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 3q6w_1_A DATA FIRST_RESID 1050 DATA SEQUENCE TVHIDLSALN PELVQAVQHV VIGPSSLIVH FNEVIGRGHF GCVYHGTLLD DATA SEQUENCE NDGKKIHCAV KSLNRITDIG EVSQFLTEGI IMKDFSHPNV LSLLGICLRS DATA SEQUENCE EGSPLVVLPY MKHGDLRNFI RNETHNPTVK DLIGFGLQVA KGMKYLASKK DATA SEQUENCE FVHRDLAARN CMLDEKFTVK VADFGLARDM YDKEXXSVHN XXXXKLPVKW DATA SEQUENCE MALESLQTQK FTTKSDVWSF GVLLWELMTR GAPPYPDVNT FDITVYLLQG DATA SEQUENCE RRLLQPEYCP DPLYEVMLKC WHPKAEMRPS FSELVSRISA IFSTFIGEHH DATA SEQUENCE HHH 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 0.000 174.707 174.700 0.012 0.000 1.109 1050 T CA 0.000 62.094 62.100 -0.010 0.000 1.349 1050 T CB 0.000 68.862 68.868 -0.010 0.000 0.612 1051 V N 1.067 120.984 119.914 0.006 0.000 2.843 1051 V HA 0.648 4.770 4.120 0.003 0.000 0.305 1051 V C -0.137 175.988 176.094 0.052 0.000 1.065 1051 V CA -0.206 62.107 62.300 0.021 0.000 1.116 1051 V CB 0.549 32.367 31.823 -0.007 0.000 0.968 1051 V HN 0.521 nan 8.190 nan 0.000 0.487 1052 H N 3.569 122.633 119.070 -0.011 0.000 2.587 1052 H HA 0.650 5.208 4.556 0.003 0.000 0.325 1052 H C -0.713 174.613 175.328 -0.004 0.000 1.012 1052 H CA -0.786 55.258 56.048 -0.007 0.000 1.213 1052 H CB 1.221 30.979 29.762 -0.006 0.000 1.431 1052 H HN 0.806 nan 8.280 nan 0.000 0.492 1053 I N 4.217 124.489 120.570 -0.495 0.000 2.342 1053 I HA 0.086 4.258 4.170 0.003 0.000 0.291 1053 I C -0.034 175.859 176.117 -0.374 0.000 1.010 1053 I CA -0.416 60.703 61.300 -0.302 0.000 1.308 1053 I CB 0.937 38.830 38.000 -0.179 0.000 1.400 1053 I HN 0.649 nan 8.210 nan 0.000 0.488 1054 D N 6.988 127.311 120.400 -0.129 0.000 2.393 1054 D HA 0.159 4.801 4.640 0.003 0.000 0.232 1054 D C 0.932 177.210 176.300 -0.037 0.000 1.192 1054 D CA -0.022 53.960 54.000 -0.031 0.000 0.882 1054 D CB 0.876 41.705 40.800 0.049 0.000 1.038 1054 D HN 0.441 nan 8.370 nan 0.000 0.499 1055 L N 2.621 123.818 121.223 -0.044 0.000 2.191 1055 L HA -0.168 4.174 4.340 0.003 0.000 0.212 1055 L C 2.347 179.212 176.870 -0.009 0.000 1.103 1055 L CA 1.082 55.904 54.840 -0.029 0.000 0.769 1055 L CB -0.486 41.557 42.059 -0.026 0.000 0.908 1055 L HN 0.399 nan 8.230 nan 0.000 0.438 1056 S N -0.032 115.670 115.700 0.004 0.000 2.507 1056 S HA -0.067 4.405 4.470 0.003 0.000 0.235 1056 S C 1.820 176.422 174.600 0.005 0.000 0.988 1056 S CA 0.705 58.909 58.200 0.008 0.000 0.944 1056 S CB -0.163 63.047 63.200 0.016 0.000 0.762 1056 S HN 0.352 nan 8.310 nan 0.000 0.526 1057 A N 0.400 123.221 122.820 0.002 0.000 2.275 1057 A HA 0.547 4.869 4.320 0.003 0.000 0.212 1057 A C 0.727 178.309 177.584 -0.003 0.000 1.201 1057 A CA -0.235 51.803 52.037 0.002 0.000 0.843 1057 A CB -0.152 18.850 19.000 0.004 0.000 0.873 1057 A HN 0.533 nan 8.150 nan 0.000 0.492 1058 L N -0.283 120.936 121.223 -0.007 0.000 2.358 1058 L HA 0.287 4.628 4.340 0.003 0.000 0.268 1058 L C 0.353 177.219 176.870 -0.007 0.000 1.032 1058 L CA -1.030 53.804 54.840 -0.009 0.000 0.805 1058 L CB 0.628 42.678 42.059 -0.015 0.000 1.253 1058 L HN 0.203 nan 8.230 nan 0.000 0.452 1059 N N 1.720 120.416 118.700 -0.007 0.000 2.447 1059 N HA 0.020 4.762 4.740 0.003 0.000 0.263 1059 N C -1.926 173.579 175.510 -0.007 0.000 1.226 1059 N CA -1.058 51.989 53.050 -0.006 0.000 0.906 1059 N CB 1.487 39.972 38.487 -0.003 0.000 1.060 1059 N HN 0.269 nan 8.380 nan 0.000 0.468 1060 P HA -0.122 nan 4.420 nan 0.000 0.217 1060 P C 0.503 177.798 177.300 -0.008 0.000 1.148 1060 P CA 1.444 64.540 63.100 -0.007 0.000 0.828 1060 P CB 0.309 32.005 31.700 -0.007 0.000 0.783 1061 E N -0.877 119.319 120.200 -0.007 0.000 2.106 1061 E HA -0.151 4.201 4.350 0.003 0.000 0.192 1061 E C 1.891 178.486 176.600 -0.008 0.000 0.984 1061 E CA 0.620 57.016 56.400 -0.008 0.000 0.806 1061 E CB -0.715 28.983 29.700 -0.003 0.000 0.750 1061 E HN 0.142 nan 8.360 nan 0.000 0.458 1062 L N 0.867 122.085 121.223 -0.008 0.000 2.027 1062 L HA -0.147 4.195 4.340 0.003 0.000 0.206 1062 L C 2.209 179.068 176.870 -0.018 0.000 1.074 1062 L CA 1.408 56.238 54.840 -0.016 0.000 0.745 1062 L CB -0.354 41.694 42.059 -0.018 0.000 0.898 1062 L HN -0.051 nan 8.230 nan 0.000 0.433 1063 V N -0.285 119.621 119.914 -0.014 0.000 2.287 1063 V HA -0.351 3.771 4.120 0.003 0.000 0.248 1063 V C 2.584 178.676 176.094 -0.003 0.000 1.053 1063 V CA 2.149 64.442 62.300 -0.011 0.000 1.027 1063 V CB -0.887 30.930 31.823 -0.009 0.000 0.646 1063 V HN 0.560 nan 8.190 nan 0.000 0.447 1064 Q N -0.167 119.632 119.800 -0.001 0.000 2.061 1064 Q HA -0.199 4.143 4.340 0.003 0.000 0.204 1064 Q C 2.470 178.481 176.000 0.018 0.000 0.984 1064 Q CA 1.869 57.675 55.803 0.006 0.000 0.846 1064 Q CB -0.473 28.262 28.738 -0.005 0.000 0.902 1064 Q HN 0.682 nan 8.270 nan 0.000 0.421 1065 A N 0.291 123.113 122.820 0.003 0.000 1.908 1065 A HA -0.174 4.147 4.320 0.003 0.000 0.218 1065 A C 2.336 179.939 177.584 0.031 0.000 1.181 1065 A CA 1.593 53.636 52.037 0.009 0.000 0.627 1065 A CB -0.821 18.168 19.000 -0.018 0.000 0.818 1065 A HN 0.230 nan 8.150 nan 0.000 0.445 1066 V N -0.334 119.581 119.914 0.001 0.000 2.295 1066 V HA -0.321 3.801 4.120 0.003 0.000 0.246 1066 V C 2.671 178.769 176.094 0.007 0.000 1.049 1066 V CA 2.283 64.575 62.300 -0.013 0.000 1.024 1066 V CB -0.860 30.946 31.823 -0.028 0.000 0.648 1066 V HN 0.681 nan 8.190 nan 0.000 0.447 1067 Q N -0.903 118.910 119.800 0.021 0.000 2.152 1067 Q HA -0.285 4.057 4.340 0.003 0.000 0.206 1067 Q C 2.344 178.372 176.000 0.046 0.000 0.985 1067 Q CA 1.988 57.807 55.803 0.027 0.000 0.863 1067 Q CB -0.274 28.482 28.738 0.030 0.000 0.904 1067 Q HN 0.769 nan 8.270 nan 0.000 0.422 1068 H N -0.607 118.448 119.070 -0.025 0.000 2.421 1068 H HA -0.085 4.473 4.556 0.003 0.000 0.298 1068 H C 1.374 176.685 175.328 -0.027 0.000 1.087 1068 H CA 1.631 57.665 56.048 -0.024 0.000 1.330 1068 H CB 0.436 30.183 29.762 -0.025 0.000 1.388 1068 H HN 0.250 nan 8.280 nan 0.000 0.526 1069 V N -0.469 119.393 119.914 -0.086 0.000 3.271 1069 V HA 0.277 4.398 4.120 0.003 0.000 0.327 1069 V C 0.856 176.896 176.094 -0.090 0.000 1.389 1069 V CA -0.355 61.868 62.300 -0.129 0.000 1.156 1069 V CB -0.212 31.571 31.823 -0.067 0.000 1.103 1069 V HN -0.027 nan 8.190 nan 0.000 0.453 1070 V N 1.976 121.847 119.914 -0.072 0.000 2.763 1070 V HA 0.238 4.360 4.120 0.003 0.000 0.306 1070 V C 0.162 176.230 176.094 -0.043 0.000 1.059 1070 V CA 0.586 62.859 62.300 -0.044 0.000 1.138 1070 V CB 1.106 32.913 31.823 -0.026 0.000 0.940 1070 V HN 0.535 nan 8.190 nan 0.000 0.489 1071 I N 4.870 125.426 120.570 -0.023 0.000 2.406 1071 I HA 0.422 4.594 4.170 0.003 0.000 0.290 1071 I C 0.854 176.970 176.117 -0.001 0.000 0.999 1071 I CA -0.456 60.837 61.300 -0.011 0.000 1.124 1071 I CB 1.659 39.659 38.000 -0.000 0.000 1.289 1071 I HN 0.709 nan 8.210 nan 0.000 0.441 1072 G N 6.931 115.731 108.800 -0.000 0.000 2.340 1072 G HA2 0.143 4.105 3.960 0.003 0.000 0.245 1072 G HA3 0.143 4.105 3.960 0.003 0.000 0.245 1072 G C -1.358 173.550 174.900 0.013 0.000 1.294 1072 G CA -0.765 44.338 45.100 0.005 0.000 0.896 1072 G HN 0.466 nan 8.290 nan 0.000 0.522 1073 P HA -0.187 nan 4.420 nan 0.000 0.218 1073 P C 1.918 179.233 177.300 0.024 0.000 1.146 1073 P CA 1.750 64.863 63.100 0.022 0.000 0.813 1073 P CB 0.156 31.867 31.700 0.018 0.000 0.778 1074 S N -1.353 114.358 115.700 0.019 0.000 2.481 1074 S HA 0.010 4.481 4.470 0.003 0.000 0.231 1074 S C 1.857 176.469 174.600 0.021 0.000 0.996 1074 S CA 0.761 58.972 58.200 0.018 0.000 0.942 1074 S CB -1.067 62.140 63.200 0.012 0.000 0.768 1074 S HN 0.036 nan 8.310 nan 0.000 0.520 1075 S N 0.777 116.490 115.700 0.022 0.000 2.593 1075 S HA 0.390 4.862 4.470 0.003 0.000 0.217 1075 S C -0.119 174.503 174.600 0.036 0.000 0.966 1075 S CA -0.275 57.939 58.200 0.023 0.000 0.914 1075 S CB -0.188 63.022 63.200 0.016 0.000 0.776 1075 S HN 0.536 nan 8.310 nan 0.000 0.523 1076 L N 1.380 122.631 121.223 0.047 0.000 2.385 1076 L HA 0.596 4.938 4.340 0.003 0.000 0.273 1076 L C -1.439 175.483 176.870 0.087 0.000 0.990 1076 L CA -0.527 54.355 54.840 0.069 0.000 0.821 1076 L CB 1.356 43.458 42.059 0.070 0.000 1.279 1076 L HN -0.002 nan 8.230 nan 0.000 0.412 1077 I N 5.729 126.371 120.570 0.119 0.000 2.355 1077 I HA 0.367 4.539 4.170 0.003 0.000 0.288 1077 I C -0.687 175.578 176.117 0.245 0.000 0.999 1077 I CA -0.931 60.458 61.300 0.149 0.000 1.163 1077 I CB 1.765 39.830 38.000 0.108 0.000 1.316 1077 I HN 0.237 nan 8.210 nan 0.000 0.454 1078 V N 5.794 125.848 119.914 0.233 0.000 2.385 1078 V HA 0.124 4.246 4.120 0.003 0.000 0.269 1078 V C 0.477 176.749 176.094 0.298 0.000 1.043 1078 V CA -0.505 61.951 62.300 0.261 0.000 0.906 1078 V CB 0.112 32.051 31.823 0.194 0.000 0.995 1078 V HN 0.632 nan 8.190 nan 0.000 0.467 1079 H N 6.115 125.219 119.070 0.056 0.000 3.198 1079 H HA 0.054 4.611 4.556 0.002 0.000 0.255 1079 H C 0.968 176.211 175.328 -0.141 0.000 1.729 1079 H CA -0.246 55.763 56.048 -0.065 0.000 1.495 1079 H CB -0.067 29.705 29.762 0.017 0.000 1.807 1079 H HN 0.868 nan 8.280 nan 0.000 0.554 1080 F N 1.131 120.972 119.950 -0.181 0.000 2.641 1080 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 1080 F C 1.387 177.045 175.800 -0.237 0.000 1.146 1080 F CA -0.034 57.634 58.000 -0.554 0.000 1.464 1080 F CB -0.154 38.536 39.000 -0.518 0.000 1.101 1080 F HN 0.251 nan 8.300 nan 0.000 0.585 1081 N N 0.535 119.041 118.700 -0.323 0.000 2.280 1081 N HA 0.001 4.742 4.740 0.003 0.000 0.192 1081 N C -0.633 174.910 175.510 0.056 0.000 1.109 1081 N CA 0.018 52.992 53.050 -0.126 0.000 0.855 1081 N CB -0.421 37.919 38.487 -0.246 0.000 0.974 1081 N HN 0.542 nan 8.380 nan 0.000 0.482 1082 E N 0.730 121.037 120.200 0.179 0.000 2.795 1082 E HA 0.251 4.603 4.350 0.003 0.000 0.226 1082 E C -1.002 175.845 176.600 0.412 0.000 1.088 1082 E CA -0.523 56.063 56.400 0.310 0.000 0.812 1082 E CB 1.726 31.664 29.700 0.397 0.000 1.328 1082 E HN -0.065 nan 8.360 nan 0.000 0.410 1083 V N 3.912 124.026 119.914 0.334 0.000 2.572 1083 V HA 0.054 4.176 4.120 0.003 0.000 0.291 1083 V C 1.177 177.310 176.094 0.065 0.000 1.039 1083 V CA 0.536 62.953 62.300 0.194 0.000 1.055 1083 V CB 0.443 32.337 31.823 0.119 0.000 0.969 1083 V HN 0.656 nan 8.190 nan 0.000 0.482 1084 I N 1.134 121.673 120.570 -0.053 0.000 4.439 1084 I HA 0.737 4.909 4.170 0.003 0.000 0.331 1084 I C 0.627 176.684 176.117 -0.100 0.000 1.345 1084 I CA 0.219 61.462 61.300 -0.095 0.000 1.193 1084 I CB 0.801 38.669 38.000 -0.220 0.000 1.221 1084 I HN 0.672 nan 8.210 nan 0.000 0.429 1085 G N 2.090 110.817 108.800 -0.121 0.000 2.430 1085 G HA2 0.597 4.559 3.960 0.003 0.000 0.300 1085 G HA3 0.597 4.559 3.960 0.003 0.000 0.300 1085 G C -1.753 173.063 174.900 -0.139 0.000 1.330 1085 G CA -0.993 44.036 45.100 -0.118 0.000 0.813 1085 G HN 0.420 nan 8.290 nan 0.000 0.487 1086 R N -0.528 119.892 120.500 -0.132 0.000 2.510 1086 R HA 0.697 5.039 4.340 0.003 0.000 0.287 1086 R C 0.114 176.313 176.300 -0.169 0.000 1.084 1086 R CA -0.356 55.660 56.100 -0.140 0.000 0.934 1086 R CB 1.497 31.723 30.300 -0.124 0.000 1.201 1086 R HN 1.079 nan 8.270 nan 0.000 0.431 1087 G N 0.473 109.194 108.800 -0.133 0.000 2.532 1087 G HA2 0.153 4.115 3.960 0.003 0.000 0.291 1087 G HA3 0.153 4.115 3.960 0.003 0.000 0.291 1087 G C 0.074 174.812 174.900 -0.268 0.000 1.349 1087 G CA -0.688 44.312 45.100 -0.167 0.000 1.038 1087 G HN 0.714 nan 8.290 nan 0.000 0.518 1088 H N -0.954 117.984 119.070 -0.221 0.000 2.495 1088 H HA 0.034 4.589 4.556 -0.002 0.000 0.287 1088 H C 1.495 176.451 175.328 -0.619 0.000 1.033 1088 H CA 1.114 56.867 56.048 -0.492 0.000 1.307 1088 H CB 0.205 29.518 29.762 -0.749 0.000 1.401 1088 H HN 0.418 nan 8.280 nan 0.000 0.555 1089 F N -0.737 119.294 119.950 0.134 0.000 2.724 1089 F HA 0.389 4.915 4.527 -0.002 0.000 0.306 1089 F C 1.428 177.185 175.800 -0.072 0.000 1.100 1089 F CA 0.315 58.346 58.000 0.051 0.000 1.255 1089 F CB 1.387 40.469 39.000 0.137 0.000 1.072 1089 F HN 0.108 nan 8.300 nan 0.000 0.589 1090 G N -0.882 107.958 108.800 0.066 0.000 2.325 1090 G HA2 0.280 4.242 3.960 0.003 0.000 0.295 1090 G HA3 0.280 4.242 3.960 0.003 0.000 0.295 1090 G C -1.625 173.236 174.900 -0.064 0.000 1.274 1090 G CA -0.926 44.161 45.100 -0.021 0.000 0.857 1090 G HN -0.077 nan 8.290 nan 0.000 0.499 1091 C N -0.855 118.363 119.300 -0.136 0.000 2.403 1091 C HA 0.775 5.237 4.460 0.003 0.000 0.361 1091 C C 0.592 175.340 174.990 -0.402 0.000 1.274 1091 C CA -0.335 58.513 59.018 -0.282 0.000 2.433 1091 C CB 0.841 28.363 27.740 -0.362 0.000 2.323 1091 C HN 0.575 nan 8.230 nan 0.000 0.614 1092 V N 0.830 120.473 119.914 -0.453 0.000 2.604 1092 V HA 0.500 4.622 4.120 0.003 0.000 0.305 1092 V C -1.070 174.757 176.094 -0.445 0.000 1.043 1092 V CA -0.496 61.604 62.300 -0.333 0.000 0.888 1092 V CB 1.156 32.894 31.823 -0.141 0.000 0.995 1092 V HN 0.831 nan 8.190 nan 0.000 0.429 1093 Y N 1.210 121.541 120.300 0.051 0.000 2.602 1093 Y HA 0.548 5.100 4.550 0.003 0.000 0.342 1093 Y C 0.630 176.541 175.900 0.019 0.000 1.029 1093 Y CA -1.102 57.034 58.100 0.060 0.000 1.080 1093 Y CB 1.369 39.912 38.460 0.138 0.000 1.284 1093 Y HN 0.541 nan 8.280 nan 0.000 0.485 1094 H N 0.324 119.510 119.070 0.193 0.000 2.771 1094 H HA 0.393 4.952 4.556 0.005 0.000 0.364 1094 H C 0.030 175.234 175.328 -0.206 0.000 1.133 1094 H CA 0.630 56.653 56.048 -0.043 0.000 1.423 1094 H CB 1.083 30.727 29.762 -0.197 0.000 1.425 1094 H HN 0.893 nan 8.280 nan 0.000 0.606 1095 G N 0.276 108.997 108.800 -0.133 0.000 2.690 1095 G HA2 0.391 4.353 3.960 0.003 0.000 0.291 1095 G HA3 0.391 4.353 3.960 0.003 0.000 0.291 1095 G C -1.182 173.680 174.900 -0.064 0.000 1.403 1095 G CA -0.535 44.515 45.100 -0.084 0.000 0.864 1095 G HN 0.489 nan 8.290 nan 0.000 0.480 1096 T N 1.458 116.074 114.554 0.103 0.000 2.840 1096 T HA 0.482 4.834 4.350 0.003 0.000 0.287 1096 T C -0.612 174.145 174.700 0.095 0.000 0.991 1096 T CA -0.336 61.836 62.100 0.120 0.000 0.964 1096 T CB 1.155 70.144 68.868 0.203 0.000 0.954 1096 T HN 0.364 nan 8.240 nan 0.000 0.438 1097 L N 4.993 126.258 121.223 0.071 0.000 2.296 1097 L HA 0.574 4.916 4.340 0.003 0.000 0.286 1097 L C -0.937 175.955 176.870 0.038 0.000 1.023 1097 L CA -1.016 53.857 54.840 0.054 0.000 0.812 1097 L CB 0.881 42.970 42.059 0.049 0.000 1.223 1097 L HN 0.584 nan 8.230 nan 0.000 0.421 1098 L N 4.195 125.436 121.223 0.030 0.000 2.261 1098 L HA 0.246 4.588 4.340 0.003 0.000 0.289 1098 L C 0.035 176.913 176.870 0.013 0.000 1.059 1098 L CA -0.852 53.999 54.840 0.019 0.000 0.816 1098 L CB 0.841 42.909 42.059 0.015 0.000 1.191 1098 L HN 0.610 nan 8.230 nan 0.000 0.431 1099 D N 0.992 121.398 120.400 0.010 0.000 2.414 1099 D HA -0.033 4.609 4.640 0.003 0.000 0.251 1099 D C 0.890 177.191 176.300 0.001 0.000 1.252 1099 D CA -0.547 53.456 54.000 0.005 0.000 0.999 1099 D CB 0.535 41.339 40.800 0.005 0.000 1.093 1099 D HN 0.315 nan 8.370 nan 0.000 0.515 1100 N N -0.677 118.022 118.700 -0.003 0.000 2.272 1100 N HA -0.152 4.590 4.740 0.003 0.000 0.185 1100 N C 0.280 175.788 175.510 -0.003 0.000 1.014 1100 N CA 1.002 54.049 53.050 -0.005 0.000 0.870 1100 N CB -0.167 38.315 38.487 -0.008 0.000 0.975 1100 N HN 0.372 nan 8.380 nan 0.000 0.433 1101 D N -1.433 118.966 120.400 -0.001 0.000 2.349 1101 D HA 0.210 4.851 4.640 0.003 0.000 0.214 1101 D C 0.971 177.271 176.300 -0.000 0.000 1.063 1101 D CA 0.629 54.629 54.000 -0.001 0.000 0.847 1101 D CB 0.075 40.875 40.800 -0.000 0.000 0.933 1101 D HN 0.359 nan 8.370 nan 0.000 0.513 1102 G N 1.091 109.891 108.800 0.001 0.000 2.157 1102 G HA2 -0.251 3.710 3.960 0.003 0.000 0.248 1102 G HA3 -0.251 3.710 3.960 0.003 0.000 0.248 1102 G C 0.408 175.308 174.900 0.001 0.000 0.979 1102 G CA -0.122 44.979 45.100 0.001 0.000 0.650 1102 G HN 0.132 nan 8.290 nan 0.000 0.529 1103 K N 0.634 121.035 120.400 0.002 0.000 2.185 1103 K HA 0.376 4.698 4.320 0.003 0.000 0.271 1103 K C 0.512 177.116 176.600 0.007 0.000 1.013 1103 K CA -0.360 55.928 56.287 0.003 0.000 0.943 1103 K CB 1.090 33.592 32.500 0.004 0.000 0.998 1103 K HN 0.268 nan 8.250 nan 0.000 0.468 1104 K N 2.303 122.706 120.400 0.004 0.000 2.297 1104 K HA 0.315 4.637 4.320 0.003 0.000 0.286 1104 K C -0.017 176.593 176.600 0.017 0.000 1.053 1104 K CA -0.066 56.225 56.287 0.008 0.000 0.940 1104 K CB 0.539 33.036 32.500 -0.004 0.000 1.019 1104 K HN 0.394 nan 8.250 nan 0.000 0.475 1105 I N 2.439 123.029 120.570 0.034 0.000 2.406 1105 I HA 0.134 4.306 4.170 0.003 0.000 0.290 1105 I C 0.012 176.187 176.117 0.097 0.000 0.999 1105 I CA -0.756 60.578 61.300 0.057 0.000 1.124 1105 I CB 1.392 39.420 38.000 0.048 0.000 1.289 1105 I HN 0.620 nan 8.210 nan 0.000 0.441 1106 H N 5.802 124.857 119.070 -0.025 0.000 2.722 1106 H HA 0.362 4.919 4.556 0.002 0.000 0.328 1106 H C -0.491 174.838 175.328 0.000 0.000 1.067 1106 H CA -0.580 55.422 56.048 -0.076 0.000 1.447 1106 H CB 0.814 30.481 29.762 -0.157 0.000 1.469 1106 H HN 0.837 nan 8.280 nan 0.000 0.544 1107 C N 2.845 122.245 119.300 0.168 0.000 3.213 1107 C HA 0.898 5.360 4.460 0.003 0.000 0.319 1107 C C -0.447 174.601 174.990 0.097 0.000 1.386 1107 C CA -0.807 58.269 59.018 0.097 0.000 1.494 1107 C CB 0.781 28.571 27.740 0.085 0.000 1.905 1107 C HN 0.930 nan 8.230 nan 0.000 0.456 1108 A N 0.574 123.448 122.820 0.091 0.000 2.318 1108 A HA 0.777 5.099 4.320 0.003 0.000 0.324 1108 A C -0.904 176.732 177.584 0.085 0.000 1.170 1108 A CA -0.418 51.665 52.037 0.077 0.000 0.810 1108 A CB 0.840 19.855 19.000 0.025 0.000 1.198 1108 A HN 1.369 nan 8.150 nan 0.000 0.484 1109 V N 3.420 123.409 119.914 0.125 0.000 2.378 1109 V HA 0.309 4.431 4.120 0.003 0.000 0.288 1109 V C -0.061 176.144 176.094 0.185 0.000 1.016 1109 V CA -0.668 61.736 62.300 0.172 0.000 0.840 1109 V CB 1.416 33.379 31.823 0.234 0.000 0.994 1109 V HN 0.890 nan 8.190 nan 0.000 0.431 1110 K N 3.116 123.631 120.400 0.191 0.000 2.172 1110 K HA 0.656 4.978 4.320 0.003 0.000 0.276 1110 K C 0.107 176.953 176.600 0.410 0.000 1.013 1110 K CA -0.174 56.265 56.287 0.254 0.000 0.913 1110 K CB 1.591 34.278 32.500 0.312 0.000 1.055 1110 K HN 0.857 nan 8.250 nan 0.000 0.461 1111 S N 2.137 117.982 115.700 0.241 0.000 2.634 1111 S HA 0.472 4.944 4.470 0.003 0.000 0.296 1111 S C -0.969 173.448 174.600 -0.306 0.000 1.104 1111 S CA -1.066 57.180 58.200 0.077 0.000 0.920 1111 S CB 1.132 64.456 63.200 0.208 0.000 1.111 1111 S HN 0.294 nan 8.310 nan 0.000 0.493 1112 L N 2.645 123.533 121.223 -0.559 0.000 2.292 1112 L HA 0.487 4.829 4.340 0.003 0.000 0.284 1112 L C -0.052 176.699 176.870 -0.199 0.000 1.065 1112 L CA -0.334 54.175 54.840 -0.551 0.000 0.806 1112 L CB 0.787 42.473 42.059 -0.622 0.000 1.175 1112 L HN 0.837 nan 8.230 nan 0.000 0.431 1113 N N 4.534 123.169 118.700 -0.108 0.000 2.419 1113 N HA 0.132 4.874 4.740 0.003 0.000 0.264 1113 N C -0.498 174.993 175.510 -0.031 0.000 1.031 1113 N CA -0.418 52.610 53.050 -0.037 0.000 0.951 1113 N CB 0.802 39.281 38.487 -0.013 0.000 1.101 1113 N HN 0.327 nan 8.380 nan 0.000 0.488 1114 R N 1.561 122.048 120.500 -0.021 0.000 2.291 1114 R HA -0.214 4.127 4.340 0.003 0.000 0.270 1114 R C -0.153 176.136 176.300 -0.020 0.000 1.002 1114 R CA 0.321 56.412 56.100 -0.016 0.000 0.920 1114 R CB -1.616 28.682 30.300 -0.002 0.000 2.449 1114 R HN 0.606 nan 8.270 nan 0.000 0.527 1115 I N 1.468 122.019 120.570 -0.032 0.000 2.416 1115 I HA 0.117 4.289 4.170 0.003 0.000 0.288 1115 I C 1.480 177.590 176.117 -0.012 0.000 1.051 1115 I CA 0.606 61.888 61.300 -0.031 0.000 1.375 1115 I CB 1.371 39.336 38.000 -0.058 0.000 1.407 1115 I HN 0.600 nan 8.210 nan 0.000 0.516 1116 T N 2.111 116.663 114.554 -0.002 0.000 3.026 1116 T HA 0.241 4.593 4.350 0.003 0.000 0.245 1116 T C 0.268 174.973 174.700 0.008 0.000 1.004 1116 T CA 0.335 62.438 62.100 0.006 0.000 1.069 1116 T CB -0.249 68.626 68.868 0.012 0.000 1.005 1116 T HN 0.712 nan 8.240 nan 0.000 0.472 1117 D N -0.186 120.219 120.400 0.008 0.000 2.581 1117 D HA 0.304 4.946 4.640 0.003 0.000 0.232 1117 D C 0.648 176.950 176.300 0.003 0.000 1.143 1117 D CA -0.843 53.163 54.000 0.010 0.000 0.881 1117 D CB 2.217 43.027 40.800 0.018 0.000 1.500 1117 D HN -0.045 nan 8.370 nan 0.000 0.458 1118 I N 1.659 122.231 120.570 0.003 0.000 2.286 1118 I HA -0.080 4.092 4.170 0.003 0.000 0.248 1118 I C 2.359 178.475 176.117 -0.003 0.000 1.115 1118 I CA 1.900 63.198 61.300 -0.003 0.000 1.392 1118 I CB -0.454 37.545 38.000 -0.001 0.000 1.065 1118 I HN 0.730 nan 8.210 nan 0.000 0.418 1119 G N -0.648 108.157 108.800 0.009 0.000 2.442 1119 G HA2 -0.328 3.634 3.960 0.003 0.000 0.219 1119 G HA3 -0.328 3.634 3.960 0.003 0.000 0.219 1119 G C 1.610 176.516 174.900 0.010 0.000 1.141 1119 G CA 0.978 46.087 45.100 0.016 0.000 0.763 1119 G HN 0.502 nan 8.290 nan 0.000 0.554 1120 E N -0.307 119.901 120.200 0.013 0.000 2.072 1120 E HA -0.073 4.279 4.350 0.003 0.000 0.191 1120 E C 2.680 179.229 176.600 -0.085 0.000 0.985 1120 E CA 0.857 57.259 56.400 0.002 0.000 0.801 1120 E CB -0.055 29.669 29.700 0.040 0.000 0.750 1120 E HN 0.229 nan 8.360 nan 0.000 0.452 1121 V N 0.373 120.259 119.914 -0.047 0.000 2.295 1121 V HA -0.272 3.850 4.120 0.003 0.000 0.246 1121 V C 2.420 178.496 176.094 -0.030 0.000 1.049 1121 V CA 1.933 64.220 62.300 -0.022 0.000 1.024 1121 V CB -0.673 31.141 31.823 -0.015 0.000 0.648 1121 V HN 0.324 nan 8.190 nan 0.000 0.447 1122 S N -0.941 114.733 115.700 -0.044 0.000 2.359 1122 S HA -0.291 4.181 4.470 0.003 0.000 0.224 1122 S C 2.059 176.601 174.600 -0.096 0.000 1.035 1122 S CA 2.071 60.240 58.200 -0.050 0.000 1.018 1122 S CB -0.247 62.938 63.200 -0.024 0.000 0.876 1122 S HN 0.694 nan 8.310 nan 0.000 0.448 1123 Q N -0.874 118.844 119.800 -0.135 0.000 2.084 1123 Q HA -0.113 4.228 4.340 0.003 0.000 0.202 1123 Q C 1.947 177.657 176.000 -0.483 0.000 0.978 1123 Q CA 1.706 57.383 55.803 -0.211 0.000 0.844 1123 Q CB -0.346 28.325 28.738 -0.111 0.000 0.898 1123 Q HN 0.696 nan 8.270 nan 0.000 0.426 1124 F N 1.317 120.740 119.950 -0.878 0.000 2.102 1124 F HA -0.180 4.359 4.527 0.020 0.000 0.298 1124 F C 1.803 177.400 175.800 -0.339 0.000 1.105 1124 F CA 1.226 58.730 58.000 -0.826 0.000 1.239 1124 F CB -0.205 38.426 39.000 -0.615 0.000 0.991 1124 F HN -0.046 nan 8.300 nan 0.000 0.474 1125 L N -0.547 120.509 121.223 -0.278 0.000 2.046 1125 L HA -0.235 4.106 4.340 0.003 0.000 0.208 1125 L C 2.325 179.039 176.870 -0.260 0.000 1.077 1125 L CA 1.808 56.478 54.840 -0.282 0.000 0.747 1125 L CB -1.214 40.770 42.059 -0.124 0.000 0.896 1125 L HN 0.129 nan 8.230 nan 0.000 0.432 1126 T N -0.452 113.986 114.554 -0.193 0.000 2.833 1126 T HA -0.220 4.132 4.350 0.003 0.000 0.269 1126 T C 1.628 176.229 174.700 -0.165 0.000 1.054 1126 T CA 1.609 63.625 62.100 -0.141 0.000 1.135 1126 T CB -0.255 68.569 68.868 -0.074 0.000 0.869 1126 T HN 0.569 nan 8.240 nan 0.000 0.466 1127 E N 0.914 121.009 120.200 -0.175 0.000 2.333 1127 E HA -0.012 4.340 4.350 0.003 0.000 0.198 1127 E C 2.145 178.638 176.600 -0.179 0.000 1.007 1127 E CA 1.146 57.492 56.400 -0.091 0.000 0.845 1127 E CB -0.383 29.376 29.700 0.099 0.000 0.766 1127 E HN 0.489 nan 8.360 nan 0.000 0.507 1128 G N 1.006 109.632 108.800 -0.290 0.000 2.556 1128 G HA2 -0.017 3.945 3.960 0.003 0.000 0.209 1128 G HA3 -0.017 3.945 3.960 0.003 0.000 0.209 1128 G C 1.508 176.240 174.900 -0.281 0.000 1.159 1128 G CA 0.226 45.156 45.100 -0.284 0.000 0.828 1128 G HN 0.141 nan 8.290 nan 0.000 0.553 1129 I N 1.269 121.691 120.570 -0.246 0.000 2.264 1129 I HA -0.080 4.092 4.170 0.003 0.000 0.248 1129 I C 2.588 178.525 176.117 -0.301 0.000 1.111 1129 I CA 0.783 61.954 61.300 -0.215 0.000 1.382 1129 I CB -0.767 37.150 38.000 -0.138 0.000 1.060 1129 I HN 0.147 nan 8.210 nan 0.000 0.418 1130 I N 0.308 120.661 120.570 -0.362 0.000 2.423 1130 I HA -0.298 3.874 4.170 0.003 0.000 0.254 1130 I C 2.321 177.762 176.117 -1.127 0.000 1.151 1130 I CA 1.295 62.259 61.300 -0.561 0.000 1.421 1130 I CB 0.119 37.843 38.000 -0.461 0.000 1.079 1130 I HN 0.127 nan 8.210 nan 0.000 0.431 1131 M N 0.073 119.021 119.600 -1.088 0.000 2.541 1131 M HA -0.044 4.438 4.480 0.003 0.000 0.252 1131 M C 1.965 177.700 176.300 -0.941 0.000 1.125 1131 M CA 0.578 54.935 55.300 -1.572 0.000 1.091 1131 M CB -0.211 31.915 32.600 -0.791 0.000 1.420 1131 M HN 0.144 nan 8.290 nan 0.000 0.486 1132 K N 0.576 120.652 120.400 -0.541 0.000 2.113 1132 K HA -0.194 4.128 4.320 0.003 0.000 0.208 1132 K C 0.467 176.979 176.600 -0.146 0.000 1.047 1132 K CA 1.823 57.958 56.287 -0.254 0.000 0.928 1132 K CB -0.288 32.135 32.500 -0.129 0.000 0.716 1132 K HN 0.276 nan 8.250 nan 0.000 0.446 1133 D N -0.153 120.161 120.400 -0.143 0.000 2.363 1133 D HA 0.078 4.720 4.640 0.003 0.000 0.214 1133 D C -0.439 176.007 176.300 0.243 0.000 1.093 1133 D CA -0.107 53.929 54.000 0.060 0.000 0.837 1133 D CB 0.037 40.898 40.800 0.102 0.000 0.948 1133 D HN 0.042 nan 8.370 nan 0.000 0.507 1134 F N 1.704 121.676 119.950 0.036 0.000 2.571 1134 F HA 0.123 4.651 4.527 0.002 0.000 0.384 1134 F C 1.168 177.002 175.800 0.057 0.000 1.058 1134 F CA -0.638 57.422 58.000 0.100 0.000 1.200 1134 F CB 0.537 39.502 39.000 -0.057 0.000 1.077 1134 F HN -0.302 nan 8.300 nan 0.000 0.558 1135 S N 4.288 120.131 115.700 0.239 0.000 2.383 1135 S HA 0.273 4.745 4.470 0.003 0.000 0.196 1135 S C -1.343 173.119 174.600 -0.230 0.000 1.364 1135 S CA -0.337 57.884 58.200 0.035 0.000 1.212 1135 S CB -0.276 62.979 63.200 0.092 0.000 1.171 1135 S HN 0.747 nan 8.310 nan 0.000 0.456 1136 H N 4.128 122.927 119.070 -0.452 0.000 3.029 1136 H HA 0.347 4.904 4.556 0.003 0.000 0.358 1136 H C -2.538 172.610 175.328 -0.299 0.000 1.129 1136 H CA -1.286 54.407 56.048 -0.592 0.000 1.230 1136 H CB 2.537 31.546 29.762 -1.256 0.000 1.827 1136 H HN 0.282 nan 8.280 nan 0.000 0.530 1137 P HA -0.076 nan 4.420 nan 0.000 0.221 1137 P C -0.019 177.246 177.300 -0.058 0.000 1.145 1137 P CA 1.087 64.041 63.100 -0.242 0.000 0.795 1137 P CB 0.380 31.916 31.700 -0.274 0.000 0.775 1138 N N -0.882 117.909 118.700 0.151 0.000 2.273 1138 N HA 0.191 4.933 4.740 0.003 0.000 0.231 1138 N C -0.820 174.737 175.510 0.079 0.000 1.134 1138 N CA -0.171 52.964 53.050 0.142 0.000 0.856 1138 N CB 0.698 39.285 38.487 0.168 0.000 1.068 1138 N HN -0.074 nan 8.380 nan 0.000 0.510 1139 V N 1.389 121.336 119.914 0.056 0.000 2.623 1139 V HA 0.266 4.388 4.120 0.003 0.000 0.304 1139 V C -0.577 175.577 176.094 0.099 0.000 1.054 1139 V CA -0.989 61.334 62.300 0.039 0.000 0.882 1139 V CB 2.217 33.942 31.823 -0.164 0.000 1.002 1139 V HN 0.069 nan 8.190 nan 0.000 0.424 1140 L N 4.275 125.627 121.223 0.215 0.000 2.416 1140 L HA 0.398 4.740 4.340 0.003 0.000 0.272 1140 L C 0.659 177.655 176.870 0.210 0.000 1.161 1140 L CA 1.184 56.135 54.840 0.184 0.000 0.845 1140 L CB 1.214 43.396 42.059 0.204 0.000 1.119 1140 L HN 0.766 nan 8.230 nan 0.000 0.464 1141 S N 3.871 119.639 115.700 0.114 0.000 2.669 1141 S HA 0.530 5.002 4.470 0.003 0.000 0.270 1141 S C -0.644 173.973 174.600 0.028 0.000 1.225 1141 S CA -0.566 57.683 58.200 0.082 0.000 0.991 1141 S CB 1.250 64.477 63.200 0.044 0.000 0.987 1141 S HN 0.581 nan 8.310 nan 0.000 0.552 1142 L N 2.091 123.295 121.223 -0.031 0.000 2.289 1142 L HA 0.438 4.780 4.340 0.003 0.000 0.285 1142 L C 0.298 177.145 176.870 -0.039 0.000 1.049 1142 L CA 0.148 54.952 54.840 -0.060 0.000 0.804 1142 L CB 0.432 42.412 42.059 -0.131 0.000 1.195 1142 L HN 0.716 nan 8.230 nan 0.000 0.428 1143 L N 4.309 125.517 121.223 -0.025 0.000 2.249 1143 L HA 0.463 4.805 4.340 0.003 0.000 0.207 1143 L C 1.013 177.863 176.870 -0.032 0.000 1.090 1143 L CA 0.631 55.460 54.840 -0.018 0.000 0.802 1143 L CB -0.311 41.749 42.059 0.002 0.000 0.947 1143 L HN 0.883 nan 8.230 nan 0.000 0.453 1144 G N -0.369 108.406 108.800 -0.040 0.000 2.341 1144 G HA2 0.271 4.233 3.960 0.003 0.000 0.293 1144 G HA3 0.271 4.233 3.960 0.003 0.000 0.293 1144 G C -1.785 173.087 174.900 -0.046 0.000 1.298 1144 G CA -0.804 44.266 45.100 -0.050 0.000 0.868 1144 G HN -0.114 nan 8.290 nan 0.000 0.540 1145 I N -0.051 120.492 120.570 -0.045 0.000 2.498 1145 I HA 0.474 4.646 4.170 0.003 0.000 0.290 1145 I C -0.319 175.793 176.117 -0.008 0.000 1.032 1145 I CA -0.736 60.543 61.300 -0.036 0.000 1.073 1145 I CB 2.133 40.094 38.000 -0.066 0.000 1.251 1145 I HN 0.632 nan 8.210 nan 0.000 0.426 1146 C N 7.741 127.053 119.300 0.021 0.000 2.281 1146 C HA 0.653 5.115 4.460 0.003 0.000 0.325 1146 C C -0.428 174.584 174.990 0.037 0.000 1.282 1146 C CA -0.461 58.575 59.018 0.029 0.000 1.640 1146 C CB -0.017 27.750 27.740 0.045 0.000 2.288 1146 C HN 0.757 nan 8.230 nan 0.000 0.507 1147 L N 8.125 129.360 121.223 0.020 0.000 2.388 1147 L HA 0.530 4.872 4.340 0.003 0.000 0.267 1147 L C 0.200 177.075 176.870 0.008 0.000 0.995 1147 L CA -0.238 54.611 54.840 0.016 0.000 0.864 1147 L CB 0.315 42.376 42.059 0.003 0.000 1.216 1147 L HN 0.776 nan 8.230 nan 0.000 0.430 1148 R N 1.016 121.523 120.500 0.011 0.000 2.580 1148 R HA 0.245 4.587 4.340 0.003 0.000 0.267 1148 R C 1.414 177.717 176.300 0.007 0.000 1.125 1148 R CA 0.280 56.386 56.100 0.010 0.000 1.188 1148 R CB 0.730 31.036 30.300 0.011 0.000 1.155 1148 R HN 0.742 nan 8.270 nan 0.000 0.586 1149 S N -0.043 115.669 115.700 0.020 0.000 2.400 1149 S HA -0.120 4.352 4.470 0.003 0.000 0.232 1149 S C 0.385 175.024 174.600 0.064 0.000 1.025 1149 S CA 1.099 59.326 58.200 0.045 0.000 0.993 1149 S CB -0.080 63.151 63.200 0.052 0.000 0.808 1149 S HN 0.501 nan 8.310 nan 0.000 0.478 1150 E N 0.133 120.356 120.200 0.039 0.000 2.416 1150 E HA 0.635 4.987 4.350 0.003 0.000 0.273 1150 E C 0.302 176.901 176.600 -0.001 0.000 0.935 1150 E CA -0.168 56.254 56.400 0.036 0.000 0.784 1150 E CB 1.306 31.036 29.700 0.049 0.000 1.301 1150 E HN 0.450 nan 8.360 nan 0.000 0.454 1151 G N 0.738 109.532 108.800 -0.011 0.000 2.757 1151 G HA2 -0.192 3.770 3.960 0.003 0.000 0.638 1151 G HA3 -0.192 3.770 3.960 0.003 0.000 0.638 1151 G C -0.102 174.783 174.900 -0.026 0.000 1.344 1151 G CA -0.232 44.853 45.100 -0.025 0.000 0.855 1151 G HN 0.575 nan 8.290 nan 0.000 0.537 1152 S N 0.911 116.593 115.700 -0.029 0.000 2.568 1152 S HA 0.505 4.977 4.470 0.003 0.000 0.282 1152 S C -1.381 173.239 174.600 0.034 0.000 1.338 1152 S CA 0.077 58.258 58.200 -0.031 0.000 1.045 1152 S CB 0.328 63.485 63.200 -0.072 0.000 0.873 1152 S HN 0.633 nan 8.310 nan 0.000 0.516 1153 P HA 0.327 nan 4.420 nan 0.000 0.272 1153 P C -1.182 176.300 177.300 0.303 0.000 1.230 1153 P CA -0.249 62.956 63.100 0.174 0.000 0.788 1153 P CB 0.319 32.153 31.700 0.222 0.000 0.949 1154 L N 0.891 122.250 121.223 0.226 0.000 2.376 1154 L HA 0.414 4.755 4.340 0.003 0.000 0.275 1154 L C -0.630 176.325 176.870 0.142 0.000 0.987 1154 L CA -1.023 53.963 54.840 0.244 0.000 0.828 1154 L CB 2.061 44.222 42.059 0.169 0.000 1.249 1154 L HN 0.018 nan 8.230 nan 0.000 0.409 1155 V N 4.381 124.368 119.914 0.121 0.000 2.364 1155 V HA 0.286 4.407 4.120 0.003 0.000 0.272 1155 V C 0.099 176.210 176.094 0.028 0.000 1.036 1155 V CA -0.520 61.750 62.300 -0.050 0.000 0.880 1155 V CB 1.720 33.380 31.823 -0.272 0.000 0.991 1155 V HN 0.423 nan 8.190 nan 0.000 0.460 1156 V N 7.488 127.410 119.914 0.013 0.000 2.370 1156 V HA 0.514 4.636 4.120 0.003 0.000 0.279 1156 V C -0.021 176.083 176.094 0.017 0.000 1.029 1156 V CA -0.343 61.978 62.300 0.035 0.000 0.870 1156 V CB 1.256 33.102 31.823 0.038 0.000 0.984 1156 V HN 0.619 nan 8.190 nan 0.000 0.451 1157 L N 5.861 127.102 121.223 0.030 0.000 2.323 1157 L HA 0.622 4.963 4.340 0.003 0.000 0.265 1157 L C -2.617 174.269 176.870 0.027 0.000 1.012 1157 L CA -2.291 52.562 54.840 0.023 0.000 0.820 1157 L CB 2.657 44.731 42.059 0.025 0.000 1.334 1157 L HN 0.367 nan 8.230 nan 0.000 0.427 1158 P HA 0.003 nan 4.420 nan 0.000 0.271 1158 P C -1.297 176.002 177.300 -0.002 0.000 1.216 1158 P CA -0.006 63.104 63.100 0.016 0.000 0.776 1158 P CB 0.231 31.930 31.700 -0.001 0.000 0.881 1159 Y N 3.226 123.432 120.300 -0.156 0.000 2.442 1159 Y HA 0.208 4.758 4.550 0.001 0.000 0.330 1159 Y C 0.108 175.873 175.900 -0.225 0.000 1.129 1159 Y CA -0.015 57.924 58.100 -0.269 0.000 1.365 1159 Y CB 0.421 38.546 38.460 -0.559 0.000 1.233 1159 Y HN 0.200 nan 8.280 nan 0.000 0.529 1160 M N 7.779 126.932 119.600 -0.746 0.000 2.055 1160 M HA 0.131 4.613 4.480 0.003 0.000 0.346 1160 M C 1.026 176.832 176.300 -0.823 0.000 1.074 1160 M CA -0.304 54.646 55.300 -0.582 0.000 1.009 1160 M CB 1.337 33.706 32.600 -0.386 0.000 1.423 1160 M HN 0.851 nan 8.290 nan 0.000 0.410 1161 K N 2.503 122.524 120.400 -0.631 0.000 2.049 1161 K HA -0.226 4.096 4.320 0.003 0.000 0.219 1161 K C 1.101 177.358 176.600 -0.572 0.000 1.056 1161 K CA 1.968 57.919 56.287 -0.561 0.000 0.946 1161 K CB 0.124 32.287 32.500 -0.563 0.000 0.723 1161 K HN 0.637 nan 8.250 nan 0.000 0.453 1162 H N -0.406 118.513 119.070 -0.251 0.000 2.547 1162 H HA 0.141 4.698 4.556 0.003 0.000 0.266 1162 H C 1.254 176.548 175.328 -0.056 0.000 0.988 1162 H CA 0.731 56.718 56.048 -0.102 0.000 1.147 1162 H CB 0.141 29.828 29.762 -0.124 0.000 1.365 1162 H HN 0.554 nan 8.280 nan 0.000 0.589 1163 G N 1.880 110.595 108.800 -0.142 0.000 2.642 1163 G HA2 -0.254 3.708 3.960 0.003 0.000 0.231 1163 G HA3 -0.254 3.708 3.960 0.003 0.000 0.231 1163 G C -0.253 174.596 174.900 -0.085 0.000 1.338 1163 G CA -0.129 44.902 45.100 -0.115 0.000 0.883 1163 G HN 0.507 nan 8.290 nan 0.000 0.570 1164 D N 0.116 120.489 120.400 -0.046 0.000 2.372 1164 D HA 0.235 4.877 4.640 0.003 0.000 0.243 1164 D C 1.694 177.993 176.300 -0.002 0.000 1.121 1164 D CA -0.034 53.935 54.000 -0.050 0.000 0.898 1164 D CB 1.518 42.287 40.800 -0.052 0.000 1.202 1164 D HN 0.597 nan 8.370 nan 0.000 0.428 1165 L N 2.646 123.834 121.223 -0.058 0.000 2.046 1165 L HA -0.151 4.191 4.340 0.003 0.000 0.208 1165 L C 2.732 179.650 176.870 0.081 0.000 1.077 1165 L CA 1.588 56.397 54.840 -0.051 0.000 0.747 1165 L CB -0.687 41.302 42.059 -0.116 0.000 0.896 1165 L HN 0.577 nan 8.230 nan 0.000 0.432 1166 R N -0.635 119.906 120.500 0.068 0.000 2.070 1166 R HA -0.180 4.162 4.340 0.003 0.000 0.233 1166 R C 2.148 178.518 176.300 0.117 0.000 1.137 1166 R CA 1.795 57.955 56.100 0.101 0.000 0.945 1166 R CB -0.303 30.047 30.300 0.083 0.000 0.845 1166 R HN 0.474 nan 8.270 nan 0.000 0.430 1167 N N 0.137 118.900 118.700 0.104 0.000 2.166 1167 N HA -0.202 4.539 4.740 0.003 0.000 0.186 1167 N C 1.603 177.205 175.510 0.153 0.000 1.019 1167 N CA 1.247 54.357 53.050 0.101 0.000 0.856 1167 N CB -0.404 38.130 38.487 0.078 0.000 0.993 1167 N HN 0.179 nan 8.380 nan 0.000 0.426 1168 F N 2.526 122.534 119.950 0.097 0.000 2.095 1168 F HA -0.153 4.375 4.527 0.001 0.000 0.298 1168 F C 2.277 178.217 175.800 0.234 0.000 1.104 1168 F CA 1.330 59.459 58.000 0.216 0.000 1.232 1168 F CB -0.294 38.753 39.000 0.077 0.000 0.987 1168 F HN 0.018 nan 8.300 nan 0.000 0.475 1169 I N -1.610 119.150 120.570 0.315 0.000 2.676 1169 I HA -0.091 4.081 4.170 0.003 0.000 0.259 1169 I C 2.113 178.278 176.117 0.080 0.000 1.194 1169 I CA 1.047 62.485 61.300 0.229 0.000 1.473 1169 I CB -0.588 37.582 38.000 0.283 0.000 1.096 1169 I HN 0.058 nan 8.210 nan 0.000 0.443 1170 R N 1.371 121.900 120.500 0.049 0.000 2.193 1170 R HA 0.051 4.393 4.340 0.003 0.000 0.213 1170 R C 0.808 177.067 176.300 -0.069 0.000 1.055 1170 R CA 0.103 56.204 56.100 0.001 0.000 0.995 1170 R CB -0.358 29.953 30.300 0.018 0.000 0.893 1170 R HN 0.385 nan 8.270 nan 0.000 0.459 1171 N N 2.465 121.074 118.700 -0.153 0.000 2.416 1171 N HA -0.089 4.653 4.740 0.003 0.000 0.271 1171 N C 0.765 176.124 175.510 -0.252 0.000 1.245 1171 N CA 0.264 53.127 53.050 -0.313 0.000 0.940 1171 N CB 0.849 38.879 38.487 -0.761 0.000 1.175 1171 N HN 0.331 nan 8.380 nan 0.000 0.483 1172 E N 1.837 121.937 120.200 -0.167 0.000 2.219 1172 E HA -0.199 4.153 4.350 0.003 0.000 0.198 1172 E C 0.635 177.168 176.600 -0.111 0.000 0.998 1172 E CA 1.454 57.787 56.400 -0.111 0.000 0.818 1172 E CB -0.109 29.544 29.700 -0.078 0.000 0.741 1172 E HN 0.468 nan 8.360 nan 0.000 0.477 1173 T N 0.122 114.583 114.554 -0.156 0.000 2.851 1173 T HA -0.058 4.293 4.350 0.003 0.000 0.262 1173 T C 1.457 176.125 174.700 -0.054 0.000 1.043 1173 T CA 1.275 63.311 62.100 -0.105 0.000 1.140 1173 T CB -0.376 68.430 68.868 -0.103 0.000 0.872 1173 T HN 0.429 nan 8.240 nan 0.000 0.446 1174 H N 1.143 120.092 119.070 -0.201 0.000 2.387 1174 H HA -0.013 4.545 4.556 0.002 0.000 0.299 1174 H C 1.198 176.404 175.328 -0.204 0.000 1.090 1174 H CA 0.409 56.275 56.048 -0.302 0.000 1.332 1174 H CB -0.144 29.216 29.762 -0.669 0.000 1.386 1174 H HN 0.194 nan 8.280 nan 0.000 0.516 1175 N N 1.372 120.059 118.700 -0.021 0.000 2.725 1175 N HA -0.109 4.633 4.740 0.003 0.000 0.280 1175 N C -2.628 172.900 175.510 0.031 0.000 1.017 1175 N CA -0.169 52.872 53.050 -0.016 0.000 0.813 1175 N CB -0.325 38.138 38.487 -0.040 0.000 0.931 1175 N HN 0.277 nan 8.380 nan 0.000 0.570 1176 P HA 0.065 nan 4.420 nan 0.000 0.269 1176 P C 0.320 177.680 177.300 0.100 0.000 1.209 1176 P CA -0.089 63.134 63.100 0.205 0.000 0.776 1176 P CB 0.453 32.386 31.700 0.388 0.000 0.876 1177 T N -1.416 113.200 114.554 0.103 0.000 2.754 1177 T HA 0.121 4.473 4.350 0.003 0.000 0.286 1177 T C 1.484 176.169 174.700 -0.026 0.000 0.997 1177 T CA -0.629 61.491 62.100 0.034 0.000 0.982 1177 T CB -0.037 68.861 68.868 0.049 0.000 1.027 1177 T HN 0.066 nan 8.240 nan 0.000 0.529 1178 V N 1.163 121.033 119.914 -0.074 0.000 2.287 1178 V HA -0.146 3.976 4.120 0.003 0.000 0.248 1178 V C 2.888 178.820 176.094 -0.270 0.000 1.053 1178 V CA 2.372 64.553 62.300 -0.197 0.000 1.027 1178 V CB -0.971 30.681 31.823 -0.286 0.000 0.646 1178 V HN 1.015 nan 8.190 nan 0.000 0.447 1179 K N -0.190 120.092 120.400 -0.197 0.000 2.103 1179 K HA -0.241 4.081 4.320 0.003 0.000 0.207 1179 K C 1.843 178.418 176.600 -0.042 0.000 1.048 1179 K CA 1.943 58.133 56.287 -0.161 0.000 0.930 1179 K CB -0.259 32.210 32.500 -0.052 0.000 0.716 1179 K HN 0.460 nan 8.250 nan 0.000 0.444 1180 D N 0.765 121.200 120.400 0.058 0.000 2.123 1180 D HA -0.177 4.465 4.640 0.003 0.000 0.196 1180 D C 1.937 177.903 176.300 -0.557 0.000 0.992 1180 D CA 1.133 55.149 54.000 0.027 0.000 0.833 1180 D CB -0.135 40.705 40.800 0.068 0.000 0.954 1180 D HN 0.247 nan 8.370 nan 0.000 0.455 1181 L N 0.367 121.395 121.223 -0.326 0.000 2.046 1181 L HA -0.115 4.227 4.340 0.003 0.000 0.208 1181 L C 2.540 179.319 176.870 -0.152 0.000 1.077 1181 L CA 0.675 55.404 54.840 -0.186 0.000 0.747 1181 L CB -0.285 41.749 42.059 -0.041 0.000 0.896 1181 L HN 0.019 nan 8.230 nan 0.000 0.432 1182 I N -0.222 120.252 120.570 -0.161 0.000 2.226 1182 I HA -0.205 3.966 4.170 0.003 0.000 0.245 1182 I C 2.633 178.653 176.117 -0.161 0.000 1.100 1182 I CA 1.394 62.644 61.300 -0.083 0.000 1.374 1182 I CB -0.906 37.076 38.000 -0.030 0.000 1.057 1182 I HN 0.283 nan 8.210 nan 0.000 0.413 1183 G N 0.697 109.242 108.800 -0.426 0.000 2.440 1183 G HA2 -0.222 3.740 3.960 0.003 0.000 0.218 1183 G HA3 -0.222 3.740 3.960 0.003 0.000 0.218 1183 G C 1.647 176.091 174.900 -0.761 0.000 1.154 1183 G CA 0.526 44.863 45.100 -1.272 0.000 0.767 1183 G HN 0.326 nan 8.290 nan 0.000 0.552 1184 F N 1.157 120.876 119.950 -0.386 0.000 2.134 1184 F HA -0.011 4.519 4.527 0.005 0.000 0.299 1184 F C 3.013 178.798 175.800 -0.025 0.000 1.097 1184 F CA 0.260 58.219 58.000 -0.067 0.000 1.264 1184 F CB -0.234 38.779 39.000 0.023 0.000 1.001 1184 F HN 0.244 nan 8.300 nan 0.000 0.479 1185 G N 0.512 109.404 108.800 0.153 0.000 2.440 1185 G HA2 -0.283 3.679 3.960 0.003 0.000 0.218 1185 G HA3 -0.283 3.679 3.960 0.003 0.000 0.218 1185 G C 1.507 176.559 174.900 0.253 0.000 1.154 1185 G CA 0.807 46.010 45.100 0.172 0.000 0.767 1185 G HN 0.242 nan 8.290 nan 0.000 0.552 1186 L N 0.388 121.658 121.223 0.078 0.000 2.046 1186 L HA -0.040 4.302 4.340 0.003 0.000 0.208 1186 L C 2.838 179.742 176.870 0.056 0.000 1.077 1186 L CA 1.971 56.830 54.840 0.031 0.000 0.747 1186 L CB -0.672 41.287 42.059 -0.168 0.000 0.896 1186 L HN 0.319 nan 8.230 nan 0.000 0.432 1187 Q N -1.246 118.597 119.800 0.072 0.000 2.084 1187 Q HA -0.167 4.175 4.340 0.003 0.000 0.202 1187 Q C 2.174 178.235 176.000 0.102 0.000 0.978 1187 Q CA 1.902 57.768 55.803 0.106 0.000 0.844 1187 Q CB -0.232 28.603 28.738 0.162 0.000 0.898 1187 Q HN 0.474 nan 8.270 nan 0.000 0.426 1188 V N 1.018 121.023 119.914 0.151 0.000 2.343 1188 V HA -0.291 3.831 4.120 0.003 0.000 0.247 1188 V C 2.299 178.434 176.094 0.070 0.000 1.051 1188 V CA 1.795 64.188 62.300 0.155 0.000 1.036 1188 V CB -1.039 30.958 31.823 0.290 0.000 0.654 1188 V HN 0.390 nan 8.190 nan 0.000 0.451 1189 A N -0.131 122.744 122.820 0.092 0.000 1.908 1189 A HA -0.269 4.052 4.320 0.003 0.000 0.218 1189 A C 2.301 179.780 177.584 -0.174 0.000 1.181 1189 A CA 2.143 54.045 52.037 -0.225 0.000 0.627 1189 A CB -0.449 18.463 19.000 -0.146 0.000 0.818 1189 A HN 0.565 nan 8.150 nan 0.000 0.445 1190 K N -0.917 119.447 120.400 -0.060 0.000 2.097 1190 K HA -0.065 4.257 4.320 0.003 0.000 0.205 1190 K C 2.125 178.599 176.600 -0.211 0.000 1.050 1190 K CA 0.981 57.247 56.287 -0.035 0.000 0.938 1190 K CB -0.394 32.173 32.500 0.112 0.000 0.718 1190 K HN 0.471 nan 8.250 nan 0.000 0.442 1191 G N 1.073 109.755 108.800 -0.198 0.000 2.402 1191 G HA2 -0.213 3.749 3.960 0.003 0.000 0.216 1191 G HA3 -0.213 3.749 3.960 0.003 0.000 0.216 1191 G C 1.454 176.142 174.900 -0.352 0.000 1.162 1191 G CA 0.520 45.429 45.100 -0.318 0.000 0.777 1191 G HN 0.055 nan 8.290 nan 0.000 0.539 1192 M N 0.539 119.864 119.600 -0.460 0.000 2.254 1192 M HA 0.082 4.564 4.480 0.003 0.000 0.265 1192 M C 2.264 178.127 176.300 -0.730 0.000 1.066 1192 M CA 0.956 55.775 55.300 -0.802 0.000 1.123 1192 M CB -0.839 30.792 32.600 -1.614 0.000 1.388 1192 M HN 0.314 nan 8.290 nan 0.000 0.425 1193 K N -0.329 119.799 120.400 -0.453 0.000 2.063 1193 K HA -0.238 4.084 4.320 0.003 0.000 0.208 1193 K C 2.153 178.675 176.600 -0.131 0.000 1.048 1193 K CA 1.533 57.728 56.287 -0.152 0.000 0.928 1193 K CB -0.336 32.138 32.500 -0.043 0.000 0.713 1193 K HN 0.247 nan 8.250 nan 0.000 0.442 1194 Y N 1.495 121.587 120.300 -0.347 0.000 2.114 1194 Y HA -0.195 4.356 4.550 0.002 0.000 0.284 1194 Y C 1.841 177.613 175.900 -0.214 0.000 1.143 1194 Y CA 1.641 59.550 58.100 -0.319 0.000 1.135 1194 Y CB -0.272 37.799 38.460 -0.648 0.000 0.980 1194 Y HN 0.002 nan 8.280 nan 0.000 0.499 1195 L N -0.099 121.004 121.223 -0.200 0.000 2.042 1195 L HA -0.265 4.077 4.340 0.003 0.000 0.210 1195 L C 2.805 179.629 176.870 -0.077 0.000 1.076 1195 L CA 1.306 56.058 54.840 -0.147 0.000 0.749 1195 L CB -1.049 40.970 42.059 -0.067 0.000 0.893 1195 L HN 0.378 nan 8.230 nan 0.000 0.432 1196 A N 0.004 122.765 122.820 -0.098 0.000 1.933 1196 A HA -0.232 4.090 4.320 0.003 0.000 0.218 1196 A C 2.512 180.059 177.584 -0.060 0.000 1.175 1196 A CA 1.997 54.028 52.037 -0.010 0.000 0.628 1196 A CB -0.705 18.348 19.000 0.089 0.000 0.814 1196 A HN 0.541 nan 8.150 nan 0.000 0.444 1197 S N -0.651 114.974 115.700 -0.125 0.000 2.447 1197 S HA -0.069 4.403 4.470 0.003 0.000 0.233 1197 S C 1.451 175.932 174.600 -0.198 0.000 1.006 1197 S CA 1.203 59.318 58.200 -0.142 0.000 0.957 1197 S CB -0.149 62.963 63.200 -0.147 0.000 0.773 1197 S HN 0.462 nan 8.310 nan 0.000 0.507 1198 K N 0.906 121.150 120.400 -0.261 0.000 2.404 1198 K HA 0.196 4.518 4.320 0.003 0.000 0.194 1198 K C -0.119 176.195 176.600 -0.478 0.000 1.023 1198 K CA -0.034 56.070 56.287 -0.305 0.000 1.094 1198 K CB 0.091 32.480 32.500 -0.184 0.000 0.841 1198 K HN 0.259 nan 8.250 nan 0.000 0.523 1199 K N 0.459 120.675 120.400 -0.306 0.000 3.125 1199 K HA -0.165 4.157 4.320 0.003 0.000 0.268 1199 K C -0.689 175.699 176.600 -0.353 0.000 1.078 1199 K CA 0.711 56.834 56.287 -0.274 0.000 0.775 1199 K CB -2.190 30.161 32.500 -0.249 0.000 1.253 1199 K HN 0.050 nan 8.250 nan 0.000 0.486 1200 F N -0.443 119.488 119.950 -0.032 0.000 2.450 1200 F HA 0.424 4.954 4.527 0.005 0.000 0.332 1200 F C 0.687 176.519 175.800 0.054 0.000 1.093 1200 F CA -1.145 56.857 58.000 0.004 0.000 1.003 1200 F CB 1.654 40.693 39.000 0.065 0.000 1.151 1200 F HN -0.145 nan 8.300 nan 0.000 0.474 1201 V N 4.455 124.528 119.914 0.266 0.000 2.398 1201 V HA 0.224 4.346 4.120 0.003 0.000 0.286 1201 V C 0.717 176.945 176.094 0.223 0.000 1.026 1201 V CA -0.154 62.283 62.300 0.228 0.000 0.868 1201 V CB 1.000 32.939 31.823 0.192 0.000 0.982 1201 V HN 0.912 nan 8.190 nan 0.000 0.443 1202 H N 6.226 125.394 119.070 0.163 0.000 2.343 1202 H HA 0.053 4.611 4.556 0.003 0.000 0.303 1202 H C 1.544 176.890 175.328 0.030 0.000 1.068 1202 H CA 1.999 58.120 56.048 0.122 0.000 1.359 1202 H CB 0.383 30.202 29.762 0.095 0.000 1.402 1202 H HN 0.844 nan 8.280 nan 0.000 0.515 1203 R N -0.759 119.853 120.500 0.187 0.000 3.884 1203 R HA -0.195 4.147 4.340 0.003 0.000 0.464 1203 R C -0.281 176.081 176.300 0.103 0.000 0.963 1203 R CA 1.389 57.494 56.100 0.008 0.000 1.408 1203 R CB -1.558 28.463 30.300 -0.464 0.000 2.054 1203 R HN 0.356 nan 8.270 nan 0.000 0.522 1204 D N 0.221 120.816 120.400 0.325 0.000 2.865 1204 D HA 0.160 4.802 4.640 0.003 0.000 0.347 1204 D C -0.967 175.471 176.300 0.231 0.000 1.498 1204 D CA -0.418 53.718 54.000 0.227 0.000 0.787 1204 D CB 0.396 41.253 40.800 0.094 0.000 1.190 1204 D HN 0.044 nan 8.370 nan 0.000 0.445 1205 L N 1.651 122.981 121.223 0.178 0.000 2.418 1205 L HA 0.611 4.953 4.340 0.003 0.000 0.274 1205 L C -0.460 176.415 176.870 0.007 0.000 1.135 1205 L CA 0.325 55.112 54.840 -0.089 0.000 0.870 1205 L CB 0.299 42.343 42.059 -0.024 0.000 1.154 1205 L HN 0.199 nan 8.230 nan 0.000 0.462 1206 A N 3.936 126.688 122.820 -0.113 0.000 2.608 1206 A HA 0.688 5.010 4.320 0.003 0.000 0.292 1206 A C 0.513 178.064 177.584 -0.055 0.000 1.066 1206 A CA -0.159 51.792 52.037 -0.144 0.000 0.676 1206 A CB 0.501 19.040 19.000 -0.770 0.000 1.277 1206 A HN 1.003 nan 8.150 nan 0.000 0.413 1207 A N 0.921 123.786 122.820 0.075 0.000 1.948 1207 A HA -0.183 4.139 4.320 0.003 0.000 0.220 1207 A C 1.955 179.525 177.584 -0.023 0.000 1.177 1207 A CA 2.138 54.206 52.037 0.051 0.000 0.636 1207 A CB -0.639 18.438 19.000 0.129 0.000 0.815 1207 A HN 1.124 nan 8.150 nan 0.000 0.449 1208 R N -0.863 119.600 120.500 -0.061 0.000 2.193 1208 R HA -0.032 4.310 4.340 0.003 0.000 0.229 1208 R C 0.508 176.731 176.300 -0.128 0.000 1.110 1208 R CA 1.499 57.544 56.100 -0.092 0.000 0.988 1208 R CB -0.478 29.744 30.300 -0.130 0.000 0.871 1208 R HN 0.338 nan 8.270 nan 0.000 0.458 1209 N N 0.084 118.695 118.700 -0.148 0.000 2.322 1209 N HA 0.093 4.834 4.740 0.003 0.000 0.194 1209 N C -0.740 174.674 175.510 -0.159 0.000 1.126 1209 N CA 0.053 53.008 53.050 -0.158 0.000 0.845 1209 N CB 0.390 38.787 38.487 -0.149 0.000 0.976 1209 N HN 0.177 nan 8.380 nan 0.000 0.475 1210 C N 0.948 120.169 119.300 -0.132 0.000 2.493 1210 C HA 0.609 5.071 4.460 0.003 0.000 0.326 1210 C C 0.174 175.082 174.990 -0.136 0.000 1.200 1210 C CA -0.883 58.058 59.018 -0.128 0.000 1.739 1210 C CB 1.371 29.047 27.740 -0.107 0.000 2.300 1210 C HN 0.173 nan 8.230 nan 0.000 0.500 1211 M N 2.088 121.599 119.600 -0.150 0.000 2.690 1211 M HA 0.645 5.127 4.480 0.003 0.000 0.302 1211 M C -1.290 174.869 176.300 -0.235 0.000 1.234 1211 M CA -0.568 54.622 55.300 -0.184 0.000 0.853 1211 M CB 1.616 34.109 32.600 -0.178 0.000 1.748 1211 M HN 0.371 nan 8.290 nan 0.000 0.469 1212 L N 1.655 122.706 121.223 -0.286 0.000 2.356 1212 L HA 0.368 4.710 4.340 0.003 0.000 0.277 1212 L C -0.073 176.623 176.870 -0.292 0.000 0.996 1212 L CA -0.449 54.186 54.840 -0.342 0.000 0.822 1212 L CB 1.535 43.256 42.059 -0.564 0.000 1.256 1212 L HN 0.652 nan 8.230 nan 0.000 0.413 1213 D N 1.677 121.920 120.400 -0.263 0.000 2.478 1213 D HA 0.064 4.706 4.640 0.003 0.000 0.269 1213 D C 0.956 177.063 176.300 -0.322 0.000 1.232 1213 D CA -0.395 53.444 54.000 -0.268 0.000 1.059 1213 D CB 0.495 41.184 40.800 -0.184 0.000 1.104 1213 D HN 0.567 nan 8.370 nan 0.000 0.566 1214 E N 0.278 120.296 120.200 -0.304 0.000 2.265 1214 E HA -0.243 4.109 4.350 0.003 0.000 0.196 1214 E C 0.617 177.038 176.600 -0.298 0.000 0.996 1214 E CA 1.202 57.414 56.400 -0.313 0.000 0.832 1214 E CB -0.383 29.208 29.700 -0.182 0.000 0.756 1214 E HN 0.590 nan 8.360 nan 0.000 0.491 1215 K N -0.173 120.104 120.400 -0.205 0.000 2.397 1215 K HA 0.166 4.487 4.320 0.003 0.000 0.202 1215 K C -0.557 176.079 176.600 0.060 0.000 1.022 1215 K CA -0.124 56.138 56.287 -0.042 0.000 1.141 1215 K CB -0.121 32.382 32.500 0.005 0.000 0.857 1215 K HN -0.053 nan 8.250 nan 0.000 0.514 1216 F N -0.055 119.894 119.950 -0.003 0.000 3.057 1216 F HA -0.256 4.273 4.527 0.003 0.000 0.287 1216 F C -0.030 175.703 175.800 -0.110 0.000 0.834 1216 F CA 0.465 58.380 58.000 -0.142 0.000 1.147 1216 F CB -2.694 36.194 39.000 -0.187 0.000 1.245 1216 F HN -0.088 nan 8.300 nan 0.000 0.509 1217 T N 1.332 115.880 114.554 -0.011 0.000 2.794 1217 T HA 0.507 4.859 4.350 0.003 0.000 0.296 1217 T C 0.490 175.146 174.700 -0.073 0.000 0.949 1217 T CA -0.429 61.672 62.100 0.002 0.000 1.101 1217 T CB 1.398 70.254 68.868 -0.020 0.000 0.905 1217 T HN 0.030 nan 8.240 nan 0.000 0.516 1218 V N 5.313 125.202 119.914 -0.041 0.000 2.498 1218 V HA 0.349 4.471 4.120 0.003 0.000 0.279 1218 V C 0.301 176.364 176.094 -0.052 0.000 1.048 1218 V CA -0.384 61.851 62.300 -0.108 0.000 0.967 1218 V CB 0.832 32.600 31.823 -0.091 0.000 0.988 1218 V HN 0.744 nan 8.190 nan 0.000 0.473 1219 K N 3.393 123.748 120.400 -0.074 0.000 2.397 1219 K HA 0.555 4.877 4.320 0.003 0.000 0.253 1219 K C -1.160 175.420 176.600 -0.034 0.000 0.932 1219 K CA -0.864 55.406 56.287 -0.028 0.000 0.795 1219 K CB 2.509 34.999 32.500 -0.017 0.000 1.159 1219 K HN 0.408 nan 8.250 nan 0.000 0.424 1220 V N 2.789 122.696 119.914 -0.012 0.000 2.485 1220 V HA 0.003 4.125 4.120 0.003 0.000 0.287 1220 V C 0.863 176.949 176.094 -0.012 0.000 1.022 1220 V CA 0.642 62.894 62.300 -0.079 0.000 1.067 1220 V CB 0.614 32.380 31.823 -0.096 0.000 0.967 1220 V HN 1.059 nan 8.190 nan 0.000 0.479 1221 A N 3.833 126.569 122.820 -0.140 0.000 2.070 1221 A HA 0.238 4.559 4.320 0.003 0.000 0.202 1221 A C 0.755 178.298 177.584 -0.070 0.000 1.277 1221 A CA 0.119 52.144 52.037 -0.020 0.000 0.872 1221 A CB 0.107 19.081 19.000 -0.044 0.000 0.933 1221 A HN 0.748 nan 8.150 nan 0.000 0.475 1222 D N -1.672 118.550 120.400 -0.296 0.000 2.193 1222 D HA 0.567 5.209 4.640 0.003 0.000 0.244 1222 D C -0.687 175.313 176.300 -0.499 0.000 1.064 1222 D CA -0.289 53.589 54.000 -0.204 0.000 0.845 1222 D CB 0.602 41.324 40.800 -0.129 0.000 1.148 1222 D HN 0.127 nan 8.370 nan 0.000 0.464 1223 F N 1.849 121.826 119.950 0.045 0.000 2.814 1223 F HA 0.311 4.839 4.527 0.003 0.000 0.326 1223 F C 1.822 177.583 175.800 -0.065 0.000 1.159 1223 F CA -0.684 57.265 58.000 -0.085 0.000 1.234 1223 F CB 1.046 40.032 39.000 -0.023 0.000 1.016 1223 F HN 0.575 nan 8.300 nan 0.000 0.510 1224 G N 0.310 109.191 108.800 0.135 0.000 2.462 1224 G HA2 -0.168 3.793 3.960 0.003 0.000 0.220 1224 G HA3 -0.168 3.793 3.960 0.003 0.000 0.220 1224 G C 1.312 176.232 174.900 0.033 0.000 1.121 1224 G CA 0.916 46.156 45.100 0.232 0.000 0.758 1224 G HN 0.419 nan 8.290 nan 0.000 0.559 1225 L N -0.039 121.091 121.223 -0.154 0.000 2.858 1225 L HA 0.415 4.757 4.340 0.003 0.000 0.251 1225 L C 1.458 178.212 176.870 -0.194 0.000 1.149 1225 L CA -0.451 54.247 54.840 -0.237 0.000 0.955 1225 L CB 0.348 42.180 42.059 -0.378 0.000 1.289 1225 L HN 0.169 nan 8.230 nan 0.000 0.542 1226 A N 1.246 123.971 122.820 -0.159 0.000 2.520 1226 A HA 0.431 4.753 4.320 0.003 0.000 0.235 1226 A C 0.030 177.615 177.584 0.002 0.000 1.065 1226 A CA 0.406 52.400 52.037 -0.070 0.000 0.764 1226 A CB 0.190 19.227 19.000 0.061 0.000 1.002 1226 A HN 0.210 nan 8.150 nan 0.000 0.502 1227 R N 1.168 121.709 120.500 0.069 0.000 2.651 1227 R HA 0.295 4.637 4.340 0.003 0.000 0.278 1227 R C -1.551 174.843 176.300 0.157 0.000 1.010 1227 R CA -0.858 55.292 56.100 0.083 0.000 0.896 1227 R CB 1.592 31.911 30.300 0.031 0.000 1.211 1227 R HN 0.859 nan 8.270 nan 0.000 0.456 1228 D N 2.260 122.679 120.400 0.031 0.000 2.348 1228 D HA 0.136 4.778 4.640 0.003 0.000 0.253 1228 D C 0.641 176.599 176.300 -0.570 0.000 1.161 1228 D CA 0.029 53.861 54.000 -0.280 0.000 0.876 1228 D CB 1.024 41.519 40.800 -0.509 0.000 1.160 1228 D HN 0.407 nan 8.370 nan 0.000 0.459 1229 M N 3.006 122.359 119.600 -0.412 0.000 2.502 1229 M HA -0.012 4.470 4.480 0.003 0.000 0.243 1229 M C 0.151 176.373 176.300 -0.129 0.000 1.130 1229 M CA -0.258 54.919 55.300 -0.205 0.000 1.055 1229 M CB 0.037 32.601 32.600 -0.060 0.000 1.457 1229 M HN 0.431 nan 8.290 nan 0.000 0.488 1230 Y N 0.417 120.678 120.300 -0.064 0.000 2.835 1230 Y HA -0.462 4.090 4.550 0.003 0.000 0.470 1230 Y C 1.070 176.935 175.900 -0.057 0.000 1.154 1230 Y CA 1.637 59.700 58.100 -0.063 0.000 2.680 1230 Y CB -1.478 36.966 38.460 -0.026 0.000 1.184 1230 Y HN 0.285 nan 8.280 nan 0.000 0.622 1231 D N 0.101 120.603 120.400 0.170 0.000 2.469 1231 D HA 0.152 4.794 4.640 0.003 0.000 0.215 1231 D C 0.981 177.324 176.300 0.071 0.000 1.154 1231 D CA 0.183 54.228 54.000 0.075 0.000 0.832 1231 D CB 0.297 41.129 40.800 0.052 0.000 1.008 1231 D HN 0.501 nan 8.370 nan 0.000 0.506 1232 K N 0.761 121.225 120.400 0.106 0.000 2.228 1232 K HA -0.029 4.293 4.320 0.003 0.000 0.202 1232 K C 0.300 176.943 176.600 0.071 0.000 1.051 1232 K CA 0.429 56.773 56.287 0.095 0.000 0.960 1232 K CB 0.337 32.921 32.500 0.140 0.000 0.743 1232 K HN -0.013 nan 8.250 nan 0.000 0.458 1237 V N 4.155 123.991 119.914 -0.130 0.000 2.521 1237 V HA 0.364 4.486 4.120 0.003 0.000 0.286 1237 V C 0.246 176.158 176.094 -0.304 0.000 1.034 1237 V CA 1.071 63.280 62.300 -0.152 0.000 1.045 1237 V CB 0.411 32.256 31.823 0.036 0.000 0.974 1237 V HN 0.999 nan 8.190 nan 0.000 0.480 1238 H N 3.460 122.575 119.070 0.074 0.000 2.367 1238 H HA 0.274 4.832 4.556 0.002 0.000 0.304 1238 H C 1.164 176.521 175.328 0.049 0.000 1.023 1238 H CA 0.661 56.744 56.048 0.058 0.000 1.342 1238 H CB 0.082 29.878 29.762 0.056 0.000 1.486 1238 H HN 0.682 nan 8.280 nan 0.000 0.596 1245 L N 3.254 124.489 121.223 0.020 0.000 2.426 1245 L HA 0.326 4.667 4.340 0.003 0.000 0.271 1245 L C -1.544 175.378 176.870 0.086 0.000 1.169 1245 L CA -1.650 53.214 54.840 0.039 0.000 0.836 1245 L CB 0.283 42.394 42.059 0.086 0.000 1.112 1245 L HN 0.113 nan 8.230 nan 0.000 0.465 1246 P HA 0.049 nan 4.420 nan 0.000 0.237 1246 P C 1.055 178.532 177.300 0.295 0.000 1.788 1246 P CA -0.149 63.060 63.100 0.181 0.000 1.061 1246 P CB 0.561 32.319 31.700 0.097 0.000 1.967 1247 V N 3.081 123.122 119.914 0.212 0.000 2.277 1247 V HA -0.290 3.832 4.120 0.003 0.000 0.253 1247 V C 2.254 178.419 176.094 0.119 0.000 1.067 1247 V CA 2.047 64.426 62.300 0.131 0.000 1.047 1247 V CB -0.807 31.049 31.823 0.055 0.000 0.649 1247 V HN 0.428 nan 8.190 nan 0.000 0.447 1248 K N -1.713 118.803 120.400 0.194 0.000 2.555 1248 K HA -0.097 4.225 4.320 0.003 0.000 0.193 1248 K C 1.516 178.144 176.600 0.046 0.000 1.032 1248 K CA 0.746 57.044 56.287 0.018 0.000 1.004 1248 K CB -0.053 32.398 32.500 -0.082 0.000 0.804 1248 K HN 0.599 nan 8.250 nan 0.000 0.496 1249 W N 0.067 121.474 121.300 0.178 0.000 2.998 1249 W HA 0.262 4.927 4.660 0.009 0.000 0.336 1249 W C 0.123 176.810 176.519 0.279 0.000 1.112 1249 W CA -0.460 57.048 57.345 0.271 0.000 1.682 1249 W CB 0.388 29.986 29.460 0.230 0.000 1.065 1249 W HN -0.019 nan 8.180 nan 0.000 0.570 1250 M N 0.748 120.518 119.600 0.282 0.000 2.249 1250 M HA 0.360 4.842 4.480 0.003 0.000 0.351 1250 M C 0.651 176.643 176.300 -0.515 0.000 1.180 1250 M CA -0.184 55.144 55.300 0.045 0.000 1.127 1250 M CB 1.222 33.858 32.600 0.060 0.000 1.546 1250 M HN -0.257 nan 8.290 nan 0.000 0.461 1251 A N 2.262 124.687 122.820 -0.658 0.000 2.445 1251 A HA 0.123 4.445 4.320 0.003 0.000 0.242 1251 A C 0.864 177.852 177.584 -0.994 0.000 1.075 1251 A CA -0.470 50.792 52.037 -1.290 0.000 0.777 1251 A CB 0.190 18.933 19.000 -0.428 0.000 1.013 1251 A HN 0.988 nan 8.150 nan 0.000 0.493 1252 L N 1.455 121.950 121.223 -1.213 0.000 2.013 1252 L HA -0.215 4.127 4.340 0.003 0.000 0.212 1252 L C 2.533 179.189 176.870 -0.357 0.000 1.073 1252 L CA 2.922 57.407 54.840 -0.592 0.000 0.753 1252 L CB -0.628 41.209 42.059 -0.371 0.000 0.890 1252 L HN 0.893 nan 8.230 nan 0.000 0.432 1253 E N -1.117 118.904 120.200 -0.298 0.000 2.150 1253 E HA -0.167 4.184 4.350 0.003 0.000 0.193 1253 E C 1.916 178.349 176.600 -0.279 0.000 0.985 1253 E CA 1.543 57.816 56.400 -0.212 0.000 0.814 1253 E CB -0.737 28.884 29.700 -0.132 0.000 0.752 1253 E HN 0.579 nan 8.360 nan 0.000 0.466 1254 S N 1.033 116.498 115.700 -0.393 0.000 2.406 1254 S HA 0.043 4.515 4.470 0.003 0.000 0.228 1254 S C 2.106 176.446 174.600 -0.433 0.000 1.020 1254 S CA 0.699 58.539 58.200 -0.599 0.000 0.965 1254 S CB -0.208 62.497 63.200 -0.825 0.000 0.798 1254 S HN 0.193 nan 8.310 nan 0.000 0.488 1255 L N 1.095 122.134 121.223 -0.306 0.000 2.141 1255 L HA -0.109 4.233 4.340 0.003 0.000 0.209 1255 L C 2.616 179.395 176.870 -0.152 0.000 1.094 1255 L CA 1.117 55.841 54.840 -0.192 0.000 0.763 1255 L CB -0.354 41.591 42.059 -0.189 0.000 0.908 1255 L HN 0.332 nan 8.230 nan 0.000 0.437 1256 Q N -1.120 118.581 119.800 -0.166 0.000 2.163 1256 Q HA -0.094 4.248 4.340 0.003 0.000 0.198 1256 Q C 1.991 177.925 176.000 -0.110 0.000 0.954 1256 Q CA 1.826 57.557 55.803 -0.119 0.000 0.851 1256 Q CB 0.159 28.832 28.738 -0.109 0.000 0.928 1256 Q HN 0.577 nan 8.270 nan 0.000 0.459 1257 T N -3.902 110.563 114.554 -0.148 0.000 2.971 1257 T HA 0.103 4.454 4.350 0.003 0.000 0.252 1257 T C 0.470 175.084 174.700 -0.143 0.000 1.022 1257 T CA -0.183 61.841 62.100 -0.126 0.000 0.980 1257 T CB 0.467 69.264 68.868 -0.118 0.000 1.044 1257 T HN 0.171 nan 8.240 nan 0.000 0.501 1258 Q N 0.541 120.205 119.800 -0.227 0.000 2.489 1258 Q HA -0.142 4.199 4.340 0.003 0.000 0.259 1258 Q C -0.889 174.987 176.000 -0.207 0.000 0.934 1258 Q CA 0.782 56.465 55.803 -0.199 0.000 1.131 1258 Q CB -1.603 27.123 28.738 -0.020 0.000 1.472 1258 Q HN 0.641 nan 8.270 nan 0.000 0.560 1259 K N 0.432 120.620 120.400 -0.354 0.000 2.206 1259 K HA 0.654 4.976 4.320 0.003 0.000 0.264 1259 K C -0.581 175.791 176.600 -0.380 0.000 0.967 1259 K CA -0.286 55.891 56.287 -0.185 0.000 0.844 1259 K CB 0.934 33.373 32.500 -0.101 0.000 1.099 1259 K HN -0.103 nan 8.250 nan 0.000 0.441 1260 F N 0.553 120.511 119.950 0.014 0.000 2.532 1260 F HA 0.411 4.941 4.527 0.005 0.000 0.321 1260 F C 0.644 176.482 175.800 0.063 0.000 1.089 1260 F CA -0.596 57.430 58.000 0.043 0.000 0.926 1260 F CB 2.277 41.308 39.000 0.053 0.000 1.168 1260 F HN 0.552 nan 8.300 nan 0.000 0.459 1261 T N -2.981 111.724 114.554 0.251 0.000 2.812 1261 T HA 0.290 4.642 4.350 0.003 0.000 0.294 1261 T C 0.517 175.351 174.700 0.223 0.000 1.159 1261 T CA -0.582 61.630 62.100 0.187 0.000 1.008 1261 T CB 1.376 70.316 68.868 0.121 0.000 1.289 1261 T HN 0.405 nan 8.240 nan 0.000 0.514 1262 T N 0.877 115.548 114.554 0.196 0.000 2.759 1262 T HA -0.058 4.294 4.350 0.003 0.000 0.269 1262 T C 1.787 176.627 174.700 0.233 0.000 1.042 1262 T CA 1.036 63.289 62.100 0.256 0.000 1.140 1262 T CB -0.289 68.711 68.868 0.220 0.000 0.864 1262 T HN 0.470 nan 8.240 nan 0.000 0.455 1263 K N 1.620 122.108 120.400 0.146 0.000 2.211 1263 K HA -0.004 4.318 4.320 0.003 0.000 0.203 1263 K C 2.672 179.391 176.600 0.199 0.000 1.050 1263 K CA 1.267 57.621 56.287 0.111 0.000 0.945 1263 K CB -0.557 31.989 32.500 0.077 0.000 0.732 1263 K HN 0.558 nan 8.250 nan 0.000 0.451 1264 S N 0.838 116.675 115.700 0.227 0.000 2.436 1264 S HA -0.078 4.394 4.470 0.003 0.000 0.228 1264 S C 1.474 176.312 174.600 0.397 0.000 1.014 1264 S CA 0.805 59.167 58.200 0.270 0.000 0.950 1264 S CB -0.045 63.263 63.200 0.180 0.000 0.784 1264 S HN 0.100 nan 8.310 nan 0.000 0.504 1265 D N 1.660 122.306 120.400 0.409 0.000 2.178 1265 D HA 0.011 4.653 4.640 0.003 0.000 0.202 1265 D C 2.036 178.683 176.300 0.578 0.000 0.974 1265 D CA 0.671 54.977 54.000 0.510 0.000 0.841 1265 D CB -0.385 40.742 40.800 0.545 0.000 0.953 1265 D HN 0.300 nan 8.370 nan 0.000 0.478 1266 V N 0.828 120.927 119.914 0.309 0.000 2.343 1266 V HA -0.200 3.922 4.120 0.003 0.000 0.247 1266 V C 2.172 178.452 176.094 0.311 0.000 1.051 1266 V CA 1.234 63.535 62.300 0.001 0.000 1.036 1266 V CB -0.424 31.217 31.823 -0.302 0.000 0.654 1266 V HN 0.395 nan 8.190 nan 0.000 0.451 1267 W N 1.196 122.635 121.300 0.233 0.000 2.333 1267 W HA -0.214 4.448 4.660 0.003 0.000 0.316 1267 W C 2.558 179.359 176.519 0.470 0.000 1.215 1267 W CA 2.221 59.785 57.345 0.367 0.000 1.278 1267 W CB -0.702 28.960 29.460 0.337 0.000 1.154 1267 W HN 0.325 nan 8.180 nan 0.000 0.486 1268 S N 0.739 116.925 115.700 0.810 0.000 2.370 1268 S HA -0.250 4.222 4.470 0.003 0.000 0.226 1268 S C 1.589 176.550 174.600 0.602 0.000 1.033 1268 S CA 1.680 60.312 58.200 0.720 0.000 1.011 1268 S CB -1.121 62.439 63.200 0.599 0.000 0.852 1268 S HN 0.339 nan 8.310 nan 0.000 0.457 1269 F N 2.613 122.818 119.950 0.425 0.000 2.126 1269 F HA -0.067 4.462 4.527 0.002 0.000 0.299 1269 F C 2.263 178.212 175.800 0.249 0.000 1.096 1269 F CA 1.327 59.531 58.000 0.341 0.000 1.255 1269 F CB -0.984 38.272 39.000 0.425 0.000 0.997 1269 F HN 0.212 nan 8.300 nan 0.000 0.479 1270 G N -0.011 108.866 108.800 0.129 0.000 2.440 1270 G HA2 -0.230 3.731 3.960 0.003 0.000 0.218 1270 G HA3 -0.230 3.731 3.960 0.003 0.000 0.218 1270 G C 1.713 176.747 174.900 0.224 0.000 1.154 1270 G CA 1.316 46.325 45.100 -0.152 0.000 0.767 1270 G HN 0.355 nan 8.290 nan 0.000 0.552 1271 V N 0.910 121.123 119.914 0.497 0.000 2.358 1271 V HA -0.116 4.005 4.120 0.003 0.000 0.246 1271 V C 2.671 178.961 176.094 0.327 0.000 1.047 1271 V CA 1.580 64.091 62.300 0.351 0.000 1.035 1271 V CB -0.522 31.328 31.823 0.044 0.000 0.658 1271 V HN 0.402 nan 8.190 nan 0.000 0.452 1272 L N -0.664 120.739 121.223 0.300 0.000 2.042 1272 L HA -0.192 4.150 4.340 0.003 0.000 0.210 1272 L C 2.370 179.270 176.870 0.050 0.000 1.076 1272 L CA 1.684 56.656 54.840 0.220 0.000 0.749 1272 L CB -0.215 41.924 42.059 0.133 0.000 0.893 1272 L HN 0.240 nan 8.230 nan 0.000 0.432 1273 L N -1.449 119.671 121.223 -0.172 0.000 2.042 1273 L HA -0.279 4.063 4.340 0.003 0.000 0.210 1273 L C 2.355 179.266 176.870 0.068 0.000 1.076 1273 L CA 1.953 56.696 54.840 -0.161 0.000 0.749 1273 L CB -0.575 41.308 42.059 -0.294 0.000 0.893 1273 L HN 0.550 nan 8.230 nan 0.000 0.432 1274 W N 1.175 122.484 121.300 0.015 0.000 2.358 1274 W HA -0.192 4.469 4.660 0.001 0.000 0.303 1274 W C 2.416 178.959 176.519 0.041 0.000 1.208 1274 W CA 1.525 58.914 57.345 0.073 0.000 1.274 1274 W CB 0.053 29.605 29.460 0.154 0.000 1.138 1274 W HN 0.098 nan 8.180 nan 0.000 0.515 1275 E N 0.183 120.588 120.200 0.342 0.000 2.077 1275 E HA -0.258 4.094 4.350 0.003 0.000 0.193 1275 E C 2.189 178.817 176.600 0.045 0.000 0.989 1275 E CA 1.643 58.170 56.400 0.211 0.000 0.800 1275 E CB -0.630 29.269 29.700 0.333 0.000 0.746 1275 E HN 0.362 nan 8.360 nan 0.000 0.452 1276 L N 0.336 121.597 121.223 0.064 0.000 1.994 1276 L HA -0.202 4.140 4.340 0.003 0.000 0.208 1276 L C 2.456 179.314 176.870 -0.019 0.000 1.071 1276 L CA 0.832 55.710 54.840 0.062 0.000 0.745 1276 L CB -0.280 41.828 42.059 0.082 0.000 0.892 1276 L HN 0.235 nan 8.230 nan 0.000 0.431 1277 M N -0.784 118.756 119.600 -0.100 0.000 2.460 1277 M HA -0.069 4.413 4.480 0.003 0.000 0.263 1277 M C 2.075 178.234 176.300 -0.236 0.000 1.071 1277 M CA 1.467 56.675 55.300 -0.153 0.000 1.096 1277 M CB -1.574 30.941 32.600 -0.142 0.000 1.408 1277 M HN 0.379 nan 8.290 nan 0.000 0.463 1278 T N -3.163 111.162 114.554 -0.381 0.000 3.122 1278 T HA 0.265 4.617 4.350 0.003 0.000 0.250 1278 T C 0.680 175.262 174.700 -0.198 0.000 1.067 1278 T CA -0.327 61.521 62.100 -0.421 0.000 0.966 1278 T CB -0.126 68.226 68.868 -0.860 0.000 1.002 1278 T HN 0.423 nan 8.240 nan 0.000 0.542 1279 R N 0.654 121.094 120.500 -0.099 0.000 3.422 1279 R HA -0.118 4.223 4.340 0.003 0.000 0.267 1279 R C 0.967 177.270 176.300 0.005 0.000 1.074 1279 R CA 0.427 56.520 56.100 -0.012 0.000 0.718 1279 R CB -2.298 27.996 30.300 -0.009 0.000 1.157 1279 R HN 0.918 nan 8.270 nan 0.000 0.440 1280 G N -1.722 107.087 108.800 0.015 0.000 2.212 1280 G HA2 -0.174 3.788 3.960 0.003 0.000 0.255 1280 G HA3 -0.174 3.788 3.960 0.003 0.000 0.255 1280 G C 0.207 175.152 174.900 0.075 0.000 1.062 1280 G CA 0.066 45.211 45.100 0.074 0.000 0.815 1280 G HN 0.847 nan 8.290 nan 0.000 0.497 1281 A N 0.402 123.229 122.820 0.012 0.000 2.351 1281 A HA 0.785 5.106 4.320 0.003 0.000 0.257 1281 A C -1.270 176.458 177.584 0.241 0.000 1.087 1281 A CA -0.915 51.160 52.037 0.064 0.000 0.798 1281 A CB 0.527 19.492 19.000 -0.058 0.000 1.033 1281 A HN 0.304 nan 8.150 nan 0.000 0.488 1282 P HA 0.301 nan 4.420 nan 0.000 0.280 1282 P C -2.752 174.641 177.300 0.156 0.000 1.244 1282 P CA -1.347 61.884 63.100 0.219 0.000 0.784 1282 P CB 0.395 32.190 31.700 0.158 0.000 0.913 1283 P HA 0.077 nan 4.420 nan 0.000 0.275 1283 P C -0.578 176.470 177.300 -0.421 0.000 1.228 1283 P CA -0.159 62.555 63.100 -0.644 0.000 0.786 1283 P CB 0.023 31.111 31.700 -1.020 0.000 0.927 1284 Y N 0.099 120.104 120.300 -0.493 0.000 2.988 1284 Y HA -0.170 4.381 4.550 0.002 0.000 0.193 1284 Y C -0.990 174.743 175.900 -0.279 0.000 1.388 1284 Y CA -0.053 57.791 58.100 -0.426 0.000 0.904 1284 Y CB -2.460 35.674 38.460 -0.543 0.000 1.297 1284 Y HN 0.453 nan 8.280 nan 0.000 0.432 1285 P HA -0.122 nan 4.420 nan 0.000 0.223 1285 P C 0.591 177.859 177.300 -0.055 0.000 1.151 1285 P CA 1.529 64.610 63.100 -0.031 0.000 0.787 1285 P CB 0.401 32.106 31.700 0.009 0.000 0.788 1286 D N -0.354 119.999 120.400 -0.077 0.000 2.388 1286 D HA 0.139 4.781 4.640 0.003 0.000 0.221 1286 D C 0.002 176.208 176.300 -0.156 0.000 1.133 1286 D CA 0.079 54.028 54.000 -0.085 0.000 0.831 1286 D CB 0.861 41.634 40.800 -0.045 0.000 0.962 1286 D HN 0.061 nan 8.370 nan 0.000 0.502 1287 V N 1.710 121.482 119.914 -0.236 0.000 2.448 1287 V HA 0.200 4.322 4.120 0.003 0.000 0.295 1287 V C 0.269 176.140 176.094 -0.373 0.000 1.025 1287 V CA -1.147 60.928 62.300 -0.375 0.000 0.859 1287 V CB 2.034 33.457 31.823 -0.667 0.000 0.988 1287 V HN 0.016 nan 8.190 nan 0.000 0.431 1288 N N 2.488 120.901 118.700 -0.477 0.000 2.508 1288 N HA 0.110 4.852 4.740 0.003 0.000 0.264 1288 N C 1.278 176.400 175.510 -0.648 0.000 1.216 1288 N CA -0.042 52.603 53.050 -0.674 0.000 0.943 1288 N CB 1.541 39.227 38.487 -1.335 0.000 1.113 1288 N HN 0.637 nan 8.380 nan 0.000 0.447 1289 T N 1.372 115.671 114.554 -0.424 0.000 2.653 1289 T HA -0.200 4.152 4.350 0.003 0.000 0.268 1289 T C 1.609 176.199 174.700 -0.182 0.000 1.035 1289 T CA 1.749 63.722 62.100 -0.210 0.000 1.154 1289 T CB -0.407 68.445 68.868 -0.026 0.000 0.862 1289 T HN 0.650 nan 8.240 nan 0.000 0.441 1290 F N 1.382 121.298 119.950 -0.056 0.000 2.365 1290 F HA 0.110 4.637 4.527 -0.000 0.000 0.300 1290 F C 1.524 177.288 175.800 -0.060 0.000 1.090 1290 F CA 0.497 58.467 58.000 -0.049 0.000 1.408 1290 F CB -0.489 38.492 39.000 -0.032 0.000 1.060 1290 F HN 0.054 nan 8.300 nan 0.000 0.534 1291 D N 0.372 120.598 120.400 -0.290 0.000 2.349 1291 D HA 0.062 4.704 4.640 0.003 0.000 0.214 1291 D C 1.993 178.196 176.300 -0.162 0.000 1.063 1291 D CA 0.173 54.074 54.000 -0.165 0.000 0.847 1291 D CB 0.122 40.786 40.800 -0.227 0.000 0.933 1291 D HN 0.345 nan 8.370 nan 0.000 0.513 1292 I N 1.082 121.511 120.570 -0.235 0.000 2.226 1292 I HA -0.258 3.914 4.170 0.003 0.000 0.245 1292 I C 2.008 178.036 176.117 -0.147 0.000 1.100 1292 I CA 1.506 62.636 61.300 -0.283 0.000 1.374 1292 I CB -0.243 37.519 38.000 -0.397 0.000 1.057 1292 I HN -0.116 nan 8.210 nan 0.000 0.413 1293 T N -0.248 114.241 114.554 -0.107 0.000 2.684 1293 T HA -0.182 4.169 4.350 0.003 0.000 0.267 1293 T C 1.998 176.674 174.700 -0.040 0.000 1.036 1293 T CA 1.943 63.994 62.100 -0.081 0.000 1.148 1293 T CB -0.598 68.228 68.868 -0.070 0.000 0.863 1293 T HN 0.194 nan 8.240 nan 0.000 0.436 1294 V N 0.318 120.224 119.914 -0.013 0.000 2.261 1294 V HA -0.188 3.934 4.120 0.003 0.000 0.246 1294 V C 2.020 178.125 176.094 0.019 0.000 1.047 1294 V CA 1.724 64.026 62.300 0.004 0.000 1.015 1294 V CB -0.822 31.013 31.823 0.018 0.000 0.642 1294 V HN 0.453 nan 8.190 nan 0.000 0.446 1295 Y N 0.503 120.739 120.300 -0.107 0.000 2.102 1295 Y HA -0.289 4.263 4.550 0.005 0.000 0.280 1295 Y C 2.254 178.102 175.900 -0.087 0.000 1.178 1295 Y CA 1.988 60.021 58.100 -0.111 0.000 1.146 1295 Y CB -0.255 38.096 38.460 -0.182 0.000 0.968 1295 Y HN 0.134 nan 8.280 nan 0.000 0.504 1296 L N -1.194 120.056 121.223 0.045 0.000 2.109 1296 L HA -0.180 4.162 4.340 0.003 0.000 0.207 1296 L C 2.298 179.166 176.870 -0.004 0.000 1.086 1296 L CA 0.745 55.605 54.840 0.033 0.000 0.760 1296 L CB -0.549 41.550 42.059 0.065 0.000 0.910 1296 L HN 0.259 nan 8.230 nan 0.000 0.437 1297 L N -0.300 120.908 121.223 -0.025 0.000 2.201 1297 L HA -0.179 4.163 4.340 0.003 0.000 0.212 1297 L C 2.360 179.202 176.870 -0.046 0.000 1.105 1297 L CA 1.553 56.377 54.840 -0.028 0.000 0.775 1297 L CB -0.361 41.680 42.059 -0.029 0.000 0.913 1297 L HN 0.252 nan 8.230 nan 0.000 0.440 1298 Q N -0.913 118.838 119.800 -0.082 0.000 2.482 1298 Q HA 0.093 4.435 4.340 0.003 0.000 0.209 1298 Q C 1.394 177.319 176.000 -0.124 0.000 0.961 1298 Q CA 0.576 56.314 55.803 -0.108 0.000 0.945 1298 Q CB 0.049 28.698 28.738 -0.148 0.000 1.012 1298 Q HN 0.630 nan 8.270 nan 0.000 0.515 1299 G N 1.341 110.078 108.800 -0.106 0.000 2.179 1299 G HA2 -0.280 3.682 3.960 0.003 0.000 0.260 1299 G HA3 -0.280 3.682 3.960 0.003 0.000 0.260 1299 G C 0.056 174.878 174.900 -0.129 0.000 0.977 1299 G CA -0.208 44.839 45.100 -0.088 0.000 0.641 1299 G HN 0.189 nan 8.290 nan 0.000 0.533 1300 R N 0.198 120.538 120.500 -0.267 0.000 2.543 1300 R HA 0.593 4.935 4.340 0.003 0.000 0.277 1300 R C 0.390 176.579 176.300 -0.185 0.000 1.074 1300 R CA 0.032 55.903 56.100 -0.382 0.000 1.076 1300 R CB 0.543 30.253 30.300 -0.983 0.000 0.993 1300 R HN 0.205 nan 8.270 nan 0.000 0.459 1301 R N 1.409 121.871 120.500 -0.065 0.000 2.799 1301 R HA 0.385 4.727 4.340 0.003 0.000 0.270 1301 R C -0.334 175.899 176.300 -0.112 0.000 1.010 1301 R CA -1.234 54.821 56.100 -0.076 0.000 0.916 1301 R CB 0.785 31.071 30.300 -0.024 0.000 1.228 1301 R HN 0.426 nan 8.270 nan 0.000 0.469 1302 L N 2.204 123.101 121.223 -0.542 0.000 2.490 1302 L HA 0.127 4.469 4.340 0.003 0.000 0.274 1302 L C 0.513 177.385 176.870 0.002 0.000 1.201 1302 L CA 0.176 54.616 54.840 -0.667 0.000 0.869 1302 L CB -0.042 41.082 42.059 -1.559 0.000 1.123 1302 L HN 0.234 nan 8.230 nan 0.000 0.484 1303 L N 2.755 124.047 121.223 0.115 0.000 2.439 1303 L HA 0.198 4.540 4.340 0.003 0.000 0.261 1303 L C 0.576 177.508 176.870 0.102 0.000 1.153 1303 L CA -0.353 54.587 54.840 0.166 0.000 0.808 1303 L CB 0.439 42.541 42.059 0.071 0.000 1.126 1303 L HN 0.602 nan 8.230 nan 0.000 0.460 1304 Q N 2.071 121.541 119.800 -0.550 0.000 2.247 1304 Q HA 0.110 4.452 4.340 0.003 0.000 0.288 1304 Q C -2.206 173.607 176.000 -0.311 0.000 1.079 1304 Q CA -1.299 53.977 55.803 -0.878 0.000 0.932 1304 Q CB 0.661 28.711 28.738 -1.147 0.000 1.133 1304 Q HN 0.247 nan 8.270 nan 0.000 0.377 1305 P HA -0.073 nan 4.420 nan 0.000 0.269 1305 P C -0.005 177.154 177.300 -0.234 0.000 1.209 1305 P CA 0.022 62.961 63.100 -0.269 0.000 0.776 1305 P CB 0.692 32.177 31.700 -0.358 0.000 0.876 1306 E N 1.481 121.534 120.200 -0.244 0.000 2.065 1306 E HA -0.263 4.089 4.350 0.003 0.000 0.201 1306 E C 0.433 176.756 176.600 -0.463 0.000 1.016 1306 E CA 1.715 57.887 56.400 -0.381 0.000 0.818 1306 E CB -0.291 29.116 29.700 -0.488 0.000 0.749 1306 E HN 0.548 nan 8.360 nan 0.000 0.453 1307 Y N -0.814 119.421 120.300 -0.108 0.000 2.468 1307 Y HA 0.182 4.734 4.550 0.003 0.000 0.268 1307 Y C 0.518 176.355 175.900 -0.104 0.000 1.177 1307 Y CA -0.670 57.380 58.100 -0.084 0.000 1.265 1307 Y CB 0.195 38.613 38.460 -0.070 0.000 1.103 1307 Y HN 0.077 nan 8.280 nan 0.000 0.522 1308 C N 3.942 123.223 119.300 -0.032 0.000 2.627 1308 C HA 0.237 4.699 4.460 0.003 0.000 0.404 1308 C C -1.946 173.025 174.990 -0.031 0.000 1.340 1308 C CA -2.092 56.892 59.018 -0.057 0.000 1.758 1308 C CB -0.403 27.298 27.740 -0.066 0.000 2.501 1308 C HN 0.210 nan 8.230 nan 0.000 0.588 1309 P HA 0.100 nan 4.420 nan 0.000 0.265 1309 P C 0.405 177.737 177.300 0.052 0.000 1.193 1309 P CA 0.345 63.458 63.100 0.021 0.000 0.765 1309 P CB 0.561 32.262 31.700 0.001 0.000 0.823 1310 D N 4.050 124.490 120.400 0.066 0.000 2.133 1310 D HA -0.151 4.491 4.640 0.003 0.000 0.195 1310 D C -0.663 175.693 176.300 0.093 0.000 0.997 1310 D CA 1.969 56.023 54.000 0.092 0.000 0.840 1310 D CB -1.850 38.993 40.800 0.070 0.000 0.947 1310 D HN 0.422 nan 8.370 nan 0.000 0.452 1311 P HA -0.078 nan 4.420 nan 0.000 0.218 1311 P C 1.600 178.914 177.300 0.024 0.000 1.149 1311 P CA 0.533 63.656 63.100 0.038 0.000 0.817 1311 P CB 0.072 31.795 31.700 0.039 0.000 0.785 1312 L N -1.902 119.342 121.223 0.035 0.000 2.109 1312 L HA -0.102 4.240 4.340 0.003 0.000 0.207 1312 L C 2.291 179.180 176.870 0.032 0.000 1.086 1312 L CA 1.598 56.448 54.840 0.018 0.000 0.760 1312 L CB -1.294 40.765 42.059 0.001 0.000 0.910 1312 L HN -0.100 nan 8.230 nan 0.000 0.437 1313 Y N 0.455 120.728 120.300 -0.046 0.000 2.293 1313 Y HA -0.219 4.333 4.550 0.002 0.000 0.291 1313 Y C 2.525 178.378 175.900 -0.077 0.000 1.137 1313 Y CA 1.938 60.015 58.100 -0.039 0.000 1.202 1313 Y CB -0.159 38.305 38.460 0.006 0.000 0.990 1313 Y HN 0.451 nan 8.280 nan 0.000 0.537 1314 E N -0.682 119.438 120.200 -0.133 0.000 2.077 1314 E HA -0.178 4.174 4.350 0.003 0.000 0.193 1314 E C 2.136 178.580 176.600 -0.259 0.000 0.989 1314 E CA 1.646 57.927 56.400 -0.199 0.000 0.800 1314 E CB -0.179 29.476 29.700 -0.074 0.000 0.746 1314 E HN 0.334 nan 8.360 nan 0.000 0.452 1315 V N 1.075 120.872 119.914 -0.197 0.000 2.287 1315 V HA -0.319 3.802 4.120 0.003 0.000 0.248 1315 V C 2.464 178.330 176.094 -0.379 0.000 1.053 1315 V CA 2.098 64.279 62.300 -0.200 0.000 1.027 1315 V CB -0.444 31.326 31.823 -0.088 0.000 0.646 1315 V HN 0.389 nan 8.190 nan 0.000 0.447 1316 M N -0.872 118.421 119.600 -0.513 0.000 2.080 1316 M HA -0.209 4.273 4.480 0.003 0.000 0.260 1316 M C 2.195 177.636 176.300 -1.432 0.000 1.068 1316 M CA 1.996 56.696 55.300 -1.001 0.000 1.109 1316 M CB -0.553 31.552 32.600 -0.826 0.000 1.342 1316 M HN 0.259 nan 8.290 nan 0.000 0.405 1317 L N -0.162 120.489 121.223 -0.954 0.000 2.079 1317 L HA -0.252 4.089 4.340 0.003 0.000 0.210 1317 L C 2.435 179.049 176.870 -0.425 0.000 1.081 1317 L CA 1.432 55.910 54.840 -0.603 0.000 0.752 1317 L CB -0.673 41.113 42.059 -0.456 0.000 0.896 1317 L HN 0.316 nan 8.230 nan 0.000 0.433 1318 K N -0.776 119.399 120.400 -0.375 0.000 2.097 1318 K HA -0.146 4.176 4.320 0.003 0.000 0.206 1318 K C 2.124 178.581 176.600 -0.239 0.000 1.049 1318 K CA 1.429 57.591 56.287 -0.208 0.000 0.933 1318 K CB -0.267 32.129 32.500 -0.175 0.000 0.717 1318 K HN 0.374 nan 8.250 nan 0.000 0.442 1319 C N -0.172 118.843 119.300 -0.474 0.000 2.432 1319 C HA -0.066 4.396 4.460 0.003 0.000 0.282 1319 C C 1.387 176.125 174.990 -0.419 0.000 1.388 1319 C CA 0.055 58.800 59.018 -0.455 0.000 1.777 1319 C CB -0.730 26.656 27.740 -0.589 0.000 1.882 1319 C HN 0.575 nan 8.230 nan 0.000 0.520 1320 W N -0.027 121.006 121.300 -0.445 0.000 3.223 1320 W HA 0.282 4.944 4.660 0.003 0.000 0.389 1320 W C 0.915 177.265 176.519 -0.281 0.000 1.118 1320 W CA -0.736 56.089 57.345 -0.867 0.000 1.902 1320 W CB -1.523 27.224 29.460 -1.188 0.000 1.094 1320 W HN 0.426 nan 8.180 nan 0.000 0.666 1321 H N 4.189 123.277 119.070 0.029 0.000 3.034 1321 H HA -0.020 4.538 4.556 0.003 0.000 0.324 1321 H C -1.053 174.414 175.328 0.233 0.000 1.015 1321 H CA -0.285 55.818 56.048 0.092 0.000 1.429 1321 H CB 1.494 31.276 29.762 0.034 0.000 1.429 1321 H HN -0.103 nan 8.280 nan 0.000 0.585 1322 P HA -0.104 nan 4.420 nan 0.000 0.222 1322 P C -0.384 177.090 177.300 0.291 0.000 1.147 1322 P CA 1.229 64.484 63.100 0.258 0.000 0.790 1322 P CB 0.389 32.145 31.700 0.094 0.000 0.780 1323 K N 0.118 120.799 120.400 0.468 0.000 2.268 1323 K HA 0.450 4.771 4.320 0.003 0.000 0.276 1323 K C 1.268 177.975 176.600 0.178 0.000 1.080 1323 K CA -0.323 56.125 56.287 0.268 0.000 0.910 1323 K CB 1.090 33.712 32.500 0.204 0.000 1.163 1323 K HN -0.169 nan 8.250 nan 0.000 0.465 1324 A N 3.668 126.568 122.820 0.133 0.000 1.917 1324 A HA -0.249 4.073 4.320 0.003 0.000 0.219 1324 A C 1.977 179.579 177.584 0.031 0.000 1.182 1324 A CA 1.857 53.956 52.037 0.103 0.000 0.633 1324 A CB -0.321 18.729 19.000 0.083 0.000 0.819 1324 A HN 0.878 nan 8.150 nan 0.000 0.448 1325 E N -0.323 119.877 120.200 -0.001 0.000 2.204 1325 E HA -0.188 4.164 4.350 0.003 0.000 0.195 1325 E C 1.605 178.148 176.600 -0.096 0.000 0.990 1325 E CA 1.282 57.660 56.400 -0.037 0.000 0.821 1325 E CB -0.552 29.131 29.700 -0.028 0.000 0.750 1325 E HN 0.577 nan 8.360 nan 0.000 0.477 1326 M N 0.867 120.358 119.600 -0.182 0.000 2.562 1326 M HA 0.112 4.594 4.480 0.003 0.000 0.257 1326 M C 0.842 176.987 176.300 -0.259 0.000 1.099 1326 M CA 0.374 55.465 55.300 -0.349 0.000 1.099 1326 M CB -0.378 31.684 32.600 -0.898 0.000 1.427 1326 M HN -0.048 nan 8.290 nan 0.000 0.489 1327 R N 1.536 121.959 120.500 -0.129 0.000 2.594 1327 R HA 0.199 4.541 4.340 0.003 0.000 0.272 1327 R C -2.122 174.107 176.300 -0.119 0.000 1.074 1327 R CA -1.396 54.653 56.100 -0.084 0.000 1.105 1327 R CB -0.218 30.071 30.300 -0.017 0.000 1.008 1327 R HN 0.027 nan 8.270 nan 0.000 0.472 1328 P HA -0.013 nan 4.420 nan 0.000 0.272 1328 P C -0.503 176.675 177.300 -0.203 0.000 1.230 1328 P CA -0.295 62.715 63.100 -0.149 0.000 0.788 1328 P CB 0.824 32.435 31.700 -0.147 0.000 0.949 1329 S N 0.377 115.982 115.700 -0.159 0.000 2.645 1329 S HA 0.222 4.694 4.470 0.003 0.000 0.266 1329 S C 1.004 175.471 174.600 -0.222 0.000 1.258 1329 S CA -0.279 57.825 58.200 -0.161 0.000 0.990 1329 S CB -0.124 63.042 63.200 -0.056 0.000 0.967 1329 S HN 0.216 nan 8.310 nan 0.000 0.556 1330 F N 0.659 120.553 119.950 -0.093 0.000 2.234 1330 F HA 0.013 4.541 4.527 0.003 0.000 0.299 1330 F C 3.014 178.737 175.800 -0.128 0.000 1.087 1330 F CA 1.336 59.238 58.000 -0.163 0.000 1.340 1330 F CB -0.819 38.078 39.000 -0.172 0.000 1.031 1330 F HN 0.705 nan 8.300 nan 0.000 0.500 1331 S N -0.319 115.429 115.700 0.080 0.000 2.368 1331 S HA -0.249 4.223 4.470 0.003 0.000 0.225 1331 S C 2.175 176.781 174.600 0.010 0.000 1.030 1331 S CA 1.653 59.877 58.200 0.040 0.000 0.999 1331 S CB -0.362 62.857 63.200 0.031 0.000 0.844 1331 S HN 0.524 nan 8.310 nan 0.000 0.459 1332 E N 0.108 120.297 120.200 -0.019 0.000 2.110 1332 E HA -0.092 4.260 4.350 0.003 0.000 0.193 1332 E C 2.080 178.659 176.600 -0.035 0.000 0.988 1332 E CA 1.026 57.407 56.400 -0.032 0.000 0.804 1332 E CB -0.156 29.511 29.700 -0.055 0.000 0.745 1332 E HN 0.536 nan 8.360 nan 0.000 0.458 1333 L N 0.063 121.248 121.223 -0.063 0.000 2.093 1333 L HA -0.165 4.177 4.340 0.003 0.000 0.208 1333 L C 2.472 179.338 176.870 -0.006 0.000 1.085 1333 L CA 0.591 55.398 54.840 -0.055 0.000 0.755 1333 L CB -0.249 41.711 42.059 -0.165 0.000 0.904 1333 L HN 0.100 nan 8.230 nan 0.000 0.435 1334 V N -0.895 119.018 119.914 -0.001 0.000 2.295 1334 V HA -0.284 3.838 4.120 0.003 0.000 0.246 1334 V C 2.568 178.680 176.094 0.029 0.000 1.049 1334 V CA 2.071 64.381 62.300 0.018 0.000 1.024 1334 V CB -0.358 31.479 31.823 0.023 0.000 0.648 1334 V HN 0.385 nan 8.190 nan 0.000 0.447 1335 S N -0.541 115.173 115.700 0.024 0.000 2.356 1335 S HA -0.195 4.277 4.470 0.003 0.000 0.223 1335 S C 2.095 176.716 174.600 0.034 0.000 1.032 1335 S CA 1.563 59.780 58.200 0.029 0.000 1.005 1335 S CB -0.308 62.904 63.200 0.019 0.000 0.867 1335 S HN 0.520 nan 8.310 nan 0.000 0.449 1336 R N 0.558 121.073 120.500 0.025 0.000 2.070 1336 R HA 0.034 4.376 4.340 0.003 0.000 0.233 1336 R C 2.274 178.605 176.300 0.052 0.000 1.137 1336 R CA 1.449 57.566 56.100 0.029 0.000 0.945 1336 R CB -0.538 29.767 30.300 0.010 0.000 0.845 1336 R HN 0.388 nan 8.270 nan 0.000 0.430 1337 I N 0.140 120.749 120.570 0.064 0.000 2.286 1337 I HA -0.265 3.907 4.170 0.003 0.000 0.248 1337 I C 2.627 178.809 176.117 0.109 0.000 1.115 1337 I CA 1.022 62.375 61.300 0.089 0.000 1.392 1337 I CB -0.333 37.737 38.000 0.116 0.000 1.065 1337 I HN 0.167 nan 8.210 nan 0.000 0.418 1338 S N 0.768 116.521 115.700 0.089 0.000 2.370 1338 S HA -0.206 4.266 4.470 0.003 0.000 0.226 1338 S C 2.237 176.931 174.600 0.158 0.000 1.033 1338 S CA 1.530 59.800 58.200 0.117 0.000 1.011 1338 S CB -0.213 63.034 63.200 0.079 0.000 0.852 1338 S HN 0.477 nan 8.310 nan 0.000 0.457 1339 A N 1.131 124.014 122.820 0.106 0.000 1.930 1339 A HA 0.045 4.367 4.320 0.003 0.000 0.217 1339 A C 2.126 179.767 177.584 0.096 0.000 1.175 1339 A CA 1.410 53.500 52.037 0.088 0.000 0.627 1339 A CB -0.716 18.319 19.000 0.058 0.000 0.815 1339 A HN 0.625 nan 8.150 nan 0.000 0.443 1340 I N -1.936 118.696 120.570 0.103 0.000 2.179 1340 I HA -0.226 3.946 4.170 0.003 0.000 0.242 1340 I C 2.335 178.531 176.117 0.131 0.000 1.088 1340 I CA 1.614 62.975 61.300 0.101 0.000 1.357 1340 I CB -0.374 37.673 38.000 0.078 0.000 1.051 1340 I HN 0.445 nan 8.210 nan 0.000 0.409 1341 F N 2.124 122.077 119.950 0.005 0.000 2.043 1341 F HA -0.336 4.193 4.527 0.003 0.000 0.297 1341 F C 2.887 178.695 175.800 0.012 0.000 1.121 1341 F CA 2.127 60.115 58.000 -0.020 0.000 1.199 1341 F CB -0.521 38.447 39.000 -0.053 0.000 0.968 1341 F HN 0.134 nan 8.300 nan 0.000 0.478 1342 S N -1.319 114.431 115.700 0.083 0.000 2.419 1342 S HA -0.189 4.283 4.470 0.003 0.000 0.233 1342 S C 1.830 176.388 174.600 -0.070 0.000 1.016 1342 S CA 1.371 59.561 58.200 -0.016 0.000 0.974 1342 S CB -1.477 61.786 63.200 0.105 0.000 0.786 1342 S HN 0.625 nan 8.310 nan 0.000 0.492 1343 T N -2.366 112.174 114.554 -0.023 0.000 3.081 1343 T HA 0.282 4.634 4.350 0.003 0.000 0.250 1343 T C 0.129 174.803 174.700 -0.042 0.000 1.100 1343 T CA -0.503 61.581 62.100 -0.027 0.000 1.038 1343 T CB -0.606 68.267 68.868 0.007 0.000 0.962 1343 T HN 0.295 nan 8.240 nan 0.000 0.516 1344 F N 3.546 123.391 119.950 -0.175 0.000 2.404 1344 F HA 0.467 4.996 4.527 0.004 0.000 0.359 1344 F C -0.303 175.363 175.800 -0.223 0.000 1.134 1344 F CA -1.983 55.911 58.000 -0.177 0.000 1.160 1344 F CB 0.301 39.192 39.000 -0.183 0.000 1.186 1344 F HN 0.026 nan 8.300 nan 0.000 0.526 1345 I N 6.902 127.095 120.570 -0.629 0.000 2.313 1345 I HA 0.385 4.557 4.170 0.003 0.000 0.286 1345 I C 0.532 176.326 176.117 -0.539 0.000 1.091 1345 I CA -0.109 60.926 61.300 -0.442 0.000 1.216 1345 I CB -0.299 37.529 38.000 -0.287 0.000 1.434 1345 I HN 0.676 nan 8.210 nan 0.000 0.487 1346 G N 5.232 113.811 108.800 -0.368 0.000 2.866 1346 G HA2 0.565 4.527 3.960 0.003 0.000 0.289 1346 G HA3 0.565 4.527 3.960 0.003 0.000 0.289 1346 G C -0.874 173.984 174.900 -0.071 0.000 1.396 1346 G CA -0.644 44.341 45.100 -0.191 0.000 0.848 1346 G HN 0.519 nan 8.290 nan 0.000 0.515 1347 E N -1.027 119.145 120.200 -0.047 0.000 2.373 1347 E HA 0.465 4.817 4.350 0.003 0.000 0.267 1347 E C -0.770 175.762 176.600 -0.112 0.000 1.032 1347 E CA -0.298 56.030 56.400 -0.120 0.000 0.889 1347 E CB 1.200 30.806 29.700 -0.157 0.000 0.984 1347 E HN 0.559 nan 8.360 nan 0.000 0.425 1348 H N 1.011 119.847 119.070 -0.391 0.000 3.029 1348 H HA 0.294 4.852 4.556 0.003 0.000 0.358 1348 H C -1.162 173.811 175.328 -0.592 0.000 1.129 1348 H CA -0.621 55.202 56.048 -0.375 0.000 1.230 1348 H CB 1.291 30.945 29.762 -0.180 0.000 1.827 1348 H HN 0.674 nan 8.280 nan 0.000 0.530 1349 H N 1.965 120.570 119.070 -0.776 0.000 2.348 1349 H HA 0.162 4.720 4.556 0.003 0.000 0.313 1349 H C 0.548 175.264 175.328 -1.021 0.000 1.051 1349 H CA 0.375 55.912 56.048 -0.852 0.000 1.420 1349 H CB 0.056 29.300 29.762 -0.864 0.000 1.484 1349 H HN 0.558 nan 8.280 nan 0.000 0.609 1350 H N 0.737 119.447 119.070 -0.600 0.000 2.711 1350 H HA 0.069 4.627 4.556 0.004 0.000 0.381 1350 H C -0.350 174.563 175.328 -0.692 0.000 1.535 1350 H CA 0.457 56.190 56.048 -0.526 0.000 1.470 1350 H CB 0.165 29.738 29.762 -0.315 0.000 1.551 1350 H HN 0.454 nan 8.280 nan 0.000 0.613 1351 H N 0.446 119.435 119.070 -0.136 0.000 2.595 1351 H HA 0.254 4.812 4.556 0.003 0.000 0.313 1351 H C 0.165 175.418 175.328 -0.126 0.000 1.023 1351 H CA -0.343 55.681 56.048 -0.041 0.000 1.218 1351 H CB 0.453 30.239 29.762 0.040 0.000 1.403 1351 H HN 0.443 nan 8.280 nan 0.000 0.477 1352 H N 0.000 119.242 119.070 0.287 0.000 2.539 1352 H HA 0.000 4.558 4.556 0.003 0.000 0.296 1352 H CA 0.000 56.075 56.048 0.045 0.000 1.023 1352 H CB 0.000 29.587 29.762 -0.291 0.000 1.292 1352 H HN 0.000 nan 8.280 nan 0.000 0.496