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 1r1w_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIGRGHF GCVYHGTLLX DATA SEQUENCE XXXXKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKFLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFGLARDM YXXXXXXXXX XXXXXLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPXXXX XDITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHY DATA SEQUENCE VHVNATYVNV K 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 1050 T HA 0.000 nan 4.350 nan 0.000 0.228 1050 T C 0.000 174.712 174.700 0.020 0.000 1.109 1050 T CA 0.000 62.102 62.100 0.003 0.000 1.349 1050 T CB 0.000 68.868 68.868 -0.000 0.000 0.612 1051 V N 3.565 123.490 119.914 0.018 0.000 2.572 1051 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 1051 V C 0.764 176.898 176.094 0.066 0.000 1.039 1051 V CA -0.422 61.897 62.300 0.032 0.000 1.055 1051 V CB 0.408 32.233 31.823 0.003 0.000 0.969 1051 V HN 0.561 nan 8.190 nan 0.000 0.482 1052 H N 5.607 124.666 119.070 -0.017 0.000 2.610 1052 H HA 0.538 5.094 4.556 -0.000 0.000 0.336 1052 H C -0.794 174.524 175.328 -0.016 0.000 1.087 1052 H CA -0.579 55.459 56.048 -0.017 0.000 1.405 1052 H CB 1.323 31.077 29.762 -0.014 0.000 1.460 1052 H HN 0.626 nan 8.280 nan 0.000 0.538 1053 I N 4.815 125.093 120.570 -0.486 0.000 2.533 1053 I HA 0.130 4.300 4.170 -0.000 0.000 0.290 1053 I C -1.371 174.416 176.117 -0.550 0.000 1.056 1053 I CA -0.754 60.261 61.300 -0.475 0.000 1.057 1053 I CB 1.817 39.702 38.000 -0.193 0.000 1.240 1053 I HN 0.586 nan 8.210 nan 0.000 0.423 1054 D N 7.179 127.314 120.400 -0.443 0.000 2.392 1054 D HA 0.283 4.923 4.640 -0.000 0.000 0.228 1054 D C 0.649 176.891 176.300 -0.098 0.000 1.074 1054 D CA -0.242 53.641 54.000 -0.195 0.000 0.838 1054 D CB 1.464 42.197 40.800 -0.112 0.000 1.067 1054 D HN 0.589 nan 8.370 nan 0.000 0.511 1055 L N 2.595 123.787 121.223 -0.052 0.000 2.465 1055 L HA -0.073 4.267 4.340 -0.000 0.000 0.224 1055 L C 2.157 179.020 176.870 -0.012 0.000 1.145 1055 L CA 0.508 55.331 54.840 -0.029 0.000 0.834 1055 L CB -0.302 41.750 42.059 -0.012 0.000 0.944 1055 L HN 0.369 nan 8.230 nan 0.000 0.451 1056 S N -0.118 115.577 115.700 -0.008 0.000 2.555 1056 S HA -0.032 4.438 4.470 -0.000 0.000 0.230 1056 S C 1.915 176.513 174.600 -0.003 0.000 0.978 1056 S CA 0.572 58.772 58.200 0.001 0.000 0.934 1056 S CB -0.131 63.073 63.200 0.008 0.000 0.766 1056 S HN 0.341 nan 8.310 nan 0.000 0.533 1057 A N 0.942 123.754 122.820 -0.014 0.000 2.206 1057 A HA 0.395 4.715 4.320 -0.000 0.000 0.211 1057 A C 0.884 178.464 177.584 -0.007 0.000 1.158 1057 A CA -0.081 51.948 52.037 -0.013 0.000 0.761 1057 A CB -0.494 18.491 19.000 -0.025 0.000 0.801 1057 A HN 0.573 nan 8.150 nan 0.000 0.473 1058 L N 0.720 121.941 121.223 -0.003 0.000 2.461 1058 L HA 0.027 4.367 4.340 -0.000 0.000 0.272 1058 L C 0.673 177.547 176.870 0.007 0.000 1.197 1058 L CA -0.491 54.352 54.840 0.005 0.000 0.836 1058 L CB 0.138 42.204 42.059 0.012 0.000 1.105 1058 L HN 0.282 nan 8.230 nan 0.000 0.477 1059 N N 3.553 122.259 118.700 0.010 0.000 2.452 1059 N HA 0.032 4.772 4.740 -0.000 0.000 0.266 1059 N C -1.773 173.744 175.510 0.012 0.000 1.209 1059 N CA -1.308 51.748 53.050 0.010 0.000 0.929 1059 N CB 1.345 39.838 38.487 0.010 0.000 1.063 1059 N HN 0.265 nan 8.380 nan 0.000 0.472 1060 P HA -0.143 nan 4.420 nan 0.000 0.217 1060 P C 0.568 177.877 177.300 0.015 0.000 1.148 1060 P CA 1.407 64.514 63.100 0.013 0.000 0.828 1060 P CB 0.350 32.056 31.700 0.011 0.000 0.783 1061 E N -1.052 119.157 120.200 0.014 0.000 2.072 1061 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 1061 E C 1.868 178.479 176.600 0.019 0.000 0.985 1061 E CA 0.659 57.068 56.400 0.015 0.000 0.801 1061 E CB -0.667 29.041 29.700 0.012 0.000 0.750 1061 E HN 0.128 nan 8.360 nan 0.000 0.452 1062 L N 0.846 122.080 121.223 0.019 0.000 2.046 1062 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 1062 L C 2.221 179.106 176.870 0.024 0.000 1.077 1062 L CA 1.362 56.214 54.840 0.021 0.000 0.747 1062 L CB -0.383 41.687 42.059 0.018 0.000 0.896 1062 L HN -0.055 nan 8.230 nan 0.000 0.432 1063 V N 0.262 120.190 119.914 0.023 0.000 2.392 1063 V HA -0.348 3.772 4.120 -0.000 0.000 0.249 1063 V C 2.631 178.743 176.094 0.031 0.000 1.059 1063 V CA 2.106 64.421 62.300 0.025 0.000 1.051 1063 V CB -0.860 30.976 31.823 0.022 0.000 0.658 1063 V HN 0.745 nan 8.190 nan 0.000 0.455 1064 Q N 0.553 120.372 119.800 0.031 0.000 2.079 1064 Q HA -0.158 4.182 4.340 -0.000 0.000 0.200 1064 Q C 2.160 178.195 176.000 0.058 0.000 0.974 1064 Q CA 1.931 57.756 55.803 0.037 0.000 0.840 1064 Q CB -0.332 28.421 28.738 0.025 0.000 0.898 1064 Q HN 0.553 nan 8.270 nan 0.000 0.430 1065 A N 0.608 123.462 122.820 0.057 0.000 2.019 1065 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 1065 A C 1.996 179.679 177.584 0.165 0.000 1.164 1065 A CA 1.328 53.416 52.037 0.085 0.000 0.644 1065 A CB -0.336 18.698 19.000 0.057 0.000 0.805 1065 A HN 0.329 nan 8.150 nan 0.000 0.449 1066 V N -0.577 119.390 119.914 0.089 0.000 3.647 1066 V HA -0.024 4.096 4.120 -0.000 0.000 0.279 1066 V C 1.931 178.014 176.094 -0.019 0.000 1.314 1066 V CA 0.685 62.987 62.300 0.003 0.000 1.125 1066 V CB -0.266 31.531 31.823 -0.044 0.000 0.907 1066 V HN 0.478 nan 8.190 nan 0.000 0.434 1067 Q N 0.799 120.649 119.800 0.083 0.000 2.135 1067 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 1067 Q C 2.078 178.113 176.000 0.058 0.000 0.981 1067 Q CA 2.140 57.980 55.803 0.061 0.000 0.856 1067 Q CB -0.582 28.200 28.738 0.074 0.000 0.902 1067 Q HN 0.997 nan 8.270 nan 0.000 0.425 1068 H N -1.083 117.981 119.070 -0.010 0.000 2.521 1068 H HA 0.021 4.577 4.556 -0.000 0.000 0.286 1068 H C 1.651 176.969 175.328 -0.017 0.000 1.034 1068 H CA 1.161 57.203 56.048 -0.010 0.000 1.278 1068 H CB -0.347 29.410 29.762 -0.008 0.000 1.386 1068 H HN 0.047 nan 8.280 nan 0.000 0.567 1069 V N 1.069 120.683 119.914 -0.499 0.000 3.052 1069 V HA 0.005 4.125 4.120 -0.000 0.000 0.254 1069 V C 1.283 177.273 176.094 -0.174 0.000 1.100 1069 V CA 0.214 62.291 62.300 -0.371 0.000 1.112 1069 V CB 0.068 31.625 31.823 -0.442 0.000 0.738 1069 V HN 0.069 nan 8.190 nan 0.000 0.469 1070 V N 2.176 122.022 119.914 -0.114 0.000 2.572 1070 V HA 0.184 4.304 4.120 -0.000 0.000 0.291 1070 V C 0.011 176.088 176.094 -0.028 0.000 1.039 1070 V CA 0.148 62.419 62.300 -0.049 0.000 1.055 1070 V CB 0.981 32.792 31.823 -0.019 0.000 0.969 1070 V HN 0.246 nan 8.190 nan 0.000 0.482 1071 I N 4.067 124.627 120.570 -0.017 0.000 2.336 1071 I HA 0.449 4.619 4.170 -0.000 0.000 0.292 1071 I C 1.086 177.203 176.117 0.000 0.000 0.991 1071 I CA -0.059 61.235 61.300 -0.009 0.000 1.227 1071 I CB 1.386 39.379 38.000 -0.012 0.000 1.366 1071 I HN 0.723 nan 8.210 nan 0.000 0.466 1072 G N 6.453 115.254 108.800 0.002 0.000 2.527 1072 G HA2 0.216 4.176 3.960 -0.000 0.000 0.248 1072 G HA3 0.216 4.176 3.960 -0.000 0.000 0.248 1072 G C -1.424 173.479 174.900 0.005 0.000 1.231 1072 G CA -0.874 44.229 45.100 0.006 0.000 0.838 1072 G HN 0.461 nan 8.290 nan 0.000 0.570 1073 P HA -0.090 nan 4.420 nan 0.000 0.218 1073 P C 1.663 178.966 177.300 0.005 0.000 1.148 1073 P CA 1.114 64.219 63.100 0.009 0.000 0.822 1073 P CB 0.213 31.922 31.700 0.014 0.000 0.784 1074 S N -0.465 115.238 115.700 0.005 0.000 2.515 1074 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 1074 S C 1.872 176.473 174.600 0.001 0.000 0.987 1074 S CA 0.833 59.035 58.200 0.005 0.000 0.936 1074 S CB -0.556 62.647 63.200 0.005 0.000 0.766 1074 S HN 0.211 nan 8.310 nan 0.000 0.528 1075 S N 0.537 116.236 115.700 -0.002 0.000 2.548 1075 S HA 0.300 4.770 4.470 -0.000 0.000 0.215 1075 S C 0.006 174.596 174.600 -0.016 0.000 0.976 1075 S CA -0.118 58.079 58.200 -0.006 0.000 0.908 1075 S CB 0.076 63.274 63.200 -0.004 0.000 0.781 1075 S HN 0.326 nan 8.310 nan 0.000 0.519 1076 L N 1.516 122.725 121.223 -0.024 0.000 2.409 1076 L HA 0.582 4.922 4.340 -0.000 0.000 0.272 1076 L C -1.536 175.291 176.870 -0.071 0.000 0.980 1076 L CA -0.492 54.317 54.840 -0.052 0.000 0.826 1076 L CB 1.308 43.337 42.059 -0.051 0.000 1.268 1076 L HN 0.003 nan 8.230 nan 0.000 0.407 1077 I N 5.876 126.374 120.570 -0.121 0.000 2.354 1077 I HA 0.355 4.525 4.170 -0.000 0.000 0.286 1077 I C -0.513 175.353 176.117 -0.419 0.000 1.007 1077 I CA -0.862 60.341 61.300 -0.162 0.000 1.167 1077 I CB 1.670 39.643 38.000 -0.045 0.000 1.320 1077 I HN 0.233 nan 8.210 nan 0.000 0.458 1078 V N 6.023 125.679 119.914 -0.429 0.000 2.455 1078 V HA 0.088 4.208 4.120 -0.000 0.000 0.273 1078 V C 0.124 175.754 176.094 -0.775 0.000 1.045 1078 V CA -0.419 61.431 62.300 -0.750 0.000 0.976 1078 V CB 0.077 31.247 31.823 -1.088 0.000 0.993 1078 V HN 0.614 nan 8.190 nan 0.000 0.475 1079 H N 5.390 124.223 119.070 -0.395 0.000 3.014 1079 H HA 0.230 4.786 4.556 -0.000 0.000 0.266 1079 H C 0.326 175.545 175.328 -0.181 0.000 1.455 1079 H CA -0.339 55.592 56.048 -0.194 0.000 1.402 1079 H CB 0.022 29.759 29.762 -0.043 0.000 1.626 1079 H HN 0.631 nan 8.280 nan 0.000 0.520 1080 F N 1.315 121.249 119.950 -0.026 0.000 2.293 1080 F HA -0.199 4.328 4.527 -0.000 0.000 0.300 1080 F C 2.304 178.189 175.800 0.141 0.000 1.086 1080 F CA 0.614 58.533 58.000 -0.135 0.000 1.375 1080 F CB 0.107 38.985 39.000 -0.203 0.000 1.045 1080 F HN 0.618 nan 8.300 nan 0.000 0.516 1081 N N 0.500 119.371 118.700 0.284 0.000 2.336 1081 N HA -0.069 4.671 4.740 -0.000 0.000 0.189 1081 N C -0.414 175.223 175.510 0.211 0.000 1.113 1081 N CA 0.380 53.563 53.050 0.221 0.000 0.858 1081 N CB -0.290 38.282 38.487 0.142 0.000 0.970 1081 N HN 0.315 nan 8.380 nan 0.000 0.471 1082 E N 1.003 121.366 120.200 0.271 0.000 2.546 1082 E HA 0.249 4.599 4.350 -0.000 0.000 0.227 1082 E C -0.984 175.842 176.600 0.377 0.000 1.009 1082 E CA -0.468 56.118 56.400 0.310 0.000 0.813 1082 E CB 1.591 31.477 29.700 0.309 0.000 1.269 1082 E HN -0.007 nan 8.360 nan 0.000 0.432 1083 V N 4.046 124.117 119.914 0.262 0.000 2.432 1083 V HA 0.093 4.213 4.120 -0.000 0.000 0.271 1083 V C 1.380 177.508 176.094 0.056 0.000 1.046 1083 V CA 0.131 62.500 62.300 0.115 0.000 0.945 1083 V CB 0.818 32.676 31.823 0.059 0.000 0.992 1083 V HN 0.681 nan 8.190 nan 0.000 0.471 1084 I N 3.319 123.848 120.570 -0.070 0.000 2.286 1084 I HA 0.203 4.373 4.170 -0.000 0.000 0.245 1084 I C 1.204 177.325 176.117 0.007 0.000 1.104 1084 I CA 1.325 62.586 61.300 -0.065 0.000 1.397 1084 I CB 0.016 37.913 38.000 -0.170 0.000 1.072 1084 I HN 0.777 nan 8.210 nan 0.000 0.417 1085 G N 0.380 109.183 108.800 0.004 0.000 2.556 1085 G HA2 0.607 4.567 3.960 -0.000 0.000 0.294 1085 G HA3 0.607 4.567 3.960 -0.000 0.000 0.294 1085 G C -1.627 173.349 174.900 0.127 0.000 1.516 1085 G CA -0.799 44.365 45.100 0.107 0.000 0.824 1085 G HN 0.184 nan 8.290 nan 0.000 0.535 1086 R N -0.496 120.059 120.500 0.091 0.000 2.739 1086 R HA 0.953 5.293 4.340 -0.000 0.000 0.271 1086 R C 0.202 176.301 176.300 -0.334 0.000 1.010 1086 R CA -0.013 55.955 56.100 -0.221 0.000 0.897 1086 R CB 1.496 31.674 30.300 -0.202 0.000 1.236 1086 R HN 2.048 nan 8.270 nan 0.000 0.466 1087 G N -0.144 108.190 108.800 -0.777 0.000 2.392 1087 G HA2 0.102 4.062 3.960 -0.000 0.000 0.260 1087 G HA3 0.102 4.062 3.960 -0.000 0.000 0.260 1087 G C -0.600 174.049 174.900 -0.419 0.000 1.226 1087 G CA -0.473 44.382 45.100 -0.409 0.000 0.913 1087 G HN 0.564 nan 8.290 nan 0.000 0.483 1088 H N 0.221 119.127 119.070 -0.275 0.000 2.491 1088 H HA 0.054 4.610 4.556 -0.000 0.000 0.290 1088 H C 2.279 177.525 175.328 -0.137 0.000 1.050 1088 H CA 2.017 57.975 56.048 -0.151 0.000 1.309 1088 H CB -0.340 29.403 29.762 -0.031 0.000 1.392 1088 H HN 0.385 nan 8.280 nan 0.000 0.554 1089 F N -1.558 118.434 119.950 0.070 0.000 2.502 1089 F HA 0.275 4.802 4.527 -0.000 0.000 0.298 1089 F C 1.451 177.244 175.800 -0.011 0.000 1.111 1089 F CA 0.547 58.551 58.000 0.008 0.000 1.445 1089 F CB -0.156 38.831 39.000 -0.022 0.000 1.081 1089 F HN 0.216 nan 8.300 nan 0.000 0.558 1090 G N -0.672 107.858 108.800 -0.450 0.000 2.348 1090 G HA2 0.009 3.969 3.960 -0.000 0.000 0.199 1090 G HA3 0.009 3.969 3.960 -0.000 0.000 0.199 1090 G C -1.273 173.349 174.900 -0.464 0.000 1.235 1090 G CA -0.642 44.296 45.100 -0.270 0.000 1.264 1090 G HN 0.623 nan 8.290 nan 0.000 0.543 1091 C N -0.560 118.651 119.300 -0.148 0.000 3.082 1091 C HA 0.732 5.191 4.460 -0.000 0.000 0.324 1091 C C -0.784 174.106 174.990 -0.168 0.000 1.210 1091 C CA -0.003 58.878 59.018 -0.229 0.000 1.366 1091 C CB 1.059 28.574 27.740 -0.375 0.000 1.756 1091 C HN 1.183 nan 8.230 nan 0.000 0.485 1092 V N 5.212 124.995 119.914 -0.218 0.000 2.487 1092 V HA 0.533 4.652 4.120 -0.000 0.000 0.298 1092 V C -1.076 174.798 176.094 -0.367 0.000 1.028 1092 V CA -0.368 61.825 62.300 -0.177 0.000 0.860 1092 V CB 1.185 32.998 31.823 -0.016 0.000 0.991 1092 V HN 0.828 nan 8.190 nan 0.000 0.427 1093 Y N 2.160 122.434 120.300 -0.043 0.000 2.509 1093 Y HA 0.549 5.099 4.550 -0.000 0.000 0.341 1093 Y C 0.811 176.634 175.900 -0.128 0.000 1.038 1093 Y CA -1.048 57.001 58.100 -0.084 0.000 1.089 1093 Y CB 1.130 39.502 38.460 -0.147 0.000 1.241 1093 Y HN 0.547 nan 8.280 nan 0.000 0.468 1094 H N 0.608 119.800 119.070 0.203 0.000 2.871 1094 H HA 0.342 4.897 4.556 -0.000 0.000 0.355 1094 H C 0.178 175.503 175.328 -0.005 0.000 1.092 1094 H CA 0.670 56.818 56.048 0.167 0.000 1.420 1094 H CB 0.861 30.757 29.762 0.224 0.000 1.400 1094 H HN 0.910 nan 8.280 nan 0.000 0.604 1095 G N 0.422 109.259 108.800 0.062 0.000 2.672 1095 G HA2 0.420 4.380 3.960 -0.000 0.000 0.292 1095 G HA3 0.420 4.380 3.960 -0.000 0.000 0.292 1095 G C -1.103 173.689 174.900 -0.180 0.000 1.375 1095 G CA -0.546 44.377 45.100 -0.295 0.000 0.890 1095 G HN 0.492 nan 8.290 nan 0.000 0.476 1096 T N 0.562 114.943 114.554 -0.288 0.000 2.841 1096 T HA 0.503 4.853 4.350 -0.000 0.000 0.285 1096 T C -1.104 173.561 174.700 -0.058 0.000 0.991 1096 T CA -0.303 61.760 62.100 -0.061 0.000 0.966 1096 T CB 1.562 70.451 68.868 0.036 0.000 0.962 1096 T HN 0.464 nan 8.240 nan 0.000 0.438 1097 L N 4.986 126.202 121.223 -0.012 0.000 2.313 1097 L HA 0.656 4.996 4.340 -0.000 0.000 0.283 1097 L C -0.901 175.969 176.870 0.001 0.000 1.013 1097 L CA -0.503 54.331 54.840 -0.011 0.000 0.816 1097 L CB 0.588 42.645 42.059 -0.002 0.000 1.236 1097 L HN 0.596 nan 8.230 nan 0.000 0.419 1105 I N -1.216 119.376 120.570 0.037 0.000 2.569 1105 I HA 0.394 4.563 4.170 -0.000 0.000 0.290 1105 I C -0.731 175.456 176.117 0.117 0.000 1.088 1105 I CA -0.781 60.559 61.300 0.067 0.000 1.047 1105 I CB 1.993 40.023 38.000 0.051 0.000 1.237 1105 I HN 0.683 nan 8.210 nan 0.000 0.421 1106 H N 5.717 124.799 119.070 0.021 0.000 2.819 1106 H HA 0.493 5.048 4.556 -0.000 0.000 0.303 1106 H C -0.424 174.948 175.328 0.073 0.000 1.058 1106 H CA -0.426 55.630 56.048 0.015 0.000 1.471 1106 H CB 0.915 30.660 29.762 -0.029 0.000 1.480 1106 H HN 0.942 nan 8.280 nan 0.000 0.517 1107 C N 3.188 122.649 119.300 0.268 0.000 2.971 1107 C HA 0.893 5.353 4.460 -0.000 0.000 0.310 1107 C C -0.083 174.992 174.990 0.141 0.000 1.285 1107 C CA -0.896 58.205 59.018 0.137 0.000 1.593 1107 C CB 0.695 28.475 27.740 0.066 0.000 2.076 1107 C HN 0.934 nan 8.230 nan 0.000 0.472 1108 A N 0.973 123.849 122.820 0.094 0.000 2.305 1108 A HA 0.752 5.072 4.320 -0.000 0.000 0.322 1108 A C -0.678 176.923 177.584 0.028 0.000 1.187 1108 A CA -0.428 51.645 52.037 0.060 0.000 0.825 1108 A CB 0.621 19.642 19.000 0.035 0.000 1.164 1108 A HN 1.340 nan 8.150 nan 0.000 0.498 1109 V N 3.265 123.202 119.914 0.038 0.000 2.378 1109 V HA 0.324 4.443 4.120 -0.000 0.000 0.288 1109 V C 0.165 176.319 176.094 0.101 0.000 1.016 1109 V CA -0.681 61.652 62.300 0.055 0.000 0.840 1109 V CB 1.335 33.176 31.823 0.030 0.000 0.994 1109 V HN 0.907 nan 8.190 nan 0.000 0.431 1110 K N 2.937 123.384 120.400 0.078 0.000 2.248 1110 K HA 0.411 4.730 4.320 -0.000 0.000 0.281 1110 K C -0.036 176.644 176.600 0.133 0.000 1.054 1110 K CA -0.041 56.304 56.287 0.097 0.000 0.903 1110 K CB 1.048 33.589 32.500 0.068 0.000 1.077 1110 K HN 0.665 nan 8.250 nan 0.000 0.474 1111 S N 6.201 122.002 115.700 0.169 0.000 2.410 1111 S HA 0.313 4.783 4.470 -0.000 0.000 0.304 1111 S C 0.059 174.720 174.600 0.102 0.000 1.095 1111 S CA -0.907 57.396 58.200 0.172 0.000 1.089 1111 S CB 0.133 63.524 63.200 0.318 0.000 0.968 1111 S HN 0.523 nan 8.310 nan 0.000 0.480 1112 L N 4.273 125.524 121.223 0.046 0.000 2.456 1112 L HA 0.385 4.725 4.340 -0.000 0.000 0.257 1112 L C 0.788 177.641 176.870 -0.028 0.000 1.162 1112 L CA -0.871 53.972 54.840 0.005 0.000 0.808 1112 L CB 0.182 42.200 42.059 -0.069 0.000 1.136 1112 L HN 0.642 nan 8.230 nan 0.000 0.466 1113 N N 0.303 118.980 118.700 -0.039 0.000 2.416 1113 N HA 0.075 4.815 4.740 -0.000 0.000 0.246 1113 N C -0.143 175.320 175.510 -0.080 0.000 1.260 1113 N CA -0.298 52.719 53.050 -0.055 0.000 0.897 1113 N CB 0.378 38.832 38.487 -0.054 0.000 1.110 1113 N HN 0.409 nan 8.380 nan 0.000 0.439 1114 R N 1.482 121.940 120.500 -0.070 0.000 2.538 1114 R HA 0.099 4.439 4.340 -0.000 0.000 0.282 1114 R C -0.584 175.660 176.300 -0.092 0.000 1.009 1114 R CA 0.219 56.271 56.100 -0.080 0.000 1.063 1114 R CB 0.142 30.409 30.300 -0.054 0.000 0.945 1114 R HN 0.494 nan 8.270 nan 0.000 0.414 1115 I N 3.739 124.236 120.570 -0.122 0.000 2.321 1115 I HA 0.131 4.301 4.170 -0.000 0.000 0.291 1115 I C 1.047 177.112 176.117 -0.086 0.000 0.998 1115 I CA -0.245 60.988 61.300 -0.112 0.000 1.227 1115 I CB 1.888 39.792 38.000 -0.161 0.000 1.368 1115 I HN 0.740 nan 8.210 nan 0.000 0.466 1116 T N -0.653 113.863 114.554 -0.065 0.000 3.132 1116 T HA 0.200 4.550 4.350 -0.000 0.000 0.274 1116 T C -0.124 174.542 174.700 -0.057 0.000 1.011 1116 T CA -0.429 61.634 62.100 -0.061 0.000 0.899 1116 T CB -0.261 68.580 68.868 -0.046 0.000 1.089 1116 T HN 0.529 nan 8.240 nan 0.000 0.543 1117 D N 0.179 120.551 120.400 -0.048 0.000 2.375 1117 D HA 0.420 5.060 4.640 -0.000 0.000 0.247 1117 D C 1.131 177.412 176.300 -0.030 0.000 1.061 1117 D CA -0.895 53.084 54.000 -0.036 0.000 0.834 1117 D CB 0.938 41.724 40.800 -0.024 0.000 1.247 1117 D HN -0.155 nan 8.370 nan 0.000 0.489 1118 I N 3.194 123.747 120.570 -0.029 0.000 2.315 1118 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 1118 I C 2.190 178.307 176.117 -0.000 0.000 1.117 1118 I CA 1.153 62.442 61.300 -0.018 0.000 1.404 1118 I CB -1.046 36.941 38.000 -0.022 0.000 1.071 1118 I HN 0.685 nan 8.210 nan 0.000 0.419 1119 G N 0.637 109.437 108.800 0.000 0.000 2.440 1119 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 1119 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 1119 G C 1.558 176.470 174.900 0.020 0.000 1.154 1119 G CA 0.427 45.532 45.100 0.009 0.000 0.767 1119 G HN 0.434 nan 8.290 nan 0.000 0.552 1120 E N -0.084 120.125 120.200 0.014 0.000 2.106 1120 E HA -0.059 4.291 4.350 -0.000 0.000 0.192 1120 E C 2.735 179.365 176.600 0.050 0.000 0.984 1120 E CA 0.755 57.169 56.400 0.023 0.000 0.806 1120 E CB -0.087 29.612 29.700 -0.000 0.000 0.750 1120 E HN 0.315 nan 8.360 nan 0.000 0.458 1121 V N 1.119 121.053 119.914 0.032 0.000 2.343 1121 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 1121 V C 2.241 178.416 176.094 0.135 0.000 1.051 1121 V CA 1.856 64.197 62.300 0.069 0.000 1.036 1121 V CB -0.360 31.477 31.823 0.023 0.000 0.654 1121 V HN 0.198 nan 8.190 nan 0.000 0.451 1122 S N -0.835 114.911 115.700 0.076 0.000 2.383 1122 S HA -0.271 4.198 4.470 -0.000 0.000 0.227 1122 S C 1.969 176.605 174.600 0.060 0.000 1.026 1122 S CA 1.651 59.888 58.200 0.061 0.000 0.981 1122 S CB -0.295 62.925 63.200 0.033 0.000 0.818 1122 S HN 0.689 nan 8.310 nan 0.000 0.472 1123 Q N -0.018 119.824 119.800 0.069 0.000 2.119 1123 Q HA -0.126 4.214 4.340 -0.000 0.000 0.201 1123 Q C 1.903 177.946 176.000 0.071 0.000 0.972 1123 Q CA 1.246 57.082 55.803 0.056 0.000 0.847 1123 Q CB -0.218 28.552 28.738 0.054 0.000 0.903 1123 Q HN 0.568 nan 8.270 nan 0.000 0.433 1124 F N 0.766 120.696 119.950 -0.033 0.000 2.102 1124 F HA -0.191 4.336 4.527 -0.000 0.000 0.298 1124 F C 1.588 177.358 175.800 -0.051 0.000 1.105 1124 F CA 1.389 59.363 58.000 -0.043 0.000 1.239 1124 F CB -0.144 38.834 39.000 -0.037 0.000 0.991 1124 F HN 0.050 nan 8.300 nan 0.000 0.474 1125 L N -0.635 120.555 121.223 -0.057 0.000 2.093 1125 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 1125 L C 2.341 179.105 176.870 -0.177 0.000 1.085 1125 L CA 1.643 56.383 54.840 -0.167 0.000 0.755 1125 L CB -1.225 40.832 42.059 -0.004 0.000 0.904 1125 L HN 0.135 nan 8.230 nan 0.000 0.435 1126 T N -0.877 113.617 114.554 -0.100 0.000 2.777 1126 T HA -0.232 4.118 4.350 -0.000 0.000 0.266 1126 T C 1.782 176.406 174.700 -0.127 0.000 1.040 1126 T CA 1.538 63.590 62.100 -0.079 0.000 1.141 1126 T CB -0.086 68.762 68.868 -0.034 0.000 0.868 1126 T HN 0.354 nan 8.240 nan 0.000 0.444 1127 E N 0.532 120.633 120.200 -0.165 0.000 2.110 1127 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 1127 E C 2.397 178.821 176.600 -0.295 0.000 0.988 1127 E CA 1.210 57.483 56.400 -0.211 0.000 0.804 1127 E CB -0.509 29.074 29.700 -0.194 0.000 0.745 1127 E HN 0.492 nan 8.360 nan 0.000 0.458 1128 G N 1.021 109.592 108.800 -0.383 0.000 2.440 1128 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 1128 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 1128 G C 1.575 176.316 174.900 -0.264 0.000 1.154 1128 G CA 1.021 45.889 45.100 -0.388 0.000 0.767 1128 G HN 0.275 nan 8.290 nan 0.000 0.552 1129 I N 0.406 120.861 120.570 -0.192 0.000 2.252 1129 I HA -0.115 4.055 4.170 -0.000 0.000 0.245 1129 I C 2.658 178.753 176.117 -0.037 0.000 1.102 1129 I CA 0.760 62.013 61.300 -0.079 0.000 1.385 1129 I CB -0.163 37.840 38.000 0.006 0.000 1.064 1129 I HN 0.156 nan 8.210 nan 0.000 0.414 1130 I N -0.023 120.491 120.570 -0.093 0.000 2.142 1130 I HA -0.338 3.832 4.170 -0.000 0.000 0.240 1130 I C 2.635 178.624 176.117 -0.213 0.000 1.078 1130 I CA 1.565 62.803 61.300 -0.103 0.000 1.343 1130 I CB -0.292 37.618 38.000 -0.149 0.000 1.046 1130 I HN 0.262 nan 8.210 nan 0.000 0.405 1131 M N 0.637 120.032 119.600 -0.342 0.000 2.213 1131 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 1131 M C 2.192 178.431 176.300 -0.101 0.000 1.062 1131 M CA 1.636 56.702 55.300 -0.391 0.000 1.105 1131 M CB -0.031 32.339 32.600 -0.384 0.000 1.385 1131 M HN -0.029 nan 8.290 nan 0.000 0.417 1132 K N 0.815 121.173 120.400 -0.070 0.000 2.152 1132 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 1132 K C 0.698 177.372 176.600 0.123 0.000 1.048 1132 K CA 1.910 58.201 56.287 0.007 0.000 0.933 1132 K CB -0.202 32.285 32.500 -0.021 0.000 0.721 1132 K HN 0.362 nan 8.250 nan 0.000 0.447 1133 D N -1.191 119.327 120.400 0.196 0.000 2.339 1133 D HA 0.069 4.708 4.640 -0.000 0.000 0.217 1133 D C -0.348 176.230 176.300 0.464 0.000 1.050 1133 D CA 0.173 54.337 54.000 0.272 0.000 0.856 1133 D CB 0.029 40.968 40.800 0.232 0.000 0.922 1133 D HN 0.163 nan 8.370 nan 0.000 0.518 1134 F N 1.075 121.135 119.950 0.184 0.000 2.668 1134 F HA 0.078 4.605 4.527 -0.000 0.000 0.365 1134 F C 0.903 176.823 175.800 0.199 0.000 1.165 1134 F CA -0.472 57.737 58.000 0.349 0.000 1.344 1134 F CB 0.060 39.223 39.000 0.271 0.000 1.658 1134 F HN -0.190 nan 8.300 nan 0.000 0.620 1135 S N 1.968 117.790 115.700 0.205 0.000 2.430 1135 S HA 0.238 4.708 4.470 -0.000 0.000 0.289 1135 S C -0.832 173.509 174.600 -0.431 0.000 1.143 1135 S CA -0.284 57.883 58.200 -0.055 0.000 1.067 1135 S CB 0.209 63.416 63.200 0.012 0.000 0.964 1135 S HN 0.543 nan 8.310 nan 0.000 0.485 1136 H N 4.584 123.318 119.070 -0.560 0.000 3.085 1136 H HA 0.309 4.865 4.556 -0.000 0.000 0.356 1136 H C -2.582 172.555 175.328 -0.318 0.000 1.178 1136 H CA -1.246 54.407 56.048 -0.658 0.000 1.214 1136 H CB 2.203 31.216 29.762 -1.249 0.000 1.881 1136 H HN 0.378 nan 8.280 nan 0.000 0.538 1137 P HA -0.056 nan 4.420 nan 0.000 0.221 1137 P C -0.005 177.281 177.300 -0.024 0.000 1.145 1137 P CA 1.231 64.186 63.100 -0.242 0.000 0.795 1137 P CB 0.268 31.786 31.700 -0.304 0.000 0.775 1138 N N -1.231 117.609 118.700 0.233 0.000 2.275 1138 N HA 0.188 4.928 4.740 -0.000 0.000 0.236 1138 N C -0.960 174.612 175.510 0.103 0.000 1.154 1138 N CA -0.175 52.973 53.050 0.162 0.000 0.866 1138 N CB 0.747 39.331 38.487 0.161 0.000 1.093 1138 N HN -0.106 nan 8.380 nan 0.000 0.515 1139 V N 1.360 121.333 119.914 0.099 0.000 2.638 1139 V HA 0.277 4.397 4.120 -0.000 0.000 0.306 1139 V C -0.371 175.821 176.094 0.163 0.000 1.052 1139 V CA -1.033 61.335 62.300 0.114 0.000 0.885 1139 V CB 2.203 34.056 31.823 0.050 0.000 0.999 1139 V HN 0.091 nan 8.190 nan 0.000 0.424 1140 L N 5.060 126.429 121.223 0.243 0.000 2.513 1140 L HA 0.308 4.648 4.340 -0.000 0.000 0.272 1140 L C 0.806 177.744 176.870 0.112 0.000 1.187 1140 L CA 0.912 55.828 54.840 0.127 0.000 0.895 1140 L CB 0.980 43.084 42.059 0.075 0.000 1.147 1140 L HN 0.935 nan 8.230 nan 0.000 0.483 1141 S N 4.996 120.717 115.700 0.034 0.000 2.616 1141 S HA 0.534 5.004 4.470 -0.000 0.000 0.277 1141 S C -0.419 174.156 174.600 -0.042 0.000 1.234 1141 S CA -0.973 57.238 58.200 0.019 0.000 1.028 1141 S CB 1.403 64.606 63.200 0.005 0.000 0.988 1141 S HN 0.629 nan 8.310 nan 0.000 0.522 1142 L N 3.187 124.376 121.223 -0.056 0.000 2.255 1142 L HA 0.425 4.765 4.340 -0.000 0.000 0.289 1142 L C 0.506 177.336 176.870 -0.065 0.000 1.046 1142 L CA -0.318 54.465 54.840 -0.096 0.000 0.816 1142 L CB 0.075 42.050 42.059 -0.141 0.000 1.197 1142 L HN 0.915 nan 8.230 nan 0.000 0.427 1143 L N 4.693 125.883 121.223 -0.056 0.000 2.156 1143 L HA 0.328 4.668 4.340 -0.000 0.000 0.208 1143 L C 1.142 177.981 176.870 -0.051 0.000 1.095 1143 L CA 0.752 55.569 54.840 -0.039 0.000 0.770 1143 L CB -0.591 41.453 42.059 -0.024 0.000 0.914 1143 L HN 0.854 nan 8.230 nan 0.000 0.439 1144 G N -0.291 108.468 108.800 -0.067 0.000 2.324 1144 G HA2 0.355 4.315 3.960 -0.000 0.000 0.293 1144 G HA3 0.355 4.315 3.960 -0.000 0.000 0.293 1144 G C -1.758 173.102 174.900 -0.067 0.000 1.297 1144 G CA -0.419 44.632 45.100 -0.082 0.000 0.853 1144 G HN 0.043 nan 8.290 nan 0.000 0.535 1145 I N -2.844 117.690 120.570 -0.060 0.000 2.892 1145 I HA 0.877 5.047 4.170 -0.000 0.000 0.306 1145 I C -0.534 175.611 176.117 0.048 0.000 1.078 1145 I CA -1.166 60.141 61.300 0.012 0.000 1.032 1145 I CB 2.114 40.099 38.000 -0.024 0.000 1.229 1145 I HN 0.628 nan 8.210 nan 0.000 0.435 1146 C N 3.680 123.041 119.300 0.103 0.000 2.634 1146 C HA 0.778 5.238 4.460 -0.000 0.000 0.313 1146 C C -0.591 174.468 174.990 0.115 0.000 1.198 1146 C CA -0.548 58.520 59.018 0.083 0.000 1.605 1146 C CB 1.389 29.159 27.740 0.050 0.000 2.196 1146 C HN 0.710 nan 8.230 nan 0.000 0.486 1147 L N 3.062 124.335 121.223 0.083 0.000 2.471 1147 L HA 0.619 4.959 4.340 -0.000 0.000 0.263 1147 L C -0.156 176.727 176.870 0.023 0.000 0.985 1147 L CA 0.002 54.872 54.840 0.050 0.000 0.868 1147 L CB 0.328 42.440 42.059 0.088 0.000 1.203 1147 L HN 0.751 nan 8.230 nan 0.000 0.429 1148 R N 2.087 122.592 120.500 0.008 0.000 2.541 1148 R HA 0.574 4.914 4.340 -0.000 0.000 0.263 1148 R C -0.024 176.276 176.300 0.002 0.000 1.112 1148 R CA -0.026 56.080 56.100 0.010 0.000 1.170 1148 R CB 1.159 31.468 30.300 0.015 0.000 1.167 1148 R HN 0.646 nan 8.270 nan 0.000 0.582 1149 S N 1.596 117.300 115.700 0.008 0.000 2.599 1149 S HA -0.050 4.420 4.470 -0.000 0.000 0.303 1149 S C -0.421 174.183 174.600 0.008 0.000 1.267 1149 S CA 0.927 59.135 58.200 0.013 0.000 1.055 1149 S CB -0.046 63.164 63.200 0.018 0.000 0.790 1149 S HN 0.619 nan 8.310 nan 0.000 0.500 1150 E N 1.923 122.132 120.200 0.016 0.000 3.070 1150 E HA -0.201 4.149 4.350 -0.000 0.000 0.285 1150 E C 0.624 177.207 176.600 -0.028 0.000 0.972 1150 E CA 1.139 57.547 56.400 0.013 0.000 0.915 1150 E CB -2.076 27.646 29.700 0.036 0.000 1.466 1150 E HN 1.615 nan 8.360 nan 0.000 0.432 1151 G N 0.139 108.912 108.800 -0.044 0.000 2.225 1151 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 1151 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 1151 G C 0.076 174.915 174.900 -0.102 0.000 1.060 1151 G CA 0.524 45.577 45.100 -0.079 0.000 0.833 1151 G HN 0.318 nan 8.290 nan 0.000 0.498 1152 S N 1.806 117.464 115.700 -0.071 0.000 2.409 1152 S HA 0.521 4.991 4.470 -0.000 0.000 0.308 1152 S C -1.972 172.579 174.600 -0.082 0.000 1.080 1152 S CA -0.780 57.381 58.200 -0.065 0.000 1.081 1152 S CB 1.747 64.934 63.200 -0.021 0.000 1.009 1152 S HN 0.406 nan 8.310 nan 0.000 0.502 1153 P HA 0.528 nan 4.420 nan 0.000 0.284 1153 P C -0.993 176.287 177.300 -0.033 0.000 1.258 1153 P CA -0.678 62.305 63.100 -0.195 0.000 0.824 1153 P CB 0.808 32.125 31.700 -0.639 0.000 1.038 1154 L N 1.340 122.602 121.223 0.066 0.000 2.386 1154 L HA 0.591 4.931 4.340 -0.000 0.000 0.271 1154 L C -0.706 176.259 176.870 0.159 0.000 0.993 1154 L CA -1.148 53.752 54.840 0.101 0.000 0.819 1154 L CB 2.382 44.484 42.059 0.072 0.000 1.294 1154 L HN 0.026 nan 8.230 nan 0.000 0.414 1155 V N 3.363 123.352 119.914 0.124 0.000 2.448 1155 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 1155 V C -0.253 175.857 176.094 0.026 0.000 1.025 1155 V CA -0.626 61.724 62.300 0.084 0.000 0.859 1155 V CB 2.272 34.141 31.823 0.077 0.000 0.988 1155 V HN 0.420 nan 8.190 nan 0.000 0.431 1156 V N 6.980 126.891 119.914 -0.004 0.000 2.384 1156 V HA 0.567 4.687 4.120 -0.000 0.000 0.287 1156 V C -0.241 175.834 176.094 -0.032 0.000 1.020 1156 V CA -0.364 61.928 62.300 -0.013 0.000 0.850 1156 V CB 1.401 33.215 31.823 -0.015 0.000 0.987 1156 V HN 0.641 nan 8.190 nan 0.000 0.436 1157 L N 6.077 127.285 121.223 -0.026 0.000 2.333 1157 L HA 0.631 4.971 4.340 -0.000 0.000 0.263 1157 L C -2.614 174.246 176.870 -0.016 0.000 1.014 1157 L CA -2.238 52.578 54.840 -0.040 0.000 0.820 1157 L CB 2.825 44.846 42.059 -0.063 0.000 1.352 1157 L HN 0.368 nan 8.230 nan 0.000 0.421 1158 P HA -0.010 nan 4.420 nan 0.000 0.271 1158 P C -1.182 176.107 177.300 -0.019 0.000 1.216 1158 P CA -0.050 63.046 63.100 -0.007 0.000 0.776 1158 P CB 0.211 31.896 31.700 -0.026 0.000 0.881 1159 Y N 3.536 123.746 120.300 -0.150 0.000 2.425 1159 Y HA 0.172 4.722 4.550 -0.000 0.000 0.331 1159 Y C 0.150 175.926 175.900 -0.207 0.000 1.157 1159 Y CA 0.257 58.206 58.100 -0.252 0.000 1.372 1159 Y CB 0.348 38.464 38.460 -0.572 0.000 1.253 1159 Y HN 0.230 nan 8.280 nan 0.000 0.536 1160 M N 7.761 126.824 119.600 -0.896 0.000 2.103 1160 M HA 0.148 4.628 4.480 -0.000 0.000 0.350 1160 M C 1.086 176.842 176.300 -0.907 0.000 1.100 1160 M CA -0.295 54.601 55.300 -0.673 0.000 1.042 1160 M CB 1.205 33.564 32.600 -0.402 0.000 1.368 1160 M HN 0.837 nan 8.290 nan 0.000 0.404 1161 K N 1.973 121.942 120.400 -0.718 0.000 2.089 1161 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 1161 K C 0.627 176.915 176.600 -0.519 0.000 1.048 1161 K CA 2.004 57.950 56.287 -0.568 0.000 0.926 1161 K CB 0.158 32.337 32.500 -0.534 0.000 0.714 1161 K HN 0.671 nan 8.250 nan 0.000 0.448 1162 H N -0.990 117.959 119.070 -0.201 0.000 2.549 1162 H HA 0.227 4.783 4.556 -0.000 0.000 0.279 1162 H C 0.736 176.058 175.328 -0.010 0.000 1.018 1162 H CA -0.050 55.980 56.048 -0.031 0.000 1.175 1162 H CB 0.837 30.520 29.762 -0.132 0.000 1.485 1162 H HN 0.540 nan 8.280 nan 0.000 0.543 1163 G N 1.446 110.199 108.800 -0.078 0.000 2.569 1163 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.259 1163 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.259 1163 G C -0.337 174.518 174.900 -0.076 0.000 1.263 1163 G CA -0.120 44.934 45.100 -0.076 0.000 0.928 1163 G HN 0.534 nan 8.290 nan 0.000 0.572 1164 D N 0.129 120.491 120.400 -0.063 0.000 2.313 1164 D HA 0.315 4.955 4.640 -0.000 0.000 0.247 1164 D C 1.601 177.892 176.300 -0.015 0.000 1.094 1164 D CA -0.296 53.657 54.000 -0.077 0.000 0.925 1164 D CB 1.670 42.391 40.800 -0.132 0.000 1.188 1164 D HN 0.477 nan 8.370 nan 0.000 0.430 1165 L N 1.865 123.058 121.223 -0.050 0.000 2.141 1165 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 1165 L C 2.650 179.572 176.870 0.085 0.000 1.094 1165 L CA 1.436 56.252 54.840 -0.041 0.000 0.763 1165 L CB -0.791 41.203 42.059 -0.109 0.000 0.908 1165 L HN 0.557 nan 8.230 nan 0.000 0.437 1166 R N -0.456 120.083 120.500 0.065 0.000 2.070 1166 R HA -0.184 4.156 4.340 -0.000 0.000 0.233 1166 R C 2.054 178.409 176.300 0.092 0.000 1.137 1166 R CA 2.165 58.321 56.100 0.093 0.000 0.945 1166 R CB -0.306 30.040 30.300 0.076 0.000 0.845 1166 R HN 0.514 nan 8.270 nan 0.000 0.430 1167 N N -0.617 118.123 118.700 0.066 0.000 2.244 1167 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 1167 N C 1.472 177.028 175.510 0.077 0.000 1.016 1167 N CA 1.072 54.152 53.050 0.049 0.000 0.866 1167 N CB -0.150 38.350 38.487 0.021 0.000 0.980 1167 N HN 0.137 nan 8.380 nan 0.000 0.430 1168 F N 2.284 122.246 119.950 0.020 0.000 2.075 1168 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 1168 F C 1.992 177.874 175.800 0.137 0.000 1.113 1168 F CA 1.226 59.290 58.000 0.107 0.000 1.218 1168 F CB -0.240 38.829 39.000 0.115 0.000 0.984 1168 F HN -0.000 nan 8.300 nan 0.000 0.472 1169 I N -1.411 119.317 120.570 0.264 0.000 2.546 1169 I HA -0.124 4.046 4.170 -0.000 0.000 0.255 1169 I C 2.167 178.298 176.117 0.024 0.000 1.163 1169 I CA 1.131 62.533 61.300 0.171 0.000 1.457 1169 I CB -0.706 37.437 38.000 0.240 0.000 1.092 1169 I HN 0.084 nan 8.210 nan 0.000 0.434 1170 R N 1.397 121.901 120.500 0.007 0.000 2.148 1170 R HA 0.010 4.350 4.340 -0.000 0.000 0.223 1170 R C 0.932 177.178 176.300 -0.089 0.000 1.088 1170 R CA 0.305 56.395 56.100 -0.017 0.000 0.985 1170 R CB -0.429 29.874 30.300 0.006 0.000 0.880 1170 R HN 0.393 nan 8.270 nan 0.000 0.451 1171 N N 1.914 120.487 118.700 -0.211 0.000 2.434 1171 N HA -0.082 4.658 4.740 -0.000 0.000 0.268 1171 N C -0.039 175.309 175.510 -0.271 0.000 1.256 1171 N CA 0.364 53.215 53.050 -0.332 0.000 0.914 1171 N CB 1.074 39.140 38.487 -0.702 0.000 1.088 1171 N HN 0.083 nan 8.380 nan 0.000 0.478 1172 E N 0.922 121.036 120.200 -0.145 0.000 2.333 1172 E HA -0.130 4.220 4.350 -0.000 0.000 0.198 1172 E C 1.526 178.101 176.600 -0.043 0.000 1.007 1172 E CA 1.323 57.684 56.400 -0.065 0.000 0.845 1172 E CB -0.027 29.650 29.700 -0.038 0.000 0.766 1172 E HN 0.767 nan 8.360 nan 0.000 0.507 1173 T N -2.411 112.098 114.554 -0.075 0.000 3.113 1173 T HA -0.019 4.331 4.350 -0.000 0.000 0.256 1173 T C 0.459 175.249 174.700 0.151 0.000 1.131 1173 T CA 0.019 62.133 62.100 0.023 0.000 1.074 1173 T CB -0.336 68.554 68.868 0.036 0.000 0.944 1173 T HN 0.187 nan 8.240 nan 0.000 0.516 1174 H N 1.554 120.545 119.070 -0.131 0.000 2.487 1174 H HA 0.386 4.942 4.556 -0.000 0.000 0.333 1174 H C -0.112 175.165 175.328 -0.086 0.000 1.114 1174 H CA -0.972 54.967 56.048 -0.182 0.000 1.310 1174 H CB 0.660 30.142 29.762 -0.467 0.000 1.462 1174 H HN 0.173 nan 8.280 nan 0.000 0.516 1175 N N 4.340 123.080 118.700 0.066 0.000 2.886 1175 N HA 0.137 4.877 4.740 -0.000 0.000 0.285 1175 N C -2.640 172.900 175.510 0.050 0.000 1.706 1175 N CA -1.128 51.982 53.050 0.100 0.000 0.904 1175 N CB 1.253 39.834 38.487 0.157 0.000 1.224 1175 N HN 0.513 nan 8.380 nan 0.000 0.488 1176 P HA 0.078 nan 4.420 nan 0.000 0.271 1176 P C 0.326 177.484 177.300 -0.238 0.000 1.218 1176 P CA 0.077 63.117 63.100 -0.101 0.000 0.780 1176 P CB 0.870 32.557 31.700 -0.023 0.000 0.901 1177 T N -2.068 112.283 114.554 -0.339 0.000 2.912 1177 T HA 0.238 4.588 4.350 -0.000 0.000 0.280 1177 T C 1.441 175.934 174.700 -0.345 0.000 0.989 1177 T CA -0.784 61.056 62.100 -0.434 0.000 0.995 1177 T CB 0.349 68.918 68.868 -0.498 0.000 1.077 1177 T HN 0.044 nan 8.240 nan 0.000 0.531 1178 V N 1.057 120.769 119.914 -0.336 0.000 2.287 1178 V HA -0.171 3.949 4.120 -0.000 0.000 0.248 1178 V C 2.856 178.691 176.094 -0.433 0.000 1.053 1178 V CA 2.315 64.384 62.300 -0.385 0.000 1.027 1178 V CB -0.930 30.608 31.823 -0.475 0.000 0.646 1178 V HN 1.013 nan 8.190 nan 0.000 0.447 1179 K N -0.101 120.056 120.400 -0.405 0.000 2.032 1179 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 1179 K C 1.866 178.383 176.600 -0.137 0.000 1.048 1179 K CA 2.080 58.203 56.287 -0.273 0.000 0.927 1179 K CB -0.277 32.068 32.500 -0.259 0.000 0.712 1179 K HN 0.466 nan 8.250 nan 0.000 0.441 1180 D N 0.755 120.989 120.400 -0.277 0.000 2.123 1180 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 1180 D C 1.987 177.863 176.300 -0.707 0.000 0.992 1180 D CA 1.174 54.888 54.000 -0.476 0.000 0.833 1180 D CB -0.145 40.357 40.800 -0.496 0.000 0.954 1180 D HN 0.262 nan 8.370 nan 0.000 0.455 1181 L N 0.328 121.311 121.223 -0.400 0.000 2.072 1181 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 1181 L C 2.541 179.360 176.870 -0.085 0.000 1.079 1181 L CA 0.555 55.277 54.840 -0.196 0.000 0.752 1181 L CB -0.225 41.782 42.059 -0.087 0.000 0.906 1181 L HN 0.000 nan 8.230 nan 0.000 0.436 1182 I N -0.115 120.408 120.570 -0.079 0.000 2.286 1182 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 1182 I C 2.634 178.779 176.117 0.046 0.000 1.115 1182 I CA 1.331 62.652 61.300 0.036 0.000 1.392 1182 I CB -0.928 37.119 38.000 0.078 0.000 1.065 1182 I HN 0.287 nan 8.210 nan 0.000 0.418 1183 G N 0.846 109.643 108.800 -0.005 0.000 2.440 1183 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 1183 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 1183 G C 1.658 176.510 174.900 -0.081 0.000 1.154 1183 G CA 0.589 45.525 45.100 -0.273 0.000 0.767 1183 G HN 0.315 nan 8.290 nan 0.000 0.552 1184 F N 1.132 121.077 119.950 -0.009 0.000 2.134 1184 F HA -0.025 4.502 4.527 -0.000 0.000 0.299 1184 F C 3.014 178.846 175.800 0.054 0.000 1.097 1184 F CA 0.329 58.337 58.000 0.015 0.000 1.264 1184 F CB -0.183 38.838 39.000 0.035 0.000 1.001 1184 F HN 0.254 nan 8.300 nan 0.000 0.479 1185 G N 0.256 109.211 108.800 0.257 0.000 2.422 1185 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 1185 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 1185 G C 1.489 176.583 174.900 0.323 0.000 1.146 1185 G CA 0.693 45.952 45.100 0.266 0.000 0.769 1185 G HN 0.226 nan 8.290 nan 0.000 0.547 1186 L N 0.533 121.848 121.223 0.153 0.000 2.017 1186 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 1186 L C 2.864 179.767 176.870 0.055 0.000 1.073 1186 L CA 1.969 56.849 54.840 0.067 0.000 0.745 1186 L CB -0.813 41.164 42.059 -0.135 0.000 0.894 1186 L HN 0.328 nan 8.230 nan 0.000 0.432 1187 Q N -1.142 118.690 119.800 0.055 0.000 2.096 1187 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 1187 Q C 2.177 178.223 176.000 0.076 0.000 0.982 1187 Q CA 2.018 57.860 55.803 0.065 0.000 0.850 1187 Q CB -0.369 28.424 28.738 0.092 0.000 0.901 1187 Q HN 0.477 nan 8.270 nan 0.000 0.422 1188 V N 1.040 121.039 119.914 0.143 0.000 2.343 1188 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 1188 V C 2.304 178.391 176.094 -0.011 0.000 1.051 1188 V CA 1.832 64.216 62.300 0.142 0.000 1.036 1188 V CB -1.027 30.994 31.823 0.330 0.000 0.654 1188 V HN 0.408 nan 8.190 nan 0.000 0.451 1189 A N -0.285 122.525 122.820 -0.017 0.000 1.940 1189 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 1189 A C 2.292 179.751 177.584 -0.209 0.000 1.176 1189 A CA 2.068 53.929 52.037 -0.293 0.000 0.631 1189 A CB -0.426 18.466 19.000 -0.181 0.000 0.814 1189 A HN 0.568 nan 8.150 nan 0.000 0.446 1190 K N -0.871 119.473 120.400 -0.093 0.000 2.057 1190 K HA -0.061 4.259 4.320 -0.000 0.000 0.206 1190 K C 2.149 178.593 176.600 -0.260 0.000 1.050 1190 K CA 1.023 57.268 56.287 -0.070 0.000 0.935 1190 K CB -0.422 32.121 32.500 0.072 0.000 0.715 1190 K HN 0.458 nan 8.250 nan 0.000 0.439 1191 G N 1.068 109.718 108.800 -0.251 0.000 2.418 1191 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 1191 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 1191 G C 1.451 176.133 174.900 -0.364 0.000 1.158 1191 G CA 0.589 45.474 45.100 -0.359 0.000 0.771 1191 G HN 0.059 nan 8.290 nan 0.000 0.545 1192 M N 0.468 119.785 119.600 -0.473 0.000 2.254 1192 M HA 0.089 4.569 4.480 -0.000 0.000 0.265 1192 M C 2.267 178.160 176.300 -0.678 0.000 1.066 1192 M CA 0.930 55.761 55.300 -0.783 0.000 1.123 1192 M CB -0.808 30.810 32.600 -1.637 0.000 1.388 1192 M HN 0.312 nan 8.290 nan 0.000 0.425 1193 K N -0.089 120.053 120.400 -0.429 0.000 2.063 1193 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 1193 K C 2.027 178.532 176.600 -0.159 0.000 1.048 1193 K CA 1.461 57.659 56.287 -0.148 0.000 0.928 1193 K CB -0.301 32.169 32.500 -0.051 0.000 0.713 1193 K HN 0.161 nan 8.250 nan 0.000 0.442 1194 F N 1.710 121.427 119.950 -0.387 0.000 2.075 1194 F HA -0.180 4.347 4.527 -0.000 0.000 0.297 1194 F C 1.777 177.361 175.800 -0.360 0.000 1.113 1194 F CA 1.476 59.242 58.000 -0.389 0.000 1.218 1194 F CB -0.321 38.294 39.000 -0.643 0.000 0.984 1194 F HN -0.034 nan 8.300 nan 0.000 0.472 1195 L N 0.128 121.141 121.223 -0.350 0.000 2.012 1195 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 1195 L C 2.824 179.536 176.870 -0.264 0.000 1.073 1195 L CA 1.301 55.923 54.840 -0.363 0.000 0.748 1195 L CB -1.300 40.698 42.059 -0.101 0.000 0.891 1195 L HN 0.293 nan 8.230 nan 0.000 0.431 1196 A N 0.082 122.792 122.820 -0.183 0.000 1.940 1196 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 1196 A C 2.504 180.007 177.584 -0.135 0.000 1.176 1196 A CA 2.026 54.020 52.037 -0.071 0.000 0.631 1196 A CB -0.703 18.337 19.000 0.067 0.000 0.814 1196 A HN 0.551 nan 8.150 nan 0.000 0.446 1197 S N -0.680 114.873 115.700 -0.244 0.000 2.447 1197 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 1197 S C 1.374 175.780 174.600 -0.324 0.000 1.006 1197 S CA 1.149 59.196 58.200 -0.256 0.000 0.957 1197 S CB -0.148 62.892 63.200 -0.267 0.000 0.773 1197 S HN 0.429 nan 8.310 nan 0.000 0.507 1198 K N 0.991 121.109 120.400 -0.470 0.000 2.417 1198 K HA 0.187 4.507 4.320 -0.000 0.000 0.196 1198 K C -0.048 176.478 176.600 -0.124 0.000 1.023 1198 K CA -0.015 56.023 56.287 -0.414 0.000 1.122 1198 K CB -0.001 31.982 32.500 -0.862 0.000 0.850 1198 K HN 0.239 nan 8.250 nan 0.000 0.521 1199 K N 0.030 120.385 120.400 -0.075 0.000 3.069 1199 K HA -0.217 4.103 4.320 -0.000 0.000 0.267 1199 K C -0.267 176.387 176.600 0.091 0.000 1.082 1199 K CA 0.527 56.820 56.287 0.011 0.000 0.782 1199 K CB -2.650 29.862 32.500 0.019 0.000 1.230 1199 K HN 0.209 nan 8.250 nan 0.000 0.488 1200 F N 0.653 120.570 119.950 -0.055 0.000 2.410 1200 F HA 0.381 4.907 4.527 -0.000 0.000 0.349 1200 F C 0.202 176.009 175.800 0.012 0.000 1.117 1200 F CA -1.062 56.947 58.000 0.016 0.000 1.104 1200 F CB 1.086 40.129 39.000 0.072 0.000 1.122 1200 F HN -0.136 nan 8.300 nan 0.000 0.483 1201 V N 7.279 126.791 119.914 -0.670 0.000 2.350 1201 V HA 0.091 4.211 4.120 -0.000 0.000 0.276 1201 V C 1.131 176.743 176.094 -0.804 0.000 1.028 1201 V CA -0.445 61.573 62.300 -0.470 0.000 0.860 1201 V CB 0.869 32.575 31.823 -0.195 0.000 0.990 1201 V HN 0.856 nan 8.190 nan 0.000 0.453 1202 H N 5.625 124.428 119.070 -0.444 0.000 2.326 1202 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 1202 H C 1.681 176.899 175.328 -0.183 0.000 1.081 1202 H CA 2.287 58.211 56.048 -0.208 0.000 1.334 1202 H CB 0.361 30.153 29.762 0.051 0.000 1.385 1202 H HN 0.756 nan 8.280 nan 0.000 0.504 1203 R N -1.140 119.397 120.500 0.061 0.000 3.746 1203 R HA -0.185 4.155 4.340 -0.000 0.000 0.465 1203 R C -0.270 176.027 176.300 -0.004 0.000 0.725 1203 R CA 1.426 57.426 56.100 -0.166 0.000 1.545 1203 R CB -1.568 28.350 30.300 -0.637 0.000 2.197 1203 R HN 0.333 nan 8.270 nan 0.000 0.438 1204 D N 0.479 121.035 120.400 0.259 0.000 2.997 1204 D HA 0.180 4.820 4.640 -0.000 0.000 0.362 1204 D C -1.120 175.089 176.300 -0.152 0.000 1.298 1204 D CA -0.463 53.580 54.000 0.071 0.000 0.756 1204 D CB 0.346 41.175 40.800 0.047 0.000 1.216 1204 D HN 0.042 nan 8.370 nan 0.000 0.496 1205 L N 1.660 122.748 121.223 -0.225 0.000 2.418 1205 L HA 0.621 4.961 4.340 -0.000 0.000 0.274 1205 L C -0.497 176.320 176.870 -0.090 0.000 1.135 1205 L CA 0.335 54.993 54.840 -0.303 0.000 0.870 1205 L CB 0.370 42.401 42.059 -0.046 0.000 1.154 1205 L HN 0.260 nan 8.230 nan 0.000 0.462 1206 A N 3.891 126.642 122.820 -0.115 0.000 2.597 1206 A HA 0.666 4.986 4.320 -0.000 0.000 0.292 1206 A C 0.422 178.028 177.584 0.036 0.000 1.057 1206 A CA -0.162 51.831 52.037 -0.074 0.000 0.674 1206 A CB 0.251 18.857 19.000 -0.656 0.000 1.278 1206 A HN 1.049 nan 8.150 nan 0.000 0.416 1207 A N 0.309 123.227 122.820 0.163 0.000 1.978 1207 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 1207 A C 1.901 179.506 177.584 0.036 0.000 1.170 1207 A CA 2.387 54.497 52.037 0.122 0.000 0.636 1207 A CB -0.409 18.700 19.000 0.182 0.000 0.810 1207 A HN 1.016 nan 8.150 nan 0.000 0.448 1208 R N 0.499 120.999 120.500 -0.001 0.000 2.189 1208 R HA -0.014 4.326 4.340 -0.000 0.000 0.223 1208 R C 0.494 176.739 176.300 -0.091 0.000 1.092 1208 R CA 1.430 57.479 56.100 -0.085 0.000 0.989 1208 R CB -0.387 29.843 30.300 -0.117 0.000 0.876 1208 R HN 0.486 nan 8.270 nan 0.000 0.457 1209 N N -1.028 117.662 118.700 -0.016 0.000 2.235 1209 N HA 0.091 4.831 4.740 -0.000 0.000 0.209 1209 N C -0.934 174.616 175.510 0.067 0.000 1.122 1209 N CA 0.088 53.176 53.050 0.063 0.000 0.845 1209 N CB 0.267 38.806 38.487 0.087 0.000 1.004 1209 N HN 0.074 nan 8.380 nan 0.000 0.499 1210 C N 1.152 120.462 119.300 0.017 0.000 2.456 1210 C HA 0.587 5.047 4.460 -0.000 0.000 0.325 1210 C C 0.158 175.119 174.990 -0.048 0.000 1.217 1210 C CA -0.920 58.103 59.018 0.009 0.000 1.687 1210 C CB 1.170 28.914 27.740 0.006 0.000 2.270 1210 C HN 0.176 nan 8.230 nan 0.000 0.499 1211 M N 2.564 122.127 119.600 -0.063 0.000 2.705 1211 M HA 0.627 5.107 4.480 -0.000 0.000 0.311 1211 M C -0.719 175.477 176.300 -0.173 0.000 1.214 1211 M CA -0.700 54.529 55.300 -0.119 0.000 0.920 1211 M CB 1.233 33.765 32.600 -0.113 0.000 1.687 1211 M HN 0.498 nan 8.290 nan 0.000 0.481 1212 L N 2.102 123.193 121.223 -0.220 0.000 2.406 1212 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 1212 L C -0.819 175.915 176.870 -0.228 0.000 0.980 1212 L CA -0.586 54.085 54.840 -0.282 0.000 0.831 1212 L CB 1.924 43.692 42.059 -0.485 0.000 1.253 1212 L HN 0.772 nan 8.230 nan 0.000 0.406 1213 D N 2.715 122.995 120.400 -0.201 0.000 2.511 1213 D HA 0.047 4.687 4.640 -0.000 0.000 0.276 1213 D C 0.930 177.093 176.300 -0.229 0.000 1.220 1213 D CA -0.362 53.513 54.000 -0.208 0.000 1.077 1213 D CB 0.517 41.224 40.800 -0.154 0.000 1.126 1213 D HN 0.550 nan 8.370 nan 0.000 0.583 1214 E N 0.260 120.320 120.200 -0.234 0.000 2.265 1214 E HA -0.237 4.113 4.350 -0.000 0.000 0.196 1214 E C 0.786 177.180 176.600 -0.343 0.000 0.996 1214 E CA 1.106 57.347 56.400 -0.265 0.000 0.832 1214 E CB -0.330 29.284 29.700 -0.144 0.000 0.756 1214 E HN 0.530 nan 8.360 nan 0.000 0.491 1215 K N -0.101 120.165 120.400 -0.223 0.000 2.417 1215 K HA 0.116 4.436 4.320 -0.000 0.000 0.196 1215 K C -0.458 176.165 176.600 0.038 0.000 1.023 1215 K CA -0.051 56.189 56.287 -0.078 0.000 1.122 1215 K CB -0.242 32.260 32.500 0.004 0.000 0.850 1215 K HN 0.026 nan 8.250 nan 0.000 0.521 1216 F N 0.108 120.071 119.950 0.022 0.000 3.093 1216 F HA -0.260 4.267 4.527 -0.000 0.000 0.287 1216 F C -0.027 175.775 175.800 0.004 0.000 0.882 1216 F CA 0.339 58.320 58.000 -0.032 0.000 1.063 1216 F CB -2.591 36.430 39.000 0.036 0.000 1.097 1216 F HN -0.099 nan 8.300 nan 0.000 0.604 1217 T N 1.145 115.727 114.554 0.047 0.000 2.780 1217 T HA 0.524 4.874 4.350 -0.000 0.000 0.294 1217 T C 0.460 175.137 174.700 -0.039 0.000 0.949 1217 T CA -0.532 61.585 62.100 0.028 0.000 1.074 1217 T CB 1.548 70.415 68.868 -0.002 0.000 0.910 1217 T HN 0.035 nan 8.240 nan 0.000 0.501 1218 V N 5.440 125.343 119.914 -0.018 0.000 2.530 1218 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 1218 V C 0.247 176.331 176.094 -0.017 0.000 1.048 1218 V CA -0.464 61.798 62.300 -0.063 0.000 0.997 1218 V CB 0.673 32.478 31.823 -0.030 0.000 0.987 1218 V HN 0.659 nan 8.190 nan 0.000 0.477 1219 K N 4.020 124.405 120.400 -0.025 0.000 2.394 1219 K HA 0.456 4.776 4.320 -0.000 0.000 0.260 1219 K C -0.820 175.817 176.600 0.063 0.000 0.967 1219 K CA -0.723 55.579 56.287 0.025 0.000 0.855 1219 K CB 1.911 34.418 32.500 0.011 0.000 1.101 1219 K HN 0.399 nan 8.250 nan 0.000 0.433 1220 V N 2.582 122.555 119.914 0.097 0.000 2.540 1220 V HA 0.206 4.326 4.120 -0.000 0.000 0.297 1220 V C 0.750 177.037 176.094 0.322 0.000 1.024 1220 V CA 0.228 62.620 62.300 0.154 0.000 1.105 1220 V CB 0.463 32.343 31.823 0.095 0.000 0.938 1220 V HN 0.931 nan 8.190 nan 0.000 0.482 1221 A N 3.495 126.530 122.820 0.358 0.000 2.686 1221 A HA 0.704 5.024 4.320 -0.000 0.000 0.263 1221 A C 0.368 178.238 177.584 0.476 0.000 1.264 1221 A CA 0.034 52.286 52.037 0.359 0.000 0.799 1221 A CB 0.310 19.392 19.000 0.137 0.000 1.363 1221 A HN 0.863 nan 8.150 nan 0.000 0.507 1222 D N -1.929 118.598 120.400 0.212 0.000 2.689 1222 D HA -0.147 4.493 4.640 -0.000 0.000 0.237 1222 D C -0.421 175.985 176.300 0.178 0.000 1.148 1222 D CA 1.786 55.892 54.000 0.176 0.000 0.656 1222 D CB -1.637 39.325 40.800 0.269 0.000 1.050 1222 D HN 1.168 nan 8.370 nan 0.000 0.426 1223 F N -2.773 117.139 119.950 -0.064 0.000 2.662 1223 F HA 0.714 5.241 4.527 -0.000 0.000 0.312 1223 F C 1.183 176.892 175.800 -0.152 0.000 1.113 1223 F CA -0.042 57.875 58.000 -0.137 0.000 0.951 1223 F CB 0.920 39.809 39.000 -0.184 0.000 1.344 1223 F HN 0.178 nan 8.300 nan 0.000 0.462 1224 G N 1.259 109.982 108.800 -0.129 0.000 2.596 1224 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.295 1224 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.295 1224 G C 0.457 175.187 174.900 -0.282 0.000 1.240 1224 G CA 0.412 45.343 45.100 -0.283 0.000 0.985 1224 G HN 1.071 nan 8.290 nan 0.000 0.555 1225 L N 1.299 122.325 121.223 -0.328 0.000 2.551 1225 L HA 0.256 4.596 4.340 -0.000 0.000 0.228 1225 L C 2.901 179.642 176.870 -0.215 0.000 1.153 1225 L CA 1.093 55.806 54.840 -0.212 0.000 0.851 1225 L CB -0.429 41.500 42.059 -0.217 0.000 0.959 1225 L HN 0.683 nan 8.230 nan 0.000 0.451 1226 A N 0.589 123.195 122.820 -0.357 0.000 2.307 1226 A HA 0.070 4.390 4.320 -0.000 0.000 0.218 1226 A C 1.132 178.589 177.584 -0.211 0.000 1.228 1226 A CA -0.419 51.443 52.037 -0.292 0.000 0.857 1226 A CB -0.371 18.397 19.000 -0.386 0.000 0.897 1226 A HN 0.422 nan 8.150 nan 0.000 0.495 1227 R N -0.321 120.070 120.500 -0.183 0.000 2.801 1227 R HA 0.216 4.556 4.340 -0.000 0.000 0.273 1227 R C -0.924 175.282 176.300 -0.157 0.000 1.080 1227 R CA 0.077 56.097 56.100 -0.132 0.000 1.197 1227 R CB -0.061 30.182 30.300 -0.094 0.000 1.109 1227 R HN 0.106 nan 8.270 nan 0.000 0.535 1228 D N 0.679 120.948 120.400 -0.217 0.000 2.697 1228 D HA -0.180 4.460 4.640 -0.000 0.000 0.238 1228 D C 0.321 176.324 176.300 -0.495 0.000 1.152 1228 D CA 1.199 55.029 54.000 -0.283 0.000 0.666 1228 D CB -0.673 40.081 40.800 -0.077 0.000 1.037 1228 D HN 0.651 nan 8.370 nan 0.000 0.423 1229 M N -1.062 118.200 119.600 -0.562 0.000 2.371 1229 M HA 0.047 4.527 4.480 -0.000 0.000 0.246 1229 M C 0.525 176.278 176.300 -0.912 0.000 1.103 1229 M CA 0.333 55.240 55.300 -0.656 0.000 1.010 1229 M CB 0.206 32.669 32.600 -0.228 0.000 1.457 1229 M HN 0.294 nan 8.290 nan 0.000 0.486 1246 P HA 0.070 nan 4.420 nan 0.000 0.220 1246 P C 0.883 178.391 177.300 0.346 0.000 1.806 1246 P CA -0.233 62.993 63.100 0.211 0.000 0.976 1246 P CB 0.271 32.023 31.700 0.087 0.000 1.952 1247 V N -0.122 119.936 119.914 0.240 0.000 2.469 1247 V HA -0.220 3.900 4.120 -0.000 0.000 0.251 1247 V C 1.853 178.036 176.094 0.148 0.000 1.064 1247 V CA 1.266 63.653 62.300 0.146 0.000 1.066 1247 V CB -1.162 30.688 31.823 0.046 0.000 0.667 1247 V HN 0.153 nan 8.190 nan 0.000 0.461 1248 K N -1.072 119.477 120.400 0.249 0.000 2.432 1248 K HA 0.009 4.329 4.320 -0.000 0.000 0.196 1248 K C 1.602 178.239 176.600 0.062 0.000 1.038 1248 K CA 1.146 57.476 56.287 0.073 0.000 0.986 1248 K CB -0.098 32.360 32.500 -0.070 0.000 0.782 1248 K HN 0.679 nan 8.250 nan 0.000 0.485 1249 W N 0.331 121.748 121.300 0.195 0.000 3.127 1249 W HA 0.255 4.915 4.660 -0.000 0.000 0.344 1249 W C 0.234 176.917 176.519 0.274 0.000 1.151 1249 W CA -0.460 57.056 57.345 0.285 0.000 1.765 1249 W CB 0.277 29.884 29.460 0.246 0.000 1.085 1249 W HN -0.030 nan 8.180 nan 0.000 0.596 1250 M N 0.545 120.302 119.600 0.262 0.000 2.249 1250 M HA 0.385 4.865 4.480 -0.000 0.000 0.351 1250 M C 0.659 176.558 176.300 -0.667 0.000 1.180 1250 M CA -0.229 55.056 55.300 -0.024 0.000 1.127 1250 M CB 1.275 33.872 32.600 -0.006 0.000 1.546 1250 M HN -0.252 nan 8.290 nan 0.000 0.461 1251 A N 2.865 125.166 122.820 -0.865 0.000 2.425 1251 A HA 0.164 4.484 4.320 -0.000 0.000 0.242 1251 A C 1.114 178.089 177.584 -1.015 0.000 1.077 1251 A CA -0.332 50.808 52.037 -1.495 0.000 0.781 1251 A CB 0.170 18.832 19.000 -0.562 0.000 1.020 1251 A HN 1.080 nan 8.150 nan 0.000 0.494 1252 L N 0.513 121.088 121.223 -1.081 0.000 2.013 1252 L HA -0.217 4.123 4.340 -0.000 0.000 0.212 1252 L C 2.866 179.542 176.870 -0.323 0.000 1.073 1252 L CA 2.240 56.776 54.840 -0.506 0.000 0.753 1252 L CB -0.330 41.562 42.059 -0.280 0.000 0.890 1252 L HN 1.040 nan 8.230 nan 0.000 0.432 1253 E N -0.821 119.214 120.200 -0.275 0.000 2.150 1253 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 1253 E C 1.929 178.378 176.600 -0.251 0.000 0.985 1253 E CA 1.573 57.856 56.400 -0.195 0.000 0.814 1253 E CB -0.333 29.291 29.700 -0.126 0.000 0.752 1253 E HN 0.375 nan 8.360 nan 0.000 0.466 1254 S N 1.274 116.766 115.700 -0.347 0.000 2.383 1254 S HA 0.024 4.494 4.470 -0.000 0.000 0.227 1254 S C 2.152 176.519 174.600 -0.389 0.000 1.026 1254 S CA 0.792 58.702 58.200 -0.483 0.000 0.981 1254 S CB -0.269 62.522 63.200 -0.682 0.000 0.818 1254 S HN 0.198 nan 8.310 nan 0.000 0.472 1255 L N 1.149 122.186 121.223 -0.310 0.000 2.083 1255 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 1255 L C 2.643 179.413 176.870 -0.167 0.000 1.083 1255 L CA 1.291 56.003 54.840 -0.214 0.000 0.752 1255 L CB -0.444 41.493 42.059 -0.204 0.000 0.899 1255 L HN 0.355 nan 8.230 nan 0.000 0.433 1256 Q N -1.158 118.539 119.800 -0.171 0.000 2.163 1256 Q HA -0.104 4.236 4.340 -0.000 0.000 0.198 1256 Q C 1.939 177.871 176.000 -0.114 0.000 0.954 1256 Q CA 1.831 57.560 55.803 -0.124 0.000 0.851 1256 Q CB 0.152 28.823 28.738 -0.111 0.000 0.928 1256 Q HN 0.580 nan 8.270 nan 0.000 0.459 1257 T N -3.785 110.681 114.554 -0.146 0.000 3.003 1257 T HA 0.085 4.435 4.350 -0.000 0.000 0.261 1257 T C 0.467 175.086 174.700 -0.135 0.000 1.003 1257 T CA -0.250 61.777 62.100 -0.122 0.000 0.917 1257 T CB 0.597 69.397 68.868 -0.115 0.000 1.084 1257 T HN 0.061 nan 8.240 nan 0.000 0.522 1258 Q N 0.280 119.958 119.800 -0.202 0.000 2.406 1258 Q HA -0.157 4.183 4.340 -0.000 0.000 0.236 1258 Q C -0.638 175.224 176.000 -0.231 0.000 0.799 1258 Q CA 1.135 56.820 55.803 -0.195 0.000 1.286 1258 Q CB -1.881 26.837 28.738 -0.034 0.000 1.615 1258 Q HN 0.683 nan 8.270 nan 0.000 0.621 1259 K N 0.278 120.494 120.400 -0.307 0.000 2.156 1259 K HA 0.637 4.957 4.320 -0.000 0.000 0.271 1259 K C -0.279 176.096 176.600 -0.374 0.000 0.995 1259 K CA -0.255 55.924 56.287 -0.180 0.000 0.890 1259 K CB 0.709 33.151 32.500 -0.097 0.000 1.073 1259 K HN -0.146 nan 8.250 nan 0.000 0.454 1260 F N 0.555 120.496 119.950 -0.015 0.000 2.508 1260 F HA 0.373 4.900 4.527 -0.000 0.000 0.325 1260 F C 0.746 176.542 175.800 -0.006 0.000 1.090 1260 F CA -0.606 57.391 58.000 -0.006 0.000 0.945 1260 F CB 2.127 41.124 39.000 -0.005 0.000 1.156 1260 F HN 0.546 nan 8.300 nan 0.000 0.463 1261 T N -2.947 111.714 114.554 0.177 0.000 2.838 1261 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 1261 T C 0.589 175.373 174.700 0.139 0.000 1.113 1261 T CA -0.596 61.572 62.100 0.114 0.000 1.008 1261 T CB 1.392 70.301 68.868 0.068 0.000 1.259 1261 T HN 0.416 nan 8.240 nan 0.000 0.520 1262 T N 0.828 115.450 114.554 0.114 0.000 2.833 1262 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 1262 T C 1.785 176.578 174.700 0.156 0.000 1.054 1262 T CA 0.955 63.156 62.100 0.169 0.000 1.135 1262 T CB -0.273 68.684 68.868 0.149 0.000 0.869 1262 T HN 0.454 nan 8.240 nan 0.000 0.466 1263 K N 1.643 122.099 120.400 0.094 0.000 2.211 1263 K HA 0.005 4.325 4.320 -0.000 0.000 0.203 1263 K C 2.664 179.367 176.600 0.170 0.000 1.050 1263 K CA 1.228 57.562 56.287 0.079 0.000 0.945 1263 K CB -0.577 31.956 32.500 0.055 0.000 0.732 1263 K HN 0.560 nan 8.250 nan 0.000 0.451 1264 S N 0.675 116.487 115.700 0.188 0.000 2.436 1264 S HA -0.067 4.403 4.470 -0.000 0.000 0.228 1264 S C 1.437 176.257 174.600 0.367 0.000 1.014 1264 S CA 0.688 59.034 58.200 0.244 0.000 0.950 1264 S CB -0.022 63.255 63.200 0.127 0.000 0.784 1264 S HN 0.088 nan 8.310 nan 0.000 0.504 1265 D N 1.804 122.418 120.400 0.358 0.000 2.144 1265 D HA -0.029 4.611 4.640 -0.000 0.000 0.199 1265 D C 2.041 178.669 176.300 0.547 0.000 0.984 1265 D CA 0.840 55.115 54.000 0.458 0.000 0.834 1265 D CB -0.450 40.641 40.800 0.485 0.000 0.955 1265 D HN 0.315 nan 8.370 nan 0.000 0.465 1266 V N 0.739 120.829 119.914 0.293 0.000 2.343 1266 V HA -0.198 3.922 4.120 -0.000 0.000 0.247 1266 V C 2.177 178.481 176.094 0.351 0.000 1.051 1266 V CA 1.235 63.571 62.300 0.060 0.000 1.036 1266 V CB -0.436 31.232 31.823 -0.258 0.000 0.654 1266 V HN 0.384 nan 8.190 nan 0.000 0.451 1267 W N 1.219 122.669 121.300 0.250 0.000 2.317 1267 W HA -0.240 4.420 4.660 -0.000 0.000 0.318 1267 W C 2.575 179.392 176.519 0.497 0.000 1.227 1267 W CA 2.350 59.938 57.345 0.405 0.000 1.269 1267 W CB -0.738 28.930 29.460 0.347 0.000 1.155 1267 W HN 0.325 nan 8.180 nan 0.000 0.484 1268 S N 0.443 116.635 115.700 0.822 0.000 2.383 1268 S HA -0.245 4.225 4.470 -0.000 0.000 0.229 1268 S C 1.612 176.597 174.600 0.641 0.000 1.030 1268 S CA 1.643 60.294 58.200 0.752 0.000 1.002 1268 S CB -1.064 62.504 63.200 0.612 0.000 0.829 1268 S HN 0.364 nan 8.310 nan 0.000 0.467 1269 F N 2.441 122.660 119.950 0.448 0.000 2.134 1269 F HA -0.033 4.494 4.527 -0.000 0.000 0.299 1269 F C 2.289 178.250 175.800 0.269 0.000 1.097 1269 F CA 1.249 59.468 58.000 0.366 0.000 1.264 1269 F CB -0.787 38.479 39.000 0.444 0.000 1.001 1269 F HN 0.239 nan 8.300 nan 0.000 0.479 1270 G N 0.069 108.924 108.800 0.091 0.000 2.440 1270 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 1270 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 1270 G C 1.663 176.703 174.900 0.234 0.000 1.154 1270 G CA 1.281 46.269 45.100 -0.187 0.000 0.767 1270 G HN 0.345 nan 8.290 nan 0.000 0.552 1271 V N 0.833 121.048 119.914 0.501 0.000 2.358 1271 V HA -0.105 4.015 4.120 -0.000 0.000 0.246 1271 V C 2.666 178.947 176.094 0.312 0.000 1.047 1271 V CA 1.548 64.052 62.300 0.339 0.000 1.035 1271 V CB -0.448 31.393 31.823 0.031 0.000 0.658 1271 V HN 0.408 nan 8.190 nan 0.000 0.452 1272 L N -0.577 120.833 121.223 0.312 0.000 2.042 1272 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 1272 L C 2.343 179.265 176.870 0.087 0.000 1.076 1272 L CA 1.674 56.664 54.840 0.251 0.000 0.749 1272 L CB -0.186 42.001 42.059 0.213 0.000 0.893 1272 L HN 0.246 nan 8.230 nan 0.000 0.432 1273 L N -1.573 119.574 121.223 -0.125 0.000 2.042 1273 L HA -0.273 4.067 4.340 -0.000 0.000 0.210 1273 L C 2.353 179.278 176.870 0.092 0.000 1.076 1273 L CA 1.885 56.658 54.840 -0.112 0.000 0.749 1273 L CB -0.709 41.196 42.059 -0.257 0.000 0.893 1273 L HN 0.510 nan 8.230 nan 0.000 0.432 1274 W N 1.362 122.680 121.300 0.029 0.000 2.358 1274 W HA -0.201 4.459 4.660 -0.000 0.000 0.303 1274 W C 2.443 179.000 176.519 0.063 0.000 1.208 1274 W CA 1.691 59.087 57.345 0.085 0.000 1.274 1274 W CB 0.040 29.583 29.460 0.139 0.000 1.138 1274 W HN 0.100 nan 8.180 nan 0.000 0.515 1275 E N 0.172 120.589 120.200 0.362 0.000 2.085 1275 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 1275 E C 2.180 178.824 176.600 0.073 0.000 0.994 1275 E CA 1.767 58.302 56.400 0.225 0.000 0.801 1275 E CB -0.713 29.187 29.700 0.333 0.000 0.743 1275 E HN 0.364 nan 8.360 nan 0.000 0.453 1276 L N 0.266 121.544 121.223 0.091 0.000 2.012 1276 L HA -0.206 4.134 4.340 -0.000 0.000 0.210 1276 L C 2.455 179.325 176.870 -0.000 0.000 1.073 1276 L CA 0.858 55.749 54.840 0.084 0.000 0.748 1276 L CB -0.285 41.839 42.059 0.109 0.000 0.891 1276 L HN 0.240 nan 8.230 nan 0.000 0.431 1277 M N -0.839 118.717 119.600 -0.074 0.000 2.492 1277 M HA -0.044 4.436 4.480 -0.000 0.000 0.262 1277 M C 2.127 178.323 176.300 -0.174 0.000 1.090 1277 M CA 1.335 56.567 55.300 -0.114 0.000 1.110 1277 M CB -1.426 31.109 32.600 -0.109 0.000 1.407 1277 M HN 0.370 nan 8.290 nan 0.000 0.470 1278 T N -3.004 111.373 114.554 -0.295 0.000 3.107 1278 T HA 0.199 4.549 4.350 -0.000 0.000 0.249 1278 T C 0.765 175.404 174.700 -0.100 0.000 1.096 1278 T CA -0.286 61.647 62.100 -0.279 0.000 1.012 1278 T CB -0.150 68.361 68.868 -0.595 0.000 0.977 1278 T HN 0.435 nan 8.240 nan 0.000 0.527 1279 R N 0.711 121.178 120.500 -0.055 0.000 3.333 1279 R HA -0.148 4.192 4.340 -0.000 0.000 0.256 1279 R C 0.998 177.321 176.300 0.038 0.000 1.010 1279 R CA 0.381 56.488 56.100 0.011 0.000 0.680 1279 R CB -2.318 27.982 30.300 0.001 0.000 1.102 1279 R HN 0.925 nan 8.270 nan 0.000 0.440 1280 G N -1.735 107.094 108.800 0.048 0.000 2.142 1280 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.225 1280 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.225 1280 G C 0.270 175.238 174.900 0.114 0.000 1.015 1280 G CA 0.135 45.297 45.100 0.104 0.000 0.716 1280 G HN 0.867 nan 8.290 nan 0.000 0.508 1281 A N 0.653 123.517 122.820 0.074 0.000 2.466 1281 A HA 0.616 4.936 4.320 -0.000 0.000 0.238 1281 A C -0.992 176.719 177.584 0.212 0.000 1.074 1281 A CA -0.265 51.835 52.037 0.106 0.000 0.774 1281 A CB 0.211 19.225 19.000 0.024 0.000 1.015 1281 A HN 0.346 nan 8.150 nan 0.000 0.498 1282 P HA 0.245 nan 4.420 nan 0.000 0.271 1282 P C -2.724 174.572 177.300 -0.007 0.000 1.220 1282 P CA -1.310 61.861 63.100 0.117 0.000 0.768 1282 P CB -0.032 31.711 31.700 0.072 0.000 0.848 1283 P HA -0.027 nan 4.420 nan 0.000 0.266 1283 P C -0.655 176.305 177.300 -0.567 0.000 1.195 1283 P CA 0.538 63.154 63.100 -0.807 0.000 0.768 1283 P CB -0.331 30.775 31.700 -0.989 0.000 0.838 1284 Y N 0.021 119.892 120.300 -0.714 0.000 3.057 1284 Y HA -0.196 4.354 4.550 -0.000 0.000 0.192 1284 Y C -1.200 174.480 175.900 -0.367 0.000 1.448 1284 Y CA -0.691 57.092 58.100 -0.528 0.000 1.065 1284 Y CB -2.731 35.381 38.460 -0.581 0.000 1.369 1284 Y HN 0.421 nan 8.280 nan 0.000 0.460 1292 I N 1.696 122.174 120.570 -0.152 0.000 2.315 1292 I HA -0.145 4.025 4.170 -0.000 0.000 0.248 1292 I C 1.955 177.993 176.117 -0.132 0.000 1.117 1292 I CA 1.864 63.028 61.300 -0.226 0.000 1.404 1292 I CB -0.240 37.559 38.000 -0.335 0.000 1.071 1292 I HN -0.045 nan 8.210 nan 0.000 0.419 1293 T N -0.423 114.068 114.554 -0.105 0.000 2.746 1293 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 1293 T C 2.047 176.717 174.700 -0.050 0.000 1.039 1293 T CA 1.731 63.778 62.100 -0.088 0.000 1.142 1293 T CB -0.564 68.252 68.868 -0.086 0.000 0.866 1293 T HN 0.183 nan 8.240 nan 0.000 0.444 1294 V N 0.475 120.370 119.914 -0.031 0.000 2.343 1294 V HA -0.172 3.948 4.120 -0.000 0.000 0.247 1294 V C 2.038 178.134 176.094 0.004 0.000 1.051 1294 V CA 1.580 63.872 62.300 -0.014 0.000 1.036 1294 V CB -0.708 31.111 31.823 -0.007 0.000 0.654 1294 V HN 0.508 nan 8.190 nan 0.000 0.451 1295 Y N 0.403 120.632 120.300 -0.118 0.000 2.145 1295 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 1295 Y C 2.232 178.066 175.900 -0.109 0.000 1.145 1295 Y CA 1.727 59.753 58.100 -0.123 0.000 1.148 1295 Y CB -0.217 38.130 38.460 -0.188 0.000 0.981 1295 Y HN 0.131 nan 8.280 nan 0.000 0.507 1296 L N -0.786 120.434 121.223 -0.006 0.000 2.046 1296 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 1296 L C 2.097 178.925 176.870 -0.070 0.000 1.077 1296 L CA 0.683 55.496 54.840 -0.043 0.000 0.747 1296 L CB -0.599 41.471 42.059 0.018 0.000 0.896 1296 L HN 0.258 nan 8.230 nan 0.000 0.432 1297 L N -0.367 120.820 121.223 -0.060 0.000 2.465 1297 L HA -0.131 4.209 4.340 -0.000 0.000 0.224 1297 L C 2.339 179.167 176.870 -0.070 0.000 1.145 1297 L CA 1.394 56.204 54.840 -0.051 0.000 0.834 1297 L CB -0.872 41.162 42.059 -0.042 0.000 0.944 1297 L HN 0.317 nan 8.230 nan 0.000 0.451 1298 Q N -0.429 119.302 119.800 -0.115 0.000 2.364 1298 Q HA 0.088 4.428 4.340 -0.000 0.000 0.207 1298 Q C 0.955 176.882 176.000 -0.121 0.000 0.970 1298 Q CA 0.735 56.462 55.803 -0.126 0.000 0.888 1298 Q CB 0.053 28.684 28.738 -0.178 0.000 0.951 1298 Q HN 0.547 nan 8.270 nan 0.000 0.469 1299 G N 0.798 109.526 108.800 -0.120 0.000 2.327 1299 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.159 1299 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.159 1299 G C -0.637 174.198 174.900 -0.107 0.000 1.056 1299 G CA -0.642 44.407 45.100 -0.086 0.000 0.751 1299 G HN 0.096 nan 8.290 nan 0.000 0.488 1300 R N -0.501 119.909 120.500 -0.149 0.000 2.807 1300 R HA 0.869 5.209 4.340 -0.000 0.000 0.276 1300 R C -0.214 176.056 176.300 -0.050 0.000 0.979 1300 R CA -1.048 54.953 56.100 -0.166 0.000 0.928 1300 R CB 1.731 31.736 30.300 -0.491 0.000 1.191 1300 R HN 0.151 nan 8.270 nan 0.000 0.471 1301 R N 1.045 121.546 120.500 0.002 0.000 2.855 1301 R HA 0.418 4.758 4.340 -0.000 0.000 0.266 1301 R C -0.554 175.719 176.300 -0.045 0.000 1.034 1301 R CA -1.216 54.852 56.100 -0.055 0.000 0.944 1301 R CB 0.918 31.218 30.300 -0.001 0.000 1.219 1301 R HN 0.434 nan 8.270 nan 0.000 0.474 1302 L N 2.124 123.103 121.223 -0.407 0.000 2.559 1302 L HA 0.047 4.387 4.340 -0.000 0.000 0.282 1302 L C 0.537 177.484 176.870 0.129 0.000 1.232 1302 L CA 0.308 54.850 54.840 -0.496 0.000 0.885 1302 L CB -0.063 41.245 42.059 -1.252 0.000 1.131 1302 L HN 0.231 nan 8.230 nan 0.000 0.498 1303 L N 2.909 124.267 121.223 0.224 0.000 2.436 1303 L HA 0.151 4.491 4.340 -0.000 0.000 0.265 1303 L C 0.586 177.598 176.870 0.238 0.000 1.168 1303 L CA -0.274 54.725 54.840 0.266 0.000 0.815 1303 L CB 0.383 42.574 42.059 0.219 0.000 1.109 1303 L HN 0.625 nan 8.230 nan 0.000 0.462 1304 Q N 2.919 122.496 119.800 -0.371 0.000 2.255 1304 Q HA 0.122 4.462 4.340 -0.000 0.000 0.280 1304 Q C -2.202 173.664 176.000 -0.223 0.000 1.068 1304 Q CA -1.344 54.022 55.803 -0.727 0.000 0.911 1304 Q CB 0.680 28.729 28.738 -1.148 0.000 1.157 1304 Q HN 0.265 nan 8.270 nan 0.000 0.380 1305 P HA -0.076 nan 4.420 nan 0.000 0.267 1305 P C -0.194 176.984 177.300 -0.204 0.000 1.200 1305 P CA 0.208 63.194 63.100 -0.191 0.000 0.772 1305 P CB 0.629 32.159 31.700 -0.284 0.000 0.855 1306 E N 0.957 121.010 120.200 -0.245 0.000 2.114 1306 E HA -0.239 4.111 4.350 -0.000 0.000 0.199 1306 E C 0.528 176.828 176.600 -0.499 0.000 1.008 1306 E CA 1.705 57.864 56.400 -0.403 0.000 0.810 1306 E CB -0.369 29.007 29.700 -0.540 0.000 0.739 1306 E HN 0.589 nan 8.360 nan 0.000 0.456 1307 Y N -0.849 119.364 120.300 -0.145 0.000 2.485 1307 Y HA 0.173 4.723 4.550 -0.000 0.000 0.260 1307 Y C 0.557 176.372 175.900 -0.142 0.000 1.173 1307 Y CA -0.684 57.331 58.100 -0.142 0.000 1.252 1307 Y CB 0.441 38.810 38.460 -0.151 0.000 1.123 1307 Y HN 0.018 nan 8.280 nan 0.000 0.524 1308 C N 4.084 123.359 119.300 -0.043 0.000 2.482 1308 C HA 0.351 4.811 4.460 -0.000 0.000 0.378 1308 C C -2.061 172.927 174.990 -0.004 0.000 1.284 1308 C CA -2.319 56.681 59.018 -0.032 0.000 1.826 1308 C CB -0.427 27.295 27.740 -0.030 0.000 2.473 1308 C HN 0.188 nan 8.230 nan 0.000 0.562 1309 P HA 0.111 nan 4.420 nan 0.000 0.266 1309 P C 0.416 177.785 177.300 0.115 0.000 1.195 1309 P CA 0.311 63.479 63.100 0.113 0.000 0.768 1309 P CB 0.594 32.439 31.700 0.241 0.000 0.838 1310 D N 4.036 124.499 120.400 0.104 0.000 2.116 1310 D HA -0.161 4.478 4.640 -0.000 0.000 0.193 1310 D C -0.590 175.789 176.300 0.132 0.000 0.998 1310 D CA 1.997 56.069 54.000 0.120 0.000 0.836 1310 D CB -1.870 38.980 40.800 0.083 0.000 0.951 1310 D HN 0.433 nan 8.370 nan 0.000 0.449 1311 P HA -0.101 nan 4.420 nan 0.000 0.218 1311 P C 1.800 179.150 177.300 0.084 0.000 1.149 1311 P CA 0.700 63.853 63.100 0.089 0.000 0.817 1311 P CB 0.071 31.828 31.700 0.094 0.000 0.785 1312 L N -1.720 119.570 121.223 0.110 0.000 2.179 1312 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 1312 L C 2.637 179.552 176.870 0.075 0.000 1.096 1312 L CA 1.330 56.220 54.840 0.082 0.000 0.779 1312 L CB -1.275 40.833 42.059 0.083 0.000 0.922 1312 L HN -0.166 nan 8.230 nan 0.000 0.443 1313 Y N 0.163 120.452 120.300 -0.017 0.000 2.242 1313 Y HA -0.252 4.297 4.550 -0.000 0.000 0.291 1313 Y C 2.337 178.191 175.900 -0.076 0.000 1.137 1313 Y CA 1.716 59.797 58.100 -0.030 0.000 1.181 1313 Y CB 0.193 38.667 38.460 0.023 0.000 0.989 1313 Y HN 0.308 nan 8.280 nan 0.000 0.527 1314 E N -0.690 119.471 120.200 -0.067 0.000 2.077 1314 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 1314 E C 2.163 178.640 176.600 -0.206 0.000 0.989 1314 E CA 1.577 57.890 56.400 -0.146 0.000 0.800 1314 E CB -0.197 29.480 29.700 -0.038 0.000 0.746 1314 E HN 0.300 nan 8.360 nan 0.000 0.452 1315 V N 1.144 120.965 119.914 -0.155 0.000 2.343 1315 V HA -0.301 3.819 4.120 -0.000 0.000 0.247 1315 V C 2.253 178.130 176.094 -0.362 0.000 1.051 1315 V CA 1.732 63.929 62.300 -0.171 0.000 1.036 1315 V CB -0.391 31.394 31.823 -0.063 0.000 0.654 1315 V HN 0.325 nan 8.190 nan 0.000 0.451 1316 M N -0.749 118.542 119.600 -0.514 0.000 2.080 1316 M HA -0.209 4.271 4.480 -0.000 0.000 0.260 1316 M C 2.177 177.625 176.300 -1.420 0.000 1.068 1316 M CA 2.001 56.667 55.300 -1.057 0.000 1.109 1316 M CB -0.556 31.463 32.600 -0.968 0.000 1.342 1316 M HN 0.263 nan 8.290 nan 0.000 0.405 1317 L N -0.186 120.497 121.223 -0.900 0.000 2.083 1317 L HA -0.232 4.108 4.340 -0.000 0.000 0.209 1317 L C 2.395 179.046 176.870 -0.365 0.000 1.083 1317 L CA 1.355 55.874 54.840 -0.534 0.000 0.752 1317 L CB -0.711 41.107 42.059 -0.402 0.000 0.899 1317 L HN 0.314 nan 8.230 nan 0.000 0.433 1318 K N -0.630 119.577 120.400 -0.322 0.000 2.097 1318 K HA -0.133 4.187 4.320 -0.000 0.000 0.205 1318 K C 2.162 178.657 176.600 -0.176 0.000 1.050 1318 K CA 1.447 57.640 56.287 -0.157 0.000 0.938 1318 K CB -0.335 32.097 32.500 -0.114 0.000 0.718 1318 K HN 0.342 nan 8.250 nan 0.000 0.442 1319 C N -0.064 119.006 119.300 -0.384 0.000 2.419 1319 C HA -0.089 4.371 4.460 -0.000 0.000 0.281 1319 C C 1.325 176.130 174.990 -0.308 0.000 1.336 1319 C CA 0.165 58.963 59.018 -0.366 0.000 1.770 1319 C CB -0.771 26.657 27.740 -0.518 0.000 1.929 1319 C HN 0.569 nan 8.230 nan 0.000 0.509 1320 W N 0.041 121.098 121.300 -0.405 0.000 3.067 1320 W HA 0.293 4.953 4.660 -0.000 0.000 0.417 1320 W C 0.878 177.248 176.519 -0.249 0.000 1.029 1320 W CA -0.887 55.963 57.345 -0.826 0.000 1.992 1320 W CB -1.603 27.158 29.460 -1.166 0.000 1.122 1320 W HN 0.415 nan 8.180 nan 0.000 0.681 1321 H N 3.587 122.691 119.070 0.056 0.000 3.034 1321 H HA -0.022 4.534 4.556 -0.000 0.000 0.324 1321 H C -1.178 174.286 175.328 0.227 0.000 1.015 1321 H CA -0.329 55.779 56.048 0.100 0.000 1.429 1321 H CB 1.354 31.145 29.762 0.049 0.000 1.429 1321 H HN -0.122 nan 8.280 nan 0.000 0.585 1322 P HA -0.101 nan 4.420 nan 0.000 0.219 1322 P C -0.315 177.186 177.300 0.335 0.000 1.146 1322 P CA 1.388 64.677 63.100 0.315 0.000 0.808 1322 P CB 0.302 32.090 31.700 0.148 0.000 0.779 1323 K N -0.130 120.568 120.400 0.496 0.000 2.281 1323 K HA 0.464 4.784 4.320 -0.000 0.000 0.272 1323 K C 1.215 177.869 176.600 0.091 0.000 1.048 1323 K CA -0.323 56.084 56.287 0.201 0.000 0.898 1323 K CB 1.161 33.715 32.500 0.090 0.000 1.128 1323 K HN -0.174 nan 8.250 nan 0.000 0.460 1324 A N 3.674 126.548 122.820 0.090 0.000 1.917 1324 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 1324 A C 1.519 179.101 177.584 -0.003 0.000 1.182 1324 A CA 1.756 53.836 52.037 0.072 0.000 0.633 1324 A CB -0.315 18.718 19.000 0.056 0.000 0.819 1324 A HN 0.794 nan 8.150 nan 0.000 0.448 1325 E N -0.349 119.828 120.200 -0.039 0.000 2.268 1325 E HA -0.075 4.275 4.350 -0.000 0.000 0.195 1325 E C 1.540 178.064 176.600 -0.127 0.000 0.995 1325 E CA 0.910 57.270 56.400 -0.067 0.000 0.836 1325 E CB -0.334 29.332 29.700 -0.056 0.000 0.763 1325 E HN 0.518 nan 8.360 nan 0.000 0.491 1326 M N 0.510 119.967 119.600 -0.239 0.000 2.556 1326 M HA 0.131 4.611 4.480 -0.000 0.000 0.245 1326 M C 0.251 176.383 176.300 -0.280 0.000 1.128 1326 M CA 0.284 55.351 55.300 -0.389 0.000 1.069 1326 M CB -0.256 31.776 32.600 -0.948 0.000 1.469 1326 M HN -0.039 nan 8.290 nan 0.000 0.494 1327 R N 1.804 122.216 120.500 -0.147 0.000 2.643 1327 R HA 0.163 4.503 4.340 -0.000 0.000 0.270 1327 R C -2.126 174.113 176.300 -0.102 0.000 1.061 1327 R CA -1.312 54.748 56.100 -0.067 0.000 1.107 1327 R CB -0.357 29.943 30.300 -0.001 0.000 0.999 1327 R HN 0.039 nan 8.270 nan 0.000 0.460 1328 P HA -0.025 nan 4.420 nan 0.000 0.271 1328 P C -0.412 176.770 177.300 -0.197 0.000 1.218 1328 P CA -0.227 62.797 63.100 -0.127 0.000 0.780 1328 P CB 0.868 32.502 31.700 -0.110 0.000 0.901 1329 S N 1.364 116.969 115.700 -0.157 0.000 2.600 1329 S HA 0.135 4.605 4.470 -0.000 0.000 0.265 1329 S C 1.050 175.510 174.600 -0.233 0.000 1.325 1329 S CA -0.229 57.864 58.200 -0.178 0.000 1.002 1329 S CB -0.179 62.980 63.200 -0.069 0.000 0.921 1329 S HN 0.218 nan 8.310 nan 0.000 0.554 1330 F N 1.137 121.030 119.950 -0.095 0.000 2.161 1330 F HA -0.055 4.472 4.527 -0.000 0.000 0.300 1330 F C 3.037 178.763 175.800 -0.123 0.000 1.089 1330 F CA 1.505 59.408 58.000 -0.163 0.000 1.282 1330 F CB -1.061 37.826 39.000 -0.188 0.000 1.010 1330 F HN 0.736 nan 8.300 nan 0.000 0.485 1331 S N -0.323 115.424 115.700 0.078 0.000 2.359 1331 S HA -0.283 4.187 4.470 -0.000 0.000 0.224 1331 S C 2.190 176.799 174.600 0.015 0.000 1.035 1331 S CA 1.761 59.983 58.200 0.037 0.000 1.018 1331 S CB -0.418 62.795 63.200 0.023 0.000 0.876 1331 S HN 0.560 nan 8.310 nan 0.000 0.448 1332 E N 0.116 120.310 120.200 -0.009 0.000 2.110 1332 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 1332 E C 2.106 178.703 176.600 -0.005 0.000 0.988 1332 E CA 1.147 57.538 56.400 -0.014 0.000 0.804 1332 E CB -0.218 29.461 29.700 -0.035 0.000 0.745 1332 E HN 0.566 nan 8.360 nan 0.000 0.458 1333 L N 0.160 121.370 121.223 -0.022 0.000 2.046 1333 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 1333 L C 2.523 179.421 176.870 0.047 0.000 1.077 1333 L CA 0.730 55.575 54.840 0.010 0.000 0.747 1333 L CB -0.321 41.708 42.059 -0.050 0.000 0.896 1333 L HN 0.107 nan 8.230 nan 0.000 0.432 1334 V N -1.058 118.875 119.914 0.032 0.000 2.343 1334 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 1334 V C 2.695 178.817 176.094 0.047 0.000 1.051 1334 V CA 2.035 64.358 62.300 0.038 0.000 1.036 1334 V CB -0.375 31.465 31.823 0.028 0.000 0.654 1334 V HN 0.472 nan 8.190 nan 0.000 0.451 1335 S N -0.391 115.333 115.700 0.040 0.000 2.348 1335 S HA -0.232 4.237 4.470 -0.000 0.000 0.221 1335 S C 2.199 176.833 174.600 0.056 0.000 1.033 1335 S CA 1.796 60.022 58.200 0.043 0.000 1.010 1335 S CB -0.229 62.989 63.200 0.030 0.000 0.891 1335 S HN 0.552 nan 8.310 nan 0.000 0.442 1336 R N 0.116 120.649 120.500 0.054 0.000 2.081 1336 R HA 0.033 4.373 4.340 -0.000 0.000 0.235 1336 R C 2.319 178.678 176.300 0.098 0.000 1.131 1336 R CA 1.812 57.950 56.100 0.064 0.000 0.960 1336 R CB -0.442 29.887 30.300 0.049 0.000 0.856 1336 R HN 0.484 nan 8.270 nan 0.000 0.436 1337 I N 0.592 121.231 120.570 0.114 0.000 2.500 1337 I HA -0.220 3.950 4.170 -0.000 0.000 0.252 1337 I C 2.526 178.746 176.117 0.171 0.000 1.142 1337 I CA 1.023 62.413 61.300 0.150 0.000 1.451 1337 I CB -0.315 37.788 38.000 0.171 0.000 1.093 1337 I HN 0.221 nan 8.210 nan 0.000 0.430 1338 S N 1.680 117.456 115.700 0.127 0.000 2.370 1338 S HA -0.231 4.239 4.470 -0.000 0.000 0.226 1338 S C 2.235 176.963 174.600 0.213 0.000 1.033 1338 S CA 1.132 59.423 58.200 0.153 0.000 1.011 1338 S CB -0.599 62.657 63.200 0.093 0.000 0.852 1338 S HN 0.408 nan 8.310 nan 0.000 0.457 1339 A N 1.924 124.834 122.820 0.150 0.000 1.873 1339 A HA 0.137 4.457 4.320 -0.000 0.000 0.215 1339 A C 2.269 179.940 177.584 0.144 0.000 1.186 1339 A CA 1.388 53.498 52.037 0.121 0.000 0.616 1339 A CB -0.842 18.206 19.000 0.080 0.000 0.823 1339 A HN 0.574 nan 8.150 nan 0.000 0.442 1340 I N -1.699 118.980 120.570 0.182 0.000 2.179 1340 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 1340 I C 2.350 178.682 176.117 0.359 0.000 1.088 1340 I CA 1.735 63.178 61.300 0.238 0.000 1.357 1340 I CB -0.422 37.727 38.000 0.248 0.000 1.051 1340 I HN 0.446 nan 8.210 nan 0.000 0.409 1341 F N 2.132 122.199 119.950 0.196 0.000 2.091 1341 F HA -0.351 4.176 4.527 -0.000 0.000 0.299 1341 F C 2.834 178.745 175.800 0.185 0.000 1.103 1341 F CA 1.942 60.058 58.000 0.193 0.000 1.228 1341 F CB -0.549 38.507 39.000 0.094 0.000 0.984 1341 F HN 0.166 nan 8.300 nan 0.000 0.477 1342 S N -1.097 114.668 115.700 0.109 0.000 2.442 1342 S HA -0.200 4.270 4.470 -0.000 0.000 0.236 1342 S C 1.930 176.447 174.600 -0.138 0.000 1.007 1342 S CA 1.360 59.531 58.200 -0.049 0.000 0.965 1342 S CB -1.532 61.708 63.200 0.065 0.000 0.773 1342 S HN 0.646 nan 8.310 nan 0.000 0.504 1343 T N -1.863 112.603 114.554 -0.148 0.000 3.067 1343 T HA 0.272 4.622 4.350 -0.000 0.000 0.261 1343 T C 0.293 174.694 174.700 -0.497 0.000 1.110 1343 T CA -0.262 61.645 62.100 -0.321 0.000 1.113 1343 T CB -0.610 68.006 68.868 -0.421 0.000 0.917 1343 T HN 0.307 nan 8.240 nan 0.000 0.499 1344 F N 1.445 121.267 119.950 -0.214 0.000 2.377 1344 F HA 0.527 5.054 4.527 -0.000 0.000 0.328 1344 F C 1.267 176.888 175.800 -0.299 0.000 1.094 1344 F CA -1.590 56.269 58.000 -0.235 0.000 1.093 1344 F CB 1.240 40.105 39.000 -0.225 0.000 1.214 1344 F HN 0.022 nan 8.300 nan 0.000 0.518 1345 I N -1.064 119.448 120.570 -0.097 0.000 4.147 1345 I HA 0.506 4.676 4.170 -0.000 0.000 0.329 1345 I C 0.762 176.775 176.117 -0.174 0.000 1.424 1345 I CA -0.109 61.098 61.300 -0.154 0.000 1.127 1345 I CB 0.575 38.488 38.000 -0.144 0.000 1.128 1345 I HN 0.751 nan 8.210 nan 0.000 0.417 1346 G N 1.837 110.517 108.800 -0.200 0.000 2.142 1346 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.225 1346 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.225 1346 G C 0.360 175.056 174.900 -0.339 0.000 1.015 1346 G CA 0.460 45.398 45.100 -0.271 0.000 0.716 1346 G HN 0.605 nan 8.290 nan 0.000 0.508 1347 E N -0.752 119.226 120.200 -0.370 0.000 2.340 1347 E HA 0.036 4.386 4.350 -0.000 0.000 0.194 1347 E C 0.162 176.581 176.600 -0.302 0.000 0.996 1347 E CA 0.009 56.198 56.400 -0.351 0.000 0.869 1347 E CB 0.180 29.619 29.700 -0.435 0.000 0.835 1347 E HN 0.617 nan 8.360 nan 0.000 0.493 1348 H N -0.065 118.888 119.070 -0.195 0.000 2.623 1348 H HA 0.174 4.730 4.556 -0.000 0.000 0.299 1348 H C -0.984 174.148 175.328 -0.326 0.000 1.052 1348 H CA -0.579 55.399 56.048 -0.117 0.000 1.231 1348 H CB -0.329 29.420 29.762 -0.021 0.000 1.389 1348 H HN 0.019 nan 8.280 nan 0.000 0.469 1349 Y N 1.340 121.586 120.300 -0.091 0.000 2.309 1349 Y HA 0.211 4.761 4.550 -0.000 0.000 0.327 1349 Y C 0.723 176.147 175.900 -0.794 0.000 1.172 1349 Y CA -0.322 57.575 58.100 -0.339 0.000 1.280 1349 Y CB 0.994 39.323 38.460 -0.218 0.000 1.234 1349 Y HN 0.237 nan 8.280 nan 0.000 0.512 1350 V N 4.473 123.901 119.914 -0.809 0.000 2.483 1350 V HA 0.365 4.485 4.120 -0.000 0.000 0.295 1350 V C -0.278 175.132 176.094 -1.139 0.000 1.035 1350 V CA -0.800 60.806 62.300 -1.156 0.000 0.896 1350 V CB 1.027 32.497 31.823 -0.589 0.000 0.986 1350 V HN 0.734 nan 8.190 nan 0.000 0.447 1351 H N 1.869 120.575 119.070 -0.606 0.000 2.797 1351 H HA 0.554 5.110 4.556 -0.000 0.000 0.372 1351 H C -0.383 174.938 175.328 -0.012 0.000 1.168 1351 H CA -0.694 55.246 56.048 -0.178 0.000 1.163 1351 H CB 2.086 31.799 29.762 -0.081 0.000 1.778 1351 H HN 0.568 nan 8.280 nan 0.000 0.551 1352 V N 0.075 120.066 119.914 0.129 0.000 2.963 1352 V HA 0.098 4.218 4.120 -0.000 0.000 0.306 1352 V C 0.837 176.970 176.094 0.064 0.000 1.077 1352 V CA -0.782 61.567 62.300 0.082 0.000 1.124 1352 V CB 0.557 32.420 31.823 0.067 0.000 0.987 1352 V HN 0.677 nan 8.190 nan 0.000 0.487 1353 N N 2.635 121.313 118.700 -0.035 0.000 2.470 1353 N HA 0.261 5.001 4.740 -0.000 0.000 0.268 1353 N C 1.037 176.474 175.510 -0.122 0.000 1.136 1353 N CA 0.453 53.385 53.050 -0.198 0.000 0.961 1353 N CB 1.667 39.762 38.487 -0.653 0.000 1.067 1353 N HN 0.988 nan 8.380 nan 0.000 0.468 1354 A N 2.909 125.679 122.820 -0.085 0.000 1.986 1354 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 1354 A C 1.888 179.467 177.584 -0.008 0.000 1.171 1354 A CA 2.319 54.337 52.037 -0.031 0.000 0.640 1354 A CB -0.878 18.105 19.000 -0.029 0.000 0.811 1354 A HN 0.830 nan 8.150 nan 0.000 0.451 1355 T N -4.601 109.923 114.554 -0.050 0.000 3.113 1355 T HA 0.065 4.415 4.350 -0.000 0.000 0.256 1355 T C 1.435 176.301 174.700 0.277 0.000 1.131 1355 T CA 0.896 63.033 62.100 0.061 0.000 1.074 1355 T CB -0.486 68.407 68.868 0.041 0.000 0.944 1355 T HN 0.658 nan 8.240 nan 0.000 0.516 1356 Y N 0.503 120.829 120.300 0.043 0.000 2.507 1356 Y HA 0.356 4.906 4.550 -0.000 0.000 0.263 1356 Y C 0.978 176.906 175.900 0.047 0.000 1.093 1356 Y CA -0.963 57.170 58.100 0.055 0.000 1.285 1356 Y CB 0.670 39.161 38.460 0.051 0.000 1.115 1356 Y HN 0.019 nan 8.280 nan 0.000 0.533 1357 V N 3.307 123.331 119.914 0.184 0.000 2.557 1357 V HA -0.172 3.948 4.120 -0.000 0.000 0.301 1357 V C 0.366 176.517 176.094 0.095 0.000 1.026 1357 V CA 0.716 63.084 62.300 0.112 0.000 1.137 1357 V CB 0.031 31.896 31.823 0.069 0.000 0.917 1357 V HN 0.656 nan 8.190 nan 0.000 0.484 1358 N N 1.403 120.151 118.700 0.079 0.000 2.936 1358 N HA -0.159 4.581 4.740 -0.000 0.000 0.236 1358 N C -0.061 175.490 175.510 0.068 0.000 0.930 1358 N CA 0.959 54.048 53.050 0.064 0.000 0.966 1358 N CB -1.107 37.411 38.487 0.052 0.000 1.090 1358 N HN 0.478 nan 8.380 nan 0.000 0.592 1359 V N 1.700 121.665 119.914 0.084 0.000 2.614 1359 V HA 0.108 4.228 4.120 -0.000 0.000 0.291 1359 V C 1.092 177.223 176.094 0.063 0.000 1.049 1359 V CA 0.251 62.594 62.300 0.071 0.000 1.038 1359 V CB 1.308 33.177 31.823 0.077 0.000 0.980 1359 V HN 0.062 nan 8.190 nan 0.000 0.481 1360 K N 0.000 120.432 120.400 0.054 0.000 2.780 1360 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1360 K CA 0.000 56.324 56.287 0.061 0.000 0.838 1360 K CB 0.000 32.533 32.500 0.055 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543