 -0.014 0.000 0.897 406 D CB 0.425 41.223 40.800 -0.004 0.000 1.197 406 D HN 0.613 nan 8.370 nan 0.000 0.432 407 I N -1.296 119.268 120.570 -0.010 0.000 2.846 407 I HA 0.539 4.712 4.170 0.004 0.000 0.307 407 I C -0.570 175.572 176.117 0.041 0.000 1.053 407 I CA -1.048 60.247 61.300 -0.009 0.000 1.050 407 I CB 2.074 40.060 38.000 -0.024 0.000 1.239 407 I HN -0.112 nan 8.210 nan 0.000 0.439 408 K N 3.344 123.798 120.400 0.090 0.000 2.156 408 K HA 0.515 4.837 4.320 0.004 0.000 0.254 408 K C -0.903 175.819 176.600 0.202 0.000 0.950 408 K CA -0.872 55.494 56.287 0.132 0.000 0.849 408 K CB 2.560 35.144 32.500 0.140 0.000 1.100 408 K HN 0.533 nan 8.250 nan 0.000 0.434 409 V N 5.049 125.031 119.914 0.114 0.000 2.455 409 V HA 0.135 4.257 4.120 0.004 0.000 0.273 409 V C -1.731 174.367 176.094 0.006 0.000 1.045 409 V CA -1.371 60.971 62.300 0.069 0.000 0.976 409 V CB 0.488 32.331 31.823 0.033 0.000 0.993 409 V HN 0.637 nan 8.190 nan 0.000 0.475 410 P HA 0.298 nan 4.420 nan 0.000 0.274 410 P C -2.650 174.573 177.300 -0.129 0.000 1.237 410 P CA -1.656 61.316 63.100 -0.213 0.000 0.793 410 P CB 0.081 31.425 31.700 -0.594 0.000 0.977 411 P HA 0.189 nan 4.420 nan 0.000 0.272 411 P C -2.411 174.844 177.300 -0.075 0.000 1.223 411 P CA -1.649 61.414 63.100 -0.061 0.000 0.784 411 P CB -1.070 30.606 31.700 -0.039 0.000 0.923 412 P HA 0.018 nan 4.420 nan 0.000 0.264 412 P C -1.182 176.093 177.300 -0.042 0.000 1.193 412 P CA 0.060 63.131 63.100 -0.049 0.000 0.763 412 P CB 0.563 32.245 31.700 -0.031 0.000 0.810 413 L N 0.000 121.196 121.223 -0.045 0.000 2.949 413 L HA 0.000 4.342 4.340 0.004 0.000 0.249 413 L CA 0.000 54.821 54.840 -0.031 0.000 0.813 413 L CB 0.000 42.040 42.059 -0.032 0.000 0.961 413 L HN 0.000 nan 8.230 nan 0.000 0.502