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 1n9g_1_B DATA FIRST_RESID 23 DATA SEQUENCE MITAQAVLYT QHGEPKDVLF TQSFEIDDDN LAPNEVIVKT LGSPVNPSDI DATA SEQUENCE NQIQGVYPSK PAKTTGFGTT EPAAPCGNEG LFEVIKVGSN VSSLEAGDWV DATA SEQUENCE IPSHVNFGTW RTHALGNDDD FIKLPNPAQS KANGKPNGLT INQGATISVN DATA SEQUENCE PLTAYLMLTH YVKLTPGKDW FIQNGGTSAV GKYASQIGKL LNFNSISVIR DATA SEQUENCE DRPNLDEVVA SLKELGATQV ITEDQNNSRE FGPTIKEWIK QSGGEAKLAL DATA SEQUENCE NCVGGKSSTG IARKLNNNGL MLTYGGMSFQ PVTIPTSLYI FKNFTSAGFW DATA SEQUENCE VTELLKNNKE LKTSTLNQII AWYEEGKLTD AKSIETLYDG TKPLHELYQD DATA SEQUENCE GVANSKDGKQ LITY 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 23 M HA 0.000 nan 4.480 nan 0.000 0.227 23 M C 0.000 176.250 176.300 -0.083 0.000 1.140 23 M CA 0.000 55.270 55.300 -0.050 0.000 0.988 23 M CB 0.000 32.576 32.600 -0.039 0.000 1.302 24 I N 1.619 122.106 120.570 -0.138 0.000 2.353 24 I HA 0.325 4.496 4.170 0.001 0.000 0.293 24 I C 0.377 176.336 176.117 -0.262 0.000 0.992 24 I CA -0.284 60.875 61.300 -0.235 0.000 1.268 24 I CB 1.931 39.693 38.000 -0.396 0.000 1.387 24 I HN 0.557 nan 8.210 nan 0.000 0.478 25 T N 6.361 120.783 114.554 -0.220 0.000 2.738 25 T HA 0.531 4.882 4.350 0.001 0.000 0.298 25 T C 0.116 174.672 174.700 -0.239 0.000 0.962 25 T CA -0.410 61.573 62.100 -0.194 0.000 0.972 25 T CB 0.763 69.589 68.868 -0.070 0.000 0.928 25 T HN 0.673 nan 8.240 nan 0.000 0.474 26 A N 3.903 126.457 122.820 -0.442 0.000 2.269 26 A HA 0.795 5.115 4.320 0.001 0.000 0.327 26 A C -0.464 177.029 177.584 -0.151 0.000 1.112 26 A CA -0.799 51.023 52.037 -0.359 0.000 0.865 26 A CB 0.906 19.407 19.000 -0.831 0.000 1.227 26 A HN 0.595 nan 8.150 nan 0.000 0.498 27 Q N -0.416 119.476 119.800 0.154 0.000 2.337 27 Q HA 0.643 4.984 4.340 0.001 0.000 0.270 27 Q C -0.941 175.276 176.000 0.361 0.000 1.043 27 Q CA -0.488 55.477 55.803 0.271 0.000 0.794 27 Q CB 2.071 30.903 28.738 0.157 0.000 1.281 27 Q HN 0.912 nan 8.270 nan 0.000 0.446 28 A N 1.705 124.690 122.820 0.274 0.000 2.365 28 A HA 0.689 5.010 4.320 0.001 0.000 0.318 28 A C -0.531 176.941 177.584 -0.186 0.000 1.091 28 A CA -0.644 51.360 52.037 -0.054 0.000 0.763 28 A CB 1.363 20.017 19.000 -0.576 0.000 1.248 28 A HN 0.415 nan 8.150 nan 0.000 0.442 29 V N 3.516 123.333 119.914 -0.162 0.000 2.432 29 V HA 0.363 4.484 4.120 0.001 0.000 0.271 29 V C 0.004 175.872 176.094 -0.377 0.000 1.046 29 V CA 0.259 62.462 62.300 -0.162 0.000 0.945 29 V CB 0.078 31.932 31.823 0.052 0.000 0.992 29 V HN 0.699 nan 8.190 nan 0.000 0.471 30 L N 5.602 126.438 121.223 -0.645 0.000 2.309 30 L HA 0.744 5.084 4.340 0.001 0.000 0.261 30 L C -0.975 175.522 176.870 -0.623 0.000 1.021 30 L CA -1.000 53.363 54.840 -0.796 0.000 0.823 30 L CB 2.303 43.728 42.059 -1.057 0.000 1.366 30 L HN 0.738 nan 8.230 nan 0.000 0.423 31 Y N -2.659 117.417 120.300 -0.373 0.000 2.534 31 Y HA 0.518 5.068 4.550 0.001 0.000 0.345 31 Y C 0.415 176.316 175.900 0.001 0.000 1.031 31 Y CA -0.749 57.295 58.100 -0.093 0.000 1.022 31 Y CB 1.389 39.807 38.460 -0.069 0.000 1.292 31 Y HN 0.544 nan 8.280 nan 0.000 0.459 32 T N -1.950 112.742 114.554 0.230 0.000 3.014 32 T HA 0.178 4.529 4.350 0.001 0.000 0.250 32 T C -0.009 174.737 174.700 0.076 0.000 1.060 32 T CA 0.567 62.721 62.100 0.090 0.000 1.040 32 T CB -0.079 68.858 68.868 0.114 0.000 0.971 32 T HN 0.805 nan 8.240 nan 0.000 0.497 33 Q N 0.021 119.926 119.800 0.175 0.000 2.379 33 Q HA 0.392 4.733 4.340 0.001 0.000 0.278 33 Q C -1.455 174.617 176.000 0.120 0.000 1.068 33 Q CA -1.095 54.770 55.803 0.103 0.000 0.816 33 Q CB 1.053 29.841 28.738 0.084 0.000 1.387 33 Q HN 0.194 nan 8.270 nan 0.000 0.413 34 H N 0.404 119.553 119.070 0.132 0.000 2.871 34 H HA 0.586 5.143 4.556 0.001 0.000 0.355 34 H C 0.445 175.749 175.328 -0.039 0.000 1.092 34 H CA 1.555 57.586 56.048 -0.028 0.000 1.420 34 H CB 1.395 31.160 29.762 0.006 0.000 1.400 34 H HN 0.944 nan 8.280 nan 0.000 0.604 35 G N 1.638 110.461 108.800 0.038 0.000 2.333 35 G HA2 0.002 3.963 3.960 0.001 0.000 0.288 35 G HA3 0.002 3.963 3.960 0.001 0.000 0.288 35 G C -1.190 173.701 174.900 -0.014 0.000 1.286 35 G CA -0.849 44.265 45.100 0.025 0.000 0.865 35 G HN 0.374 nan 8.290 nan 0.000 0.506 36 E N 0.707 120.915 120.200 0.013 0.000 2.384 36 E HA 0.212 4.563 4.350 0.001 0.000 0.266 36 E C -1.508 175.108 176.600 0.026 0.000 1.012 36 E CA -1.505 54.906 56.400 0.018 0.000 0.901 36 E CB 1.405 31.126 29.700 0.035 0.000 0.967 36 E HN 0.061 nan 8.360 nan 0.000 0.435 37 P HA -0.234 nan 4.420 nan 0.000 0.217 37 P C 1.115 178.485 177.300 0.116 0.000 1.151 37 P CA 1.910 65.062 63.100 0.087 0.000 0.849 37 P CB 0.148 31.932 31.700 0.140 0.000 0.787 38 K N -1.374 119.084 120.400 0.096 0.000 2.360 38 K HA -0.112 4.209 4.320 0.001 0.000 0.201 38 K C 0.952 177.614 176.600 0.104 0.000 1.046 38 K CA 1.498 57.845 56.287 0.101 0.000 0.945 38 K CB -0.439 32.106 32.500 0.074 0.000 0.750 38 K HN 0.124 nan 8.250 nan 0.000 0.464 39 D N 0.700 121.154 120.400 0.090 0.000 2.431 39 D HA -0.030 4.611 4.640 0.001 0.000 0.227 39 D C 1.855 178.214 176.300 0.098 0.000 1.030 39 D CA 1.056 55.106 54.000 0.083 0.000 0.897 39 D CB 0.806 41.644 40.800 0.063 0.000 1.058 39 D HN 0.251 nan 8.370 nan 0.000 0.500 40 V N -1.730 118.249 119.914 0.108 0.000 3.635 40 V HA 0.315 4.436 4.120 0.001 0.000 0.266 40 V C 0.794 177.016 176.094 0.214 0.000 1.316 40 V CA -0.233 62.152 62.300 0.142 0.000 1.060 40 V CB 0.096 31.980 31.823 0.101 0.000 0.820 40 V HN -0.108 nan 8.190 nan 0.000 0.447 41 L N 2.442 123.768 121.223 0.173 0.000 2.417 41 L HA 0.556 4.897 4.340 0.001 0.000 0.268 41 L C -0.101 176.792 176.870 0.039 0.000 1.158 41 L CA -0.184 54.737 54.840 0.135 0.000 0.819 41 L CB 1.059 43.238 42.059 0.201 0.000 1.112 41 L HN 0.546 nan 8.230 nan 0.000 0.458 42 F N -0.802 119.013 119.950 -0.226 0.000 2.715 42 F HA 0.621 5.149 4.527 0.001 0.000 0.318 42 F C -0.658 174.987 175.800 -0.259 0.000 1.141 42 F CA -0.948 56.710 58.000 -0.571 0.000 0.950 42 F CB 1.395 40.208 39.000 -0.313 0.000 1.374 42 F HN 0.138 nan 8.300 nan 0.000 0.477 43 T N 1.459 116.033 114.554 0.033 0.000 2.795 43 T HA 0.462 4.813 4.350 0.001 0.000 0.282 43 T C -1.106 173.741 174.700 0.245 0.000 0.980 43 T CA -0.376 61.819 62.100 0.158 0.000 1.012 43 T CB 1.323 70.398 68.868 0.346 0.000 0.936 43 T HN 0.672 nan 8.240 nan 0.000 0.457 44 Q N 2.327 122.201 119.800 0.124 0.000 2.333 44 Q HA 0.487 4.827 4.340 0.001 0.000 0.268 44 Q C -0.328 175.848 176.000 0.293 0.000 1.007 44 Q CA -0.514 55.425 55.803 0.227 0.000 0.810 44 Q CB 1.378 30.205 28.738 0.149 0.000 1.264 44 Q HN 0.680 nan 8.270 nan 0.000 0.452 45 S N 5.323 121.194 115.700 0.285 0.000 2.523 45 S HA 0.707 5.178 4.470 0.001 0.000 0.275 45 S C -0.632 174.187 174.600 0.365 0.000 1.281 45 S CA -0.515 57.852 58.200 0.278 0.000 1.050 45 S CB -0.146 63.158 63.200 0.175 0.000 0.937 45 S HN 0.519 nan 8.310 nan 0.000 0.492 46 F N 0.816 120.850 119.950 0.139 0.000 2.629 46 F HA 0.741 5.269 4.527 0.001 0.000 0.316 46 F C -0.670 175.181 175.800 0.085 0.000 1.081 46 F CA -1.183 56.896 58.000 0.132 0.000 0.954 46 F CB 1.209 40.337 39.000 0.214 0.000 1.337 46 F HN 0.430 nan 8.300 nan 0.000 0.474 47 E N 2.145 122.384 120.200 0.066 0.000 2.166 47 E HA 0.561 4.912 4.350 0.001 0.000 0.275 47 E C -1.144 175.443 176.600 -0.022 0.000 0.941 47 E CA -0.762 55.600 56.400 -0.064 0.000 0.784 47 E CB 2.658 32.356 29.700 -0.003 0.000 1.115 47 E HN 0.530 nan 8.360 nan 0.000 0.399 48 I N 1.947 122.448 120.570 -0.114 0.000 2.433 48 I HA 0.146 4.317 4.170 0.001 0.000 0.292 48 I C -0.278 175.813 176.117 -0.043 0.000 1.001 48 I CA -0.811 60.467 61.300 -0.038 0.000 1.119 48 I CB 1.580 39.552 38.000 -0.046 0.000 1.289 48 I HN 0.367 nan 8.210 nan 0.000 0.438 49 D N 6.011 126.405 120.400 -0.010 0.000 2.374 49 D HA 0.017 4.658 4.640 0.001 0.000 0.240 49 D C 0.446 176.743 176.300 -0.005 0.000 1.229 49 D CA -0.056 53.938 54.000 -0.010 0.000 0.895 49 D CB 0.752 41.552 40.800 0.000 0.000 1.046 49 D HN 0.532 nan 8.370 nan 0.000 0.498 50 D N 1.765 122.156 120.400 -0.015 0.000 2.339 50 D HA -0.028 4.613 4.640 0.001 0.000 0.217 50 D C -0.499 175.802 176.300 0.001 0.000 1.050 50 D CA -0.208 53.789 54.000 -0.005 0.000 0.856 50 D CB 0.333 41.124 40.800 -0.014 0.000 0.922 50 D HN 0.214 nan 8.370 nan 0.000 0.518 51 D N 1.334 121.734 120.400 -0.001 0.000 2.163 51 D HA 0.154 4.795 4.640 0.001 0.000 0.248 51 D C 0.322 176.625 176.300 0.005 0.000 1.035 51 D CA -0.422 53.580 54.000 0.002 0.000 0.872 51 D CB 0.792 41.591 40.800 -0.000 0.000 1.183 51 D HN -0.076 nan 8.370 nan 0.000 0.445 52 N N 1.263 119.967 118.700 0.007 0.000 2.681 52 N HA -0.175 4.566 4.740 0.001 0.000 0.259 52 N C -0.414 175.102 175.510 0.010 0.000 1.066 52 N CA 0.318 53.372 53.050 0.007 0.000 0.717 52 N CB -1.037 37.453 38.487 0.005 0.000 0.885 52 N HN 0.492 nan 8.380 nan 0.000 0.547 53 L N 0.421 121.652 121.223 0.013 0.000 2.456 53 L HA 0.241 4.582 4.340 0.001 0.000 0.272 53 L C 1.520 178.400 176.870 0.016 0.000 1.189 53 L CA -0.133 54.718 54.840 0.018 0.000 0.846 53 L CB 0.384 42.457 42.059 0.024 0.000 1.111 53 L HN 0.404 nan 8.230 nan 0.000 0.475 54 A N 5.163 127.994 122.820 0.017 0.000 2.492 54 A HA 0.157 4.478 4.320 0.001 0.000 0.236 54 A C -1.468 176.127 177.584 0.018 0.000 1.078 54 A CA -0.812 51.234 52.037 0.015 0.000 0.773 54 A CB -0.290 18.719 19.000 0.014 0.000 1.023 54 A HN 0.658 nan 8.150 nan 0.000 0.504 55 P HA -0.109 nan 4.420 nan 0.000 0.216 55 P C 0.709 178.022 177.300 0.022 0.000 1.150 55 P CA 1.405 64.514 63.100 0.016 0.000 0.837 55 P CB 0.120 31.827 31.700 0.012 0.000 0.786 56 N N -1.106 117.609 118.700 0.025 0.000 2.236 56 N HA 0.046 4.787 4.740 0.001 0.000 0.196 56 N C 0.344 175.884 175.510 0.050 0.000 1.114 56 N CA 0.243 53.313 53.050 0.033 0.000 0.859 56 N CB 0.294 38.797 38.487 0.026 0.000 0.982 56 N HN 0.356 nan 8.380 nan 0.000 0.493 57 E N 0.584 120.814 120.200 0.049 0.000 2.373 57 E HA 0.332 4.682 4.350 0.001 0.000 0.263 57 E C -0.582 176.067 176.600 0.082 0.000 1.073 57 E CA -0.089 56.353 56.400 0.069 0.000 0.894 57 E CB 1.777 31.510 29.700 0.055 0.000 1.008 57 E HN -0.222 nan 8.360 nan 0.000 0.420 58 V N 3.521 123.508 119.914 0.122 0.000 2.686 58 V HA 0.359 4.480 4.120 0.001 0.000 0.306 58 V C -0.507 175.655 176.094 0.113 0.000 1.065 58 V CA -0.611 61.753 62.300 0.107 0.000 0.894 58 V CB 1.679 33.588 31.823 0.143 0.000 1.004 58 V HN 0.525 nan 8.190 nan 0.000 0.424 59 I N 5.043 125.648 120.570 0.058 0.000 2.404 59 I HA 0.669 4.839 4.170 0.001 0.000 0.293 59 I C -0.426 175.704 176.117 0.022 0.000 0.992 59 I CA -0.886 60.459 61.300 0.075 0.000 1.149 59 I CB 2.017 40.063 38.000 0.077 0.000 1.315 59 I HN 0.537 nan 8.210 nan 0.000 0.446 60 V N 3.500 123.435 119.914 0.035 0.000 2.823 60 V HA 0.639 4.760 4.120 0.001 0.000 0.312 60 V C -0.688 175.493 176.094 0.146 0.000 1.072 60 V CA -0.857 61.439 62.300 -0.007 0.000 0.937 60 V CB 1.763 33.434 31.823 -0.252 0.000 1.013 60 V HN 0.817 nan 8.190 nan 0.000 0.430 61 K N 1.497 121.955 120.400 0.098 0.000 2.182 61 K HA 0.607 4.927 4.320 0.001 0.000 0.262 61 K C -0.329 176.245 176.600 -0.043 0.000 0.957 61 K CA -0.314 55.933 56.287 -0.066 0.000 0.842 61 K CB 1.727 34.133 32.500 -0.157 0.000 1.099 61 K HN 0.683 nan 8.250 nan 0.000 0.438 62 T N 3.736 118.153 114.554 -0.227 0.000 2.916 62 T HA 0.092 4.442 4.350 0.001 0.000 0.303 62 T C 1.138 175.565 174.700 -0.454 0.000 1.025 62 T CA -0.263 61.503 62.100 -0.557 0.000 1.142 62 T CB 0.448 68.742 68.868 -0.956 0.000 0.947 62 T HN 0.570 nan 8.240 nan 0.000 0.544 63 L N 1.554 122.534 121.223 -0.405 0.000 2.425 63 L HA 0.418 4.759 4.340 0.001 0.000 0.215 63 L C 1.309 178.141 176.870 -0.063 0.000 1.065 63 L CA 0.033 54.742 54.840 -0.218 0.000 0.842 63 L CB 0.128 41.971 42.059 -0.360 0.000 1.033 63 L HN 0.818 nan 8.230 nan 0.000 0.474 64 G N -0.579 108.133 108.800 -0.148 0.000 2.556 64 G HA2 0.455 4.416 3.960 0.001 0.000 0.294 64 G HA3 0.455 4.416 3.960 0.001 0.000 0.294 64 G C -1.502 173.375 174.900 -0.038 0.000 1.516 64 G CA -0.140 44.971 45.100 0.019 0.000 0.824 64 G HN -0.060 nan 8.290 nan 0.000 0.535 65 S N 1.228 117.003 115.700 0.125 0.000 2.572 65 S HA 0.854 5.325 4.470 0.001 0.000 0.274 65 S C -3.147 171.582 174.600 0.214 0.000 1.150 65 S CA -1.283 57.024 58.200 0.180 0.000 0.944 65 S CB 3.409 66.796 63.200 0.311 0.000 1.071 65 S HN 0.620 nan 8.310 nan 0.000 0.479 66 P HA 0.449 nan 4.420 nan 0.000 0.278 66 P C -0.918 176.594 177.300 0.354 0.000 1.266 66 P CA -0.693 62.528 63.100 0.201 0.000 0.807 66 P CB 0.915 32.719 31.700 0.174 0.000 1.094 67 V N 1.916 121.983 119.914 0.256 0.000 2.333 67 V HA 0.279 4.400 4.120 0.001 0.000 0.274 67 V C 0.358 176.613 176.094 0.268 0.000 1.028 67 V CA -0.276 62.243 62.300 0.364 0.000 0.851 67 V CB -0.137 31.803 31.823 0.196 0.000 1.000 67 V HN 0.512 nan 8.190 nan 0.000 0.456 68 N N 5.293 124.160 118.700 0.277 0.000 2.404 68 N HA 0.419 5.159 4.740 0.001 0.000 0.297 68 N C -2.021 173.561 175.510 0.120 0.000 1.163 68 N CA -1.539 51.616 53.050 0.175 0.000 0.864 68 N CB 2.171 40.752 38.487 0.156 0.000 1.247 68 N HN 0.236 nan 8.380 nan 0.000 0.510 69 P HA -0.211 nan 4.420 nan 0.000 0.216 69 P C 1.190 178.458 177.300 -0.053 0.000 1.150 69 P CA 1.307 64.424 63.100 0.028 0.000 0.843 69 P CB 0.134 31.852 31.700 0.030 0.000 0.787 70 S N -0.808 114.836 115.700 -0.094 0.000 2.383 70 S HA -0.214 4.257 4.470 0.001 0.000 0.229 70 S C 1.685 175.995 174.600 -0.484 0.000 1.030 70 S CA 1.595 59.558 58.200 -0.396 0.000 1.002 70 S CB -1.418 61.577 63.200 -0.341 0.000 0.829 70 S HN 0.101 nan 8.310 nan 0.000 0.467 71 D N 1.862 122.118 120.400 -0.240 0.000 2.123 71 D HA -0.014 4.627 4.640 0.001 0.000 0.196 71 D C 1.960 178.117 176.300 -0.238 0.000 0.992 71 D CA 1.257 55.095 54.000 -0.270 0.000 0.833 71 D CB -0.367 40.346 40.800 -0.145 0.000 0.954 71 D HN 0.482 nan 8.370 nan 0.000 0.455 72 I N 0.889 121.405 120.570 -0.091 0.000 2.286 72 I HA -0.214 3.957 4.170 0.001 0.000 0.245 72 I C 1.868 177.921 176.117 -0.106 0.000 1.104 72 I CA 0.855 62.131 61.300 -0.040 0.000 1.397 72 I CB -0.288 37.732 38.000 0.035 0.000 1.072 72 I HN -0.045 nan 8.210 nan 0.000 0.417 73 N N 0.286 118.907 118.700 -0.132 0.000 2.166 73 N HA -0.247 4.494 4.740 0.001 0.000 0.186 73 N C 1.877 177.336 175.510 -0.085 0.000 1.019 73 N CA 0.840 53.832 53.050 -0.096 0.000 0.856 73 N CB -0.103 38.360 38.487 -0.040 0.000 0.993 73 N HN 0.372 nan 8.380 nan 0.000 0.426 74 Q N 0.841 120.540 119.800 -0.169 0.000 2.030 74 Q HA -0.153 4.188 4.340 0.001 0.000 0.204 74 Q C 2.024 177.985 176.000 -0.064 0.000 0.986 74 Q CA 1.330 57.094 55.803 -0.064 0.000 0.843 74 Q CB -0.025 28.634 28.738 -0.132 0.000 0.904 74 Q HN 0.426 nan 8.270 nan 0.000 0.420 75 I N 0.339 120.783 120.570 -0.211 0.000 2.226 75 I HA -0.312 3.859 4.170 0.001 0.000 0.245 75 I C 2.221 178.197 176.117 -0.234 0.000 1.100 75 I CA 1.301 62.323 61.300 -0.464 0.000 1.374 75 I CB -0.222 37.521 38.000 -0.427 0.000 1.057 75 I HN 0.277 nan 8.210 nan 0.000 0.413 76 Q N 0.450 120.162 119.800 -0.145 0.000 2.364 76 Q HA -0.024 4.317 4.340 0.001 0.000 0.207 76 Q C 1.508 177.417 176.000 -0.151 0.000 0.970 76 Q CA 0.846 56.593 55.803 -0.093 0.000 0.888 76 Q CB 0.083 28.784 28.738 -0.063 0.000 0.951 76 Q HN 0.695 nan 8.270 nan 0.000 0.469 77 G N 0.575 109.162 108.800 -0.356 0.000 2.136 77 G HA2 -0.254 3.707 3.960 0.001 0.000 0.242 77 G HA3 -0.254 3.707 3.960 0.001 0.000 0.242 77 G C 0.497 175.219 174.900 -0.298 0.000 0.989 77 G CA 0.332 44.985 45.100 -0.745 0.000 0.682 77 G HN 0.503 nan 8.290 nan 0.000 0.522 78 V N -3.291 116.545 119.914 -0.130 0.000 3.121 78 V HA 0.694 4.815 4.120 0.001 0.000 0.344 78 V C 0.050 176.145 176.094 0.003 0.000 1.390 78 V CA -0.417 61.855 62.300 -0.047 0.000 1.177 78 V CB -0.171 31.647 31.823 -0.009 0.000 1.163 78 V HN 0.673 nan 8.190 nan 0.000 0.484 79 Y N 2.599 122.822 120.300 -0.128 0.000 2.363 79 Y HA 0.655 5.206 4.550 0.002 0.000 0.325 79 Y C -2.003 173.879 175.900 -0.030 0.000 0.984 79 Y CA -2.042 56.002 58.100 -0.093 0.000 1.248 79 Y CB 2.678 41.106 38.460 -0.054 0.000 1.116 79 Y HN 0.089 nan 8.280 nan 0.000 0.470 80 P HA -0.036 nan 4.420 nan 0.000 0.239 80 P C -0.102 177.240 177.300 0.071 0.000 1.184 80 P CA 0.657 63.724 63.100 -0.055 0.000 0.760 80 P CB 0.367 32.016 31.700 -0.085 0.000 0.884 81 S N 0.748 116.535 115.700 0.144 0.000 2.530 81 S HA 0.528 4.999 4.470 0.001 0.000 0.322 81 S C -0.494 174.305 174.600 0.332 0.000 1.085 81 S CA -0.603 57.746 58.200 0.249 0.000 1.096 81 S CB 0.409 63.792 63.200 0.306 0.000 0.988 81 S HN 0.145 nan 8.310 nan 0.000 0.466 82 K N 3.282 123.811 120.400 0.215 0.000 2.556 82 K HA 0.667 4.987 4.320 0.001 0.000 0.274 82 K C -3.303 173.366 176.600 0.115 0.000 0.966 82 K CA -2.085 54.320 56.287 0.196 0.000 0.865 82 K CB 0.849 33.499 32.500 0.251 0.000 1.444 82 K HN 0.317 nan 8.250 nan 0.000 0.433 83 P HA 0.091 nan 4.420 nan 0.000 0.272 83 P C -0.580 176.716 177.300 -0.008 0.000 1.223 83 P CA -0.322 62.782 63.100 0.008 0.000 0.784 83 P CB 0.677 32.351 31.700 -0.044 0.000 0.923 84 A N 2.782 125.585 122.820 -0.028 0.000 2.445 84 A HA 0.125 4.446 4.320 0.001 0.000 0.242 84 A C 0.244 177.781 177.584 -0.079 0.000 1.075 84 A CA -0.167 51.848 52.037 -0.037 0.000 0.777 84 A CB -0.307 18.669 19.000 -0.040 0.000 1.013 84 A HN 0.452 nan 8.150 nan 0.000 0.493 85 K N 1.368 121.717 120.400 -0.084 0.000 2.316 85 K HA 0.395 4.716 4.320 0.001 0.000 0.289 85 K C 0.192 176.747 176.600 -0.075 0.000 1.070 85 K CA 0.251 56.467 56.287 -0.118 0.000 0.928 85 K CB 0.704 33.132 32.500 -0.120 0.000 1.039 85 K HN 0.869 nan 8.250 nan 0.000 0.480 86 T N -1.765 112.749 114.554 -0.066 0.000 2.883 86 T HA 0.207 4.558 4.350 0.001 0.000 0.296 86 T C 0.792 175.479 174.700 -0.022 0.000 1.117 86 T CA -0.847 61.223 62.100 -0.049 0.000 1.006 86 T CB 1.558 70.382 68.868 -0.074 0.000 1.191 86 T HN 0.475 nan 8.240 nan 0.000 0.508 87 T N -1.840 112.698 114.554 -0.027 0.000 3.188 87 T HA 0.283 4.634 4.350 0.001 0.000 0.250 87 T C 1.945 176.627 174.700 -0.031 0.000 1.077 87 T CA 0.393 62.489 62.100 -0.006 0.000 0.967 87 T CB -0.610 68.252 68.868 -0.010 0.000 1.006 87 T HN 0.892 nan 8.240 nan 0.000 0.552 88 G N 0.725 109.463 108.800 -0.103 0.000 2.509 88 G HA2 0.028 3.989 3.960 0.001 0.000 0.218 88 G HA3 0.028 3.989 3.960 0.001 0.000 0.218 88 G C 0.625 175.300 174.900 -0.376 0.000 1.124 88 G CA -0.057 44.895 45.100 -0.247 0.000 0.776 88 G HN 0.596 nan 8.290 nan 0.000 0.547 89 F N 0.688 120.524 119.950 -0.190 0.000 2.664 89 F HA 0.347 4.875 4.527 0.001 0.000 0.301 89 F C 1.824 177.598 175.800 -0.043 0.000 1.126 89 F CA 0.298 58.151 58.000 -0.245 0.000 1.373 89 F CB 0.401 39.161 39.000 -0.400 0.000 1.042 89 F HN 0.188 nan 8.300 nan 0.000 0.535 90 G N 1.017 109.877 108.800 0.098 0.000 2.137 90 G HA2 -0.275 3.686 3.960 0.001 0.000 0.237 90 G HA3 -0.275 3.686 3.960 0.001 0.000 0.237 90 G C 0.278 175.242 174.900 0.107 0.000 1.002 90 G CA 0.266 45.428 45.100 0.104 0.000 0.702 90 G HN 0.458 nan 8.290 nan 0.000 0.515 91 T N -2.981 111.637 114.554 0.107 0.000 2.902 91 T HA 0.654 5.005 4.350 0.001 0.000 0.280 91 T C 1.651 176.380 174.700 0.047 0.000 0.992 91 T CA 0.777 62.932 62.100 0.092 0.000 1.015 91 T CB 1.644 70.591 68.868 0.132 0.000 1.044 91 T HN 0.866 nan 8.240 nan 0.000 0.520 92 T N -1.980 112.590 114.554 0.028 0.000 3.009 92 T HA 0.159 4.510 4.350 0.001 0.000 0.258 92 T C 0.467 175.170 174.700 0.005 0.000 1.063 92 T CA 0.073 62.179 62.100 0.010 0.000 1.139 92 T CB -0.265 68.603 68.868 -0.000 0.000 0.890 92 T HN 0.700 nan 8.240 nan 0.000 0.471 93 E N 2.790 122.994 120.200 0.007 0.000 2.249 93 E HA 0.321 4.672 4.350 0.001 0.000 0.280 93 E C -2.731 173.877 176.600 0.013 0.000 1.016 93 E CA -2.601 53.802 56.400 0.005 0.000 0.830 93 E CB 0.943 30.642 29.700 -0.001 0.000 1.081 93 E HN 0.231 nan 8.360 nan 0.000 0.395 94 P HA -0.004 nan 4.420 nan 0.000 0.264 94 P C -1.297 175.978 177.300 -0.042 0.000 1.193 94 P CA 0.381 63.468 63.100 -0.022 0.000 0.763 94 P CB 0.625 32.306 31.700 -0.032 0.000 0.810 95 A N 2.752 125.531 122.820 -0.070 0.000 2.475 95 A HA 0.774 5.095 4.320 0.001 0.000 0.301 95 A C -0.993 176.411 177.584 -0.300 0.000 1.059 95 A CA -0.664 51.274 52.037 -0.165 0.000 0.710 95 A CB 1.686 20.647 19.000 -0.066 0.000 1.288 95 A HN 0.480 nan 8.150 nan 0.000 0.408 96 A N 3.049 125.495 122.820 -0.622 0.000 2.324 96 A HA 0.895 5.216 4.320 0.001 0.000 0.330 96 A C -2.562 174.596 177.584 -0.710 0.000 1.165 96 A CA -1.817 49.819 52.037 -0.669 0.000 0.813 96 A CB 0.609 19.081 19.000 -0.879 0.000 1.197 96 A HN 0.595 nan 8.150 nan 0.000 0.484 97 P HA 0.468 nan 4.420 nan 0.000 0.279 97 P C -0.676 176.433 177.300 -0.319 0.000 1.282 97 P CA -0.340 62.488 63.100 -0.453 0.000 0.788 97 P CB 0.738 32.216 31.700 -0.370 0.000 1.139 98 C N -1.782 117.302 119.300 -0.360 0.000 2.802 98 C HA 0.875 5.336 4.460 0.001 0.000 0.307 98 C C 0.286 174.726 174.990 -0.916 0.000 1.222 98 C CA 0.388 59.039 59.018 -0.611 0.000 1.580 98 C CB 0.695 27.967 27.740 -0.781 0.000 2.119 98 C HN 0.995 nan 8.230 nan 0.000 0.479 99 G N 2.701 110.830 108.800 -1.118 0.000 3.039 99 G HA2 -0.120 3.841 3.960 0.001 0.000 0.686 99 G HA3 -0.120 3.841 3.960 0.001 0.000 0.686 99 G C -0.345 174.427 174.900 -0.213 0.000 1.066 99 G CA -0.411 44.177 45.100 -0.853 0.000 0.774 99 G HN 0.807 nan 8.290 nan 0.000 0.591 100 N N 0.216 118.886 118.700 -0.051 0.000 2.227 100 N HA 0.067 4.808 4.740 0.001 0.000 0.196 100 N C 0.534 176.137 175.510 0.156 0.000 1.142 100 N CA 0.710 53.804 53.050 0.074 0.000 0.887 100 N CB 1.398 39.915 38.487 0.050 0.000 1.022 100 N HN 0.813 nan 8.380 nan 0.000 0.500 101 E N -0.037 120.275 120.200 0.187 0.000 2.266 101 E HA 0.615 4.966 4.350 0.001 0.000 0.268 101 E C -0.994 175.739 176.600 0.222 0.000 0.879 101 E CA -0.815 55.700 56.400 0.193 0.000 0.762 101 E CB 2.144 31.944 29.700 0.165 0.000 1.199 101 E HN 0.090 nan 8.360 nan 0.000 0.422 102 G N 1.841 110.743 108.800 0.171 0.000 2.355 102 G HA2 0.367 4.328 3.960 0.001 0.000 0.296 102 G HA3 0.367 4.328 3.960 0.001 0.000 0.296 102 G C -2.263 172.572 174.900 -0.109 0.000 1.507 102 G CA -0.870 44.232 45.100 0.004 0.000 0.823 102 G HN 0.487 nan 8.290 nan 0.000 0.569 103 L N 0.112 121.122 121.223 -0.354 0.000 2.329 103 L HA 0.947 5.288 4.340 0.001 0.000 0.279 103 L C -1.414 175.087 176.870 -0.615 0.000 1.014 103 L CA -0.933 53.696 54.840 -0.352 0.000 0.814 103 L CB 1.012 42.824 42.059 -0.412 0.000 1.257 103 L HN 0.417 nan 8.230 nan 0.000 0.424 104 F N 2.337 122.152 119.950 -0.225 0.000 2.576 104 F HA 0.497 5.024 4.527 0.001 0.000 0.313 104 F C -0.131 175.522 175.800 -0.245 0.000 1.078 104 F CA -0.639 57.231 58.000 -0.217 0.000 0.921 104 F CB 1.865 40.764 39.000 -0.169 0.000 1.232 104 F HN 0.456 nan 8.300 nan 0.000 0.459 105 E N 1.710 121.903 120.200 -0.011 0.000 2.175 105 E HA 0.499 4.850 4.350 0.001 0.000 0.278 105 E C -1.339 175.275 176.600 0.023 0.000 0.969 105 E CA -0.662 55.759 56.400 0.036 0.000 0.796 105 E CB 1.607 31.342 29.700 0.058 0.000 1.104 105 E HN 0.444 nan 8.360 nan 0.000 0.395 106 V N 7.004 126.923 119.914 0.008 0.000 2.521 106 V HA 0.007 4.128 4.120 0.001 0.000 0.286 106 V C 1.242 177.344 176.094 0.014 0.000 1.034 106 V CA 0.426 62.700 62.300 -0.044 0.000 1.045 106 V CB 0.533 32.321 31.823 -0.057 0.000 0.974 106 V HN 0.700 nan 8.190 nan 0.000 0.480 107 I N 1.061 121.642 120.570 0.019 0.000 4.032 107 I HA 0.504 4.675 4.170 0.001 0.000 0.313 107 I C 0.620 176.757 176.117 0.033 0.000 1.272 107 I CA 0.146 61.472 61.300 0.043 0.000 1.307 107 I CB 0.417 38.461 38.000 0.074 0.000 1.155 107 I HN 0.516 nan 8.210 nan 0.000 0.431 108 K N 1.723 122.138 120.400 0.024 0.000 2.557 108 K HA 0.576 4.896 4.320 0.001 0.000 0.261 108 K C -1.259 175.352 176.600 0.020 0.000 0.932 108 K CA -0.568 55.733 56.287 0.022 0.000 0.829 108 K CB 2.836 35.352 32.500 0.027 0.000 1.358 108 K HN 0.110 nan 8.250 nan 0.000 0.430 109 V N 0.275 120.200 119.914 0.019 0.000 2.914 109 V HA 0.930 5.051 4.120 0.001 0.000 0.314 109 V C 0.198 176.306 176.094 0.024 0.000 1.084 109 V CA -0.350 61.964 62.300 0.023 0.000 0.963 109 V CB 1.619 33.454 31.823 0.020 0.000 1.025 109 V HN 0.773 nan 8.190 nan 0.000 0.432 110 G N 1.608 110.425 108.800 0.028 0.000 2.616 110 G HA2 0.381 4.342 3.960 0.001 0.000 0.268 110 G HA3 0.381 4.342 3.960 0.001 0.000 0.268 110 G C 1.019 175.930 174.900 0.019 0.000 1.213 110 G CA 0.106 45.220 45.100 0.024 0.000 0.926 110 G HN 1.712 nan 8.290 nan 0.000 0.523 111 S N -1.153 114.556 115.700 0.015 0.000 2.474 111 S HA -0.118 4.353 4.470 0.001 0.000 0.235 111 S C 1.458 176.065 174.600 0.012 0.000 0.997 111 S CA 1.158 59.365 58.200 0.012 0.000 0.949 111 S CB -0.131 63.075 63.200 0.010 0.000 0.766 111 S HN 0.657 nan 8.310 nan 0.000 0.517 112 N N 0.771 119.480 118.700 0.014 0.000 2.235 112 N HA 0.147 4.888 4.740 0.001 0.000 0.209 112 N C -0.908 174.612 175.510 0.017 0.000 1.122 112 N CA -0.049 53.009 53.050 0.013 0.000 0.845 112 N CB 0.558 39.052 38.487 0.012 0.000 1.004 112 N HN 0.189 nan 8.380 nan 0.000 0.499 113 V N 1.539 121.465 119.914 0.020 0.000 2.348 113 V HA 0.178 4.299 4.120 0.001 0.000 0.270 113 V C 0.547 176.651 176.094 0.017 0.000 1.037 113 V CA -0.145 62.169 62.300 0.023 0.000 0.872 113 V CB 1.396 33.237 31.823 0.031 0.000 1.002 113 V HN 0.161 nan 8.190 nan 0.000 0.464 114 S N 1.822 117.532 115.700 0.016 0.000 2.539 114 S HA -0.055 4.416 4.470 0.001 0.000 0.226 114 S C 2.012 176.618 174.600 0.011 0.000 1.054 114 S CA 0.516 58.723 58.200 0.011 0.000 0.910 114 S CB 0.341 63.545 63.200 0.008 0.000 0.818 114 S HN 0.864 nan 8.310 nan 0.000 0.490 115 S N 1.712 117.422 115.700 0.016 0.000 2.419 115 S HA 0.072 4.542 4.470 0.001 0.000 0.235 115 S C 0.514 175.125 174.600 0.018 0.000 1.019 115 S CA 0.559 58.769 58.200 0.018 0.000 0.982 115 S CB -0.462 62.754 63.200 0.026 0.000 0.789 115 S HN 0.384 nan 8.310 nan 0.000 0.490 116 L N 1.202 122.436 121.223 0.019 0.000 2.388 116 L HA 0.624 4.965 4.340 0.001 0.000 0.264 116 L C -0.766 176.108 176.870 0.007 0.000 0.998 116 L CA -0.807 54.040 54.840 0.011 0.000 0.817 116 L CB 2.309 44.373 42.059 0.008 0.000 1.338 116 L HN 0.342 nan 8.230 nan 0.000 0.414 117 E N 1.195 121.397 120.200 0.003 0.000 2.429 117 E HA 0.697 5.048 4.350 0.001 0.000 0.276 117 E C -1.078 175.527 176.600 0.008 0.000 0.953 117 E CA -1.213 55.190 56.400 0.005 0.000 0.787 117 E CB 1.841 31.543 29.700 0.003 0.000 1.307 117 E HN 0.562 nan 8.360 nan 0.000 0.458 118 A N 0.595 123.423 122.820 0.012 0.000 2.580 118 A HA 0.366 4.687 4.320 0.001 0.000 0.244 118 A C 1.306 178.908 177.584 0.030 0.000 1.045 118 A CA 1.167 53.218 52.037 0.022 0.000 0.761 118 A CB -1.076 17.937 19.000 0.022 0.000 0.962 118 A HN 1.352 nan 8.150 nan 0.000 0.512 119 G N 2.142 110.975 108.800 0.055 0.000 2.213 119 G HA2 -0.188 3.773 3.960 0.001 0.000 0.236 119 G HA3 -0.188 3.773 3.960 0.001 0.000 0.236 119 G C -0.006 174.958 174.900 0.107 0.000 0.991 119 G CA 0.267 45.412 45.100 0.076 0.000 0.629 119 G HN 0.829 nan 8.290 nan 0.000 0.517 120 D N 0.058 120.510 120.400 0.087 0.000 2.399 120 D HA 0.399 5.040 4.640 0.001 0.000 0.241 120 D C 0.192 176.663 176.300 0.285 0.000 1.133 120 D CA 0.097 54.161 54.000 0.107 0.000 0.890 120 D CB 0.373 41.202 40.800 0.049 0.000 1.201 120 D HN 0.182 nan 8.370 nan 0.000 0.432 121 W N 1.863 123.146 121.300 -0.028 0.000 2.351 121 W HA 0.417 5.078 4.660 0.001 0.000 0.311 121 W C -0.042 176.467 176.519 -0.017 0.000 1.168 121 W CA -0.860 56.474 57.345 -0.018 0.000 1.200 121 W CB 0.480 29.934 29.460 -0.011 0.000 1.221 121 W HN 0.023 nan 8.180 nan 0.000 0.519 122 V N 3.077 123.082 119.914 0.153 0.000 3.114 122 V HA 0.745 4.866 4.120 0.001 0.000 0.308 122 V C -0.510 175.683 176.094 0.165 0.000 1.168 122 V CA -1.479 60.884 62.300 0.104 0.000 1.015 122 V CB 1.704 33.495 31.823 -0.052 0.000 1.050 122 V HN 0.484 nan 8.190 nan 0.000 0.433 123 I N -1.135 119.538 120.570 0.171 0.000 3.023 123 I HA 0.847 5.018 4.170 0.001 0.000 0.312 123 I C -2.751 173.444 176.117 0.130 0.000 1.056 123 I CA -2.885 58.533 61.300 0.196 0.000 1.033 123 I CB 2.127 40.192 38.000 0.109 0.000 1.233 123 I HN 0.392 nan 8.210 nan 0.000 0.462 124 P HA 0.099 nan 4.420 nan 0.000 0.268 124 P C 0.301 177.457 177.300 -0.240 0.000 1.205 124 P CA -0.198 62.697 63.100 -0.342 0.000 0.771 124 P CB 0.893 32.368 31.700 -0.376 0.000 0.858 125 S N 0.894 116.373 115.700 -0.367 0.000 2.496 125 S HA 0.014 4.485 4.470 0.001 0.000 0.224 125 S C 0.550 174.750 174.600 -0.666 0.000 0.996 125 S CA 0.613 58.533 58.200 -0.467 0.000 0.927 125 S CB -0.533 62.341 63.200 -0.545 0.000 0.774 125 S HN 0.470 nan 8.310 nan 0.000 0.524 126 H N 0.408 119.411 119.070 -0.111 0.000 2.928 126 H HA 0.502 5.059 4.556 0.001 0.000 0.371 126 H C -0.048 175.277 175.328 -0.005 0.000 1.186 126 H CA -0.717 55.297 56.048 -0.057 0.000 1.134 126 H CB 1.740 31.470 29.762 -0.054 0.000 1.824 126 H HN 0.153 nan 8.280 nan 0.000 0.554 127 V N -0.085 119.915 119.914 0.143 0.000 3.503 127 V HA 0.082 4.203 4.120 0.001 0.000 0.300 127 V C 0.695 176.875 176.094 0.143 0.000 1.099 127 V CA -0.634 61.741 62.300 0.126 0.000 1.117 127 V CB 0.148 32.035 31.823 0.107 0.000 1.122 127 V HN 0.978 nan 8.190 nan 0.000 0.476 128 N N -1.259 117.517 118.700 0.126 0.000 2.741 128 N HA -0.256 4.485 4.740 0.001 0.000 0.251 128 N C -0.009 175.560 175.510 0.099 0.000 1.112 128 N CA 1.398 54.502 53.050 0.090 0.000 0.750 128 N CB -1.738 36.792 38.487 0.071 0.000 1.119 128 N HN 0.922 nan 8.380 nan 0.000 0.561 129 F N 0.918 120.868 119.950 -0.000 0.000 2.259 129 F HA 0.187 4.715 4.527 0.001 0.000 0.298 129 F C 1.555 177.364 175.800 0.014 0.000 1.088 129 F CA 1.835 59.830 58.000 -0.009 0.000 1.358 129 F CB -0.039 38.958 39.000 -0.004 0.000 1.040 129 F HN 0.270 nan 8.300 nan 0.000 0.505 130 G N 0.680 109.484 108.800 0.006 0.000 2.884 130 G HA2 -0.205 3.755 3.960 0.001 0.000 0.261 130 G HA3 -0.205 3.755 3.960 0.001 0.000 0.261 130 G C 0.512 175.476 174.900 0.107 0.000 1.025 130 G CA 0.290 45.337 45.100 -0.090 0.000 1.228 130 G HN 0.658 nan 8.290 nan 0.000 0.558 131 T N -2.842 111.849 114.554 0.228 0.000 3.060 131 T HA 0.155 4.506 4.350 0.001 0.000 0.249 131 T C 0.671 175.650 174.700 0.465 0.000 1.079 131 T CA 0.350 62.751 62.100 0.501 0.000 1.013 131 T CB 0.140 69.313 68.868 0.509 0.000 0.975 131 T HN 0.480 nan 8.240 nan 0.000 0.518 132 W N 4.768 126.032 121.300 -0.061 0.000 1.664 132 W HA 0.523 5.184 4.660 0.001 0.000 0.428 132 W C 0.712 177.171 176.519 -0.100 0.000 0.726 132 W CA -1.678 55.492 57.345 -0.293 0.000 1.774 132 W CB -1.101 27.845 29.460 -0.857 0.000 1.801 132 W HN 0.453 nan 8.180 nan 0.000 0.243 133 R N -1.647 119.010 120.500 0.261 0.000 2.728 133 R HA 0.364 4.704 4.340 0.001 0.000 0.274 133 R C 0.618 176.936 176.300 0.031 0.000 1.032 133 R CA -0.273 55.945 56.100 0.197 0.000 0.866 133 R CB 0.512 30.939 30.300 0.211 0.000 1.263 133 R HN -0.043 nan 8.270 nan 0.000 0.475 134 T N -3.230 111.357 114.554 0.055 0.000 3.035 134 T HA 0.199 4.550 4.350 0.001 0.000 0.259 134 T C 0.440 174.942 174.700 -0.330 0.000 1.078 134 T CA 0.636 62.609 62.100 -0.211 0.000 1.132 134 T CB -0.284 68.644 68.868 0.101 0.000 0.900 134 T HN 0.582 nan 8.240 nan 0.000 0.480 135 H N -0.107 119.064 119.070 0.169 0.000 3.037 135 H HA 0.715 5.272 4.556 0.001 0.000 0.355 135 H C -1.196 174.327 175.328 0.324 0.000 1.263 135 H CA -0.807 55.363 56.048 0.204 0.000 1.129 135 H CB 2.081 31.891 29.762 0.080 0.000 1.861 135 H HN 0.394 nan 8.280 nan 0.000 0.546 136 A N 1.532 124.591 122.820 0.398 0.000 2.572 136 A HA 0.566 4.887 4.320 0.001 0.000 0.295 136 A C -1.744 176.012 177.584 0.288 0.000 1.072 136 A CA -0.669 51.571 52.037 0.339 0.000 0.691 136 A CB 2.104 21.305 19.000 0.336 0.000 1.291 136 A HN 0.514 nan 8.150 nan 0.000 0.404 137 L N 1.727 123.092 121.223 0.237 0.000 2.343 137 L HA 0.827 5.168 4.340 0.001 0.000 0.278 137 L C 0.105 177.087 176.870 0.186 0.000 0.996 137 L CA 0.227 55.181 54.840 0.191 0.000 0.831 137 L CB 1.489 43.621 42.059 0.121 0.000 1.232 137 L HN 1.093 nan 8.230 nan 0.000 0.413 138 G N 3.163 112.119 108.800 0.259 0.000 2.911 138 G HA2 0.391 4.351 3.960 0.001 0.000 0.299 138 G HA3 0.391 4.351 3.960 0.001 0.000 0.299 138 G C -1.557 173.444 174.900 0.168 0.000 1.283 138 G CA -0.923 44.283 45.100 0.177 0.000 0.805 138 G HN 0.644 nan 8.290 nan 0.000 0.548 139 N N -0.230 118.523 118.700 0.090 0.000 2.502 139 N HA 0.381 5.122 4.740 0.001 0.000 0.280 139 N C 0.320 175.921 175.510 0.152 0.000 1.223 139 N CA -0.273 52.835 53.050 0.096 0.000 0.966 139 N CB 1.451 39.959 38.487 0.037 0.000 1.203 139 N HN 0.556 nan 8.380 nan 0.000 0.565 140 D N -0.690 119.794 120.400 0.140 0.000 2.264 140 D HA -0.202 4.439 4.640 0.001 0.000 0.208 140 D C 0.858 177.225 176.300 0.112 0.000 0.966 140 D CA 0.915 55.021 54.000 0.177 0.000 0.864 140 D CB -0.289 40.575 40.800 0.107 0.000 0.933 140 D HN 0.659 nan 8.370 nan 0.000 0.499 141 D N 0.202 120.623 120.400 0.034 0.000 2.355 141 D HA -0.129 4.511 4.640 0.001 0.000 0.218 141 D C 0.516 176.759 176.300 -0.095 0.000 1.004 141 D CA 0.260 54.255 54.000 -0.009 0.000 0.880 141 D CB -0.191 40.617 40.800 0.012 0.000 0.911 141 D HN 0.050 nan 8.370 nan 0.000 0.528 142 D N -0.494 119.754 120.400 -0.253 0.000 2.355 142 D HA 0.077 4.718 4.640 0.001 0.000 0.218 142 D C -0.108 175.615 176.300 -0.962 0.000 1.004 142 D CA 0.345 53.985 54.000 -0.600 0.000 0.880 142 D CB 0.153 40.439 40.800 -0.856 0.000 0.911 142 D HN 0.284 nan 8.370 nan 0.000 0.528 143 F N -0.249 119.597 119.950 -0.174 0.000 2.593 143 F HA 0.492 5.020 4.527 0.001 0.000 0.320 143 F C 0.103 175.820 175.800 -0.137 0.000 1.060 143 F CA -1.155 56.724 58.000 -0.200 0.000 0.940 143 F CB 1.949 40.849 39.000 -0.168 0.000 1.268 143 F HN -0.412 nan 8.300 nan 0.000 0.475 144 I N 1.622 122.247 120.570 0.092 0.000 2.433 144 I HA 0.302 4.472 4.170 0.001 0.000 0.292 144 I C -0.479 175.683 176.117 0.074 0.000 1.001 144 I CA -0.941 60.383 61.300 0.041 0.000 1.119 144 I CB 2.036 40.026 38.000 -0.016 0.000 1.289 144 I HN 0.500 nan 8.210 nan 0.000 0.438 145 K N 6.834 127.269 120.400 0.059 0.000 2.322 145 K HA 0.475 4.796 4.320 0.001 0.000 0.283 145 K C -1.178 175.466 176.600 0.073 0.000 1.042 145 K CA -0.215 56.112 56.287 0.067 0.000 0.958 145 K CB 0.674 33.200 32.500 0.043 0.000 0.984 145 K HN 0.542 nan 8.250 nan 0.000 0.473 146 L N 6.351 127.648 121.223 0.122 0.000 2.331 146 L HA 0.486 4.827 4.340 0.001 0.000 0.275 146 L C -2.015 174.915 176.870 0.100 0.000 1.022 146 L CA -2.640 52.279 54.840 0.132 0.000 0.812 146 L CB 1.682 43.871 42.059 0.217 0.000 1.257 146 L HN 0.655 nan 8.230 nan 0.000 0.435 147 P HA 0.031 nan 4.420 nan 0.000 0.267 147 P C -1.230 175.950 177.300 -0.200 0.000 1.205 147 P CA -0.282 62.781 63.100 -0.063 0.000 0.765 147 P CB 0.292 31.961 31.700 -0.052 0.000 0.828 148 N N 4.322 122.764 118.700 -0.430 0.000 2.445 148 N HA 0.191 4.932 4.740 0.001 0.000 0.264 148 N C -2.016 173.088 175.510 -0.676 0.000 1.227 148 N CA -2.190 50.236 53.050 -1.040 0.000 0.963 148 N CB -0.880 36.769 38.487 -1.397 0.000 1.188 148 N HN 0.081 nan 8.380 nan 0.000 0.491 149 P HA -0.173 nan 4.420 nan 0.000 0.215 149 P C 1.060 178.215 177.300 -0.242 0.000 1.157 149 P CA 2.535 65.422 63.100 -0.354 0.000 0.874 149 P CB -0.176 31.361 31.700 -0.272 0.000 0.790 150 A N -0.463 122.205 122.820 -0.253 0.000 1.908 150 A HA -0.290 4.031 4.320 0.001 0.000 0.218 150 A C 2.253 179.752 177.584 -0.142 0.000 1.181 150 A CA 1.914 53.854 52.037 -0.162 0.000 0.627 150 A CB -1.425 17.488 19.000 -0.145 0.000 0.818 150 A HN 0.223 nan 8.150 nan 0.000 0.445 151 Q N -0.665 119.030 119.800 -0.176 0.000 2.172 151 Q HA -0.066 4.275 4.340 0.001 0.000 0.200 151 Q C 2.437 178.376 176.000 -0.102 0.000 0.964 151 Q CA 1.482 57.208 55.803 -0.128 0.000 0.855 151 Q CB -0.107 28.550 28.738 -0.136 0.000 0.918 151 Q HN 0.641 nan 8.270 nan 0.000 0.444 152 S N 0.665 116.294 115.700 -0.118 0.000 2.355 152 S HA -0.144 4.327 4.470 0.001 0.000 0.222 152 S C 1.770 176.336 174.600 -0.055 0.000 1.031 152 S CA 1.046 59.199 58.200 -0.077 0.000 0.993 152 S CB -0.113 63.040 63.200 -0.078 0.000 0.859 152 S HN 0.258 nan 8.310 nan 0.000 0.453 153 K N 1.137 121.499 120.400 -0.063 0.000 2.097 153 K HA -0.047 4.274 4.320 0.001 0.000 0.206 153 K C 2.061 178.638 176.600 -0.039 0.000 1.049 153 K CA 1.160 57.419 56.287 -0.045 0.000 0.933 153 K CB -0.263 32.208 32.500 -0.049 0.000 0.717 153 K HN 0.314 nan 8.250 nan 0.000 0.442 154 A N 0.925 123.716 122.820 -0.048 0.000 2.014 154 A HA -0.110 4.211 4.320 0.001 0.000 0.218 154 A C 1.642 179.206 177.584 -0.032 0.000 1.163 154 A CA 1.209 53.222 52.037 -0.040 0.000 0.652 154 A CB -0.419 18.554 19.000 -0.046 0.000 0.808 154 A HN 0.461 nan 8.150 nan 0.000 0.449 155 N N -0.398 118.281 118.700 -0.035 0.000 2.314 155 N HA 0.145 4.886 4.740 0.001 0.000 0.200 155 N C 0.773 176.271 175.510 -0.019 0.000 1.135 155 N CA 0.614 53.648 53.050 -0.027 0.000 0.835 155 N CB -0.080 38.389 38.487 -0.030 0.000 0.989 155 N HN 0.482 nan 8.380 nan 0.000 0.478 156 G N 1.691 110.480 108.800 -0.018 0.000 2.182 156 G HA2 -0.207 3.754 3.960 0.001 0.000 0.248 156 G HA3 -0.207 3.754 3.960 0.001 0.000 0.248 156 G C -0.512 174.385 174.900 -0.005 0.000 1.042 156 G CA -0.018 45.075 45.100 -0.011 0.000 0.775 156 G HN 0.197 nan 8.290 nan 0.000 0.501 157 K N -0.087 120.310 120.400 -0.006 0.000 2.159 157 K HA 0.443 4.764 4.320 0.001 0.000 0.266 157 K C -1.263 175.341 176.600 0.007 0.000 0.975 157 K CA -2.005 54.285 56.287 0.005 0.000 0.865 157 K CB 2.248 34.753 32.500 0.008 0.000 1.087 157 K HN 0.050 nan 8.250 nan 0.000 0.446 158 P HA -0.068 nan 4.420 nan 0.000 0.233 158 P C -0.581 176.732 177.300 0.022 0.000 1.167 158 P CA 0.755 63.865 63.100 0.018 0.000 0.770 158 P CB 0.537 32.252 31.700 0.025 0.000 0.837 159 N N -0.693 118.025 118.700 0.030 0.000 2.277 159 N HA 0.435 5.176 4.740 0.001 0.000 0.286 159 N C -0.401 175.121 175.510 0.019 0.000 1.140 159 N CA -0.449 52.621 53.050 0.033 0.000 0.799 159 N CB 2.568 41.095 38.487 0.067 0.000 1.596 159 N HN -0.108 nan 8.380 nan 0.000 0.473 160 G N 0.291 109.089 108.800 -0.004 0.000 2.511 160 G HA2 0.607 4.567 3.960 0.001 0.000 0.318 160 G HA3 0.607 4.567 3.960 0.001 0.000 0.318 160 G C -0.228 174.660 174.900 -0.020 0.000 1.210 160 G CA -0.659 44.418 45.100 -0.038 0.000 0.969 160 G HN 0.360 nan 8.290 nan 0.000 0.484 161 L N 0.986 122.196 121.223 -0.021 0.000 2.456 161 L HA 0.261 4.602 4.340 0.001 0.000 0.272 161 L C 1.530 178.482 176.870 0.137 0.000 1.189 161 L CA -0.405 54.446 54.840 0.018 0.000 0.846 161 L CB 0.668 42.808 42.059 0.135 0.000 1.111 161 L HN 0.710 nan 8.230 nan 0.000 0.475 162 T N -1.175 113.415 114.554 0.059 0.000 2.847 162 T HA 0.336 4.687 4.350 0.001 0.000 0.279 162 T C 1.274 176.039 174.700 0.108 0.000 0.984 162 T CA -0.693 61.476 62.100 0.114 0.000 0.988 162 T CB 1.070 69.951 68.868 0.021 0.000 1.040 162 T HN 0.433 nan 8.240 nan 0.000 0.528 163 I N 1.054 121.643 120.570 0.032 0.000 2.208 163 I HA -0.152 4.019 4.170 0.001 0.000 0.245 163 I C 2.735 178.773 176.117 -0.133 0.000 1.097 163 I CA 1.572 62.765 61.300 -0.178 0.000 1.363 163 I CB -0.461 37.442 38.000 -0.162 0.000 1.051 163 I HN 0.735 nan 8.210 nan 0.000 0.413 164 N N 0.638 119.302 118.700 -0.060 0.000 2.188 164 N HA -0.209 4.532 4.740 0.001 0.000 0.184 164 N C 1.865 177.366 175.510 -0.015 0.000 1.018 164 N CA 1.432 54.466 53.050 -0.027 0.000 0.858 164 N CB 0.007 38.497 38.487 0.005 0.000 0.989 164 N HN 0.318 nan 8.380 nan 0.000 0.426 165 Q N -1.004 118.754 119.800 -0.070 0.000 2.119 165 Q HA 0.004 4.345 4.340 0.001 0.000 0.201 165 Q C 2.038 177.984 176.000 -0.089 0.000 0.972 165 Q CA 1.382 57.081 55.803 -0.173 0.000 0.847 165 Q CB -0.267 28.102 28.738 -0.616 0.000 0.903 165 Q HN 0.494 nan 8.270 nan 0.000 0.433 166 G N 0.437 109.199 108.800 -0.064 0.000 2.403 166 G HA2 -0.146 3.815 3.960 0.001 0.000 0.216 166 G HA3 -0.146 3.815 3.960 0.001 0.000 0.216 166 G C 1.427 176.307 174.900 -0.034 0.000 1.154 166 G CA 0.643 45.732 45.100 -0.019 0.000 0.784 166 G HN 0.399 nan 8.290 nan 0.000 0.538 167 A N 0.436 123.213 122.820 -0.072 0.000 2.066 167 A HA 0.143 4.464 4.320 0.001 0.000 0.218 167 A C 2.264 179.871 177.584 0.039 0.000 1.157 167 A CA 2.161 54.169 52.037 -0.047 0.000 0.670 167 A CB -0.390 18.565 19.000 -0.075 0.000 0.804 167 A HN 0.526 nan 8.150 nan 0.000 0.453 168 T N -3.957 110.639 114.554 0.071 0.000 3.132 168 T HA 0.336 4.687 4.350 0.001 0.000 0.274 168 T C 1.241 176.002 174.700 0.102 0.000 1.011 168 T CA 0.134 62.306 62.100 0.121 0.000 0.899 168 T CB -0.242 68.737 68.868 0.185 0.000 1.089 168 T HN 0.246 nan 8.240 nan 0.000 0.543 169 I N 2.135 122.758 120.570 0.089 0.000 2.676 169 I HA -0.090 4.081 4.170 0.001 0.000 0.259 169 I C 2.446 178.578 176.117 0.025 0.000 1.194 169 I CA 1.256 62.605 61.300 0.082 0.000 1.473 169 I CB 0.157 38.234 38.000 0.130 0.000 1.096 169 I HN 0.487 nan 8.210 nan 0.000 0.443 170 S N -1.087 114.640 115.700 0.044 0.000 2.446 170 S HA 0.014 4.485 4.470 0.001 0.000 0.225 170 S C 1.528 176.156 174.600 0.046 0.000 1.016 170 S CA 0.679 58.901 58.200 0.037 0.000 0.943 170 S CB 0.102 63.331 63.200 0.048 0.000 0.786 170 S HN 0.237 nan 8.310 nan 0.000 0.508 171 V N 1.770 121.727 119.914 0.071 0.000 2.735 171 V HA 0.149 4.269 4.120 0.001 0.000 0.234 171 V C 2.192 178.352 176.094 0.109 0.000 1.121 171 V CA 0.903 63.270 62.300 0.112 0.000 1.160 171 V CB -0.709 31.205 31.823 0.152 0.000 0.908 171 V HN 0.351 nan 8.190 nan 0.000 0.495 172 N N 0.573 119.329 118.700 0.093 0.000 2.135 172 N HA -0.040 4.701 4.740 0.001 0.000 0.186 172 N C -0.766 174.724 175.510 -0.033 0.000 1.027 172 N CA 1.448 54.571 53.050 0.122 0.000 0.849 172 N CB -1.517 37.134 38.487 0.273 0.000 1.002 172 N HN 0.351 nan 8.380 nan 0.000 0.425 173 P HA -0.050 nan 4.420 nan 0.000 0.217 173 P C 1.562 178.819 177.300 -0.070 0.000 1.150 173 P CA 0.898 63.751 63.100 -0.413 0.000 0.832 173 P CB -0.003 31.351 31.700 -0.577 0.000 0.787 174 L N -1.561 119.647 121.223 -0.026 0.000 2.093 174 L HA -0.126 4.215 4.340 0.001 0.000 0.208 174 L C 2.296 179.249 176.870 0.139 0.000 1.085 174 L CA 1.711 56.587 54.840 0.061 0.000 0.755 174 L CB -1.804 40.285 42.059 0.050 0.000 0.904 174 L HN 0.038 nan 8.230 nan 0.000 0.435 175 T N 0.334 114.965 114.554 0.129 0.000 2.708 175 T HA -0.169 4.182 4.350 0.001 0.000 0.266 175 T C 2.070 176.671 174.700 -0.165 0.000 1.037 175 T CA 1.537 63.701 62.100 0.107 0.000 1.146 175 T CB -0.191 68.776 68.868 0.165 0.000 0.865 175 T HN 0.448 nan 8.240 nan 0.000 0.435 176 A N 0.286 123.055 122.820 -0.084 0.000 1.877 176 A HA -0.098 4.223 4.320 0.001 0.000 0.216 176 A C 2.106 179.643 177.584 -0.078 0.000 1.186 176 A CA 1.627 53.594 52.037 -0.117 0.000 0.620 176 A CB -1.095 17.934 19.000 0.049 0.000 0.822 176 A HN 0.597 nan 8.150 nan 0.000 0.443 177 Y N 0.419 120.688 120.300 -0.051 0.000 2.145 177 Y HA -0.183 4.368 4.550 0.001 0.000 0.286 177 Y C 2.046 177.948 175.900 0.003 0.000 1.145 177 Y CA 2.050 60.154 58.100 0.006 0.000 1.148 177 Y CB -0.246 38.230 38.460 0.027 0.000 0.981 177 Y HN 0.223 nan 8.280 nan 0.000 0.507 178 L N -0.750 120.566 121.223 0.156 0.000 2.056 178 L HA -0.270 4.071 4.340 0.001 0.000 0.207 178 L C 2.552 179.474 176.870 0.087 0.000 1.078 178 L CA 1.515 56.450 54.840 0.159 0.000 0.749 178 L CB -0.537 41.700 42.059 0.297 0.000 0.901 178 L HN 0.310 nan 8.230 nan 0.000 0.433 179 M N -0.578 118.862 119.600 -0.267 0.000 2.149 179 M HA -0.243 4.238 4.480 0.001 0.000 0.261 179 M C 2.171 178.397 176.300 -0.123 0.000 1.064 179 M CA 1.799 56.903 55.300 -0.325 0.000 1.102 179 M CB -0.304 31.886 32.600 -0.683 0.000 1.369 179 M HN 0.263 nan 8.290 nan 0.000 0.408 180 L N -0.860 120.239 121.223 -0.207 0.000 2.341 180 L HA -0.075 4.266 4.340 0.001 0.000 0.214 180 L C 2.289 179.121 176.870 -0.062 0.000 1.115 180 L CA 1.195 55.917 54.840 -0.198 0.000 0.820 180 L CB -0.440 41.468 42.059 -0.251 0.000 0.944 180 L HN 0.448 nan 8.230 nan 0.000 0.452 181 T N -6.939 107.563 114.554 -0.088 0.000 2.955 181 T HA -0.024 4.327 4.350 0.001 0.000 0.251 181 T C 1.445 176.156 174.700 0.019 0.000 1.002 181 T CA -0.030 62.032 62.100 -0.063 0.000 0.970 181 T CB -0.057 68.640 68.868 -0.285 0.000 1.091 181 T HN 0.177 nan 8.240 nan 0.000 0.495 182 H N -0.591 118.436 119.070 -0.072 0.000 2.622 182 H HA 0.416 4.973 4.556 0.001 0.000 0.269 182 H C 0.672 175.681 175.328 -0.531 0.000 0.977 182 H CA 0.170 56.058 56.048 -0.267 0.000 1.179 182 H CB 0.261 29.842 29.762 -0.301 0.000 1.458 182 H HN 0.432 nan 8.280 nan 0.000 0.531 183 Y N -1.875 118.417 120.300 -0.013 0.000 2.673 183 Y HA 0.300 4.851 4.550 0.001 0.000 0.278 183 Y C 0.087 175.958 175.900 -0.048 0.000 1.127 183 Y CA 0.433 58.516 58.100 -0.028 0.000 1.261 183 Y CB 0.934 39.413 38.460 0.031 0.000 1.412 183 Y HN 0.015 nan 8.280 nan 0.000 0.496 184 V N 0.958 120.926 119.914 0.090 0.000 2.841 184 V HA 0.414 4.535 4.120 0.001 0.000 0.310 184 V C -1.293 174.782 176.094 -0.033 0.000 1.090 184 V CA -1.167 61.144 62.300 0.019 0.000 0.930 184 V CB 2.043 33.884 31.823 0.030 0.000 1.014 184 V HN 0.118 nan 8.190 nan 0.000 0.425 185 K N 6.434 126.808 120.400 -0.042 0.000 2.267 185 K HA 0.509 4.830 4.320 0.001 0.000 0.282 185 K C -1.041 175.494 176.600 -0.109 0.000 1.078 185 K CA -0.504 55.751 56.287 -0.054 0.000 0.903 185 K CB 0.558 33.048 32.500 -0.016 0.000 1.111 185 K HN 0.737 nan 8.250 nan 0.000 0.475 186 L N 4.177 125.237 121.223 -0.273 0.000 2.290 186 L HA 0.187 4.527 4.340 0.001 0.000 0.284 186 L C 0.262 177.011 176.870 -0.201 0.000 1.078 186 L CA -0.638 53.959 54.840 -0.406 0.000 0.815 186 L CB 1.374 42.787 42.059 -1.075 0.000 1.162 186 L HN 0.640 nan 8.230 nan 0.000 0.435 187 T N 4.745 119.263 114.554 -0.060 0.000 2.784 187 T HA 0.133 4.484 4.350 0.001 0.000 0.291 187 T C -2.241 172.526 174.700 0.111 0.000 0.942 187 T CA -0.822 61.304 62.100 0.044 0.000 1.161 187 T CB 0.283 69.175 68.868 0.041 0.000 0.885 187 T HN 0.323 nan 8.240 nan 0.000 0.534 188 P HA 0.181 nan 4.420 nan 0.000 0.265 188 P C 1.073 178.438 177.300 0.109 0.000 1.193 188 P CA 0.697 63.934 63.100 0.228 0.000 0.765 188 P CB 0.309 32.108 31.700 0.165 0.000 0.823 189 G N 2.194 111.039 108.800 0.075 0.000 2.179 189 G HA2 -0.303 3.658 3.960 0.001 0.000 0.260 189 G HA3 -0.303 3.658 3.960 0.001 0.000 0.260 189 G C 0.794 175.692 174.900 -0.003 0.000 0.977 189 G CA 0.661 45.767 45.100 0.011 0.000 0.641 189 G HN 0.561 nan 8.290 nan 0.000 0.533 190 K N -1.055 119.350 120.400 0.009 0.000 2.757 190 K HA 0.134 4.455 4.320 0.001 0.000 0.201 190 K C 0.036 176.658 176.600 0.037 0.000 1.495 190 K CA -0.084 56.225 56.287 0.037 0.000 1.090 190 K CB 0.463 33.005 32.500 0.070 0.000 1.796 190 K HN 0.199 nan 8.250 nan 0.000 0.523 191 D N -0.224 120.190 120.400 0.023 0.000 2.383 191 D HA 0.158 4.799 4.640 0.001 0.000 0.248 191 D C -0.652 175.642 176.300 -0.009 0.000 1.170 191 D CA 0.200 54.259 54.000 0.098 0.000 0.977 191 D CB 0.588 41.395 40.800 0.012 0.000 1.120 191 D HN -0.044 nan 8.370 nan 0.000 0.481 192 W N 0.361 121.668 121.300 0.010 0.000 2.844 192 W HA 0.431 5.092 4.660 0.001 0.000 0.340 192 W C -0.313 176.257 176.519 0.084 0.000 1.093 192 W CA -0.989 56.365 57.345 0.015 0.000 1.212 192 W CB 0.680 30.146 29.460 0.010 0.000 1.422 192 W HN 0.187 nan 8.180 nan 0.000 0.515 193 F N 1.482 121.569 119.950 0.228 0.000 2.541 193 F HA 0.879 5.407 4.527 0.001 0.000 0.331 193 F C -1.059 174.887 175.800 0.242 0.000 1.057 193 F CA -1.805 56.304 58.000 0.181 0.000 0.975 193 F CB 1.358 40.416 39.000 0.097 0.000 1.246 193 F HN 0.263 nan 8.300 nan 0.000 0.484 194 I N 2.238 123.004 120.570 0.327 0.000 2.582 194 I HA 0.395 4.566 4.170 0.001 0.000 0.292 194 I C -1.716 174.582 176.117 0.301 0.000 1.066 194 I CA -0.575 60.855 61.300 0.217 0.000 1.053 194 I CB 2.010 40.115 38.000 0.176 0.000 1.241 194 I HN 0.974 nan 8.210 nan 0.000 0.421 195 Q N 4.843 124.801 119.800 0.264 0.000 2.389 195 Q HA 0.501 4.842 4.340 0.001 0.000 0.277 195 Q C -1.688 174.430 176.000 0.197 0.000 1.082 195 Q CA -0.997 54.976 55.803 0.283 0.000 0.810 195 Q CB 2.049 31.015 28.738 0.379 0.000 1.374 195 Q HN 0.699 nan 8.270 nan 0.000 0.422 196 N N 0.320 119.124 118.700 0.173 0.000 2.566 196 N HA 0.443 5.183 4.740 0.001 0.000 0.299 196 N C 0.518 176.104 175.510 0.126 0.000 1.277 196 N CA 0.017 53.139 53.050 0.119 0.000 0.965 196 N CB -0.030 38.505 38.487 0.079 0.000 1.142 196 N HN 1.005 nan 8.380 nan 0.000 0.596 197 G N -1.958 106.891 108.800 0.081 0.000 2.421 197 G HA2 -0.196 3.765 3.960 0.001 0.000 0.300 197 G HA3 -0.196 3.765 3.960 0.001 0.000 0.300 197 G C 0.935 175.900 174.900 0.109 0.000 0.974 197 G CA 0.718 45.865 45.100 0.080 0.000 1.062 197 G HN 1.013 nan 8.290 nan 0.000 0.514 198 G N -0.331 108.527 108.800 0.097 0.000 2.448 198 G HA2 -0.019 3.942 3.960 0.001 0.000 0.219 198 G HA3 -0.019 3.942 3.960 0.001 0.000 0.219 198 G C 1.755 176.698 174.900 0.072 0.000 1.127 198 G CA 1.868 47.027 45.100 0.097 0.000 0.766 198 G HN 1.424 nan 8.290 nan 0.000 0.552 199 T N -0.751 113.836 114.554 0.055 0.000 3.129 199 T HA 0.200 4.551 4.350 0.001 0.000 0.251 199 T C 1.490 176.216 174.700 0.044 0.000 1.117 199 T CA 0.596 62.718 62.100 0.036 0.000 1.034 199 T CB -0.256 68.627 68.868 0.026 0.000 0.968 199 T HN 0.337 nan 8.240 nan 0.000 0.526 200 S N 0.606 116.350 115.700 0.074 0.000 2.589 200 S HA 0.580 5.051 4.470 0.001 0.000 0.265 200 S C 1.799 176.452 174.600 0.088 0.000 1.342 200 S CA -0.298 57.961 58.200 0.097 0.000 1.005 200 S CB 0.826 64.114 63.200 0.147 0.000 0.909 200 S HN 0.452 nan 8.310 nan 0.000 0.555 201 A N 1.688 124.573 122.820 0.109 0.000 1.902 201 A HA -0.008 4.313 4.320 0.001 0.000 0.217 201 A C 2.213 179.901 177.584 0.174 0.000 1.181 201 A CA 1.676 53.769 52.037 0.093 0.000 0.623 201 A CB -1.368 17.750 19.000 0.197 0.000 0.818 201 A HN 0.831 nan 8.150 nan 0.000 0.443 202 V N -0.011 120.072 119.914 0.282 0.000 2.343 202 V HA -0.203 3.918 4.120 0.001 0.000 0.247 202 V C 2.833 179.059 176.094 0.220 0.000 1.051 202 V CA 1.995 64.477 62.300 0.304 0.000 1.036 202 V CB -1.518 30.486 31.823 0.303 0.000 0.654 202 V HN 0.622 nan 8.190 nan 0.000 0.451 203 G N -0.362 108.562 108.800 0.206 0.000 2.440 203 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 203 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 203 G C 1.676 176.642 174.900 0.110 0.000 1.154 203 G CA 0.970 46.176 45.100 0.176 0.000 0.767 203 G HN 0.482 nan 8.290 nan 0.000 0.552 204 K N -0.738 119.672 120.400 0.016 0.000 2.097 204 K HA -0.011 4.310 4.320 0.001 0.000 0.205 204 K C 2.191 178.712 176.600 -0.131 0.000 1.050 204 K CA 0.951 57.181 56.287 -0.095 0.000 0.938 204 K CB -0.242 32.129 32.500 -0.215 0.000 0.718 204 K HN 0.496 nan 8.250 nan 0.000 0.442 205 Y N 0.465 120.811 120.300 0.076 0.000 2.242 205 Y HA -0.181 4.370 4.550 0.001 0.000 0.291 205 Y C 2.465 178.395 175.900 0.050 0.000 1.137 205 Y CA 0.759 58.894 58.100 0.058 0.000 1.181 205 Y CB -0.165 38.339 38.460 0.074 0.000 0.989 205 Y HN 0.086 nan 8.280 nan 0.000 0.527 206 A N -0.440 122.496 122.820 0.192 0.000 1.902 206 A HA -0.201 4.120 4.320 0.001 0.000 0.217 206 A C 2.371 180.100 177.584 0.243 0.000 1.181 206 A CA 2.055 54.173 52.037 0.136 0.000 0.623 206 A CB -1.017 18.047 19.000 0.107 0.000 0.818 206 A HN 0.376 nan 8.150 nan 0.000 0.443 207 S N -0.320 115.513 115.700 0.221 0.000 2.370 207 S HA -0.221 4.250 4.470 0.001 0.000 0.226 207 S C 2.136 176.780 174.600 0.073 0.000 1.033 207 S CA 1.679 59.981 58.200 0.170 0.000 1.011 207 S CB -0.335 62.909 63.200 0.073 0.000 0.852 207 S HN 0.705 nan 8.310 nan 0.000 0.457 208 Q N 0.188 120.003 119.800 0.024 0.000 2.079 208 Q HA 0.045 4.386 4.340 0.001 0.000 0.200 208 Q C 2.148 178.067 176.000 -0.134 0.000 0.974 208 Q CA 1.064 56.828 55.803 -0.065 0.000 0.840 208 Q CB -0.272 28.429 28.738 -0.062 0.000 0.898 208 Q HN 0.520 nan 8.270 nan 0.000 0.430 209 I N 0.322 120.860 120.570 -0.054 0.000 2.315 209 I HA -0.169 4.002 4.170 0.001 0.000 0.248 209 I C 2.311 178.343 176.117 -0.142 0.000 1.117 209 I CA 0.967 62.205 61.300 -0.103 0.000 1.404 209 I CB -0.562 37.494 38.000 0.092 0.000 1.071 209 I HN 0.263 nan 8.210 nan 0.000 0.419 210 G N 1.000 109.817 108.800 0.028 0.000 2.459 210 G HA2 -0.323 3.638 3.960 0.001 0.000 0.217 210 G HA3 -0.323 3.638 3.960 0.001 0.000 0.217 210 G C 1.694 176.540 174.900 -0.090 0.000 1.183 210 G CA 0.986 46.168 45.100 0.136 0.000 0.776 210 G HN 0.313 nan 8.290 nan 0.000 0.552 211 K N 0.040 120.380 120.400 -0.101 0.000 2.063 211 K HA 0.007 4.328 4.320 0.001 0.000 0.208 211 K C 2.526 178.987 176.600 -0.231 0.000 1.048 211 K CA 1.016 57.209 56.287 -0.158 0.000 0.928 211 K CB -0.273 32.140 32.500 -0.146 0.000 0.713 211 K HN 0.366 nan 8.250 nan 0.000 0.442 212 L N 0.635 121.666 121.223 -0.320 0.000 2.141 212 L HA -0.116 4.225 4.340 0.001 0.000 0.209 212 L C 1.945 178.644 176.870 -0.285 0.000 1.094 212 L CA 0.754 55.361 54.840 -0.387 0.000 0.763 212 L CB -0.113 41.485 42.059 -0.769 0.000 0.908 212 L HN 0.209 nan 8.230 nan 0.000 0.437 213 L N -0.714 120.273 121.223 -0.394 0.000 2.607 213 L HA 0.114 4.455 4.340 0.001 0.000 0.228 213 L C 0.441 176.992 176.870 -0.532 0.000 1.123 213 L CA -0.171 54.348 54.840 -0.535 0.000 0.890 213 L CB -0.214 41.242 42.059 -1.005 0.000 1.103 213 L HN 0.321 nan 8.230 nan 0.000 0.468 214 N N 0.723 119.229 118.700 -0.324 0.000 2.758 214 N HA -0.234 4.507 4.740 0.001 0.000 0.248 214 N C -0.598 174.937 175.510 0.041 0.000 1.076 214 N CA 0.593 53.560 53.050 -0.138 0.000 0.696 214 N CB -1.455 36.993 38.487 -0.064 0.000 0.979 214 N HN 0.257 nan 8.380 nan 0.000 0.550 215 F N 0.245 120.164 119.950 -0.053 0.000 2.404 215 F HA 0.382 4.910 4.527 0.002 0.000 0.339 215 F C 1.240 176.897 175.800 -0.238 0.000 1.105 215 F CA -1.338 56.625 58.000 -0.063 0.000 1.087 215 F CB 0.779 39.870 39.000 0.151 0.000 1.143 215 F HN -0.091 nan 8.300 nan 0.000 0.491 216 N N 1.635 120.136 118.700 -0.332 0.000 2.525 216 N HA 0.273 5.014 4.740 0.001 0.000 0.271 216 N C -0.604 174.485 175.510 -0.702 0.000 1.194 216 N CA -0.030 52.483 53.050 -0.895 0.000 0.964 216 N CB 1.651 38.838 38.487 -2.167 0.000 1.126 216 N HN 0.686 nan 8.380 nan 0.000 0.452 217 S N -0.056 115.279 115.700 -0.609 0.000 2.550 217 S HA 0.651 5.122 4.470 0.001 0.000 0.270 217 S C -0.849 173.703 174.600 -0.080 0.000 1.145 217 S CA -0.927 56.938 58.200 -0.557 0.000 0.852 217 S CB 1.071 63.535 63.200 -1.227 0.000 1.119 217 S HN 0.374 nan 8.310 nan 0.000 0.465 218 I N 1.886 122.455 120.570 -0.001 0.000 2.418 218 I HA 0.424 4.595 4.170 0.001 0.000 0.287 218 I C -0.361 175.789 176.117 0.054 0.000 1.008 218 I CA -0.464 60.909 61.300 0.121 0.000 1.104 218 I CB 2.170 40.317 38.000 0.246 0.000 1.264 218 I HN 0.619 nan 8.210 nan 0.000 0.438 219 S N 5.006 120.743 115.700 0.061 0.000 2.462 219 S HA 0.531 5.002 4.470 0.001 0.000 0.294 219 S C -0.250 174.403 174.600 0.088 0.000 1.144 219 S CA -0.597 57.652 58.200 0.081 0.000 1.088 219 S CB 1.716 64.954 63.200 0.064 0.000 1.009 219 S HN 0.283 nan 8.310 nan 0.000 0.484 220 V N 5.466 125.436 119.914 0.092 0.000 2.435 220 V HA 0.596 4.717 4.120 0.001 0.000 0.290 220 V C 0.086 176.213 176.094 0.055 0.000 1.030 220 V CA -0.637 61.705 62.300 0.069 0.000 0.881 220 V CB 0.806 32.671 31.823 0.069 0.000 0.983 220 V HN 0.832 nan 8.190 nan 0.000 0.445 221 I N 1.421 122.011 120.570 0.033 0.000 2.934 221 I HA 0.690 4.860 4.170 0.001 0.000 0.306 221 I C -0.218 175.904 176.117 0.009 0.000 1.110 221 I CA -1.249 60.066 61.300 0.025 0.000 1.019 221 I CB 2.157 40.171 38.000 0.023 0.000 1.227 221 I HN 0.399 nan 8.210 nan 0.000 0.434 222 R N 2.133 122.638 120.500 0.009 0.000 2.590 222 R HA 0.128 4.468 4.340 0.001 0.000 0.274 222 R C -0.480 175.817 176.300 -0.005 0.000 1.061 222 R CA -0.463 55.637 56.100 0.000 0.000 1.081 222 R CB 0.286 30.588 30.300 0.003 0.000 0.984 222 R HN 0.595 nan 8.270 nan 0.000 0.448 223 D N 2.139 122.532 120.400 -0.012 0.000 2.423 223 D HA 0.008 4.649 4.640 0.001 0.000 0.238 223 D C -0.032 176.263 176.300 -0.008 0.000 1.142 223 D CA 0.492 54.483 54.000 -0.014 0.000 0.884 223 D CB 0.688 41.475 40.800 -0.021 0.000 1.199 223 D HN 0.458 nan 8.370 nan 0.000 0.438 224 R N 1.378 121.874 120.500 -0.007 0.000 2.716 224 R HA 0.336 4.677 4.340 0.001 0.000 0.271 224 R C -2.462 173.834 176.300 -0.005 0.000 1.028 224 R CA -1.251 54.846 56.100 -0.005 0.000 0.883 224 R CB 0.053 30.351 30.300 -0.003 0.000 1.250 224 R HN 0.091 nan 8.270 nan 0.000 0.465 225 P HA -0.140 nan 4.420 nan 0.000 0.215 225 P C 0.357 177.655 177.300 -0.004 0.000 1.157 225 P CA 1.382 64.479 63.100 -0.004 0.000 0.868 225 P CB -0.006 31.692 31.700 -0.004 0.000 0.788 226 N N 0.428 119.126 118.700 -0.004 0.000 2.623 226 N HA -0.017 4.724 4.740 0.001 0.000 0.263 226 N C 1.144 176.652 175.510 -0.003 0.000 1.218 226 N CA -0.115 52.932 53.050 -0.003 0.000 0.949 226 N CB -0.819 37.666 38.487 -0.004 0.000 1.270 226 N HN 0.019 nan 8.380 nan 0.000 0.507 227 L N 0.712 121.933 121.223 -0.004 0.000 2.021 227 L HA -0.221 4.120 4.340 0.001 0.000 0.215 227 L C 1.117 177.986 176.870 -0.002 0.000 1.074 227 L CA 2.032 56.870 54.840 -0.004 0.000 0.760 227 L CB -0.590 41.466 42.059 -0.006 0.000 0.889 227 L HN 0.079 nan 8.230 nan 0.000 0.433 228 D N -0.587 119.812 120.400 -0.002 0.000 2.117 228 D HA -0.185 4.456 4.640 0.001 0.000 0.197 228 D C 2.172 178.470 176.300 -0.003 0.000 0.987 228 D CA 1.411 55.411 54.000 -0.001 0.000 0.829 228 D CB -0.054 40.746 40.800 0.000 0.000 0.961 228 D HN 0.513 nan 8.370 nan 0.000 0.460 229 E N -0.168 120.030 120.200 -0.004 0.000 2.110 229 E HA -0.113 4.238 4.350 0.001 0.000 0.193 229 E C 2.142 178.738 176.600 -0.006 0.000 0.988 229 E CA 0.552 56.949 56.400 -0.005 0.000 0.804 229 E CB 0.193 29.890 29.700 -0.005 0.000 0.745 229 E HN 0.058 nan 8.360 nan 0.000 0.458 230 V N 0.246 120.158 119.914 -0.004 0.000 2.358 230 V HA -0.209 3.912 4.120 0.001 0.000 0.246 230 V C 2.249 178.340 176.094 -0.004 0.000 1.047 230 V CA 1.137 63.435 62.300 -0.004 0.000 1.035 230 V CB -0.247 31.576 31.823 -0.001 0.000 0.658 230 V HN 0.150 nan 8.190 nan 0.000 0.452 231 V N 0.439 120.351 119.914 -0.003 0.000 2.332 231 V HA -0.293 3.828 4.120 0.001 0.000 0.248 231 V C 2.729 178.817 176.094 -0.011 0.000 1.055 231 V CA 2.160 64.458 62.300 -0.004 0.000 1.038 231 V CB -1.081 30.742 31.823 0.000 0.000 0.651 231 V HN 0.566 nan 8.190 nan 0.000 0.450 232 A N -0.711 122.102 122.820 -0.011 0.000 1.902 232 A HA -0.223 4.098 4.320 0.001 0.000 0.217 232 A C 2.492 180.064 177.584 -0.019 0.000 1.181 232 A CA 2.309 54.337 52.037 -0.015 0.000 0.623 232 A CB -0.742 18.251 19.000 -0.012 0.000 0.818 232 A HN 0.507 nan 8.150 nan 0.000 0.443 233 S N -0.157 115.533 115.700 -0.016 0.000 2.359 233 S HA -0.106 4.365 4.470 0.001 0.000 0.224 233 S C 1.825 176.411 174.600 -0.024 0.000 1.035 233 S CA 1.568 59.757 58.200 -0.019 0.000 1.018 233 S CB -0.449 62.741 63.200 -0.017 0.000 0.876 233 S HN 0.516 nan 8.310 nan 0.000 0.448 234 L N 0.812 122.024 121.223 -0.019 0.000 2.109 234 L HA -0.058 4.283 4.340 0.001 0.000 0.207 234 L C 2.377 179.230 176.870 -0.028 0.000 1.086 234 L CA 1.100 55.929 54.840 -0.018 0.000 0.760 234 L CB -0.427 41.629 42.059 -0.005 0.000 0.910 234 L HN 0.234 nan 8.230 nan 0.000 0.437 235 K N 0.024 120.404 120.400 -0.033 0.000 2.097 235 K HA -0.219 4.102 4.320 0.001 0.000 0.205 235 K C 2.041 178.610 176.600 -0.051 0.000 1.050 235 K CA 1.322 57.580 56.287 -0.048 0.000 0.938 235 K CB -0.009 32.463 32.500 -0.048 0.000 0.718 235 K HN 0.093 nan 8.250 nan 0.000 0.442 236 E N 1.333 121.508 120.200 -0.042 0.000 2.106 236 E HA -0.117 4.234 4.350 0.001 0.000 0.192 236 E C 1.730 178.301 176.600 -0.049 0.000 0.984 236 E CA 0.975 57.349 56.400 -0.043 0.000 0.806 236 E CB -0.129 29.551 29.700 -0.033 0.000 0.750 236 E HN 0.185 nan 8.360 nan 0.000 0.458 237 L N -1.427 119.768 121.223 -0.046 0.000 2.083 237 L HA -0.003 4.338 4.340 0.001 0.000 0.209 237 L C 1.743 178.578 176.870 -0.059 0.000 1.083 237 L CA 1.274 56.082 54.840 -0.052 0.000 0.752 237 L CB -0.136 41.895 42.059 -0.048 0.000 0.899 237 L HN 0.505 nan 8.230 nan 0.000 0.433 238 G N -1.939 106.828 108.800 -0.056 0.000 3.288 238 G HA2 -0.019 3.942 3.960 0.001 0.000 0.219 238 G HA3 -0.019 3.942 3.960 0.001 0.000 0.219 238 G C 0.217 175.073 174.900 -0.073 0.000 0.944 238 G CA -0.202 44.857 45.100 -0.069 0.000 0.854 238 G HN 0.357 nan 8.290 nan 0.000 0.632 239 A N 0.830 123.614 122.820 -0.060 0.000 2.520 239 A HA 0.588 4.909 4.320 0.001 0.000 0.245 239 A C 1.526 179.040 177.584 -0.117 0.000 1.072 239 A CA 1.457 53.446 52.037 -0.080 0.000 0.761 239 A CB 0.319 19.295 19.000 -0.040 0.000 1.004 239 A HN 0.493 nan 8.150 nan 0.000 0.499 240 T N 1.699 116.155 114.554 -0.163 0.000 2.851 240 T HA 0.020 4.370 4.350 0.001 0.000 0.262 240 T C 0.661 175.251 174.700 -0.184 0.000 1.043 240 T CA 1.148 63.132 62.100 -0.193 0.000 1.140 240 T CB -0.023 68.665 68.868 -0.300 0.000 0.872 240 T HN 0.716 nan 8.240 nan 0.000 0.446 241 Q N 0.399 120.113 119.800 -0.143 0.000 2.397 241 Q HA 0.601 4.942 4.340 0.001 0.000 0.275 241 Q C -1.481 174.500 176.000 -0.032 0.000 1.090 241 Q CA -0.492 55.191 55.803 -0.200 0.000 0.809 241 Q CB 3.105 31.508 28.738 -0.558 0.000 1.362 241 Q HN 0.071 nan 8.270 nan 0.000 0.431 242 V N 3.475 123.393 119.914 0.006 0.000 2.444 242 V HA 0.573 4.694 4.120 0.001 0.000 0.294 242 V C 0.039 176.185 176.094 0.086 0.000 1.022 242 V CA -0.692 61.636 62.300 0.046 0.000 0.850 242 V CB 1.548 33.383 31.823 0.018 0.000 0.992 242 V HN 0.704 nan 8.190 nan 0.000 0.426 243 I N 1.711 122.337 120.570 0.094 0.000 2.846 243 I HA 0.859 5.029 4.170 0.001 0.000 0.307 243 I C 0.440 176.547 176.117 -0.018 0.000 1.053 243 I CA -0.511 60.810 61.300 0.035 0.000 1.050 243 I CB 2.505 40.542 38.000 0.062 0.000 1.239 243 I HN 0.634 nan 8.210 nan 0.000 0.439 244 T N -0.576 113.929 114.554 -0.082 0.000 2.816 244 T HA 0.274 4.624 4.350 0.001 0.000 0.282 244 T C 0.804 175.467 174.700 -0.062 0.000 0.993 244 T CA -0.406 61.656 62.100 -0.064 0.000 0.994 244 T CB 1.305 70.126 68.868 -0.079 0.000 1.025 244 T HN 0.693 nan 8.240 nan 0.000 0.529 245 E N 0.582 120.759 120.200 -0.037 0.000 2.150 245 E HA -0.123 4.228 4.350 0.001 0.000 0.193 245 E C 1.760 178.332 176.600 -0.047 0.000 0.985 245 E CA 1.046 57.429 56.400 -0.028 0.000 0.814 245 E CB -0.239 29.453 29.700 -0.013 0.000 0.752 245 E HN 0.657 nan 8.360 nan 0.000 0.466 246 D N 0.908 121.271 120.400 -0.062 0.000 2.123 246 D HA -0.172 4.469 4.640 0.001 0.000 0.196 246 D C 1.960 178.193 176.300 -0.112 0.000 0.992 246 D CA 0.998 54.954 54.000 -0.073 0.000 0.833 246 D CB -0.134 40.624 40.800 -0.070 0.000 0.954 246 D HN 0.310 nan 8.370 nan 0.000 0.455 247 Q N 0.234 119.916 119.800 -0.196 0.000 2.124 247 Q HA -0.141 4.199 4.340 0.001 0.000 0.202 247 Q C 1.964 177.871 176.000 -0.154 0.000 0.977 247 Q CA 0.806 56.401 55.803 -0.347 0.000 0.850 247 Q CB -0.076 28.228 28.738 -0.722 0.000 0.901 247 Q HN 0.132 nan 8.270 nan 0.000 0.429 248 N N 1.145 119.796 118.700 -0.082 0.000 2.104 248 N HA -0.170 4.570 4.740 0.001 0.000 0.190 248 N C 0.965 176.471 175.510 -0.007 0.000 1.024 248 N CA 1.600 54.644 53.050 -0.011 0.000 0.853 248 N CB -0.197 38.290 38.487 -0.001 0.000 1.008 248 N HN 0.274 nan 8.380 nan 0.000 0.424 249 N N -0.996 117.691 118.700 -0.021 0.000 2.381 249 N HA -0.071 4.670 4.740 0.001 0.000 0.182 249 N C -0.117 175.389 175.510 -0.008 0.000 1.025 249 N CA 0.099 53.140 53.050 -0.016 0.000 0.888 249 N CB -0.034 38.441 38.487 -0.020 0.000 0.965 249 N HN 0.036 nan 8.380 nan 0.000 0.438 250 S N 0.889 116.590 115.700 0.002 0.000 2.422 250 S HA 0.142 4.613 4.470 0.001 0.000 0.283 250 S C 1.140 175.765 174.600 0.041 0.000 1.163 250 S CA -0.588 57.628 58.200 0.026 0.000 1.054 250 S CB 0.849 64.077 63.200 0.047 0.000 0.967 250 S HN 0.201 nan 8.310 nan 0.000 0.499 251 R N 3.608 124.115 120.500 0.012 0.000 2.091 251 R HA -0.098 4.243 4.340 0.001 0.000 0.238 251 R C 1.593 177.890 176.300 -0.005 0.000 1.136 251 R CA 1.710 57.807 56.100 -0.006 0.000 0.959 251 R CB -0.142 30.149 30.300 -0.015 0.000 0.856 251 R HN 0.680 nan 8.270 nan 0.000 0.437 252 E N -0.278 119.931 120.200 0.015 0.000 2.118 252 E HA -0.225 4.126 4.350 0.001 0.000 0.195 252 E C 1.637 178.247 176.600 0.017 0.000 0.992 252 E CA 1.111 57.518 56.400 0.012 0.000 0.804 252 E CB -0.232 29.486 29.700 0.032 0.000 0.741 252 E HN 0.355 nan 8.360 nan 0.000 0.458 253 F N 0.998 120.886 119.950 -0.103 0.000 2.512 253 F HA 0.100 4.628 4.527 0.001 0.000 0.296 253 F C 2.112 177.788 175.800 -0.206 0.000 1.110 253 F CA 0.879 58.792 58.000 -0.144 0.000 1.446 253 F CB -0.214 38.714 39.000 -0.120 0.000 1.092 253 F HN -0.027 nan 8.300 nan 0.000 0.554 254 G N 1.363 110.091 108.800 -0.120 0.000 2.529 254 G HA2 -0.280 3.681 3.960 0.001 0.000 0.219 254 G HA3 -0.280 3.681 3.960 0.001 0.000 0.219 254 G C -0.598 174.094 174.900 -0.347 0.000 1.177 254 G CA 1.031 46.011 45.100 -0.199 0.000 0.773 254 G HN 0.276 nan 8.290 nan 0.000 0.573 255 P HA -0.032 nan 4.420 nan 0.000 0.219 255 P C 1.935 178.941 177.300 -0.490 0.000 1.146 255 P CA 1.509 64.411 63.100 -0.331 0.000 0.808 255 P CB -0.175 31.381 31.700 -0.240 0.000 0.779 256 T N -0.654 113.457 114.554 -0.738 0.000 2.777 256 T HA -0.084 4.267 4.350 0.001 0.000 0.266 256 T C 1.725 175.608 174.700 -1.361 0.000 1.040 256 T CA 1.047 62.531 62.100 -1.026 0.000 1.141 256 T CB -0.794 67.219 68.868 -1.425 0.000 0.868 256 T HN 0.088 nan 8.240 nan 0.000 0.444 257 I N 0.718 120.506 120.570 -1.303 0.000 2.226 257 I HA -0.174 3.997 4.170 0.001 0.000 0.245 257 I C 2.541 178.280 176.117 -0.631 0.000 1.100 257 I CA 1.298 61.946 61.300 -1.087 0.000 1.374 257 I CB -0.307 37.347 38.000 -0.578 0.000 1.057 257 I HN 0.175 nan 8.210 nan 0.000 0.413 258 K N 0.702 120.814 120.400 -0.481 0.000 2.113 258 K HA -0.232 4.089 4.320 0.001 0.000 0.208 258 K C 1.986 178.424 176.600 -0.270 0.000 1.047 258 K CA 1.637 57.733 56.287 -0.319 0.000 0.928 258 K CB -0.178 32.175 32.500 -0.246 0.000 0.716 258 K HN 0.413 nan 8.250 nan 0.000 0.446 259 E N -0.335 119.670 120.200 -0.324 0.000 2.077 259 E HA -0.187 4.164 4.350 0.001 0.000 0.193 259 E C 1.911 178.485 176.600 -0.042 0.000 0.989 259 E CA 1.031 57.318 56.400 -0.189 0.000 0.800 259 E CB -0.064 29.509 29.700 -0.211 0.000 0.746 259 E HN 0.379 nan 8.360 nan 0.000 0.452 260 W N 0.727 121.911 121.300 -0.194 0.000 2.335 260 W HA -0.121 4.540 4.660 0.002 0.000 0.311 260 W C 2.115 178.533 176.519 -0.170 0.000 1.213 260 W CA 0.621 57.871 57.345 -0.158 0.000 1.274 260 W CB -1.042 28.248 29.460 -0.283 0.000 1.148 260 W HN 0.106 nan 8.180 nan 0.000 0.498 261 I N 0.196 120.658 120.570 -0.180 0.000 2.252 261 I HA -0.296 3.875 4.170 0.001 0.000 0.245 261 I C 2.488 178.613 176.117 0.015 0.000 1.102 261 I CA 1.661 62.789 61.300 -0.288 0.000 1.385 261 I CB -0.618 37.081 38.000 -0.502 0.000 1.064 261 I HN -0.128 nan 8.210 nan 0.000 0.414 262 K N 0.746 121.137 120.400 -0.016 0.000 2.063 262 K HA -0.296 4.024 4.320 0.001 0.000 0.208 262 K C 2.247 178.892 176.600 0.075 0.000 1.048 262 K CA 1.698 57.997 56.287 0.021 0.000 0.928 262 K CB -0.103 32.387 32.500 -0.017 0.000 0.713 262 K HN 0.059 nan 8.250 nan 0.000 0.442 263 Q N 0.709 120.571 119.800 0.104 0.000 2.124 263 Q HA -0.136 4.204 4.340 0.001 0.000 0.202 263 Q C 1.877 177.971 176.000 0.156 0.000 0.977 263 Q CA 2.308 58.185 55.803 0.124 0.000 0.850 263 Q CB -0.343 28.484 28.738 0.148 0.000 0.901 263 Q HN 0.470 nan 8.270 nan 0.000 0.429 264 S N -1.734 114.113 115.700 0.245 0.000 2.447 264 S HA 0.041 4.511 4.470 0.001 0.000 0.233 264 S C 1.650 176.364 174.600 0.189 0.000 1.006 264 S CA 0.983 59.345 58.200 0.271 0.000 0.957 264 S CB -0.503 63.021 63.200 0.540 0.000 0.773 264 S HN 0.758 nan 8.310 nan 0.000 0.507 265 G N 0.195 109.091 108.800 0.160 0.000 2.179 265 G HA2 -0.130 3.831 3.960 0.001 0.000 0.260 265 G HA3 -0.130 3.831 3.960 0.001 0.000 0.260 265 G C 0.451 175.430 174.900 0.130 0.000 0.977 265 G CA 0.228 45.397 45.100 0.115 0.000 0.641 265 G HN 1.133 nan 8.290 nan 0.000 0.533 266 G N -0.970 107.953 108.800 0.205 0.000 2.828 266 G HA2 0.697 4.658 3.960 0.001 0.000 0.244 266 G HA3 0.697 4.658 3.960 0.001 0.000 0.244 266 G C -0.532 174.495 174.900 0.211 0.000 1.365 266 G CA -0.184 45.048 45.100 0.220 0.000 1.041 266 G HN 0.423 nan 8.290 nan 0.000 0.560 267 E N -1.320 119.019 120.200 0.231 0.000 2.367 267 E HA 0.508 4.859 4.350 0.001 0.000 0.273 267 E C -0.947 175.780 176.600 0.212 0.000 0.903 267 E CA -1.020 55.471 56.400 0.151 0.000 0.764 267 E CB 2.433 32.190 29.700 0.094 0.000 1.252 267 E HN 0.561 nan 8.360 nan 0.000 0.446 268 A N 2.189 125.076 122.820 0.113 0.000 2.343 268 A HA 0.190 4.511 4.320 0.001 0.000 0.305 268 A C 0.414 178.079 177.584 0.135 0.000 1.308 268 A CA -0.012 52.117 52.037 0.153 0.000 0.949 268 A CB 0.001 19.034 19.000 0.055 0.000 1.148 268 A HN 0.557 nan 8.150 nan 0.000 0.545 269 K N 1.128 121.619 120.400 0.152 0.000 2.370 269 K HA 0.230 4.551 4.320 0.001 0.000 0.194 269 K C -0.506 176.164 176.600 0.116 0.000 1.070 269 K CA 0.200 56.553 56.287 0.110 0.000 0.998 269 K CB 0.410 32.951 32.500 0.068 0.000 0.911 269 K HN 0.551 nan 8.250 nan 0.000 0.533 270 L N 0.202 121.519 121.223 0.156 0.000 2.436 270 L HA 0.549 4.890 4.340 0.001 0.000 0.268 270 L C -1.936 175.067 176.870 0.220 0.000 0.974 270 L CA -0.688 54.244 54.840 0.154 0.000 0.826 270 L CB 1.944 44.068 42.059 0.108 0.000 1.291 270 L HN -0.041 nan 8.230 nan 0.000 0.406 271 A N 5.712 128.651 122.820 0.199 0.000 2.331 271 A HA 0.814 5.135 4.320 0.001 0.000 0.320 271 A C -1.445 176.257 177.584 0.196 0.000 1.138 271 A CA -0.519 51.653 52.037 0.224 0.000 0.790 271 A CB 0.936 20.075 19.000 0.230 0.000 1.206 271 A HN 0.690 nan 8.150 nan 0.000 0.470 272 L N 2.551 123.913 121.223 0.232 0.000 2.305 272 L HA 0.429 4.770 4.340 0.001 0.000 0.284 272 L C -0.307 176.737 176.870 0.289 0.000 1.013 272 L CA -0.700 54.290 54.840 0.250 0.000 0.819 272 L CB 1.571 43.773 42.059 0.237 0.000 1.227 272 L HN 0.798 nan 8.230 nan 0.000 0.417 273 N N 2.408 121.260 118.700 0.253 0.000 2.443 273 N HA 0.310 5.051 4.740 0.001 0.000 0.269 273 N C 0.059 175.506 175.510 -0.106 0.000 0.985 273 N CA -0.753 52.361 53.050 0.107 0.000 0.921 273 N CB 1.367 39.913 38.487 0.098 0.000 1.195 273 N HN 0.667 nan 8.380 nan 0.000 0.492 274 C N 1.585 120.737 119.300 -0.247 0.000 3.125 274 C HA 0.502 4.963 4.460 0.001 0.000 0.284 274 C C 0.938 175.804 174.990 -0.206 0.000 1.386 274 C CA -0.412 58.317 59.018 -0.482 0.000 1.763 274 C CB -1.395 25.854 27.740 -0.818 0.000 2.377 274 C HN 0.467 nan 8.230 nan 0.000 0.620 275 V N 1.170 121.027 119.914 -0.094 0.000 2.911 275 V HA 0.612 4.733 4.120 0.001 0.000 0.237 275 V C 1.718 177.801 176.094 -0.019 0.000 1.156 275 V CA 1.569 63.842 62.300 -0.045 0.000 1.180 275 V CB -0.652 31.164 31.823 -0.011 0.000 0.932 275 V HN 1.043 nan 8.190 nan 0.000 0.483 276 G N -0.456 108.344 108.800 -0.001 0.000 2.725 276 G HA2 0.342 4.303 3.960 0.001 0.000 0.220 276 G HA3 0.342 4.303 3.960 0.001 0.000 0.220 276 G C 0.544 175.460 174.900 0.027 0.000 1.357 276 G CA -0.429 44.684 45.100 0.022 0.000 0.866 276 G HN 1.738 nan 8.290 nan 0.000 0.548 277 G N -0.689 108.132 108.800 0.035 0.000 2.566 277 G HA2 -0.220 3.741 3.960 0.001 0.000 0.280 277 G HA3 -0.220 3.741 3.960 0.001 0.000 0.280 277 G C 1.129 176.040 174.900 0.018 0.000 1.225 277 G CA 1.231 46.349 45.100 0.029 0.000 0.966 277 G HN 1.549 nan 8.290 nan 0.000 0.560 278 K N 0.035 120.442 120.400 0.012 0.000 2.152 278 K HA -0.043 4.278 4.320 0.001 0.000 0.206 278 K C 2.949 179.549 176.600 0.001 0.000 1.048 278 K CA 1.613 57.902 56.287 0.002 0.000 0.933 278 K CB -0.331 32.169 32.500 0.000 0.000 0.721 278 K HN 0.375 nan 8.250 nan 0.000 0.447 279 S N 0.963 116.668 115.700 0.008 0.000 2.368 279 S HA -0.158 4.312 4.470 0.001 0.000 0.225 279 S C 2.124 176.735 174.600 0.018 0.000 1.030 279 S CA 1.901 60.109 58.200 0.013 0.000 0.999 279 S CB -0.226 62.984 63.200 0.018 0.000 0.844 279 S HN 0.459 nan 8.310 nan 0.000 0.459 280 S N 0.364 116.077 115.700 0.021 0.000 2.368 280 S HA -0.103 4.368 4.470 0.001 0.000 0.224 280 S C 1.951 176.547 174.600 -0.006 0.000 1.029 280 S CA 1.725 59.944 58.200 0.032 0.000 0.988 280 S CB -1.518 61.712 63.200 0.051 0.000 0.838 280 S HN 0.575 nan 8.310 nan 0.000 0.462 281 T N 2.041 116.580 114.554 -0.025 0.000 2.665 281 T HA -0.040 4.311 4.350 0.001 0.000 0.268 281 T C 2.001 176.649 174.700 -0.086 0.000 1.035 281 T CA 1.699 63.755 62.100 -0.073 0.000 1.151 281 T CB -1.296 67.542 68.868 -0.049 0.000 0.862 281 T HN 0.656 nan 8.240 nan 0.000 0.438 282 G N 1.825 110.599 108.800 -0.043 0.000 2.402 282 G HA2 -0.122 3.839 3.960 0.001 0.000 0.216 282 G HA3 -0.122 3.839 3.960 0.001 0.000 0.216 282 G C 1.622 176.504 174.900 -0.029 0.000 1.162 282 G CA 0.899 45.979 45.100 -0.034 0.000 0.777 282 G HN 0.689 nan 8.290 nan 0.000 0.539 283 I N -1.150 119.418 120.570 -0.004 0.000 2.439 283 I HA 0.173 4.344 4.170 0.001 0.000 0.251 283 I C 2.744 178.858 176.117 -0.004 0.000 1.139 283 I CA 1.262 62.580 61.300 0.028 0.000 1.438 283 I CB -0.312 37.737 38.000 0.082 0.000 1.085 283 I HN 0.123 nan 8.210 nan 0.000 0.427 284 A N 1.895 124.662 122.820 -0.090 0.000 1.902 284 A HA -0.134 4.186 4.320 0.001 0.000 0.217 284 A C 2.478 179.873 177.584 -0.315 0.000 1.181 284 A CA 1.433 53.297 52.037 -0.288 0.000 0.623 284 A CB -0.685 17.895 19.000 -0.699 0.000 0.818 284 A HN 0.460 nan 8.150 nan 0.000 0.443 285 R N -0.480 119.879 120.500 -0.236 0.000 2.193 285 R HA -0.067 4.274 4.340 0.001 0.000 0.229 285 R C 1.570 177.802 176.300 -0.112 0.000 1.110 285 R CA 1.387 57.380 56.100 -0.179 0.000 0.988 285 R CB -0.162 30.060 30.300 -0.130 0.000 0.871 285 R HN 0.476 nan 8.270 nan 0.000 0.458 286 K N 0.133 120.487 120.400 -0.077 0.000 2.426 286 K HA 0.117 4.438 4.320 0.001 0.000 0.193 286 K C 0.305 176.883 176.600 -0.037 0.000 1.028 286 K CA 0.107 56.360 56.287 -0.056 0.000 1.047 286 K CB 0.261 32.745 32.500 -0.026 0.000 0.821 286 K HN 0.058 nan 8.250 nan 0.000 0.513 287 L N 1.733 122.952 121.223 -0.007 0.000 2.417 287 L HA 0.068 4.409 4.340 0.001 0.000 0.268 287 L C 0.278 177.162 176.870 0.023 0.000 1.158 287 L CA -0.527 54.340 54.840 0.045 0.000 0.819 287 L CB 0.373 42.511 42.059 0.130 0.000 1.112 287 L HN 0.083 nan 8.230 nan 0.000 0.458 288 N N 0.953 119.674 118.700 0.035 0.000 2.326 288 N HA 0.025 4.766 4.740 0.001 0.000 0.239 288 N C -0.202 175.344 175.510 0.061 0.000 1.301 288 N CA -0.208 52.861 53.050 0.031 0.000 0.909 288 N CB 0.176 38.683 38.487 0.034 0.000 1.156 288 N HN 0.471 nan 8.380 nan 0.000 0.462 289 N N 1.888 120.620 118.700 0.054 0.000 2.329 289 N HA -0.024 4.716 4.740 0.001 0.000 0.237 289 N C -0.236 175.325 175.510 0.085 0.000 1.258 289 N CA 0.489 53.583 53.050 0.075 0.000 0.866 289 N CB -0.125 38.400 38.487 0.063 0.000 1.102 289 N HN 0.470 nan 8.380 nan 0.000 0.440 290 N N -2.086 116.674 118.700 0.100 0.000 2.776 290 N HA -0.133 4.608 4.740 0.001 0.000 0.249 290 N C 0.170 175.730 175.510 0.082 0.000 1.111 290 N CA 1.087 54.187 53.050 0.083 0.000 0.711 290 N CB -1.692 36.831 38.487 0.060 0.000 1.065 290 N HN 0.665 nan 8.380 nan 0.000 0.556 291 G N -0.036 108.845 108.800 0.133 0.000 2.572 291 G HA2 0.523 4.484 3.960 0.001 0.000 0.261 291 G HA3 0.523 4.484 3.960 0.001 0.000 0.261 291 G C -0.128 174.791 174.900 0.032 0.000 1.197 291 G CA -0.404 44.782 45.100 0.143 0.000 0.870 291 G HN 0.191 nan 8.290 nan 0.000 0.548 292 L N 0.877 122.113 121.223 0.021 0.000 2.365 292 L HA 0.736 5.076 4.340 0.001 0.000 0.273 292 L C -0.246 176.623 176.870 -0.002 0.000 1.000 292 L CA -0.830 53.961 54.840 -0.082 0.000 0.819 292 L CB 1.977 44.023 42.059 -0.023 0.000 1.284 292 L HN 0.582 nan 8.230 nan 0.000 0.418 293 M N 5.539 125.086 119.600 -0.090 0.000 2.383 293 M HA 0.553 5.034 4.480 0.001 0.000 0.325 293 M C -1.901 174.406 176.300 0.013 0.000 1.092 293 M CA -0.550 54.791 55.300 0.068 0.000 0.961 293 M CB 1.363 34.117 32.600 0.256 0.000 1.672 293 M HN 0.567 nan 8.290 nan 0.000 0.438 294 L N 4.155 125.403 121.223 0.041 0.000 2.305 294 L HA 0.474 4.815 4.340 0.001 0.000 0.284 294 L C -0.433 176.530 176.870 0.154 0.000 1.013 294 L CA -0.597 54.263 54.840 0.033 0.000 0.819 294 L CB 1.954 43.961 42.059 -0.087 0.000 1.227 294 L HN 0.677 nan 8.230 nan 0.000 0.417 295 T N 2.242 116.891 114.554 0.158 0.000 2.744 295 T HA 0.242 4.593 4.350 0.001 0.000 0.291 295 T C 0.246 175.090 174.700 0.240 0.000 0.957 295 T CA -0.059 62.136 62.100 0.159 0.000 1.002 295 T CB 0.446 69.372 68.868 0.097 0.000 0.919 295 T HN 0.565 nan 8.240 nan 0.000 0.468 296 Y N 1.390 121.767 120.300 0.128 0.000 2.471 296 Y HA 0.694 5.245 4.550 0.001 0.000 0.249 296 Y C 0.481 176.463 175.900 0.137 0.000 1.116 296 Y CA -0.639 57.580 58.100 0.198 0.000 1.240 296 Y CB 0.534 39.159 38.460 0.274 0.000 1.251 296 Y HN 0.689 nan 8.280 nan 0.000 0.527 297 G N -0.526 108.092 108.800 -0.302 0.000 2.608 297 G HA2 0.462 4.423 3.960 0.001 0.000 0.291 297 G HA3 0.462 4.423 3.960 0.001 0.000 0.291 297 G C -1.144 173.641 174.900 -0.191 0.000 1.425 297 G CA -0.641 44.304 45.100 -0.257 0.000 0.787 297 G HN 0.495 nan 8.290 nan 0.000 0.484 298 G N -0.067 108.646 108.800 -0.145 0.000 4.142 298 G HA2 0.428 4.389 3.960 0.001 0.000 0.310 298 G HA3 0.428 4.389 3.960 0.001 0.000 0.310 298 G C 0.691 175.525 174.900 -0.111 0.000 1.384 298 G CA -0.225 44.812 45.100 -0.105 0.000 0.838 298 G HN 0.342 nan 8.290 nan 0.000 0.512 299 M N 0.536 120.079 119.600 -0.095 0.000 2.460 299 M HA 0.085 4.566 4.480 0.001 0.000 0.263 299 M C 1.431 177.699 176.300 -0.052 0.000 1.071 299 M CA 0.418 55.672 55.300 -0.077 0.000 1.096 299 M CB -0.298 32.269 32.600 -0.054 0.000 1.408 299 M HN 0.428 nan 8.290 nan 0.000 0.463 300 S N -1.413 114.271 115.700 -0.026 0.000 2.621 300 S HA 0.340 4.811 4.470 0.001 0.000 0.302 300 S C 0.452 175.081 174.600 0.049 0.000 1.093 300 S CA -0.697 57.510 58.200 0.012 0.000 1.017 300 S CB 0.800 64.026 63.200 0.043 0.000 1.077 300 S HN 0.284 nan 8.310 nan 0.000 0.517 301 F N 1.286 121.231 119.950 -0.009 0.000 2.667 301 F HA 0.014 4.542 4.527 0.001 0.000 0.295 301 F C 1.317 177.111 175.800 -0.009 0.000 1.185 301 F CA 0.074 58.068 58.000 -0.010 0.000 1.479 301 F CB 0.132 39.127 39.000 -0.009 0.000 1.116 301 F HN 0.561 nan 8.300 nan 0.000 0.606 302 Q N 1.901 121.815 119.800 0.190 0.000 2.314 302 Q HA 0.153 4.494 4.340 0.001 0.000 0.258 302 Q C -2.032 174.027 176.000 0.100 0.000 0.954 302 Q CA -2.083 53.789 55.803 0.114 0.000 0.890 302 Q CB 0.504 29.283 28.738 0.070 0.000 1.210 302 Q HN -0.043 nan 8.270 nan 0.000 0.410 303 P HA 0.012 nan 4.420 nan 0.000 0.272 303 P C -0.818 176.519 177.300 0.063 0.000 1.240 303 P CA -0.310 62.832 63.100 0.070 0.000 0.791 303 P CB 0.555 32.286 31.700 0.052 0.000 0.978 304 V N 1.623 121.578 119.914 0.069 0.000 2.485 304 V HA 0.098 4.219 4.120 0.001 0.000 0.287 304 V C 0.720 176.868 176.094 0.090 0.000 1.022 304 V CA 0.790 63.140 62.300 0.083 0.000 1.067 304 V CB -0.323 31.564 31.823 0.107 0.000 0.967 304 V HN 0.566 nan 8.190 nan 0.000 0.479 305 T N 7.014 121.612 114.554 0.072 0.000 2.833 305 T HA 0.591 4.942 4.350 0.001 0.000 0.297 305 T C -0.504 174.218 174.700 0.038 0.000 1.015 305 T CA -0.294 61.843 62.100 0.060 0.000 0.963 305 T CB 0.698 69.587 68.868 0.035 0.000 0.955 305 T HN 0.303 nan 8.240 nan 0.000 0.449 306 I N 4.578 125.187 120.570 0.065 0.000 2.498 306 I HA 0.405 4.576 4.170 0.001 0.000 0.290 306 I C -2.366 173.746 176.117 -0.008 0.000 1.032 306 I CA -3.146 58.134 61.300 -0.034 0.000 1.073 306 I CB 1.505 39.486 38.000 -0.032 0.000 1.251 306 I HN 0.332 nan 8.210 nan 0.000 0.426 307 P HA 0.207 nan 4.420 nan 0.000 0.268 307 P C 1.013 178.314 177.300 0.001 0.000 1.204 307 P CA -0.006 63.072 63.100 -0.037 0.000 0.768 307 P CB 0.607 32.265 31.700 -0.069 0.000 0.842 308 T N 0.982 115.579 114.554 0.070 0.000 2.685 308 T HA -0.214 4.136 4.350 0.001 0.000 0.268 308 T C 1.805 176.508 174.700 0.004 0.000 1.034 308 T CA 2.262 64.424 62.100 0.104 0.000 1.149 308 T CB -0.695 68.193 68.868 0.033 0.000 0.860 308 T HN 0.656 nan 8.240 nan 0.000 0.449 309 S N 1.727 117.404 115.700 -0.038 0.000 2.400 309 S HA -0.041 4.430 4.470 0.001 0.000 0.232 309 S C 2.057 176.642 174.600 -0.026 0.000 1.025 309 S CA 0.862 59.035 58.200 -0.046 0.000 0.993 309 S CB -0.806 62.503 63.200 0.181 0.000 0.808 309 S HN 0.475 nan 8.310 nan 0.000 0.478 310 L N -0.571 120.597 121.223 -0.093 0.000 2.027 310 L HA -0.076 4.265 4.340 0.001 0.000 0.206 310 L C 2.657 179.502 176.870 -0.042 0.000 1.074 310 L CA 1.731 56.478 54.840 -0.156 0.000 0.745 310 L CB -0.865 40.907 42.059 -0.479 0.000 0.898 310 L HN 0.291 nan 8.230 nan 0.000 0.433 311 Y N 0.213 120.562 120.300 0.082 0.000 2.097 311 Y HA -0.278 4.273 4.550 0.001 0.000 0.282 311 Y C 2.558 178.449 175.900 -0.017 0.000 1.152 311 Y CA 1.404 59.557 58.100 0.088 0.000 1.136 311 Y CB -0.238 38.252 38.460 0.050 0.000 0.975 311 Y HN 0.043 nan 8.280 nan 0.000 0.498 312 I N -1.538 119.026 120.570 -0.011 0.000 2.193 312 I HA -0.252 3.919 4.170 0.001 0.000 0.240 312 I C 1.667 177.710 176.117 -0.123 0.000 1.084 312 I CA 1.492 62.658 61.300 -0.222 0.000 1.365 312 I CB -0.376 37.243 38.000 -0.634 0.000 1.064 312 I HN 0.151 nan 8.210 nan 0.000 0.410 313 F N 0.327 120.321 119.950 0.074 0.000 2.619 313 F HA 0.083 4.611 4.527 0.001 0.000 0.293 313 F C 1.892 177.718 175.800 0.043 0.000 1.119 313 F CA 0.081 58.108 58.000 0.045 0.000 1.445 313 F CB 0.181 39.196 39.000 0.024 0.000 1.119 313 F HN -0.144 nan 8.300 nan 0.000 0.573 314 K N -0.098 120.422 120.400 0.201 0.000 2.374 314 K HA 0.093 4.414 4.320 0.001 0.000 0.202 314 K C -0.042 176.648 176.600 0.149 0.000 1.040 314 K CA -0.040 56.334 56.287 0.145 0.000 1.085 314 K CB -0.285 32.273 32.500 0.096 0.000 0.873 314 K HN 0.006 nan 8.250 nan 0.000 0.539 315 N N 1.234 120.028 118.700 0.157 0.000 2.727 315 N HA -0.240 4.501 4.740 0.001 0.000 0.249 315 N C -0.768 174.848 175.510 0.176 0.000 1.048 315 N CA 0.113 53.253 53.050 0.150 0.000 0.714 315 N CB -1.733 36.819 38.487 0.108 0.000 0.959 315 N HN 0.250 nan 8.380 nan 0.000 0.544 316 F N 0.434 120.403 119.950 0.031 0.000 2.418 316 F HA 0.483 5.010 4.527 0.001 0.000 0.341 316 F C 0.565 176.421 175.800 0.093 0.000 1.120 316 F CA 0.211 58.203 58.000 -0.014 0.000 1.232 316 F CB 0.827 39.712 39.000 -0.192 0.000 1.175 316 F HN 0.073 nan 8.300 nan 0.000 0.569 317 T N 4.246 118.377 114.554 -0.705 0.000 2.861 317 T HA 0.388 4.739 4.350 0.001 0.000 0.287 317 T C -1.149 173.037 174.700 -0.856 0.000 1.003 317 T CA -0.704 61.098 62.100 -0.496 0.000 0.977 317 T CB 1.425 70.165 68.868 -0.213 0.000 0.996 317 T HN 0.590 nan 8.240 nan 0.000 0.448 318 S N 1.471 116.949 115.700 -0.370 0.000 2.552 318 S HA 0.821 5.292 4.470 0.001 0.000 0.314 318 S C -0.632 173.948 174.600 -0.033 0.000 1.099 318 S CA -0.443 57.648 58.200 -0.182 0.000 1.070 318 S CB 0.450 63.732 63.200 0.137 0.000 0.998 318 S HN 0.985 nan 8.310 nan 0.000 0.474 319 A N 3.411 126.218 122.820 -0.022 0.000 2.530 319 A HA 0.968 5.289 4.320 0.001 0.000 0.288 319 A C 0.133 177.743 177.584 0.043 0.000 1.172 319 A CA -0.514 51.531 52.037 0.013 0.000 0.733 319 A CB 0.984 19.985 19.000 0.003 0.000 1.320 319 A HN 1.021 nan 8.150 nan 0.000 0.419 320 G N -1.362 107.478 108.800 0.067 0.000 2.491 320 G HA2 0.627 4.588 3.960 0.001 0.000 0.327 320 G HA3 0.627 4.588 3.960 0.001 0.000 0.327 320 G C -1.457 173.547 174.900 0.173 0.000 1.189 320 G CA -0.418 44.749 45.100 0.112 0.000 0.956 320 G HN 1.026 nan 8.290 nan 0.000 0.491 321 F N 0.165 120.169 119.950 0.090 0.000 2.574 321 F HA 0.636 5.164 4.527 0.001 0.000 0.313 321 F C -2.175 173.806 175.800 0.302 0.000 1.130 321 F CA -1.333 56.749 58.000 0.136 0.000 0.936 321 F CB 2.131 41.161 39.000 0.051 0.000 1.219 321 F HN 0.476 nan 8.300 nan 0.000 0.445 322 W N 7.758 128.629 121.300 -0.715 0.000 2.740 322 W HA 0.357 5.017 4.660 0.001 0.000 0.316 322 W C -0.508 175.646 176.519 -0.608 0.000 1.020 322 W CA -1.261 55.828 57.345 -0.427 0.000 1.278 322 W CB 1.095 30.443 29.460 -0.186 0.000 1.224 322 W HN 0.471 nan 8.180 nan 0.000 0.393 323 V N 4.690 124.394 119.914 -0.351 0.000 2.490 323 V HA -0.228 3.893 4.120 0.001 0.000 0.250 323 V C 1.795 177.686 176.094 -0.339 0.000 1.061 323 V CA 3.251 65.369 62.300 -0.303 0.000 1.064 323 V CB -0.242 31.669 31.823 0.147 0.000 0.670 323 V HN 0.655 nan 8.190 nan 0.000 0.461 324 T N -0.149 114.090 114.554 -0.525 0.000 2.708 324 T HA -0.200 4.151 4.350 0.001 0.000 0.266 324 T C 1.809 176.069 174.700 -0.732 0.000 1.037 324 T CA 1.920 63.641 62.100 -0.632 0.000 1.146 324 T CB -0.219 68.171 68.868 -0.796 0.000 0.865 324 T HN 0.577 nan 8.240 nan 0.000 0.435 325 E N 0.833 120.405 120.200 -1.046 0.000 2.107 325 E HA -0.029 4.322 4.350 0.001 0.000 0.191 325 E C 1.956 178.358 176.600 -0.331 0.000 0.982 325 E CA 0.517 56.537 56.400 -0.632 0.000 0.809 325 E CB -0.532 28.892 29.700 -0.459 0.000 0.756 325 E HN 0.317 nan 8.360 nan 0.000 0.459 326 L N 0.010 121.042 121.223 -0.317 0.000 2.083 326 L HA -0.025 4.316 4.340 0.001 0.000 0.209 326 L C 1.752 178.527 176.870 -0.158 0.000 1.083 326 L CA 1.647 56.372 54.840 -0.192 0.000 0.752 326 L CB -0.166 41.769 42.059 -0.208 0.000 0.899 326 L HN 0.239 nan 8.230 nan 0.000 0.433 327 L N -1.089 120.026 121.223 -0.180 0.000 2.592 327 L HA 0.021 4.362 4.340 0.001 0.000 0.227 327 L C 2.214 179.018 176.870 -0.109 0.000 1.127 327 L CA 0.064 54.828 54.840 -0.126 0.000 0.884 327 L CB -0.404 41.591 42.059 -0.107 0.000 1.065 327 L HN 0.280 nan 8.230 nan 0.000 0.457 328 K N 1.102 121.420 120.400 -0.137 0.000 2.044 328 K HA -0.145 4.176 4.320 0.001 0.000 0.210 328 K C 0.584 177.148 176.600 -0.061 0.000 1.049 328 K CA 1.406 57.628 56.287 -0.108 0.000 0.927 328 K CB 0.216 32.630 32.500 -0.143 0.000 0.713 328 K HN 0.292 nan 8.250 nan 0.000 0.443 329 N N 0.792 119.457 118.700 -0.059 0.000 2.541 329 N HA 0.056 4.797 4.740 0.001 0.000 0.297 329 N C -0.940 174.550 175.510 -0.033 0.000 1.503 329 N CA 0.008 53.035 53.050 -0.037 0.000 0.919 329 N CB 1.005 39.472 38.487 -0.034 0.000 1.305 329 N HN 0.092 nan 8.380 nan 0.000 0.501 330 N N 0.459 119.134 118.700 -0.041 0.000 2.636 330 N HA 0.089 4.829 4.740 0.001 0.000 0.287 330 N C 0.813 176.295 175.510 -0.046 0.000 1.817 330 N CA -0.076 52.949 53.050 -0.042 0.000 0.842 330 N CB 0.830 39.282 38.487 -0.058 0.000 1.353 330 N HN 0.113 nan 8.380 nan 0.000 0.500 331 K N 0.373 120.752 120.400 -0.036 0.000 2.148 331 K HA -0.074 4.247 4.320 0.001 0.000 0.204 331 K C 1.444 178.018 176.600 -0.045 0.000 1.050 331 K CA 0.997 57.259 56.287 -0.041 0.000 0.942 331 K CB 0.369 32.852 32.500 -0.029 0.000 0.724 331 K HN 0.362 nan 8.250 nan 0.000 0.446 332 E N 0.558 120.736 120.200 -0.036 0.000 2.077 332 E HA -0.217 4.134 4.350 0.001 0.000 0.193 332 E C 2.012 178.586 176.600 -0.044 0.000 0.989 332 E CA 0.923 57.302 56.400 -0.036 0.000 0.800 332 E CB -0.022 29.664 29.700 -0.024 0.000 0.746 332 E HN 0.185 nan 8.360 nan 0.000 0.452 333 L N 1.563 122.760 121.223 -0.043 0.000 2.093 333 L HA -0.115 4.226 4.340 0.001 0.000 0.208 333 L C 2.329 179.158 176.870 -0.068 0.000 1.085 333 L CA 1.955 56.764 54.840 -0.051 0.000 0.755 333 L CB -0.525 41.492 42.059 -0.069 0.000 0.904 333 L HN 0.025 nan 8.230 nan 0.000 0.435 334 K N -1.350 119.008 120.400 -0.069 0.000 2.026 334 K HA -0.174 4.147 4.320 0.001 0.000 0.208 334 K C 1.896 178.444 176.600 -0.087 0.000 1.048 334 K CA 2.062 58.305 56.287 -0.073 0.000 0.929 334 K CB -0.292 32.164 32.500 -0.072 0.000 0.713 334 K HN 0.355 nan 8.250 nan 0.000 0.439 335 T N -0.003 114.503 114.554 -0.081 0.000 2.708 335 T HA -0.138 4.213 4.350 0.001 0.000 0.266 335 T C 1.958 176.592 174.700 -0.111 0.000 1.037 335 T CA 1.594 63.643 62.100 -0.085 0.000 1.146 335 T CB -0.350 68.477 68.868 -0.068 0.000 0.865 335 T HN 0.297 nan 8.240 nan 0.000 0.435 336 S N 0.138 115.772 115.700 -0.110 0.000 2.382 336 S HA -0.143 4.328 4.470 0.001 0.000 0.228 336 S C 2.179 176.637 174.600 -0.236 0.000 1.027 336 S CA 1.811 59.926 58.200 -0.141 0.000 0.991 336 S CB -0.606 62.535 63.200 -0.097 0.000 0.823 336 S HN 0.549 nan 8.310 nan 0.000 0.469 337 T N 2.421 116.836 114.554 -0.231 0.000 2.732 337 T HA 0.011 4.362 4.350 0.001 0.000 0.261 337 T C 1.701 176.181 174.700 -0.367 0.000 1.040 337 T CA 1.230 63.105 62.100 -0.375 0.000 1.145 337 T CB -0.563 68.181 68.868 -0.208 0.000 0.866 337 T HN 0.295 nan 8.240 nan 0.000 0.427 338 L N 2.303 123.397 121.223 -0.215 0.000 2.043 338 L HA -0.149 4.191 4.340 0.001 0.000 0.212 338 L C 1.928 178.694 176.870 -0.174 0.000 1.075 338 L CA 1.762 56.507 54.840 -0.158 0.000 0.752 338 L CB -0.896 41.106 42.059 -0.094 0.000 0.891 338 L HN 0.123 nan 8.230 nan 0.000 0.432 339 N N -0.634 117.952 118.700 -0.191 0.000 2.166 339 N HA -0.229 4.512 4.740 0.001 0.000 0.186 339 N C 1.845 177.186 175.510 -0.281 0.000 1.019 339 N CA 1.371 54.311 53.050 -0.185 0.000 0.856 339 N CB -0.309 38.080 38.487 -0.162 0.000 0.993 339 N HN 0.486 nan 8.380 nan 0.000 0.426 340 Q N 0.640 120.173 119.800 -0.445 0.000 2.084 340 Q HA 0.007 4.348 4.340 0.001 0.000 0.202 340 Q C 1.755 177.328 176.000 -0.711 0.000 0.978 340 Q CA 1.051 56.411 55.803 -0.739 0.000 0.844 340 Q CB -0.166 27.953 28.738 -1.031 0.000 0.898 340 Q HN 0.226 nan 8.270 nan 0.000 0.426 341 I N 0.201 120.507 120.570 -0.440 0.000 2.179 341 I HA -0.231 3.940 4.170 0.001 0.000 0.242 341 I C 2.273 178.365 176.117 -0.041 0.000 1.088 341 I CA 1.148 62.332 61.300 -0.194 0.000 1.357 341 I CB -1.164 36.749 38.000 -0.144 0.000 1.051 341 I HN 0.283 nan 8.210 nan 0.000 0.409 342 I N 1.101 121.671 120.570 0.001 0.000 2.163 342 I HA -0.310 3.861 4.170 0.001 0.000 0.243 342 I C 2.759 178.934 176.117 0.096 0.000 1.085 342 I CA 1.609 62.978 61.300 0.116 0.000 1.347 342 I CB -0.435 37.591 38.000 0.044 0.000 1.044 342 I HN 0.146 nan 8.210 nan 0.000 0.408 343 A N 0.169 122.968 122.820 -0.036 0.000 1.908 343 A HA -0.232 4.089 4.320 0.001 0.000 0.218 343 A C 2.084 179.733 177.584 0.109 0.000 1.181 343 A CA 1.440 53.461 52.037 -0.027 0.000 0.627 343 A CB -0.959 17.942 19.000 -0.165 0.000 0.818 343 A HN 0.541 nan 8.150 nan 0.000 0.445 344 W N -1.012 120.263 121.300 -0.041 0.000 2.363 344 W HA -0.095 4.566 4.660 0.001 0.000 0.296 344 W C 2.165 178.679 176.519 -0.008 0.000 1.212 344 W CA 0.717 58.025 57.345 -0.063 0.000 1.260 344 W CB -1.279 28.094 29.460 -0.144 0.000 1.131 344 W HN 0.575 nan 8.180 nan 0.000 0.530 345 Y N 0.342 120.789 120.300 0.245 0.000 2.163 345 Y HA -0.211 4.340 4.550 0.001 0.000 0.288 345 Y C 2.456 178.422 175.900 0.110 0.000 1.136 345 Y CA 1.435 59.630 58.100 0.158 0.000 1.147 345 Y CB -0.370 38.170 38.460 0.134 0.000 0.987 345 Y HN -0.040 nan 8.280 nan 0.000 0.509 346 E N 0.085 120.439 120.200 0.257 0.000 2.153 346 E HA -0.215 4.136 4.350 0.001 0.000 0.194 346 E C 1.590 178.264 176.600 0.123 0.000 0.988 346 E CA 1.257 57.743 56.400 0.144 0.000 0.811 346 E CB -0.093 29.661 29.700 0.090 0.000 0.746 346 E HN 0.596 nan 8.360 nan 0.000 0.466 347 E N -0.751 119.538 120.200 0.149 0.000 2.435 347 E HA 0.022 4.373 4.350 0.001 0.000 0.195 347 E C 0.982 177.645 176.600 0.105 0.000 1.029 347 E CA 0.331 56.805 56.400 0.123 0.000 0.865 347 E CB 0.460 30.254 29.700 0.157 0.000 0.833 347 E HN 0.351 nan 8.360 nan 0.000 0.510 348 G N 1.614 110.490 108.800 0.127 0.000 2.136 348 G HA2 -0.345 3.615 3.960 0.001 0.000 0.242 348 G HA3 -0.345 3.615 3.960 0.001 0.000 0.242 348 G C 0.810 175.743 174.900 0.054 0.000 0.989 348 G CA 0.668 45.827 45.100 0.099 0.000 0.682 348 G HN 0.237 nan 8.290 nan 0.000 0.522 349 K N -1.339 119.082 120.400 0.035 0.000 2.356 349 K HA 0.451 4.772 4.320 0.001 0.000 0.195 349 K C 0.621 177.112 176.600 -0.181 0.000 1.037 349 K CA 0.259 56.485 56.287 -0.102 0.000 1.014 349 K CB 0.494 32.883 32.500 -0.185 0.000 0.815 349 K HN 0.353 nan 8.250 nan 0.000 0.507 350 L N -0.152 121.026 121.223 -0.075 0.000 2.381 350 L HA 0.381 4.722 4.340 0.001 0.000 0.268 350 L C -0.710 176.217 176.870 0.095 0.000 0.997 350 L CA -0.237 54.538 54.840 -0.108 0.000 0.818 350 L CB 2.299 44.200 42.059 -0.264 0.000 1.310 350 L HN -0.232 nan 8.230 nan 0.000 0.416 351 T N 1.031 115.673 114.554 0.146 0.000 2.926 351 T HA 0.518 4.869 4.350 0.001 0.000 0.289 351 T C -1.498 173.435 174.700 0.390 0.000 1.054 351 T CA -0.696 61.589 62.100 0.308 0.000 1.015 351 T CB 0.925 69.880 68.868 0.145 0.000 1.167 351 T HN 0.753 nan 8.240 nan 0.000 0.526 352 D N 1.518 122.161 120.400 0.406 0.000 2.255 352 D HA 0.414 5.055 4.640 0.001 0.000 0.249 352 D C -0.072 176.259 176.300 0.051 0.000 1.078 352 D CA -0.587 53.634 54.000 0.367 0.000 0.896 352 D CB 1.119 42.110 40.800 0.319 0.000 1.194 352 D HN 0.666 nan 8.370 nan 0.000 0.429 353 A N 3.035 125.754 122.820 -0.169 0.000 2.505 353 A HA 0.066 4.386 4.320 0.001 0.000 0.271 353 A C 0.532 178.120 177.584 0.007 0.000 1.112 353 A CA -0.308 51.620 52.037 -0.181 0.000 0.781 353 A CB -0.105 18.718 19.000 -0.295 0.000 1.059 353 A HN 0.346 nan 8.150 nan 0.000 0.508 354 K N 2.179 122.579 120.400 0.000 0.000 2.326 354 K HA 0.290 4.611 4.320 0.001 0.000 0.275 354 K C 0.068 176.682 176.600 0.023 0.000 1.018 354 K CA 0.200 56.499 56.287 0.021 0.000 0.962 354 K CB 0.853 33.358 32.500 0.008 0.000 0.953 354 K HN 0.594 nan 8.250 nan 0.000 0.475 355 S N 1.750 117.464 115.700 0.023 0.000 2.549 355 S HA 0.455 4.926 4.470 0.001 0.000 0.297 355 S C 0.342 174.935 174.600 -0.012 0.000 1.115 355 S CA -0.793 57.414 58.200 0.011 0.000 1.059 355 S CB 0.926 64.134 63.200 0.014 0.000 1.046 355 S HN 0.357 nan 8.310 nan 0.000 0.506 356 I N 2.751 123.307 120.570 -0.023 0.000 2.436 356 I HA 0.109 4.280 4.170 0.001 0.000 0.289 356 I C 0.466 176.543 176.117 -0.067 0.000 1.083 356 I CA 0.267 61.542 61.300 -0.042 0.000 1.372 356 I CB 0.291 38.265 38.000 -0.043 0.000 1.408 356 I HN 0.526 nan 8.210 nan 0.000 0.516 357 E N 5.129 125.286 120.200 -0.072 0.000 2.197 357 E HA 0.351 4.702 4.350 0.001 0.000 0.281 357 E C -0.724 175.800 176.600 -0.125 0.000 0.995 357 E CA -0.473 55.868 56.400 -0.098 0.000 0.808 357 E CB 1.396 31.049 29.700 -0.078 0.000 1.093 357 E HN 0.450 nan 8.360 nan 0.000 0.394 358 T N 3.214 117.660 114.554 -0.180 0.000 2.791 358 T HA 0.235 4.586 4.350 0.001 0.000 0.288 358 T C -0.582 173.974 174.700 -0.239 0.000 0.999 358 T CA -0.678 61.300 62.100 -0.202 0.000 0.952 358 T CB 0.604 69.327 68.868 -0.241 0.000 0.938 358 T HN 0.181 nan 8.240 nan 0.000 0.444 359 L N 4.755 125.866 121.223 -0.186 0.000 2.290 359 L HA 0.452 4.792 4.340 0.001 0.000 0.284 359 L C -0.640 176.123 176.870 -0.178 0.000 1.078 359 L CA -0.707 54.023 54.840 -0.185 0.000 0.815 359 L CB 0.053 42.036 42.059 -0.127 0.000 1.162 359 L HN 0.642 nan 8.230 nan 0.000 0.435 360 Y N 4.778 124.851 120.300 -0.378 0.000 2.359 360 Y HA 0.327 4.878 4.550 0.001 0.000 0.334 360 Y C 0.321 176.133 175.900 -0.148 0.000 1.058 360 Y CA -0.184 57.737 58.100 -0.300 0.000 1.244 360 Y CB 0.754 38.957 38.460 -0.429 0.000 1.187 360 Y HN 0.833 nan 8.280 nan 0.000 0.510 361 D N 2.079 122.054 120.400 -0.708 0.000 2.525 361 D HA 0.212 4.852 4.640 0.001 0.000 0.231 361 D C 1.296 177.211 176.300 -0.641 0.000 1.216 361 D CA 0.373 54.041 54.000 -0.553 0.000 0.813 361 D CB 0.200 40.839 40.800 -0.269 0.000 1.108 361 D HN 0.847 nan 8.370 nan 0.000 0.524 362 G N 0.302 108.476 108.800 -1.043 0.000 2.213 362 G HA2 -0.348 3.613 3.960 0.001 0.000 0.236 362 G HA3 -0.348 3.613 3.960 0.001 0.000 0.236 362 G C 1.249 176.036 174.900 -0.189 0.000 0.991 362 G CA 0.879 45.674 45.100 -0.509 0.000 0.629 362 G HN 0.664 nan 8.290 nan 0.000 0.517 363 T N -2.151 112.292 114.554 -0.184 0.000 3.009 363 T HA 0.340 4.691 4.350 0.001 0.000 0.258 363 T C 0.937 175.614 174.700 -0.038 0.000 1.063 363 T CA 1.528 63.578 62.100 -0.083 0.000 1.139 363 T CB 0.407 69.223 68.868 -0.085 0.000 0.890 363 T HN 0.516 nan 8.240 nan 0.000 0.471 364 K N 2.177 122.556 120.400 -0.036 0.000 2.292 364 K HA 0.523 4.844 4.320 0.001 0.000 0.257 364 K C -3.030 173.624 176.600 0.091 0.000 0.940 364 K CA -2.718 53.571 56.287 0.002 0.000 0.811 364 K CB 1.516 33.995 32.500 -0.035 0.000 1.120 364 K HN -0.041 nan 8.250 nan 0.000 0.428 365 P HA -0.116 nan 4.420 nan 0.000 0.264 365 P C 0.427 177.762 177.300 0.058 0.000 1.183 365 P CA -0.132 63.038 63.100 0.116 0.000 0.763 365 P CB 0.484 32.213 31.700 0.047 0.000 0.807 366 L N 4.427 125.729 121.223 0.131 0.000 2.042 366 L HA -0.225 4.116 4.340 0.001 0.000 0.210 366 L C 2.439 179.370 176.870 0.101 0.000 1.076 366 L CA 1.895 56.728 54.840 -0.011 0.000 0.749 366 L CB -1.286 40.661 42.059 -0.186 0.000 0.893 366 L HN 0.574 nan 8.230 nan 0.000 0.432 367 H N -1.360 117.791 119.070 0.135 0.000 2.457 367 H HA -0.161 4.396 4.556 0.001 0.000 0.297 367 H C 1.732 177.140 175.328 0.132 0.000 1.092 367 H CA 1.700 57.845 56.048 0.162 0.000 1.309 367 H CB -0.358 29.480 29.762 0.128 0.000 1.382 367 H HN 0.553 nan 8.280 nan 0.000 0.535 368 E N 0.303 120.222 120.200 -0.469 0.000 2.152 368 E HA -0.049 4.302 4.350 0.001 0.000 0.192 368 E C 2.343 178.847 176.600 -0.160 0.000 0.983 368 E CA 0.602 56.826 56.400 -0.295 0.000 0.818 368 E CB 0.160 29.658 29.700 -0.336 0.000 0.758 368 E HN 0.257 nan 8.360 nan 0.000 0.467 369 L N -0.227 120.886 121.223 -0.182 0.000 2.042 369 L HA -0.215 4.126 4.340 0.001 0.000 0.210 369 L C 1.987 178.635 176.870 -0.370 0.000 1.076 369 L CA 1.676 56.346 54.840 -0.282 0.000 0.749 369 L CB -0.531 41.302 42.059 -0.377 0.000 0.893 369 L HN 0.198 nan 8.230 nan 0.000 0.432 370 Y N -0.879 119.261 120.300 -0.267 0.000 2.263 370 Y HA -0.212 4.338 4.550 0.001 0.000 0.292 370 Y C 2.702 178.471 175.900 -0.219 0.000 1.130 370 Y CA 1.101 58.953 58.100 -0.413 0.000 1.179 370 Y CB -0.227 37.853 38.460 -0.632 0.000 0.998 370 Y HN 0.212 nan 8.280 nan 0.000 0.532 371 Q N 0.051 119.882 119.800 0.052 0.000 2.096 371 Q HA -0.220 4.121 4.340 0.001 0.000 0.204 371 Q C 1.577 177.580 176.000 0.005 0.000 0.982 371 Q CA 1.695 57.538 55.803 0.066 0.000 0.850 371 Q CB -0.134 28.661 28.738 0.095 0.000 0.901 371 Q HN 0.454 nan 8.270 nan 0.000 0.422 372 D N -0.412 119.959 120.400 -0.049 0.000 2.117 372 D HA -0.120 4.521 4.640 0.001 0.000 0.197 372 D C 1.820 178.075 176.300 -0.074 0.000 0.987 372 D CA 1.396 55.357 54.000 -0.064 0.000 0.829 372 D CB -0.549 40.194 40.800 -0.094 0.000 0.961 372 D HN 0.389 nan 8.370 nan 0.000 0.460 373 G N 0.590 109.317 108.800 -0.121 0.000 2.418 373 G HA2 -0.207 3.754 3.960 0.001 0.000 0.217 373 G HA3 -0.207 3.754 3.960 0.001 0.000 0.217 373 G C 1.864 176.741 174.900 -0.039 0.000 1.158 373 G CA 0.743 45.772 45.100 -0.119 0.000 0.771 373 G HN 0.242 nan 8.290 nan 0.000 0.545 374 V N 1.435 121.348 119.914 -0.000 0.000 2.343 374 V HA -0.113 4.008 4.120 0.001 0.000 0.247 374 V C 3.284 179.397 176.094 0.032 0.000 1.051 374 V CA 2.020 64.353 62.300 0.054 0.000 1.036 374 V CB -0.711 31.174 31.823 0.103 0.000 0.654 374 V HN 0.467 nan 8.190 nan 0.000 0.451 375 A N -0.042 122.788 122.820 0.017 0.000 2.014 375 A HA -0.146 4.175 4.320 0.001 0.000 0.218 375 A C 1.745 179.330 177.584 0.002 0.000 1.163 375 A CA 1.668 53.713 52.037 0.012 0.000 0.652 375 A CB -0.630 18.375 19.000 0.009 0.000 0.808 375 A HN 0.704 nan 8.150 nan 0.000 0.449 376 N N -0.059 118.635 118.700 -0.009 0.000 2.276 376 N HA 0.019 4.760 4.740 0.001 0.000 0.212 376 N C 1.398 176.905 175.510 -0.006 0.000 1.127 376 N CA 0.409 53.450 53.050 -0.014 0.000 0.834 376 N CB 0.283 38.752 38.487 -0.031 0.000 1.014 376 N HN 0.551 nan 8.380 nan 0.000 0.491 377 S N 1.464 117.168 115.700 0.007 0.000 2.380 377 S HA -0.260 4.211 4.470 0.001 0.000 0.229 377 S C 1.690 176.299 174.600 0.015 0.000 1.043 377 S CA 1.053 59.264 58.200 0.018 0.000 1.038 377 S CB -0.218 62.999 63.200 0.028 0.000 0.872 377 S HN 0.282 nan 8.310 nan 0.000 0.456 378 K N 1.196 121.602 120.400 0.010 0.000 2.152 378 K HA -0.083 4.238 4.320 0.001 0.000 0.206 378 K C 1.611 178.214 176.600 0.006 0.000 1.048 378 K CA 1.449 57.741 56.287 0.009 0.000 0.933 378 K CB -0.300 32.204 32.500 0.006 0.000 0.721 378 K HN 0.411 nan 8.250 nan 0.000 0.447 379 D N -0.194 120.206 120.400 0.001 0.000 2.219 379 D HA -0.009 4.632 4.640 0.001 0.000 0.205 379 D C 0.996 177.296 176.300 -0.000 0.000 0.970 379 D CA 1.172 55.170 54.000 -0.003 0.000 0.851 379 D CB 0.199 40.992 40.800 -0.011 0.000 0.943 379 D HN 0.358 nan 8.370 nan 0.000 0.488 380 G N -0.232 108.572 108.800 0.006 0.000 2.351 380 G HA2 -0.017 3.944 3.960 0.001 0.000 0.353 380 G HA3 -0.017 3.944 3.960 0.001 0.000 0.353 380 G C -1.154 173.757 174.900 0.018 0.000 1.358 380 G CA -0.923 44.185 45.100 0.013 0.000 0.995 380 G HN 0.078 nan 8.290 nan 0.000 0.611 381 K N 0.610 121.029 120.400 0.032 0.000 2.530 381 K HA 0.225 4.546 4.320 0.001 0.000 0.280 381 K C 0.180 176.792 176.600 0.021 0.000 1.004 381 K CA 0.733 57.047 56.287 0.046 0.000 1.071 381 K CB 0.293 32.835 32.500 0.070 0.000 0.876 381 K HN 0.430 nan 8.250 nan 0.000 0.487 382 Q N 3.556 123.365 119.800 0.015 0.000 2.312 382 Q HA 0.383 4.724 4.340 0.001 0.000 0.263 382 Q C -1.155 174.822 176.000 -0.038 0.000 0.995 382 Q CA -1.010 54.773 55.803 -0.032 0.000 0.853 382 Q CB 1.880 30.581 28.738 -0.062 0.000 1.300 382 Q HN 0.522 nan 8.270 nan 0.000 0.448 383 L N 3.363 124.538 121.223 -0.079 0.000 2.372 383 L HA 0.424 4.765 4.340 0.001 0.000 0.274 383 L C -1.383 175.370 176.870 -0.194 0.000 0.988 383 L CA -0.612 54.177 54.840 -0.086 0.000 0.833 383 L CB 1.194 43.227 42.059 -0.044 0.000 1.236 383 L HN 0.431 nan 8.230 nan 0.000 0.410 384 I N 4.247 124.642 120.570 -0.291 0.000 2.352 384 I HA 0.410 4.581 4.170 0.001 0.000 0.290 384 I C 0.772 176.688 176.117 -0.334 0.000 1.036 384 I CA 0.082 61.093 61.300 -0.481 0.000 1.336 384 I CB 1.261 38.668 38.000 -0.988 0.000 1.407 384 I HN 0.756 nan 8.210 nan 0.000 0.497 385 T N 3.357 117.695 114.554 -0.360 0.000 2.948 385 T HA 0.768 5.118 4.350 0.001 0.000 0.285 385 T C -0.540 173.939 174.700 -0.370 0.000 1.019 385 T CA -0.557 61.418 62.100 -0.208 0.000 1.013 385 T CB 1.534 70.331 68.868 -0.119 0.000 1.117 385 T HN 0.271 nan 8.240 nan 0.000 0.533 386 Y N 0.000 120.272 120.300 -0.046 0.000 2.660 386 Y HA 0.000 4.551 4.550 0.001 0.000 0.201 386 Y CA 0.000 58.108 58.100 0.013 0.000 1.940 386 Y CB 0.000 38.455 38.460 -0.009 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758