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 3a4p_1_A DATA FIRST_RESID 1063 DATA SEQUENCE VQAVQHVVIG PSSLIVHFNE VIGRGHFGCV YHGTLLDXXX KKIHCAVKSL DATA SEQUENCE NRITDIGEVS QFLTEGIIMK DFSHPNVLSL LGICLRSEGS PLVVLPYMKH DATA SEQUENCE GDLRNFIRNE THNPTVKDLI GFGLQVAKGM KFLASKKFVH RDLAARNCML DATA SEQUENCE DEKFTVKVAD FGLARDMYDK XXXXXXXXXX AKLPVKWMAL ESLQTQKFTT DATA SEQUENCE KSDVWSFGVL LWELMTRGAP PYPDVNTFDI TVYLLQGRRL LQPEYCPDPL DATA SEQUENCE YEVMLKCWHP KAEMRPSFSE LVSRISAIFS TFIGEHYVHV NATYVNVK 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 1063 V HA 0.000 nan 4.120 nan 0.000 0.244 1063 V C 0.000 176.080 176.094 -0.023 0.000 1.182 1063 V CA 0.000 62.287 62.300 -0.021 0.000 1.235 1063 V CB 0.000 31.815 31.823 -0.014 0.000 1.184 1064 Q N 0.699 120.490 119.800 -0.015 0.000 1.993 1064 Q HA -0.180 4.170 4.340 0.015 0.000 0.202 1064 Q C 2.055 178.049 176.000 -0.011 0.000 0.984 1064 Q CA 2.670 58.468 55.803 -0.008 0.000 0.837 1064 Q CB -0.247 28.491 28.738 0.000 0.000 0.902 1064 Q HN 0.760 nan 8.270 nan 0.000 0.423 1065 A N 0.095 122.907 122.820 -0.013 0.000 1.933 1065 A HA -0.116 4.213 4.320 0.015 0.000 0.218 1065 A C 2.172 179.707 177.584 -0.081 0.000 1.175 1065 A CA 1.381 53.412 52.037 -0.010 0.000 0.628 1065 A CB -0.723 18.276 19.000 -0.002 0.000 0.814 1065 A HN 0.328 nan 8.150 nan 0.000 0.444 1066 V N -0.295 119.553 119.914 -0.110 0.000 2.913 1066 V HA -0.229 3.901 4.120 0.015 0.000 0.260 1066 V C 2.580 178.525 176.094 -0.249 0.000 1.098 1066 V CA 2.208 64.395 62.300 -0.187 0.000 1.121 1066 V CB -0.414 31.345 31.823 -0.106 0.000 0.714 1066 V HN 0.696 nan 8.190 nan 0.000 0.487 1067 Q N 0.909 120.621 119.800 -0.146 0.000 2.173 1067 Q HA -0.272 4.077 4.340 0.015 0.000 0.208 1067 Q C 1.909 177.873 176.000 -0.060 0.000 0.989 1067 Q CA 2.567 58.324 55.803 -0.078 0.000 0.872 1067 Q CB -0.471 28.257 28.738 -0.017 0.000 0.909 1067 Q HN 1.026 nan 8.270 nan 0.000 0.420 1068 H N -2.722 116.348 119.070 -0.000 0.000 2.561 1068 H HA 0.045 4.611 4.556 0.016 0.000 0.278 1068 H C 1.257 176.583 175.328 -0.003 0.000 1.014 1068 H CA 1.135 57.183 56.048 -0.001 0.000 1.211 1068 H CB -0.157 29.606 29.762 0.001 0.000 1.365 1068 H HN 0.120 nan 8.280 nan 0.000 0.594 1069 V N -0.020 119.824 119.914 -0.116 0.000 2.627 1069 V HA 0.021 4.150 4.120 0.015 0.000 0.239 1069 V C 0.951 177.030 176.094 -0.025 0.000 1.077 1069 V CA 0.332 62.605 62.300 -0.044 0.000 1.103 1069 V CB 0.115 31.866 31.823 -0.120 0.000 0.802 1069 V HN 0.224 nan 8.190 nan 0.000 0.482 1070 V N 2.769 122.656 119.914 -0.046 0.000 2.557 1070 V HA 0.003 4.132 4.120 0.015 0.000 0.301 1070 V C -0.068 176.020 176.094 -0.009 0.000 1.026 1070 V CA 0.779 63.063 62.300 -0.026 0.000 1.137 1070 V CB -0.073 31.732 31.823 -0.031 0.000 0.917 1070 V HN 0.252 nan 8.190 nan 0.000 0.484 1071 I N 3.988 124.554 120.570 -0.006 0.000 2.377 1071 I HA 0.473 4.652 4.170 0.015 0.000 0.293 1071 I C 1.071 177.187 176.117 -0.003 0.000 0.987 1071 I CA -0.248 61.051 61.300 -0.003 0.000 1.185 1071 I CB 1.513 39.511 38.000 -0.004 0.000 1.341 1071 I HN 0.702 nan 8.210 nan 0.000 0.455 1072 G N 5.806 114.605 108.800 -0.002 0.000 2.432 1072 G HA2 0.163 4.132 3.960 0.015 0.000 0.239 1072 G HA3 0.163 4.132 3.960 0.015 0.000 0.239 1072 G C -1.853 173.046 174.900 -0.002 0.000 1.291 1072 G CA -0.784 44.315 45.100 -0.001 0.000 0.863 1072 G HN 0.448 nan 8.290 nan 0.000 0.560 1073 P HA -0.078 nan 4.420 nan 0.000 0.219 1073 P C 1.984 179.283 177.300 -0.003 0.000 1.146 1073 P CA 1.056 64.156 63.100 0.001 0.000 0.808 1073 P CB 0.313 32.016 31.700 0.005 0.000 0.779 1074 S N -1.151 114.547 115.700 -0.003 0.000 2.474 1074 S HA -0.043 4.436 4.470 0.015 0.000 0.235 1074 S C 1.768 176.363 174.600 -0.007 0.000 0.997 1074 S CA 1.070 59.267 58.200 -0.005 0.000 0.949 1074 S CB -0.639 62.559 63.200 -0.003 0.000 0.766 1074 S HN 0.183 nan 8.310 nan 0.000 0.517 1075 S N 0.536 116.232 115.700 -0.007 0.000 2.548 1075 S HA 0.254 4.733 4.470 0.015 0.000 0.215 1075 S C 0.092 174.683 174.600 -0.014 0.000 0.976 1075 S CA -0.122 58.073 58.200 -0.008 0.000 0.908 1075 S CB 0.068 63.266 63.200 -0.004 0.000 0.781 1075 S HN 0.332 nan 8.310 nan 0.000 0.519 1076 L N 2.245 123.455 121.223 -0.021 0.000 2.325 1076 L HA 0.511 4.860 4.340 0.015 0.000 0.281 1076 L C -1.147 175.685 176.870 -0.062 0.000 1.004 1076 L CA -0.322 54.496 54.840 -0.036 0.000 0.823 1076 L CB 0.799 42.840 42.059 -0.030 0.000 1.236 1076 L HN -0.018 nan 8.230 nan 0.000 0.415 1077 I N 6.835 127.341 120.570 -0.108 0.000 2.330 1077 I HA 0.263 4.442 4.170 0.015 0.000 0.286 1077 I C -0.438 175.460 176.117 -0.364 0.000 1.025 1077 I CA -0.513 60.665 61.300 -0.204 0.000 1.197 1077 I CB 1.481 39.349 38.000 -0.221 0.000 1.358 1077 I HN 0.284 nan 8.210 nan 0.000 0.467 1078 V N 6.302 126.037 119.914 -0.299 0.000 2.432 1078 V HA 0.180 4.310 4.120 0.015 0.000 0.275 1078 V C 0.416 176.255 176.094 -0.425 0.000 1.043 1078 V CA -0.600 61.475 62.300 -0.376 0.000 0.925 1078 V CB 0.788 32.367 31.823 -0.406 0.000 0.985 1078 V HN 0.499 nan 8.190 nan 0.000 0.466 1079 H N 5.700 124.683 119.070 -0.146 0.000 2.914 1079 H HA 0.217 4.782 4.556 0.015 0.000 0.264 1079 H C 0.434 175.680 175.328 -0.137 0.000 1.433 1079 H CA -0.350 55.655 56.048 -0.071 0.000 1.342 1079 H CB 0.297 30.055 29.762 -0.006 0.000 1.582 1079 H HN 0.613 nan 8.280 nan 0.000 0.525 1080 F N 1.717 121.590 119.950 -0.129 0.000 2.641 1080 F HA -0.132 4.404 4.527 0.015 0.000 0.298 1080 F C 1.821 177.604 175.800 -0.028 0.000 1.146 1080 F CA 0.803 58.607 58.000 -0.327 0.000 1.464 1080 F CB -0.079 38.723 39.000 -0.330 0.000 1.101 1080 F HN 0.562 nan 8.300 nan 0.000 0.585 1081 N N -0.497 118.322 118.700 0.199 0.000 2.424 1081 N HA -0.046 4.703 4.740 0.015 0.000 0.178 1081 N C 0.043 175.659 175.510 0.177 0.000 1.060 1081 N CA 0.396 53.547 53.050 0.168 0.000 0.901 1081 N CB -0.174 38.376 38.487 0.105 0.000 0.979 1081 N HN 0.170 nan 8.380 nan 0.000 0.451 1082 E N 1.150 121.479 120.200 0.214 0.000 2.546 1082 E HA 0.229 4.588 4.350 0.015 0.000 0.227 1082 E C -1.065 175.734 176.600 0.331 0.000 1.009 1082 E CA -0.537 55.976 56.400 0.188 0.000 0.813 1082 E CB 1.404 31.114 29.700 0.017 0.000 1.269 1082 E HN 0.021 nan 8.360 nan 0.000 0.432 1083 V N 3.561 123.632 119.914 0.262 0.000 2.637 1083 V HA 0.050 4.179 4.120 0.015 0.000 0.296 1083 V C 1.231 177.374 176.094 0.080 0.000 1.046 1083 V CA 0.435 62.805 62.300 0.117 0.000 1.066 1083 V CB 0.986 32.845 31.823 0.060 0.000 0.968 1083 V HN 0.721 nan 8.190 nan 0.000 0.483 1084 I N 2.276 122.828 120.570 -0.030 0.000 3.526 1084 I HA 0.382 4.561 4.170 0.015 0.000 0.294 1084 I C 1.034 177.101 176.117 -0.083 0.000 1.229 1084 I CA 0.799 62.075 61.300 -0.038 0.000 1.408 1084 I CB 0.624 38.544 38.000 -0.134 0.000 1.127 1084 I HN 0.791 nan 8.210 nan 0.000 0.439 1085 G N 0.894 109.625 108.800 -0.116 0.000 2.596 1085 G HA2 0.406 4.376 3.960 0.015 0.000 0.296 1085 G HA3 0.406 4.376 3.960 0.015 0.000 0.296 1085 G C -1.414 173.465 174.900 -0.036 0.000 1.513 1085 G CA -0.762 44.290 45.100 -0.079 0.000 0.851 1085 G HN -0.211 nan 8.290 nan 0.000 0.548 1086 R N 0.016 120.538 120.500 0.037 0.000 2.460 1086 R HA 0.787 5.137 4.340 0.015 0.000 0.303 1086 R C -0.016 176.311 176.300 0.046 0.000 0.968 1086 R CA -0.537 55.571 56.100 0.014 0.000 0.889 1086 R CB 2.129 32.418 30.300 -0.018 0.000 1.123 1086 R HN 0.842 nan 8.270 nan 0.000 0.455 1087 G N -0.279 108.496 108.800 -0.042 0.000 2.619 1087 G HA2 0.292 4.261 3.960 0.015 0.000 0.296 1087 G HA3 0.292 4.261 3.960 0.015 0.000 0.296 1087 G C 0.008 174.769 174.900 -0.232 0.000 1.334 1087 G CA -0.574 44.375 45.100 -0.252 0.000 0.934 1087 G HN 0.713 nan 8.290 nan 0.000 0.476 1088 H N 0.110 118.990 119.070 -0.317 0.000 2.426 1088 H HA -0.073 4.490 4.556 0.011 0.000 0.298 1088 H C 0.944 176.058 175.328 -0.358 0.000 1.107 1088 H CA 1.721 57.532 56.048 -0.395 0.000 1.298 1088 H CB 0.071 29.452 29.762 -0.635 0.000 1.377 1088 H HN 0.377 nan 8.280 nan 0.000 0.519 1089 F N 0.210 120.178 119.950 0.030 0.000 2.750 1089 F HA 0.339 4.876 4.527 0.016 0.000 0.297 1089 F C 0.889 176.704 175.800 0.025 0.000 1.138 1089 F CA 0.001 58.017 58.000 0.026 0.000 1.346 1089 F CB 1.053 40.053 39.000 -0.000 0.000 0.965 1089 F HN 0.224 nan 8.300 nan 0.000 0.514 1090 G N -0.587 108.315 108.800 0.170 0.000 2.355 1090 G HA2 0.001 3.970 3.960 0.015 0.000 0.619 1090 G HA3 0.001 3.970 3.960 0.015 0.000 0.619 1090 G C -1.648 173.295 174.900 0.072 0.000 1.337 1090 G CA -1.349 43.834 45.100 0.138 0.000 0.993 1090 G HN 0.033 nan 8.290 nan 0.000 0.599 1091 C N -0.665 118.651 119.300 0.025 0.000 2.358 1091 C HA 0.825 5.294 4.460 0.015 0.000 0.354 1091 C C 0.647 175.416 174.990 -0.368 0.000 1.183 1091 C CA -0.416 58.479 59.018 -0.205 0.000 2.150 1091 C CB 1.148 28.649 27.740 -0.397 0.000 2.361 1091 C HN 0.783 nan 8.230 nan 0.000 0.535 1092 V N 2.380 122.006 119.914 -0.481 0.000 2.459 1092 V HA 0.533 4.662 4.120 0.015 0.000 0.295 1092 V C -1.057 174.690 176.094 -0.577 0.000 1.029 1092 V CA -0.510 61.547 62.300 -0.404 0.000 0.874 1092 V CB 0.663 32.341 31.823 -0.242 0.000 0.985 1092 V HN 0.846 nan 8.190 nan 0.000 0.438 1093 Y N 1.246 121.499 120.300 -0.078 0.000 2.570 1093 Y HA 0.547 5.104 4.550 0.012 0.000 0.345 1093 Y C 0.641 176.547 175.900 0.012 0.000 1.014 1093 Y CA -1.119 56.965 58.100 -0.027 0.000 1.063 1093 Y CB 1.180 39.546 38.460 -0.156 0.000 1.272 1093 Y HN 0.543 nan 8.280 nan 0.000 0.477 1094 H N 0.046 119.230 119.070 0.189 0.000 2.757 1094 H HA 0.419 4.983 4.556 0.014 0.000 0.370 1094 H C 0.000 175.439 175.328 0.185 0.000 1.172 1094 H CA 0.567 56.718 56.048 0.172 0.000 1.426 1094 H CB 1.018 30.923 29.762 0.238 0.000 1.438 1094 H HN 0.902 nan 8.280 nan 0.000 0.612 1095 G N -0.073 108.893 108.800 0.277 0.000 2.672 1095 G HA2 0.394 4.363 3.960 0.015 0.000 0.292 1095 G HA3 0.394 4.363 3.960 0.015 0.000 0.292 1095 G C -1.240 173.782 174.900 0.202 0.000 1.375 1095 G CA -0.556 44.623 45.100 0.131 0.000 0.890 1095 G HN 0.492 nan 8.290 nan 0.000 0.476 1096 T N 0.884 115.473 114.554 0.059 0.000 2.840 1096 T HA 0.494 4.854 4.350 0.015 0.000 0.287 1096 T C -0.907 173.805 174.700 0.019 0.000 0.991 1096 T CA -0.333 61.822 62.100 0.092 0.000 0.964 1096 T CB 1.549 70.495 68.868 0.130 0.000 0.954 1096 T HN 0.412 nan 8.240 nan 0.000 0.438 1097 L N 4.179 125.421 121.223 0.032 0.000 2.334 1097 L HA 0.700 5.049 4.340 0.015 0.000 0.275 1097 L C -1.000 175.879 176.870 0.014 0.000 1.036 1097 L CA -0.709 54.139 54.840 0.012 0.000 0.807 1097 L CB 0.885 42.951 42.059 0.012 0.000 1.231 1097 L HN 0.594 nan 8.230 nan 0.000 0.438 1098 L N 2.250 123.477 121.223 0.006 0.000 2.304 1098 L HA 0.556 4.905 4.340 0.015 0.000 0.268 1098 L C -0.330 176.543 176.870 0.005 0.000 1.010 1098 L CA -0.958 53.885 54.840 0.006 0.000 0.813 1098 L CB 1.526 43.586 42.059 0.002 0.000 1.315 1098 L HN 0.768 nan 8.230 nan 0.000 0.445 1104 K N 3.800 124.205 120.400 0.007 0.000 2.389 1104 K HA 0.479 4.808 4.320 0.015 0.000 0.261 1104 K C -0.414 176.200 176.600 0.023 0.000 1.014 1104 K CA -0.589 55.706 56.287 0.014 0.000 0.920 1104 K CB 0.774 33.277 32.500 0.004 0.000 1.149 1104 K HN 0.395 nan 8.250 nan 0.000 0.444 1105 I N 1.920 122.512 120.570 0.037 0.000 2.385 1105 I HA 0.150 4.329 4.170 0.015 0.000 0.294 1105 I C 0.456 176.636 176.117 0.105 0.000 0.988 1105 I CA -0.632 60.701 61.300 0.055 0.000 1.265 1105 I CB 0.886 38.908 38.000 0.038 0.000 1.388 1105 I HN 0.505 nan 8.210 nan 0.000 0.480 1106 H N 5.677 124.733 119.070 -0.023 0.000 2.580 1106 H HA 0.508 5.073 4.556 0.015 0.000 0.322 1106 H C -0.791 174.531 175.328 -0.010 0.000 1.082 1106 H CA -0.792 55.215 56.048 -0.067 0.000 1.383 1106 H CB 1.037 30.689 29.762 -0.183 0.000 1.450 1106 H HN 0.907 nan 8.280 nan 0.000 0.505 1107 C N 2.913 122.170 119.300 -0.071 0.000 3.154 1107 C HA 0.894 5.363 4.460 0.015 0.000 0.312 1107 C C -0.340 174.583 174.990 -0.112 0.000 1.349 1107 C CA -0.874 58.100 59.018 -0.073 0.000 1.518 1107 C CB 0.723 28.454 27.740 -0.015 0.000 1.934 1107 C HN 0.921 nan 8.230 nan 0.000 0.462 1108 A N 0.607 123.389 122.820 -0.062 0.000 2.317 1108 A HA 0.801 5.131 4.320 0.015 0.000 0.327 1108 A C -0.827 176.720 177.584 -0.062 0.000 1.178 1108 A CA -0.458 51.534 52.037 -0.075 0.000 0.817 1108 A CB 0.828 19.753 19.000 -0.125 0.000 1.189 1108 A HN 1.462 nan 8.150 nan 0.000 0.489 1109 V N 2.883 122.778 119.914 -0.031 0.000 2.409 1109 V HA 0.339 4.469 4.120 0.015 0.000 0.290 1109 V C 0.051 176.151 176.094 0.010 0.000 1.017 1109 V CA -0.701 61.590 62.300 -0.014 0.000 0.841 1109 V CB 1.335 33.149 31.823 -0.015 0.000 1.003 1109 V HN 0.905 nan 8.190 nan 0.000 0.426 1110 K N 3.049 123.438 120.400 -0.018 0.000 2.227 1110 K HA 0.454 4.783 4.320 0.015 0.000 0.280 1110 K C 0.388 177.020 176.600 0.054 0.000 1.041 1110 K CA -0.131 56.156 56.287 0.000 0.000 0.905 1110 K CB 1.075 33.563 32.500 -0.020 0.000 1.068 1110 K HN 0.834 nan 8.250 nan 0.000 0.470 1111 S N 5.078 120.860 115.700 0.136 0.000 2.475 1111 S HA 0.333 4.812 4.470 0.015 0.000 0.281 1111 S C -0.160 174.520 174.600 0.133 0.000 1.198 1111 S CA -0.918 57.389 58.200 0.178 0.000 1.063 1111 S CB 0.344 63.748 63.200 0.339 0.000 0.972 1111 S HN 0.477 nan 8.310 nan 0.000 0.486 1112 L N 3.855 125.133 121.223 0.091 0.000 2.275 1112 L HA 0.450 4.799 4.340 0.015 0.000 0.288 1112 L C 0.870 177.814 176.870 0.123 0.000 1.046 1112 L CA -0.941 53.947 54.840 0.079 0.000 0.805 1112 L CB 0.690 42.738 42.059 -0.018 0.000 1.193 1112 L HN 0.596 nan 8.230 nan 0.000 0.426 1113 N N 1.032 119.824 118.700 0.152 0.000 2.216 1113 N HA -0.100 4.649 4.740 0.015 0.000 0.183 1113 N C 1.945 177.532 175.510 0.128 0.000 1.017 1113 N CA 0.524 53.663 53.050 0.147 0.000 0.861 1113 N CB -0.059 38.527 38.487 0.165 0.000 0.986 1113 N HN 0.340 nan 8.380 nan 0.000 0.428 1114 R N 0.970 121.552 120.500 0.137 0.000 2.112 1114 R HA -0.064 4.286 4.340 0.015 0.000 0.242 1114 R C 1.631 177.986 176.300 0.091 0.000 1.137 1114 R CA 1.150 57.319 56.100 0.116 0.000 0.944 1114 R CB -2.095 28.276 30.300 0.118 0.000 0.857 1114 R HN 0.478 nan 8.270 nan 0.000 0.435 1115 I N 1.181 121.817 120.570 0.110 0.000 2.906 1115 I HA 0.158 4.337 4.170 0.015 0.000 0.301 1115 I C 1.261 177.406 176.117 0.047 0.000 1.221 1115 I CA 1.545 62.896 61.300 0.085 0.000 1.435 1115 I CB -0.623 37.443 38.000 0.109 0.000 1.345 1115 I HN 0.546 nan 8.210 nan 0.000 0.558 1116 T N 1.904 116.469 114.554 0.019 0.000 3.285 1116 T HA 0.125 4.484 4.350 0.015 0.000 0.263 1116 T C 0.323 175.017 174.700 -0.010 0.000 0.836 1116 T CA 0.182 62.287 62.100 0.009 0.000 0.849 1116 T CB -0.356 68.518 68.868 0.010 0.000 1.252 1116 T HN 0.823 nan 8.240 nan 0.000 0.617 1117 D N 1.355 121.737 120.400 -0.030 0.000 2.472 1117 D HA 0.382 5.031 4.640 0.015 0.000 0.237 1117 D C 1.692 177.962 176.300 -0.049 0.000 1.141 1117 D CA 0.718 54.688 54.000 -0.050 0.000 0.875 1117 D CB 0.672 41.420 40.800 -0.086 0.000 1.192 1117 D HN 0.291 nan 8.370 nan 0.000 0.450 1118 I N 2.106 122.650 120.570 -0.043 0.000 2.252 1118 I HA -0.059 4.120 4.170 0.015 0.000 0.245 1118 I C 2.206 178.289 176.117 -0.057 0.000 1.102 1118 I CA 2.227 63.503 61.300 -0.040 0.000 1.385 1118 I CB -1.438 36.542 38.000 -0.032 0.000 1.064 1118 I HN 0.563 nan 8.210 nan 0.000 0.414 1119 G N 0.590 109.346 108.800 -0.073 0.000 2.404 1119 G HA2 -0.243 3.726 3.960 0.015 0.000 0.215 1119 G HA3 -0.243 3.726 3.960 0.015 0.000 0.215 1119 G C 1.552 176.364 174.900 -0.146 0.000 1.174 1119 G CA 0.923 45.967 45.100 -0.094 0.000 0.780 1119 G HN 0.833 nan 8.290 nan 0.000 0.537 1120 E N 0.245 120.326 120.200 -0.198 0.000 2.435 1120 E HA 0.047 4.407 4.350 0.015 0.000 0.195 1120 E C 2.121 178.527 176.600 -0.323 0.000 1.029 1120 E CA 0.386 56.561 56.400 -0.374 0.000 0.865 1120 E CB -0.019 29.411 29.700 -0.450 0.000 0.833 1120 E HN 0.268 nan 8.360 nan 0.000 0.510 1121 V N 0.964 120.802 119.914 -0.126 0.000 2.379 1121 V HA -0.184 3.945 4.120 0.015 0.000 0.245 1121 V C 2.350 178.437 176.094 -0.012 0.000 1.044 1121 V CA 1.766 64.056 62.300 -0.017 0.000 1.036 1121 V CB -0.182 31.643 31.823 0.003 0.000 0.664 1121 V HN 0.292 nan 8.190 nan 0.000 0.453 1122 S N -0.824 114.847 115.700 -0.049 0.000 2.368 1122 S HA -0.277 4.202 4.470 0.015 0.000 0.225 1122 S C 1.993 176.566 174.600 -0.045 0.000 1.030 1122 S CA 1.752 59.928 58.200 -0.040 0.000 0.999 1122 S CB -0.256 62.916 63.200 -0.047 0.000 0.844 1122 S HN 0.616 nan 8.310 nan 0.000 0.459 1123 Q N -0.129 119.606 119.800 -0.109 0.000 2.124 1123 Q HA 0.017 4.366 4.340 0.015 0.000 0.202 1123 Q C 1.470 177.457 176.000 -0.022 0.000 0.977 1123 Q CA 1.362 57.087 55.803 -0.130 0.000 0.850 1123 Q CB -0.169 28.404 28.738 -0.275 0.000 0.901 1123 Q HN 0.615 nan 8.270 nan 0.000 0.429 1124 F N -0.614 119.308 119.950 -0.048 0.000 2.604 1124 F HA -0.076 4.459 4.527 0.013 0.000 0.298 1124 F C 1.642 177.412 175.800 -0.050 0.000 1.131 1124 F CA -0.141 57.828 58.000 -0.051 0.000 1.457 1124 F CB 0.297 39.264 39.000 -0.054 0.000 1.095 1124 F HN 0.120 nan 8.300 nan 0.000 0.574 1125 L N -0.785 120.507 121.223 0.115 0.000 2.179 1125 L HA -0.156 4.193 4.340 0.015 0.000 0.208 1125 L C 2.462 179.340 176.870 0.014 0.000 1.096 1125 L CA 0.989 55.852 54.840 0.038 0.000 0.779 1125 L CB -0.500 41.560 42.059 0.001 0.000 0.922 1125 L HN 0.041 nan 8.230 nan 0.000 0.443 1126 T N -0.554 114.014 114.554 0.024 0.000 2.701 1126 T HA -0.213 4.146 4.350 0.015 0.000 0.263 1126 T C 1.688 176.390 174.700 0.004 0.000 1.040 1126 T CA 1.530 63.634 62.100 0.006 0.000 1.147 1126 T CB 0.026 68.895 68.868 0.002 0.000 0.865 1126 T HN 0.307 nan 8.240 nan 0.000 0.426 1127 E N -0.172 120.054 120.200 0.043 0.000 2.204 1127 E HA -0.023 4.336 4.350 0.015 0.000 0.195 1127 E C 2.257 178.838 176.600 -0.032 0.000 0.990 1127 E CA 0.787 57.195 56.400 0.013 0.000 0.821 1127 E CB -0.344 29.404 29.700 0.080 0.000 0.750 1127 E HN 0.535 nan 8.360 nan 0.000 0.477 1128 G N 0.874 109.669 108.800 -0.009 0.000 2.446 1128 G HA2 -0.269 3.701 3.960 0.015 0.000 0.217 1128 G HA3 -0.269 3.701 3.960 0.015 0.000 0.217 1128 G C 1.523 176.405 174.900 -0.029 0.000 1.168 1128 G CA 0.702 45.786 45.100 -0.027 0.000 0.771 1128 G HN 0.122 nan 8.290 nan 0.000 0.551 1129 I N 0.696 121.247 120.570 -0.032 0.000 2.179 1129 I HA -0.112 4.067 4.170 0.015 0.000 0.242 1129 I C 2.675 178.773 176.117 -0.031 0.000 1.088 1129 I CA 0.860 62.160 61.300 0.001 0.000 1.357 1129 I CB -0.168 37.826 38.000 -0.011 0.000 1.051 1129 I HN 0.156 nan 8.210 nan 0.000 0.409 1130 I N -0.521 119.973 120.570 -0.126 0.000 2.099 1130 I HA -0.370 3.810 4.170 0.015 0.000 0.239 1130 I C 2.538 178.346 176.117 -0.514 0.000 1.066 1130 I CA 1.692 62.796 61.300 -0.327 0.000 1.324 1130 I CB -0.387 37.393 38.000 -0.366 0.000 1.037 1130 I HN 0.172 nan 8.210 nan 0.000 0.401 1131 M N -0.086 119.307 119.600 -0.345 0.000 2.106 1131 M HA -0.245 4.244 4.480 0.015 0.000 0.259 1131 M C 2.105 178.388 176.300 -0.028 0.000 1.068 1131 M CA 1.581 56.769 55.300 -0.187 0.000 1.100 1131 M CB -0.479 32.107 32.600 -0.024 0.000 1.351 1131 M HN 0.072 nan 8.290 nan 0.000 0.404 1132 K N 0.255 120.654 120.400 -0.002 0.000 2.360 1132 K HA -0.156 4.173 4.320 0.015 0.000 0.201 1132 K C 1.289 177.937 176.600 0.079 0.000 1.046 1132 K CA 1.063 57.391 56.287 0.069 0.000 0.945 1132 K CB -0.507 32.083 32.500 0.149 0.000 0.750 1132 K HN 0.463 nan 8.250 nan 0.000 0.464 1133 D N -1.021 119.418 120.400 0.066 0.000 2.369 1133 D HA -0.069 4.580 4.640 0.015 0.000 0.211 1133 D C -0.360 176.213 176.300 0.454 0.000 1.077 1133 D CA -0.092 54.004 54.000 0.160 0.000 0.842 1133 D CB 0.236 41.089 40.800 0.087 0.000 0.947 1133 D HN -0.112 nan 8.370 nan 0.000 0.509 1134 F N 2.180 122.208 119.950 0.131 0.000 2.732 1134 F HA 0.245 4.782 4.527 0.015 0.000 0.312 1134 F C 0.343 176.227 175.800 0.139 0.000 1.240 1134 F CA -1.377 56.766 58.000 0.239 0.000 1.211 1134 F CB -0.129 38.911 39.000 0.068 0.000 1.331 1134 F HN -0.155 nan 8.300 nan 0.000 0.537 1135 S N 0.745 116.575 115.700 0.215 0.000 2.452 1135 S HA 0.517 4.996 4.470 0.015 0.000 0.284 1135 S C -0.693 173.752 174.600 -0.259 0.000 1.171 1135 S CA -0.274 57.929 58.200 0.006 0.000 1.064 1135 S CB 1.491 64.692 63.200 0.002 0.000 0.967 1135 S HN 0.549 nan 8.310 nan 0.000 0.484 1136 H N 3.358 122.158 119.070 -0.451 0.000 3.112 1136 H HA 0.289 4.855 4.556 0.015 0.000 0.347 1136 H C -2.768 172.367 175.328 -0.322 0.000 1.188 1136 H CA -1.335 54.339 56.048 -0.624 0.000 1.240 1136 H CB 2.163 31.145 29.762 -1.299 0.000 1.920 1136 H HN 0.402 nan 8.280 nan 0.000 0.535 1137 P HA -0.075 nan 4.420 nan 0.000 0.221 1137 P C 0.092 177.361 177.300 -0.053 0.000 1.145 1137 P CA 1.207 64.151 63.100 -0.260 0.000 0.795 1137 P CB 0.270 31.780 31.700 -0.316 0.000 0.775 1138 N N -1.117 117.705 118.700 0.203 0.000 2.235 1138 N HA 0.143 4.892 4.740 0.015 0.000 0.209 1138 N C -0.598 174.986 175.510 0.123 0.000 1.122 1138 N CA -0.177 52.974 53.050 0.168 0.000 0.845 1138 N CB 0.565 39.154 38.487 0.170 0.000 1.004 1138 N HN -0.061 nan 8.380 nan 0.000 0.499 1139 V N 1.458 121.449 119.914 0.128 0.000 2.540 1139 V HA 0.269 4.398 4.120 0.015 0.000 0.302 1139 V C -0.416 175.787 176.094 0.181 0.000 1.035 1139 V CA -1.031 61.364 62.300 0.158 0.000 0.873 1139 V CB 2.109 33.994 31.823 0.103 0.000 0.992 1139 V HN 0.070 nan 8.190 nan 0.000 0.428 1140 L N 5.377 126.743 121.223 0.238 0.000 2.477 1140 L HA 0.377 4.726 4.340 0.015 0.000 0.272 1140 L C 0.707 177.662 176.870 0.142 0.000 1.157 1140 L CA 0.858 55.754 54.840 0.093 0.000 0.889 1140 L CB 0.926 42.955 42.059 -0.051 0.000 1.158 1140 L HN 0.918 nan 8.230 nan 0.000 0.473 1141 S N 4.894 120.635 115.700 0.067 0.000 2.713 1141 S HA 0.644 5.123 4.470 0.015 0.000 0.283 1141 S C -0.456 174.148 174.600 0.008 0.000 1.161 1141 S CA -0.964 57.284 58.200 0.080 0.000 0.999 1141 S CB 1.454 64.687 63.200 0.056 0.000 1.039 1141 S HN 0.617 nan 8.310 nan 0.000 0.548 1142 L N 1.994 123.227 121.223 0.017 0.000 2.289 1142 L HA 0.453 4.802 4.340 0.015 0.000 0.285 1142 L C 0.616 177.483 176.870 -0.004 0.000 1.049 1142 L CA -0.484 54.346 54.840 -0.018 0.000 0.804 1142 L CB 0.463 42.512 42.059 -0.016 0.000 1.195 1142 L HN 0.912 nan 8.230 nan 0.000 0.428 1143 L N 3.989 125.201 121.223 -0.018 0.000 2.007 1143 L HA 0.287 4.636 4.340 0.015 0.000 0.205 1143 L C 1.113 177.986 176.870 0.004 0.000 1.073 1143 L CA 0.974 55.810 54.840 -0.005 0.000 0.744 1143 L CB -0.716 41.337 42.059 -0.011 0.000 0.898 1143 L HN 0.804 nan 8.230 nan 0.000 0.435 1144 G N -0.804 107.991 108.800 -0.009 0.000 2.548 1144 G HA2 0.493 4.463 3.960 0.015 0.000 0.301 1144 G HA3 0.493 4.463 3.960 0.015 0.000 0.301 1144 G C -1.645 173.242 174.900 -0.022 0.000 1.349 1144 G CA -0.607 44.489 45.100 -0.007 0.000 0.792 1144 G HN 0.110 nan 8.290 nan 0.000 0.481 1145 I N -2.406 118.152 120.570 -0.020 0.000 2.562 1145 I HA 0.762 4.941 4.170 0.015 0.000 0.301 1145 I C -0.675 175.436 176.117 -0.011 0.000 1.003 1145 I CA -1.019 60.269 61.300 -0.021 0.000 1.127 1145 I CB 2.030 40.019 38.000 -0.019 0.000 1.304 1145 I HN 0.518 nan 8.210 nan 0.000 0.446 1146 C N 7.123 126.420 119.300 -0.005 0.000 2.301 1146 C HA 0.552 5.021 4.460 0.015 0.000 0.323 1146 C C -0.021 174.977 174.990 0.014 0.000 1.265 1146 C CA -0.538 58.482 59.018 0.003 0.000 1.503 1146 C CB 0.105 27.847 27.740 0.003 0.000 2.195 1146 C HN 0.752 nan 8.230 nan 0.000 0.477 1147 L N 7.514 128.744 121.223 0.013 0.000 2.272 1147 L HA 0.496 4.845 4.340 0.015 0.000 0.284 1147 L C 0.282 177.162 176.870 0.018 0.000 1.045 1147 L CA -0.059 54.792 54.840 0.019 0.000 0.842 1147 L CB 0.155 42.222 42.059 0.013 0.000 1.224 1147 L HN 0.601 nan 8.230 nan 0.000 0.430 1148 R N 1.728 122.243 120.500 0.025 0.000 2.338 1148 R HA 0.259 4.608 4.340 0.015 0.000 0.317 1148 R C 0.811 177.124 176.300 0.020 0.000 0.968 1148 R CA -0.373 55.741 56.100 0.023 0.000 0.849 1148 R CB 2.013 32.332 30.300 0.032 0.000 1.128 1148 R HN 0.542 nan 8.270 nan 0.000 0.448 1149 S N 1.354 117.062 115.700 0.013 0.000 2.419 1149 S HA -0.140 4.339 4.470 0.015 0.000 0.233 1149 S C 0.812 175.418 174.600 0.010 0.000 1.016 1149 S CA 0.941 59.147 58.200 0.010 0.000 0.974 1149 S CB -0.010 63.193 63.200 0.005 0.000 0.786 1149 S HN 0.557 nan 8.310 nan 0.000 0.492 1150 E N 0.893 121.099 120.200 0.010 0.000 1.893 1150 E HA 0.358 4.717 4.350 0.015 0.000 0.269 1150 E C 1.091 177.701 176.600 0.018 0.000 1.129 1150 E CA 0.261 56.665 56.400 0.008 0.000 0.904 1150 E CB -0.385 29.315 29.700 0.000 0.000 1.077 1150 E HN 0.314 nan 8.360 nan 0.000 0.407 1151 G N 3.811 112.623 108.800 0.019 0.000 5.356 1151 G HA2 -0.352 3.617 3.960 0.015 0.000 0.309 1151 G HA3 -0.352 3.617 3.960 0.015 0.000 0.309 1151 G C 0.167 175.096 174.900 0.047 0.000 1.451 1151 G CA 0.318 45.436 45.100 0.029 0.000 0.978 1151 G HN 0.912 nan 8.290 nan 0.000 0.771 1152 S N 2.322 118.060 115.700 0.062 0.000 2.634 1152 S HA 0.847 5.327 4.470 0.015 0.000 0.296 1152 S C -3.298 171.347 174.600 0.076 0.000 1.104 1152 S CA -0.408 57.840 58.200 0.080 0.000 0.920 1152 S CB 3.369 66.633 63.200 0.107 0.000 1.111 1152 S HN 0.719 nan 8.310 nan 0.000 0.493 1153 P HA 0.572 nan 4.420 nan 0.000 0.298 1153 P C -1.481 175.843 177.300 0.040 0.000 1.314 1153 P CA -0.707 62.427 63.100 0.057 0.000 0.854 1153 P CB 0.959 32.701 31.700 0.070 0.000 1.019 1154 L N 2.712 123.950 121.223 0.026 0.000 2.325 1154 L HA 0.433 4.783 4.340 0.015 0.000 0.281 1154 L C 0.047 176.905 176.870 -0.020 0.000 1.004 1154 L CA -1.203 53.645 54.840 0.014 0.000 0.823 1154 L CB 1.930 44.004 42.059 0.025 0.000 1.236 1154 L HN 0.069 nan 8.230 nan 0.000 0.415 1155 V N 4.293 124.180 119.914 -0.045 0.000 2.455 1155 V HA 0.172 4.302 4.120 0.015 0.000 0.273 1155 V C 0.230 176.288 176.094 -0.060 0.000 1.045 1155 V CA -0.420 61.837 62.300 -0.072 0.000 0.976 1155 V CB 1.359 33.113 31.823 -0.115 0.000 0.993 1155 V HN 0.436 nan 8.190 nan 0.000 0.475 1156 V N 7.466 127.348 119.914 -0.054 0.000 2.347 1156 V HA 0.470 4.599 4.120 0.015 0.000 0.280 1156 V C -0.076 175.982 176.094 -0.059 0.000 1.021 1156 V CA -0.338 61.933 62.300 -0.048 0.000 0.847 1156 V CB 1.181 32.986 31.823 -0.031 0.000 0.990 1156 V HN 0.633 nan 8.190 nan 0.000 0.444 1157 L N 7.101 128.280 121.223 -0.073 0.000 2.342 1157 L HA 0.613 4.962 4.340 0.015 0.000 0.271 1157 L C -2.337 174.487 176.870 -0.076 0.000 1.008 1157 L CA -2.157 52.628 54.840 -0.090 0.000 0.818 1157 L CB 2.533 44.512 42.059 -0.134 0.000 1.296 1157 L HN 0.376 nan 8.230 nan 0.000 0.427 1158 P HA -0.064 nan 4.420 nan 0.000 0.269 1158 P C -1.240 176.010 177.300 -0.085 0.000 1.209 1158 P CA 0.032 63.098 63.100 -0.057 0.000 0.776 1158 P CB 0.330 31.996 31.700 -0.056 0.000 0.876 1159 Y N 3.203 123.376 120.300 -0.212 0.000 2.359 1159 Y HA 0.234 4.793 4.550 0.014 0.000 0.334 1159 Y C 0.279 176.042 175.900 -0.228 0.000 1.058 1159 Y CA -0.204 57.716 58.100 -0.300 0.000 1.244 1159 Y CB 0.589 38.747 38.460 -0.504 0.000 1.187 1159 Y HN 0.183 nan 8.280 nan 0.000 0.510 1160 M N 7.801 126.885 119.600 -0.860 0.000 2.152 1160 M HA 0.130 4.620 4.480 0.015 0.000 0.354 1160 M C 1.101 176.942 176.300 -0.766 0.000 1.173 1160 M CA -0.226 54.701 55.300 -0.622 0.000 1.110 1160 M CB 0.959 33.295 32.600 -0.441 0.000 1.366 1160 M HN 0.845 nan 8.290 nan 0.000 0.415 1161 K N 2.374 122.444 120.400 -0.551 0.000 2.077 1161 K HA -0.223 4.106 4.320 0.015 0.000 0.213 1161 K C 0.705 177.047 176.600 -0.430 0.000 1.051 1161 K CA 2.181 58.209 56.287 -0.431 0.000 0.929 1161 K CB 0.071 32.309 32.500 -0.437 0.000 0.715 1161 K HN 0.680 nan 8.250 nan 0.000 0.451 1162 H N -0.659 118.310 119.070 -0.168 0.000 2.526 1162 H HA 0.207 4.772 4.556 0.015 0.000 0.274 1162 H C 0.918 176.237 175.328 -0.016 0.000 0.999 1162 H CA -0.017 56.021 56.048 -0.016 0.000 1.157 1162 H CB 0.542 30.266 29.762 -0.063 0.000 1.407 1162 H HN 0.588 nan 8.280 nan 0.000 0.568 1163 G N 1.518 110.252 108.800 -0.111 0.000 2.598 1163 G HA2 -0.367 3.602 3.960 0.015 0.000 0.269 1163 G HA3 -0.367 3.602 3.960 0.015 0.000 0.269 1163 G C -0.311 174.537 174.900 -0.087 0.000 1.289 1163 G CA -0.011 45.011 45.100 -0.130 0.000 0.926 1163 G HN 0.626 nan 8.290 nan 0.000 0.567 1164 D N -0.307 120.057 120.400 -0.061 0.000 2.382 1164 D HA 0.354 5.004 4.640 0.015 0.000 0.245 1164 D C 1.572 177.884 176.300 0.020 0.000 1.120 1164 D CA -0.143 53.827 54.000 -0.049 0.000 0.890 1164 D CB 0.895 41.662 40.800 -0.055 0.000 1.201 1164 D HN 0.585 nan 8.370 nan 0.000 0.433 1165 L N 2.535 123.738 121.223 -0.033 0.000 2.051 1165 L HA -0.206 4.144 4.340 0.015 0.000 0.214 1165 L C 2.382 179.322 176.870 0.117 0.000 1.076 1165 L CA 1.866 56.698 54.840 -0.014 0.000 0.758 1165 L CB -0.753 41.252 42.059 -0.090 0.000 0.890 1165 L HN 0.693 nan 8.230 nan 0.000 0.433 1166 R N -0.771 119.790 120.500 0.102 0.000 2.080 1166 R HA -0.197 4.153 4.340 0.015 0.000 0.236 1166 R C 2.044 178.427 176.300 0.138 0.000 1.137 1166 R CA 1.862 58.040 56.100 0.129 0.000 0.943 1166 R CB -0.284 30.088 30.300 0.120 0.000 0.846 1166 R HN 0.478 nan 8.270 nan 0.000 0.431 1167 N N 0.041 118.818 118.700 0.128 0.000 2.244 1167 N HA -0.162 4.588 4.740 0.015 0.000 0.183 1167 N C 1.479 177.097 175.510 0.180 0.000 1.016 1167 N CA 0.954 54.079 53.050 0.125 0.000 0.866 1167 N CB -0.388 38.159 38.487 0.100 0.000 0.980 1167 N HN 0.190 nan 8.380 nan 0.000 0.430 1168 F N 2.572 122.584 119.950 0.103 0.000 2.069 1168 F HA -0.133 4.403 4.527 0.015 0.000 0.298 1168 F C 2.227 178.179 175.800 0.253 0.000 1.113 1168 F CA 1.297 59.413 58.000 0.194 0.000 1.214 1168 F CB -0.306 38.746 39.000 0.086 0.000 0.978 1168 F HN -0.003 nan 8.300 nan 0.000 0.474 1169 I N -1.012 119.749 120.570 0.319 0.000 2.493 1169 I HA -0.180 3.999 4.170 0.015 0.000 0.254 1169 I C 2.082 178.240 176.117 0.068 0.000 1.160 1169 I CA 1.195 62.611 61.300 0.192 0.000 1.445 1169 I CB -0.677 37.469 38.000 0.244 0.000 1.086 1169 I HN 0.139 nan 8.210 nan 0.000 0.433 1170 R N 1.427 121.965 120.500 0.063 0.000 2.148 1170 R HA -0.021 4.328 4.340 0.015 0.000 0.227 1170 R C 0.739 177.013 176.300 -0.043 0.000 1.103 1170 R CA 0.291 56.406 56.100 0.024 0.000 0.983 1170 R CB -0.841 29.486 30.300 0.046 0.000 0.874 1170 R HN 0.419 nan 8.270 nan 0.000 0.451 1171 N N 2.918 121.548 118.700 -0.117 0.000 2.411 1171 N HA -0.096 4.653 4.740 0.015 0.000 0.265 1171 N C 0.750 176.081 175.510 -0.297 0.000 1.266 1171 N CA 0.288 53.169 53.050 -0.282 0.000 0.889 1171 N CB 0.768 38.906 38.487 -0.581 0.000 1.069 1171 N HN 0.185 nan 8.380 nan 0.000 0.476 1172 E N 1.811 121.894 120.200 -0.195 0.000 2.494 1172 E HA -0.014 4.346 4.350 0.015 0.000 0.193 1172 E C 0.257 176.778 176.600 -0.133 0.000 1.074 1172 E CA 0.327 56.655 56.400 -0.120 0.000 0.867 1172 E CB -0.311 29.352 29.700 -0.061 0.000 0.924 1172 E HN 0.449 nan 8.360 nan 0.000 0.502 1173 T N 0.129 114.538 114.554 -0.242 0.000 3.044 1173 T HA 0.061 4.420 4.350 0.015 0.000 0.250 1173 T C 0.133 174.775 174.700 -0.097 0.000 1.081 1173 T CA 0.110 62.104 62.100 -0.177 0.000 1.040 1173 T CB -0.073 68.668 68.868 -0.212 0.000 0.962 1173 T HN 0.389 nan 8.240 nan 0.000 0.506 1174 H N 1.393 120.382 119.070 -0.136 0.000 2.472 1174 H HA 0.421 4.986 4.556 0.015 0.000 0.335 1174 H C -0.141 175.125 175.328 -0.103 0.000 1.136 1174 H CA -1.011 54.931 56.048 -0.176 0.000 1.264 1174 H CB 0.698 30.215 29.762 -0.407 0.000 1.486 1174 H HN -0.058 nan 8.280 nan 0.000 0.517 1175 N N 3.355 122.100 118.700 0.075 0.000 2.818 1175 N HA 0.160 4.909 4.740 0.015 0.000 0.301 1175 N C -2.705 172.851 175.510 0.077 0.000 1.821 1175 N CA -1.256 51.847 53.050 0.088 0.000 0.930 1175 N CB 0.871 39.432 38.487 0.123 0.000 1.263 1175 N HN 0.478 nan 8.380 nan 0.000 0.487 1176 P HA 0.179 nan 4.420 nan 0.000 0.274 1176 P C 0.350 177.518 177.300 -0.219 0.000 1.246 1176 P CA -0.029 63.012 63.100 -0.098 0.000 0.795 1176 P CB 0.694 32.368 31.700 -0.043 0.000 1.006 1177 T N -2.788 111.575 114.554 -0.318 0.000 2.923 1177 T HA 0.278 4.637 4.350 0.015 0.000 0.281 1177 T C 1.382 175.886 174.700 -0.326 0.000 0.995 1177 T CA -0.785 61.063 62.100 -0.420 0.000 0.985 1177 T CB 0.208 68.785 68.868 -0.485 0.000 1.114 1177 T HN 0.034 nan 8.240 nan 0.000 0.548 1178 V N 1.110 120.839 119.914 -0.308 0.000 2.282 1178 V HA -0.214 3.915 4.120 0.015 0.000 0.249 1178 V C 2.861 178.752 176.094 -0.340 0.000 1.057 1178 V CA 2.291 64.379 62.300 -0.354 0.000 1.032 1178 V CB -0.962 30.562 31.823 -0.498 0.000 0.645 1178 V HN 1.002 nan 8.190 nan 0.000 0.447 1179 K N 0.042 120.287 120.400 -0.259 0.000 2.015 1179 K HA -0.307 4.023 4.320 0.015 0.000 0.216 1179 K C 1.909 178.464 176.600 -0.075 0.000 1.052 1179 K CA 2.426 58.637 56.287 -0.125 0.000 0.937 1179 K CB -0.443 31.964 32.500 -0.155 0.000 0.719 1179 K HN 0.526 nan 8.250 nan 0.000 0.446 1180 D N 0.817 121.071 120.400 -0.244 0.000 2.116 1180 D HA -0.198 4.451 4.640 0.015 0.000 0.193 1180 D C 2.117 177.972 176.300 -0.742 0.000 0.998 1180 D CA 1.349 55.049 54.000 -0.500 0.000 0.836 1180 D CB -0.357 40.113 40.800 -0.550 0.000 0.951 1180 D HN 0.297 nan 8.370 nan 0.000 0.449 1181 L N 0.456 121.420 121.223 -0.432 0.000 2.046 1181 L HA -0.113 4.236 4.340 0.015 0.000 0.208 1181 L C 2.604 179.405 176.870 -0.114 0.000 1.077 1181 L CA 0.746 55.444 54.840 -0.236 0.000 0.747 1181 L CB -0.342 41.651 42.059 -0.110 0.000 0.896 1181 L HN 0.004 nan 8.230 nan 0.000 0.432 1182 I N -0.249 120.270 120.570 -0.085 0.000 2.353 1182 I HA -0.142 4.037 4.170 0.015 0.000 0.248 1182 I C 2.682 178.807 176.117 0.013 0.000 1.119 1182 I CA 1.149 62.465 61.300 0.027 0.000 1.417 1182 I CB -0.961 37.100 38.000 0.102 0.000 1.078 1182 I HN 0.260 nan 8.210 nan 0.000 0.421 1183 G N 1.442 110.219 108.800 -0.037 0.000 2.476 1183 G HA2 -0.259 3.710 3.960 0.015 0.000 0.218 1183 G HA3 -0.259 3.710 3.960 0.015 0.000 0.218 1183 G C 1.441 176.276 174.900 -0.109 0.000 1.164 1183 G CA 0.692 45.597 45.100 -0.324 0.000 0.768 1183 G HN 0.179 nan 8.290 nan 0.000 0.560 1184 F N 1.720 121.649 119.950 -0.035 0.000 2.134 1184 F HA 0.035 4.572 4.527 0.016 0.000 0.299 1184 F C 2.901 178.720 175.800 0.030 0.000 1.097 1184 F CA 0.399 58.392 58.000 -0.012 0.000 1.264 1184 F CB -1.195 37.807 39.000 0.004 0.000 1.001 1184 F HN 0.189 nan 8.300 nan 0.000 0.479 1185 G N -0.148 108.787 108.800 0.225 0.000 2.422 1185 G HA2 -0.219 3.750 3.960 0.015 0.000 0.218 1185 G HA3 -0.219 3.750 3.960 0.015 0.000 0.218 1185 G C 1.717 176.796 174.900 0.298 0.000 1.146 1185 G CA 0.909 46.144 45.100 0.225 0.000 0.769 1185 G HN 0.342 nan 8.290 nan 0.000 0.547 1186 L N 0.264 121.566 121.223 0.131 0.000 2.044 1186 L HA 0.071 4.420 4.340 0.015 0.000 0.205 1186 L C 2.825 179.725 176.870 0.050 0.000 1.075 1186 L CA 1.800 56.672 54.840 0.053 0.000 0.747 1186 L CB -0.764 41.198 42.059 -0.163 0.000 0.903 1186 L HN 0.290 nan 8.230 nan 0.000 0.435 1187 Q N -0.899 118.926 119.800 0.042 0.000 2.135 1187 Q HA -0.196 4.153 4.340 0.015 0.000 0.204 1187 Q C 2.150 178.200 176.000 0.082 0.000 0.981 1187 Q CA 1.981 57.821 55.803 0.060 0.000 0.856 1187 Q CB -0.347 28.439 28.738 0.081 0.000 0.902 1187 Q HN 0.491 nan 8.270 nan 0.000 0.425 1188 V N 0.955 120.957 119.914 0.146 0.000 2.307 1188 V HA -0.273 3.856 4.120 0.015 0.000 0.245 1188 V C 2.357 178.467 176.094 0.027 0.000 1.045 1188 V CA 1.720 64.109 62.300 0.148 0.000 1.024 1188 V CB -1.115 30.899 31.823 0.320 0.000 0.651 1188 V HN 0.397 nan 8.190 nan 0.000 0.449 1189 A N -0.096 122.757 122.820 0.054 0.000 1.927 1189 A HA -0.326 4.003 4.320 0.015 0.000 0.220 1189 A C 2.291 179.765 177.584 -0.184 0.000 1.185 1189 A CA 2.460 54.367 52.037 -0.218 0.000 0.639 1189 A CB -0.502 18.425 19.000 -0.121 0.000 0.820 1189 A HN 0.588 nan 8.150 nan 0.000 0.451 1190 K N -1.173 119.181 120.400 -0.077 0.000 2.062 1190 K HA -0.034 4.295 4.320 0.015 0.000 0.205 1190 K C 2.238 178.713 176.600 -0.207 0.000 1.051 1190 K CA 0.903 57.155 56.287 -0.058 0.000 0.941 1190 K CB -0.482 32.057 32.500 0.066 0.000 0.719 1190 K HN 0.460 nan 8.250 nan 0.000 0.440 1191 G N 1.578 110.265 108.800 -0.189 0.000 2.476 1191 G HA2 -0.263 3.706 3.960 0.015 0.000 0.218 1191 G HA3 -0.263 3.706 3.960 0.015 0.000 0.218 1191 G C 1.465 176.150 174.900 -0.357 0.000 1.164 1191 G CA 0.865 45.785 45.100 -0.301 0.000 0.768 1191 G HN 0.065 nan 8.290 nan 0.000 0.560 1192 M N 0.501 119.820 119.600 -0.469 0.000 2.159 1192 M HA 0.027 4.517 4.480 0.015 0.000 0.263 1192 M C 2.302 178.140 176.300 -0.770 0.000 1.063 1192 M CA 1.235 56.050 55.300 -0.810 0.000 1.110 1192 M CB -1.010 30.606 32.600 -1.640 0.000 1.374 1192 M HN 0.324 nan 8.290 nan 0.000 0.411 1193 K N -0.145 119.928 120.400 -0.545 0.000 2.044 1193 K HA -0.227 4.103 4.320 0.015 0.000 0.210 1193 K C 2.032 178.512 176.600 -0.200 0.000 1.049 1193 K CA 1.635 57.794 56.287 -0.214 0.000 0.927 1193 K CB -0.368 32.082 32.500 -0.084 0.000 0.713 1193 K HN 0.194 nan 8.250 nan 0.000 0.443 1194 F N 1.370 121.065 119.950 -0.425 0.000 2.102 1194 F HA -0.198 4.338 4.527 0.015 0.000 0.298 1194 F C 1.744 177.282 175.800 -0.437 0.000 1.105 1194 F CA 1.409 59.136 58.000 -0.456 0.000 1.239 1194 F CB -0.127 38.399 39.000 -0.789 0.000 0.991 1194 F HN -0.017 nan 8.300 nan 0.000 0.474 1195 L N 0.119 121.016 121.223 -0.544 0.000 1.994 1195 L HA -0.222 4.127 4.340 0.015 0.000 0.208 1195 L C 2.878 179.526 176.870 -0.370 0.000 1.071 1195 L CA 1.265 55.747 54.840 -0.597 0.000 0.745 1195 L CB -1.250 40.616 42.059 -0.323 0.000 0.892 1195 L HN 0.273 nan 8.230 nan 0.000 0.431 1196 A N 0.095 122.772 122.820 -0.240 0.000 1.940 1196 A HA -0.249 4.080 4.320 0.015 0.000 0.219 1196 A C 2.497 180.008 177.584 -0.123 0.000 1.176 1196 A CA 2.169 54.153 52.037 -0.087 0.000 0.631 1196 A CB -0.734 18.297 19.000 0.052 0.000 0.814 1196 A HN 0.559 nan 8.150 nan 0.000 0.446 1197 S N -0.676 114.893 115.700 -0.217 0.000 2.453 1197 S HA -0.054 4.425 4.470 0.015 0.000 0.231 1197 S C 1.380 175.841 174.600 -0.233 0.000 1.005 1197 S CA 1.052 59.136 58.200 -0.193 0.000 0.949 1197 S CB -0.144 62.947 63.200 -0.183 0.000 0.774 1197 S HN 0.441 nan 8.310 nan 0.000 0.510 1198 K N 0.931 121.108 120.400 -0.372 0.000 2.505 1198 K HA 0.207 4.536 4.320 0.015 0.000 0.192 1198 K C 0.000 176.559 176.600 -0.068 0.000 1.025 1198 K CA 0.001 56.128 56.287 -0.266 0.000 1.086 1198 K CB -0.097 32.121 32.500 -0.471 0.000 0.840 1198 K HN 0.173 nan 8.250 nan 0.000 0.514 1199 K N -0.202 120.166 120.400 -0.053 0.000 3.230 1199 K HA -0.189 4.140 4.320 0.015 0.000 0.285 1199 K C -0.440 176.208 176.600 0.080 0.000 1.196 1199 K CA 0.446 56.743 56.287 0.017 0.000 0.838 1199 K CB -2.443 30.072 32.500 0.026 0.000 1.262 1199 K HN 0.289 nan 8.250 nan 0.000 0.492 1200 F N 0.449 120.342 119.950 -0.094 0.000 2.415 1200 F HA 0.465 5.001 4.527 0.015 0.000 0.348 1200 F C 0.156 175.937 175.800 -0.032 0.000 1.119 1200 F CA -0.921 57.049 58.000 -0.049 0.000 1.069 1200 F CB 1.115 40.071 39.000 -0.074 0.000 1.124 1200 F HN -0.165 nan 8.300 nan 0.000 0.472 1201 V N 7.037 126.573 119.914 -0.629 0.000 2.347 1201 V HA 0.120 4.249 4.120 0.015 0.000 0.280 1201 V C 1.034 176.742 176.094 -0.642 0.000 1.021 1201 V CA -0.508 61.566 62.300 -0.378 0.000 0.847 1201 V CB 0.905 32.642 31.823 -0.142 0.000 0.990 1201 V HN 0.893 nan 8.190 nan 0.000 0.444 1202 H N 4.876 123.771 119.070 -0.292 0.000 2.326 1202 H HA -0.056 4.509 4.556 0.015 0.000 0.301 1202 H C 1.624 176.910 175.328 -0.070 0.000 1.081 1202 H CA 2.194 58.206 56.048 -0.060 0.000 1.334 1202 H CB 0.424 30.284 29.762 0.163 0.000 1.385 1202 H HN 0.763 nan 8.280 nan 0.000 0.504 1203 R N -1.190 119.400 120.500 0.150 0.000 3.746 1203 R HA -0.180 4.169 4.340 0.015 0.000 0.465 1203 R C -0.250 176.110 176.300 0.099 0.000 0.725 1203 R CA 1.421 57.494 56.100 -0.044 0.000 1.545 1203 R CB -1.376 28.603 30.300 -0.535 0.000 2.197 1203 R HN 0.304 nan 8.270 nan 0.000 0.438 1204 D N 0.076 120.684 120.400 0.346 0.000 2.997 1204 D HA 0.201 4.851 4.640 0.015 0.000 0.362 1204 D C -1.316 175.109 176.300 0.207 0.000 1.298 1204 D CA -0.437 53.722 54.000 0.266 0.000 0.756 1204 D CB 0.457 41.355 40.800 0.163 0.000 1.216 1204 D HN 0.038 nan 8.370 nan 0.000 0.496 1205 L N 1.555 122.829 121.223 0.086 0.000 2.331 1205 L HA 0.754 5.104 4.340 0.015 0.000 0.278 1205 L C -0.626 176.249 176.870 0.009 0.000 1.106 1205 L CA 0.081 54.864 54.840 -0.094 0.000 0.824 1205 L CB 0.819 42.885 42.059 0.011 0.000 1.142 1205 L HN 0.235 nan 8.230 nan 0.000 0.443 1206 A N 3.761 126.546 122.820 -0.058 0.000 2.590 1206 A HA 0.623 4.952 4.320 0.015 0.000 0.296 1206 A C 0.407 177.996 177.584 0.008 0.000 1.050 1206 A CA -0.135 51.811 52.037 -0.151 0.000 0.697 1206 A CB 0.172 18.749 19.000 -0.705 0.000 1.277 1206 A HN 1.115 nan 8.150 nan 0.000 0.411 1207 A N 1.689 124.592 122.820 0.138 0.000 1.917 1207 A HA -0.209 4.120 4.320 0.015 0.000 0.219 1207 A C 2.030 179.642 177.584 0.045 0.000 1.182 1207 A CA 2.289 54.395 52.037 0.116 0.000 0.633 1207 A CB -0.645 18.463 19.000 0.180 0.000 0.819 1207 A HN 1.329 nan 8.150 nan 0.000 0.448 1208 R N -0.879 119.630 120.500 0.016 0.000 2.159 1208 R HA -0.105 4.244 4.340 0.015 0.000 0.237 1208 R C 0.301 176.586 176.300 -0.025 0.000 1.131 1208 R CA 1.747 57.843 56.100 -0.008 0.000 0.982 1208 R CB -0.514 29.767 30.300 -0.031 0.000 0.868 1208 R HN 0.376 nan 8.270 nan 0.000 0.453 1209 N N -0.057 118.630 118.700 -0.021 0.000 2.251 1209 N HA 0.120 4.869 4.740 0.015 0.000 0.217 1209 N C -0.982 174.543 175.510 0.026 0.000 1.124 1209 N CA -0.051 53.010 53.050 0.018 0.000 0.843 1209 N CB 0.451 38.983 38.487 0.076 0.000 1.024 1209 N HN 0.151 nan 8.380 nan 0.000 0.501 1210 C N 1.163 120.460 119.300 -0.006 0.000 2.417 1210 C HA 0.572 5.041 4.460 0.015 0.000 0.324 1210 C C 0.132 175.078 174.990 -0.075 0.000 1.240 1210 C CA -0.843 58.166 59.018 -0.016 0.000 1.632 1210 C CB 0.986 28.723 27.740 -0.005 0.000 2.241 1210 C HN 0.202 nan 8.230 nan 0.000 0.499 1211 M N 2.668 122.209 119.600 -0.098 0.000 2.762 1211 M HA 0.667 5.156 4.480 0.015 0.000 0.306 1211 M C -0.959 175.223 176.300 -0.197 0.000 1.223 1211 M CA -0.769 54.438 55.300 -0.155 0.000 0.896 1211 M CB 1.478 33.973 32.600 -0.176 0.000 1.684 1211 M HN 0.431 nan 8.290 nan 0.000 0.491 1212 L N 2.359 123.441 121.223 -0.235 0.000 2.441 1212 L HA 0.388 4.737 4.340 0.015 0.000 0.270 1212 L C -0.699 176.026 176.870 -0.241 0.000 0.973 1212 L CA -0.318 54.350 54.840 -0.286 0.000 0.842 1212 L CB 1.110 42.888 42.059 -0.469 0.000 1.239 1212 L HN 0.745 nan 8.230 nan 0.000 0.406 1213 D N 3.061 123.325 120.400 -0.227 0.000 2.511 1213 D HA 0.097 4.746 4.640 0.015 0.000 0.276 1213 D C 0.846 176.971 176.300 -0.292 0.000 1.220 1213 D CA 0.015 53.870 54.000 -0.242 0.000 1.077 1213 D CB 0.397 41.082 40.800 -0.190 0.000 1.126 1213 D HN 0.621 nan 8.370 nan 0.000 0.583 1214 E N 0.256 120.279 120.200 -0.295 0.000 2.209 1214 E HA -0.256 4.103 4.350 0.015 0.000 0.196 1214 E C 0.688 177.042 176.600 -0.410 0.000 0.993 1214 E CA 1.132 57.333 56.400 -0.331 0.000 0.819 1214 E CB -0.327 29.253 29.700 -0.200 0.000 0.745 1214 E HN 0.528 nan 8.360 nan 0.000 0.477 1215 K N -0.040 120.181 120.400 -0.298 0.000 2.410 1215 K HA 0.126 4.456 4.320 0.015 0.000 0.200 1215 K C -0.525 176.022 176.600 -0.088 0.000 1.023 1215 K CA -0.139 56.044 56.287 -0.174 0.000 1.149 1215 K CB -0.159 32.308 32.500 -0.054 0.000 0.859 1215 K HN -0.025 nan 8.250 nan 0.000 0.514 1216 F N 0.375 120.329 119.950 0.008 0.000 3.093 1216 F HA -0.251 4.285 4.527 0.015 0.000 0.287 1216 F C -0.032 175.743 175.800 -0.042 0.000 0.882 1216 F CA 0.498 58.465 58.000 -0.055 0.000 1.063 1216 F CB -2.848 36.165 39.000 0.022 0.000 1.097 1216 F HN -0.081 nan 8.300 nan 0.000 0.604 1217 T N 1.073 115.627 114.554 -0.001 0.000 2.814 1217 T HA 0.490 4.849 4.350 0.015 0.000 0.297 1217 T C 0.532 175.186 174.700 -0.077 0.000 0.956 1217 T CA -0.480 61.611 62.100 -0.015 0.000 1.123 1217 T CB 1.348 70.193 68.868 -0.040 0.000 0.902 1217 T HN 0.052 nan 8.240 nan 0.000 0.528 1218 V N 5.576 125.457 119.914 -0.054 0.000 2.461 1218 V HA 0.280 4.409 4.120 0.015 0.000 0.275 1218 V C 0.413 176.484 176.094 -0.039 0.000 1.047 1218 V CA -0.479 61.763 62.300 -0.098 0.000 0.955 1218 V CB 0.588 32.365 31.823 -0.076 0.000 0.988 1218 V HN 0.697 nan 8.190 nan 0.000 0.471 1219 K N 4.109 124.480 120.400 -0.048 0.000 2.394 1219 K HA 0.465 4.794 4.320 0.015 0.000 0.260 1219 K C -0.814 175.816 176.600 0.050 0.000 0.967 1219 K CA -0.740 55.550 56.287 0.006 0.000 0.855 1219 K CB 2.177 34.666 32.500 -0.018 0.000 1.101 1219 K HN 0.416 nan 8.250 nan 0.000 0.433 1220 V N 2.686 122.666 119.914 0.109 0.000 2.599 1220 V HA 0.105 4.234 4.120 0.015 0.000 0.300 1220 V C 0.614 176.934 176.094 0.377 0.000 1.034 1220 V CA 0.441 62.855 62.300 0.192 0.000 1.115 1220 V CB 0.581 32.503 31.823 0.164 0.000 0.934 1220 V HN 0.965 nan 8.190 nan 0.000 0.485 1221 A N 3.681 126.708 122.820 0.345 0.000 2.539 1221 A HA 0.731 5.060 4.320 0.015 0.000 0.272 1221 A C 0.312 178.046 177.584 0.250 0.000 1.286 1221 A CA 0.121 52.247 52.037 0.148 0.000 0.792 1221 A CB 0.647 19.618 19.000 -0.048 0.000 1.355 1221 A HN 0.940 nan 8.150 nan 0.000 0.472 1222 D N -2.276 118.080 120.400 -0.075 0.000 2.775 1222 D HA -0.133 4.516 4.640 0.015 0.000 0.235 1222 D C -0.452 175.877 176.300 0.048 0.000 1.120 1222 D CA 1.691 55.731 54.000 0.066 0.000 0.708 1222 D CB -1.913 39.032 40.800 0.242 0.000 1.084 1222 D HN 1.158 nan 8.370 nan 0.000 0.434 1223 F N -2.927 117.035 119.950 0.020 0.000 2.643 1223 F HA 0.774 5.311 4.527 0.016 0.000 0.314 1223 F C 1.296 177.113 175.800 0.029 0.000 1.096 1223 F CA -0.086 57.916 58.000 0.003 0.000 0.953 1223 F CB 1.108 40.130 39.000 0.036 0.000 1.345 1223 F HN 0.223 nan 8.300 nan 0.000 0.468 1224 G N 1.098 110.106 108.800 0.347 0.000 2.531 1224 G HA2 -0.309 3.660 3.960 0.015 0.000 0.274 1224 G HA3 -0.309 3.660 3.960 0.015 0.000 0.274 1224 G C 0.277 175.166 174.900 -0.019 0.000 1.159 1224 G CA 0.273 45.473 45.100 0.166 0.000 0.969 1224 G HN 1.001 nan 8.290 nan 0.000 0.554 1225 L N 1.360 122.504 121.223 -0.132 0.000 2.551 1225 L HA 0.374 4.724 4.340 0.015 0.000 0.228 1225 L C 2.977 179.710 176.870 -0.228 0.000 1.153 1225 L CA 1.576 56.243 54.840 -0.287 0.000 0.851 1225 L CB -0.320 41.547 42.059 -0.320 0.000 0.959 1225 L HN 0.749 nan 8.230 nan 0.000 0.451 1226 A N -0.607 122.112 122.820 -0.167 0.000 2.252 1226 A HA 0.092 4.421 4.320 0.015 0.000 0.213 1226 A C 1.176 178.783 177.584 0.038 0.000 1.188 1226 A CA -0.348 51.628 52.037 -0.102 0.000 0.863 1226 A CB -0.089 18.773 19.000 -0.230 0.000 0.893 1226 A HN 0.208 nan 8.150 nan 0.000 0.495 1227 R N 1.678 122.183 120.500 0.007 0.000 2.614 1227 R HA 0.095 4.444 4.340 0.015 0.000 0.335 1227 R C -0.776 175.572 176.300 0.080 0.000 0.859 1227 R CA 0.949 57.089 56.100 0.067 0.000 1.123 1227 R CB -0.426 29.907 30.300 0.054 0.000 0.887 1227 R HN 0.451 nan 8.270 nan 0.000 0.407 1228 D N 2.541 122.928 120.400 -0.022 0.000 2.779 1228 D HA 0.229 4.878 4.640 0.015 0.000 0.331 1228 D C -1.480 174.583 176.300 -0.395 0.000 1.331 1228 D CA -0.666 53.148 54.000 -0.309 0.000 0.866 1228 D CB 1.062 41.383 40.800 -0.798 0.000 1.409 1228 D HN 0.351 nan 8.370 nan 0.000 0.486 1229 M N 1.893 121.228 119.600 -0.441 0.000 2.072 1229 M HA 0.334 4.823 4.480 0.015 0.000 0.331 1229 M C -0.663 175.350 176.300 -0.478 0.000 1.004 1229 M CA -0.064 55.047 55.300 -0.316 0.000 0.952 1229 M CB 1.015 33.553 32.600 -0.104 0.000 1.511 1229 M HN 0.413 nan 8.290 nan 0.000 0.422 1230 Y N -0.551 119.679 120.300 -0.117 0.000 2.522 1230 Y HA 0.217 4.777 4.550 0.016 0.000 0.277 1230 Y C 0.666 176.499 175.900 -0.111 0.000 1.104 1230 Y CA -0.411 57.615 58.100 -0.123 0.000 1.260 1230 Y CB 0.285 38.688 38.460 -0.095 0.000 1.151 1230 Y HN 0.466 nan 8.280 nan 0.000 0.539 1231 D N 2.487 122.913 120.400 0.044 0.000 2.548 1231 D HA -0.057 4.593 4.640 0.015 0.000 0.231 1231 D C 0.365 176.658 176.300 -0.011 0.000 1.142 1231 D CA 0.225 54.234 54.000 0.015 0.000 0.866 1231 D CB 0.527 41.330 40.800 0.005 0.000 1.190 1231 D HN 0.107 nan 8.370 nan 0.000 0.469 1244 K N 0.919 121.332 120.400 0.023 0.000 2.360 1244 K HA 0.083 4.412 4.320 0.015 0.000 0.201 1244 K C -0.147 176.459 176.600 0.010 0.000 1.046 1244 K CA 0.900 57.193 56.287 0.011 0.000 0.945 1244 K CB -0.453 32.022 32.500 -0.042 0.000 0.750 1244 K HN 0.422 nan 8.250 nan 0.000 0.464 1245 L N 3.252 124.479 121.223 0.007 0.000 2.282 1245 L HA 0.281 4.631 4.340 0.015 0.000 0.288 1245 L C -2.210 174.682 176.870 0.037 0.000 1.033 1245 L CA -2.346 52.512 54.840 0.029 0.000 0.807 1245 L CB 1.496 43.580 42.059 0.041 0.000 1.209 1245 L HN -0.071 nan 8.230 nan 0.000 0.423 1246 P HA 0.027 nan 4.420 nan 0.000 0.238 1246 P C 0.895 178.354 177.300 0.266 0.000 1.794 1246 P CA -0.276 62.914 63.100 0.151 0.000 1.088 1246 P CB 0.617 32.356 31.700 0.066 0.000 1.923 1247 V N 1.415 121.406 119.914 0.129 0.000 2.490 1247 V HA -0.208 3.921 4.120 0.015 0.000 0.250 1247 V C 1.844 177.951 176.094 0.021 0.000 1.061 1247 V CA 1.223 63.532 62.300 0.014 0.000 1.064 1247 V CB -1.231 30.499 31.823 -0.155 0.000 0.670 1247 V HN 0.195 nan 8.190 nan 0.000 0.461 1248 K N -0.872 119.598 120.400 0.116 0.000 2.439 1248 K HA -0.034 4.295 4.320 0.015 0.000 0.197 1248 K C 1.720 178.285 176.600 -0.058 0.000 1.041 1248 K CA 1.418 57.645 56.287 -0.099 0.000 0.970 1248 K CB -0.145 32.215 32.500 -0.234 0.000 0.773 1248 K HN 0.673 nan 8.250 nan 0.000 0.479 1249 W N 0.410 121.794 121.300 0.140 0.000 3.103 1249 W HA 0.257 4.927 4.660 0.016 0.000 0.325 1249 W C 0.343 177.002 176.519 0.233 0.000 1.170 1249 W CA -0.515 56.983 57.345 0.255 0.000 1.712 1249 W CB 0.275 29.876 29.460 0.234 0.000 1.068 1249 W HN -0.038 nan 8.180 nan 0.000 0.592 1250 M N 0.847 120.587 119.600 0.234 0.000 2.185 1250 M HA 0.340 4.829 4.480 0.015 0.000 0.357 1250 M C 0.704 176.653 176.300 -0.584 0.000 1.260 1250 M CA -0.196 55.099 55.300 -0.010 0.000 1.124 1250 M CB 1.146 33.749 32.600 0.006 0.000 1.600 1250 M HN -0.251 nan 8.290 nan 0.000 0.467 1251 A N 2.486 124.835 122.820 -0.784 0.000 2.507 1251 A HA 0.056 4.385 4.320 0.015 0.000 0.235 1251 A C 0.981 177.958 177.584 -1.012 0.000 1.070 1251 A CA -0.453 50.749 52.037 -1.390 0.000 0.768 1251 A CB 0.177 18.875 19.000 -0.504 0.000 1.011 1251 A HN 0.966 nan 8.150 nan 0.000 0.502 1252 L N 0.964 121.507 121.223 -1.132 0.000 2.021 1252 L HA -0.228 4.121 4.340 0.015 0.000 0.215 1252 L C 2.632 179.292 176.870 -0.350 0.000 1.074 1252 L CA 2.921 57.422 54.840 -0.564 0.000 0.760 1252 L CB -0.700 41.158 42.059 -0.335 0.000 0.889 1252 L HN 0.915 nan 8.230 nan 0.000 0.433 1253 E N -1.642 118.380 120.200 -0.297 0.000 2.208 1253 E HA -0.125 4.234 4.350 0.015 0.000 0.193 1253 E C 1.890 178.315 176.600 -0.293 0.000 0.988 1253 E CA 1.328 57.596 56.400 -0.220 0.000 0.828 1253 E CB -0.598 29.017 29.700 -0.142 0.000 0.763 1253 E HN 0.533 nan 8.360 nan 0.000 0.478 1254 S N 1.288 116.736 115.700 -0.419 0.000 2.383 1254 S HA 0.001 4.480 4.470 0.015 0.000 0.227 1254 S C 2.141 176.495 174.600 -0.410 0.000 1.026 1254 S CA 0.888 58.720 58.200 -0.613 0.000 0.981 1254 S CB -0.257 62.386 63.200 -0.927 0.000 0.818 1254 S HN 0.190 nan 8.310 nan 0.000 0.472 1255 L N 1.095 122.123 121.223 -0.325 0.000 2.093 1255 L HA -0.119 4.231 4.340 0.015 0.000 0.208 1255 L C 2.629 179.399 176.870 -0.168 0.000 1.085 1255 L CA 1.195 55.902 54.840 -0.223 0.000 0.755 1255 L CB -0.392 41.528 42.059 -0.231 0.000 0.904 1255 L HN 0.322 nan 8.230 nan 0.000 0.435 1256 Q N -1.291 118.404 119.800 -0.174 0.000 2.269 1256 Q HA -0.090 4.259 4.340 0.015 0.000 0.201 1256 Q C 1.898 177.838 176.000 -0.101 0.000 0.946 1256 Q CA 1.706 57.438 55.803 -0.118 0.000 0.877 1256 Q CB 0.229 28.904 28.738 -0.106 0.000 0.963 1256 Q HN 0.585 nan 8.270 nan 0.000 0.472 1257 T N -4.295 110.180 114.554 -0.131 0.000 2.975 1257 T HA 0.064 4.423 4.350 0.015 0.000 0.261 1257 T C 0.753 175.390 174.700 -0.105 0.000 0.984 1257 T CA -0.144 61.895 62.100 -0.102 0.000 0.911 1257 T CB 0.582 69.391 68.868 -0.100 0.000 1.127 1257 T HN 0.175 nan 8.240 nan 0.000 0.514 1258 Q N 0.180 119.880 119.800 -0.166 0.000 2.489 1258 Q HA -0.157 4.192 4.340 0.015 0.000 0.259 1258 Q C -0.989 174.931 176.000 -0.133 0.000 0.934 1258 Q CA 0.799 56.531 55.803 -0.117 0.000 1.131 1258 Q CB -1.016 27.734 28.738 0.020 0.000 1.472 1258 Q HN 0.642 nan 8.270 nan 0.000 0.560 1259 K N 0.124 120.344 120.400 -0.301 0.000 2.270 1259 K HA 0.557 4.886 4.320 0.015 0.000 0.255 1259 K C -0.812 175.564 176.600 -0.373 0.000 0.936 1259 K CA -0.347 55.835 56.287 -0.176 0.000 0.809 1259 K CB 0.930 33.400 32.500 -0.050 0.000 1.131 1259 K HN -0.040 nan 8.250 nan 0.000 0.427 1260 F N 0.715 120.658 119.950 -0.011 0.000 2.480 1260 F HA 0.408 4.945 4.527 0.016 0.000 0.329 1260 F C 0.799 176.599 175.800 0.001 0.000 1.091 1260 F CA -0.600 57.400 58.000 -0.001 0.000 0.972 1260 F CB 2.165 41.165 39.000 0.000 0.000 1.150 1260 F HN 0.478 nan 8.300 nan 0.000 0.467 1261 T N -2.563 112.096 114.554 0.175 0.000 2.841 1261 T HA 0.249 4.609 4.350 0.015 0.000 0.296 1261 T C 0.617 175.406 174.700 0.148 0.000 1.166 1261 T CA -0.610 61.560 62.100 0.117 0.000 1.007 1261 T CB 1.360 70.269 68.868 0.069 0.000 1.253 1261 T HN 0.465 nan 8.240 nan 0.000 0.511 1262 T N 1.197 115.829 114.554 0.129 0.000 2.714 1262 T HA -0.121 4.238 4.350 0.015 0.000 0.268 1262 T C 1.670 176.474 174.700 0.174 0.000 1.036 1262 T CA 1.445 63.660 62.100 0.191 0.000 1.148 1262 T CB -0.326 68.644 68.868 0.170 0.000 0.856 1262 T HN 0.487 nan 8.240 nan 0.000 0.462 1263 K N 1.237 121.699 120.400 0.103 0.000 2.288 1263 K HA 0.088 4.417 4.320 0.015 0.000 0.201 1263 K C 2.627 179.324 176.600 0.162 0.000 1.048 1263 K CA 0.937 57.269 56.287 0.075 0.000 0.956 1263 K CB -0.394 32.135 32.500 0.049 0.000 0.746 1263 K HN 0.583 nan 8.250 nan 0.000 0.461 1264 S N 0.471 116.280 115.700 0.182 0.000 2.446 1264 S HA -0.043 4.436 4.470 0.015 0.000 0.225 1264 S C 1.377 176.192 174.600 0.357 0.000 1.016 1264 S CA 0.523 58.861 58.200 0.229 0.000 0.943 1264 S CB 0.005 63.262 63.200 0.096 0.000 0.786 1264 S HN 0.081 nan 8.310 nan 0.000 0.508 1265 D N 1.760 122.379 120.400 0.365 0.000 2.178 1265 D HA -0.018 4.631 4.640 0.015 0.000 0.201 1265 D C 2.038 178.650 176.300 0.520 0.000 0.980 1265 D CA 0.759 55.042 54.000 0.472 0.000 0.842 1265 D CB -0.366 40.744 40.800 0.517 0.000 0.948 1265 D HN 0.309 nan 8.370 nan 0.000 0.472 1266 V N 0.823 120.888 119.914 0.251 0.000 2.307 1266 V HA -0.188 3.941 4.120 0.015 0.000 0.245 1266 V C 2.182 178.472 176.094 0.327 0.000 1.045 1266 V CA 1.196 63.498 62.300 0.003 0.000 1.024 1266 V CB -0.394 31.246 31.823 -0.305 0.000 0.651 1266 V HN 0.368 nan 8.190 nan 0.000 0.449 1267 W N 1.172 122.610 121.300 0.230 0.000 2.301 1267 W HA -0.272 4.398 4.660 0.016 0.000 0.325 1267 W C 2.590 179.397 176.519 0.481 0.000 1.250 1267 W CA 2.524 60.100 57.345 0.386 0.000 1.261 1267 W CB -0.854 28.794 29.460 0.314 0.000 1.157 1267 W HN 0.316 nan 8.180 nan 0.000 0.473 1268 S N 0.534 116.731 115.700 0.828 0.000 2.370 1268 S HA -0.249 4.230 4.470 0.015 0.000 0.226 1268 S C 1.583 176.573 174.600 0.651 0.000 1.033 1268 S CA 1.676 60.330 58.200 0.758 0.000 1.011 1268 S CB -1.118 62.456 63.200 0.622 0.000 0.852 1268 S HN 0.346 nan 8.310 nan 0.000 0.457 1269 F N 2.635 122.850 119.950 0.441 0.000 2.095 1269 F HA -0.076 4.460 4.527 0.015 0.000 0.298 1269 F C 2.279 178.241 175.800 0.271 0.000 1.104 1269 F CA 1.372 59.588 58.000 0.360 0.000 1.232 1269 F CB -1.089 38.156 39.000 0.408 0.000 0.987 1269 F HN 0.207 nan 8.300 nan 0.000 0.475 1270 G N 0.318 109.201 108.800 0.139 0.000 2.513 1270 G HA2 -0.289 3.680 3.960 0.015 0.000 0.219 1270 G HA3 -0.289 3.680 3.960 0.015 0.000 0.219 1270 G C 1.746 176.794 174.900 0.246 0.000 1.160 1270 G CA 1.633 46.649 45.100 -0.140 0.000 0.767 1270 G HN 0.373 nan 8.290 nan 0.000 0.571 1271 V N 0.920 121.157 119.914 0.537 0.000 2.332 1271 V HA -0.179 3.950 4.120 0.015 0.000 0.248 1271 V C 2.711 178.996 176.094 0.318 0.000 1.055 1271 V CA 1.727 64.222 62.300 0.324 0.000 1.038 1271 V CB -0.620 31.175 31.823 -0.047 0.000 0.651 1271 V HN 0.402 nan 8.190 nan 0.000 0.450 1272 L N -0.488 120.943 121.223 0.346 0.000 1.997 1272 L HA -0.253 4.096 4.340 0.015 0.000 0.216 1272 L C 2.376 179.287 176.870 0.069 0.000 1.074 1272 L CA 1.986 56.972 54.840 0.244 0.000 0.763 1272 L CB -0.275 41.888 42.059 0.174 0.000 0.890 1272 L HN 0.240 nan 8.230 nan 0.000 0.434 1273 L N -1.892 119.234 121.223 -0.161 0.000 2.079 1273 L HA -0.275 4.074 4.340 0.015 0.000 0.210 1273 L C 2.319 179.226 176.870 0.061 0.000 1.081 1273 L CA 1.750 56.508 54.840 -0.136 0.000 0.752 1273 L CB -0.673 41.218 42.059 -0.279 0.000 0.896 1273 L HN 0.530 nan 8.230 nan 0.000 0.433 1274 W N 1.393 122.686 121.300 -0.012 0.000 2.355 1274 W HA -0.202 4.467 4.660 0.015 0.000 0.309 1274 W C 2.452 178.960 176.519 -0.018 0.000 1.206 1274 W CA 1.708 59.067 57.345 0.023 0.000 1.284 1274 W CB -0.023 29.486 29.460 0.082 0.000 1.145 1274 W HN 0.076 nan 8.180 nan 0.000 0.502 1275 E N 0.127 120.512 120.200 0.308 0.000 2.130 1275 E HA -0.278 4.081 4.350 0.015 0.000 0.196 1275 E C 2.166 178.773 176.600 0.013 0.000 0.998 1275 E CA 1.744 58.233 56.400 0.148 0.000 0.806 1275 E CB -0.602 29.284 29.700 0.310 0.000 0.738 1275 E HN 0.380 nan 8.360 nan 0.000 0.459 1276 L N -0.010 121.237 121.223 0.039 0.000 2.027 1276 L HA -0.171 4.179 4.340 0.015 0.000 0.206 1276 L C 2.368 179.205 176.870 -0.054 0.000 1.074 1276 L CA 0.693 55.557 54.840 0.040 0.000 0.745 1276 L CB -0.237 41.866 42.059 0.073 0.000 0.898 1276 L HN 0.241 nan 8.230 nan 0.000 0.433 1277 M N -0.710 118.807 119.600 -0.137 0.000 2.319 1277 M HA -0.068 4.422 4.480 0.015 0.000 0.265 1277 M C 2.220 178.379 176.300 -0.236 0.000 1.068 1277 M CA 1.533 56.728 55.300 -0.175 0.000 1.118 1277 M CB -1.544 30.957 32.600 -0.165 0.000 1.395 1277 M HN 0.346 nan 8.290 nan 0.000 0.435 1278 T N -2.671 111.629 114.554 -0.423 0.000 3.169 1278 T HA 0.171 4.530 4.350 0.015 0.000 0.250 1278 T C 0.702 175.304 174.700 -0.163 0.000 1.111 1278 T CA -0.262 61.604 62.100 -0.390 0.000 1.010 1278 T CB -0.275 68.056 68.868 -0.894 0.000 0.984 1278 T HN 0.444 nan 8.240 nan 0.000 0.537 1279 R N 0.620 121.060 120.500 -0.100 0.000 3.333 1279 R HA -0.150 4.199 4.340 0.015 0.000 0.256 1279 R C 0.951 177.261 176.300 0.016 0.000 1.010 1279 R CA 0.416 56.508 56.100 -0.013 0.000 0.680 1279 R CB -2.319 27.974 30.300 -0.012 0.000 1.102 1279 R HN 0.958 nan 8.270 nan 0.000 0.440 1280 G N -1.722 107.086 108.800 0.013 0.000 2.165 1280 G HA2 -0.184 3.785 3.960 0.015 0.000 0.226 1280 G HA3 -0.184 3.785 3.960 0.015 0.000 0.226 1280 G C 0.175 175.123 174.900 0.080 0.000 1.035 1280 G CA 0.067 45.216 45.100 0.082 0.000 0.744 1280 G HN 0.825 nan 8.290 nan 0.000 0.501 1281 A N 0.590 123.401 122.820 -0.015 0.000 2.371 1281 A HA 0.750 5.079 4.320 0.015 0.000 0.257 1281 A C -1.300 176.395 177.584 0.185 0.000 1.089 1281 A CA -0.973 51.077 52.037 0.021 0.000 0.794 1281 A CB 0.467 19.318 19.000 -0.249 0.000 1.029 1281 A HN 0.287 nan 8.150 nan 0.000 0.488 1282 P HA 0.187 nan 4.420 nan 0.000 0.271 1282 P C -2.701 174.649 177.300 0.085 0.000 1.226 1282 P CA -1.045 62.168 63.100 0.187 0.000 0.765 1282 P CB 0.244 32.040 31.700 0.160 0.000 0.835 1283 P HA -0.001 nan 4.420 nan 0.000 0.271 1283 P C -0.493 176.516 177.300 -0.486 0.000 1.216 1283 P CA 0.124 62.762 63.100 -0.770 0.000 0.776 1283 P CB 0.001 31.063 31.700 -1.064 0.000 0.881 1284 Y N 0.509 120.470 120.300 -0.564 0.000 3.125 1284 Y HA -0.169 4.390 4.550 0.015 0.000 0.200 1284 Y C -1.246 174.521 175.900 -0.222 0.000 1.373 1284 Y CA -0.300 57.542 58.100 -0.430 0.000 1.180 1284 Y CB -2.949 35.145 38.460 -0.608 0.000 1.381 1284 Y HN 0.415 nan 8.280 nan 0.000 0.501 1285 P HA -0.183 nan 4.420 nan 0.000 0.216 1285 P C 1.170 178.509 177.300 0.066 0.000 1.150 1285 P CA 2.199 65.347 63.100 0.081 0.000 0.843 1285 P CB 0.087 31.885 31.700 0.164 0.000 0.787 1286 D N -1.290 119.152 120.400 0.070 0.000 2.363 1286 D HA -0.020 4.629 4.640 0.015 0.000 0.226 1286 D C 0.187 176.506 176.300 0.031 0.000 1.020 1286 D CA 0.297 54.336 54.000 0.065 0.000 0.892 1286 D CB -0.701 40.156 40.800 0.096 0.000 0.900 1286 D HN 0.047 nan 8.370 nan 0.000 0.531 1287 V N 0.978 120.872 119.914 -0.033 0.000 2.417 1287 V HA 0.156 4.285 4.120 0.015 0.000 0.291 1287 V C 0.323 176.358 176.094 -0.099 0.000 1.024 1287 V CA -1.219 61.012 62.300 -0.115 0.000 0.861 1287 V CB 1.378 32.952 31.823 -0.415 0.000 0.985 1287 V HN 0.123 nan 8.190 nan 0.000 0.436 1288 N N 2.680 121.357 118.700 -0.039 0.000 2.454 1288 N HA -0.010 4.739 4.740 0.015 0.000 0.260 1288 N C 1.263 176.747 175.510 -0.042 0.000 1.218 1288 N CA 0.168 53.224 53.050 0.009 0.000 0.904 1288 N CB 1.231 39.763 38.487 0.075 0.000 1.065 1288 N HN 0.751 nan 8.380 nan 0.000 0.462 1289 T N 3.478 118.008 114.554 -0.040 0.000 2.685 1289 T HA -0.190 4.170 4.350 0.015 0.000 0.268 1289 T C 1.234 175.753 174.700 -0.302 0.000 1.034 1289 T CA 1.655 63.643 62.100 -0.187 0.000 1.149 1289 T CB -0.199 68.556 68.868 -0.188 0.000 0.860 1289 T HN 0.504 nan 8.240 nan 0.000 0.449 1290 F N 0.675 120.596 119.950 -0.049 0.000 2.615 1290 F HA 0.120 4.656 4.527 0.014 0.000 0.297 1290 F C 1.913 177.683 175.800 -0.051 0.000 1.124 1290 F CA 0.240 58.215 58.000 -0.043 0.000 1.451 1290 F CB -0.062 38.923 39.000 -0.025 0.000 1.103 1290 F HN 0.073 nan 8.300 nan 0.000 0.569 1291 D N -0.234 120.212 120.400 0.076 0.000 2.349 1291 D HA -0.013 4.636 4.640 0.015 0.000 0.215 1291 D C 2.117 178.398 176.300 -0.032 0.000 1.016 1291 D CA 0.249 54.268 54.000 0.032 0.000 0.870 1291 D CB -0.110 40.718 40.800 0.047 0.000 0.917 1291 D HN 0.111 nan 8.370 nan 0.000 0.524 1292 I N 0.750 121.237 120.570 -0.138 0.000 2.145 1292 I HA -0.350 3.829 4.170 0.015 0.000 0.244 1292 I C 1.894 177.934 176.117 -0.128 0.000 1.075 1292 I CA 1.562 62.715 61.300 -0.245 0.000 1.332 1292 I CB -0.346 37.418 38.000 -0.394 0.000 1.033 1292 I HN -0.018 nan 8.210 nan 0.000 0.410 1293 T N -0.484 114.007 114.554 -0.105 0.000 2.684 1293 T HA -0.179 4.180 4.350 0.015 0.000 0.267 1293 T C 1.993 176.677 174.700 -0.027 0.000 1.036 1293 T CA 1.872 63.924 62.100 -0.080 0.000 1.148 1293 T CB -0.634 68.186 68.868 -0.079 0.000 0.863 1293 T HN 0.213 nan 8.240 nan 0.000 0.436 1294 V N 0.522 120.434 119.914 -0.003 0.000 2.343 1294 V HA -0.178 3.952 4.120 0.015 0.000 0.247 1294 V C 2.034 178.147 176.094 0.032 0.000 1.051 1294 V CA 1.635 63.942 62.300 0.012 0.000 1.036 1294 V CB -0.759 31.076 31.823 0.020 0.000 0.654 1294 V HN 0.502 nan 8.190 nan 0.000 0.451 1295 Y N 0.711 120.961 120.300 -0.083 0.000 2.081 1295 Y HA -0.280 4.280 4.550 0.016 0.000 0.280 1295 Y C 2.211 178.069 175.900 -0.071 0.000 1.163 1295 Y CA 1.990 60.039 58.100 -0.085 0.000 1.135 1295 Y CB -0.366 38.008 38.460 -0.142 0.000 0.970 1295 Y HN 0.162 nan 8.280 nan 0.000 0.498 1296 L N -0.329 120.972 121.223 0.129 0.000 2.083 1296 L HA -0.224 4.125 4.340 0.015 0.000 0.209 1296 L C 2.233 179.105 176.870 0.004 0.000 1.083 1296 L CA 1.078 55.967 54.840 0.081 0.000 0.752 1296 L CB -0.514 41.610 42.059 0.107 0.000 0.899 1296 L HN 0.289 nan 8.230 nan 0.000 0.433 1297 L N -0.853 120.362 121.223 -0.015 0.000 2.610 1297 L HA -0.082 4.267 4.340 0.015 0.000 0.232 1297 L C 2.100 178.943 176.870 -0.045 0.000 1.149 1297 L CA 0.409 55.234 54.840 -0.024 0.000 0.872 1297 L CB -0.178 41.867 42.059 -0.022 0.000 0.992 1297 L HN 0.336 nan 8.230 nan 0.000 0.447 1298 Q N -0.319 119.432 119.800 -0.082 0.000 2.408 1298 Q HA 0.106 4.455 4.340 0.015 0.000 0.205 1298 Q C 1.212 177.146 176.000 -0.110 0.000 0.919 1298 Q CA 0.610 56.354 55.803 -0.099 0.000 0.932 1298 Q CB 0.666 29.323 28.738 -0.135 0.000 1.058 1298 Q HN 0.502 nan 8.270 nan 0.000 0.517 1299 G N 0.710 109.440 108.800 -0.117 0.000 2.151 1299 G HA2 -0.158 3.811 3.960 0.015 0.000 0.140 1299 G HA3 -0.158 3.811 3.960 0.015 0.000 0.140 1299 G C -0.371 174.453 174.900 -0.126 0.000 1.020 1299 G CA -0.700 44.343 45.100 -0.095 0.000 0.688 1299 G HN 0.076 nan 8.290 nan 0.000 0.500 1300 R N 0.117 120.483 120.500 -0.222 0.000 2.589 1300 R HA 0.849 5.198 4.340 0.015 0.000 0.293 1300 R C -0.143 176.102 176.300 -0.090 0.000 0.963 1300 R CA -0.810 55.099 56.100 -0.319 0.000 0.905 1300 R CB 1.345 31.068 30.300 -0.962 0.000 1.144 1300 R HN 0.089 nan 8.270 nan 0.000 0.459 1301 R N 1.657 122.170 120.500 0.022 0.000 2.808 1301 R HA 0.357 4.706 4.340 0.015 0.000 0.272 1301 R C -0.543 175.758 176.300 0.002 0.000 0.995 1301 R CA -1.195 54.915 56.100 0.017 0.000 0.917 1301 R CB 1.129 31.467 30.300 0.063 0.000 1.217 1301 R HN 0.454 nan 8.270 nan 0.000 0.471 1302 L N 2.660 123.637 121.223 -0.409 0.000 2.615 1302 L HA -0.045 4.305 4.340 0.015 0.000 0.284 1302 L C 0.648 177.613 176.870 0.157 0.000 1.237 1302 L CA 0.397 54.938 54.840 -0.499 0.000 0.905 1302 L CB -0.227 41.054 42.059 -1.298 0.000 1.149 1302 L HN 0.279 nan 8.230 nan 0.000 0.499 1303 L N 2.921 124.285 121.223 0.236 0.000 2.482 1303 L HA 0.055 4.404 4.340 0.015 0.000 0.273 1303 L C 0.698 177.679 176.870 0.185 0.000 1.228 1303 L CA -0.146 54.850 54.840 0.261 0.000 0.827 1303 L CB 0.001 42.190 42.059 0.217 0.000 1.099 1303 L HN 0.618 nan 8.230 nan 0.000 0.494 1304 Q N 2.349 121.888 119.800 -0.435 0.000 2.255 1304 Q HA 0.128 4.477 4.340 0.015 0.000 0.280 1304 Q C -2.222 173.640 176.000 -0.230 0.000 1.068 1304 Q CA -1.387 53.927 55.803 -0.815 0.000 0.911 1304 Q CB 0.668 28.797 28.738 -1.015 0.000 1.157 1304 Q HN 0.257 nan 8.270 nan 0.000 0.380 1305 P HA -0.065 nan 4.420 nan 0.000 0.268 1305 P C -0.035 177.187 177.300 -0.131 0.000 1.205 1305 P CA 0.070 63.088 63.100 -0.137 0.000 0.771 1305 P CB 0.730 32.243 31.700 -0.311 0.000 0.858 1306 E N 1.774 121.903 120.200 -0.119 0.000 2.164 1306 E HA -0.276 4.084 4.350 0.015 0.000 0.206 1306 E C 0.254 176.613 176.600 -0.402 0.000 1.032 1306 E CA 1.778 58.006 56.400 -0.286 0.000 0.832 1306 E CB -0.251 29.219 29.700 -0.383 0.000 0.742 1306 E HN 0.565 nan 8.360 nan 0.000 0.460 1307 Y N -1.276 118.954 120.300 -0.117 0.000 2.507 1307 Y HA 0.208 4.767 4.550 0.015 0.000 0.254 1307 Y C 0.367 176.164 175.900 -0.172 0.000 1.171 1307 Y CA -0.679 57.337 58.100 -0.141 0.000 1.238 1307 Y CB 0.531 38.908 38.460 -0.139 0.000 1.148 1307 Y HN 0.060 nan 8.280 nan 0.000 0.525 1308 C N 3.906 123.174 119.300 -0.054 0.000 2.482 1308 C HA 0.390 4.859 4.460 0.015 0.000 0.378 1308 C C -2.143 172.821 174.990 -0.045 0.000 1.284 1308 C CA -2.340 56.638 59.018 -0.066 0.000 1.826 1308 C CB -0.242 27.465 27.740 -0.056 0.000 2.473 1308 C HN 0.162 nan 8.230 nan 0.000 0.562 1309 P HA 0.146 nan 4.420 nan 0.000 0.269 1309 P C 0.474 177.832 177.300 0.096 0.000 1.209 1309 P CA 0.223 63.362 63.100 0.065 0.000 0.776 1309 P CB 0.609 32.422 31.700 0.188 0.000 0.876 1310 D N 4.010 124.468 120.400 0.097 0.000 2.230 1310 D HA -0.205 4.445 4.640 0.015 0.000 0.189 1310 D C -0.511 175.870 176.300 0.135 0.000 1.006 1310 D CA 2.189 56.264 54.000 0.124 0.000 0.853 1310 D CB -2.064 38.790 40.800 0.090 0.000 0.959 1310 D HN 0.442 nan 8.370 nan 0.000 0.449 1311 P HA -0.139 nan 4.420 nan 0.000 0.217 1311 P C 1.870 179.219 177.300 0.082 0.000 1.148 1311 P CA 0.923 64.077 63.100 0.089 0.000 0.828 1311 P CB 0.024 31.783 31.700 0.098 0.000 0.783 1312 L N -1.708 119.578 121.223 0.105 0.000 2.141 1312 L HA -0.102 4.247 4.340 0.015 0.000 0.209 1312 L C 2.674 179.581 176.870 0.062 0.000 1.094 1312 L CA 1.479 56.363 54.840 0.074 0.000 0.763 1312 L CB -1.418 40.679 42.059 0.062 0.000 0.908 1312 L HN -0.172 nan 8.230 nan 0.000 0.437 1313 Y N 0.630 120.908 120.300 -0.037 0.000 2.200 1313 Y HA -0.197 4.362 4.550 0.015 0.000 0.290 1313 Y C 2.365 178.206 175.900 -0.098 0.000 1.137 1313 Y CA 1.836 59.904 58.100 -0.054 0.000 1.163 1313 Y CB -0.226 38.235 38.460 0.002 0.000 0.988 1313 Y HN 0.333 nan 8.280 nan 0.000 0.518 1314 E N -0.760 119.385 120.200 -0.092 0.000 2.114 1314 E HA -0.242 4.117 4.350 0.015 0.000 0.199 1314 E C 2.227 178.691 176.600 -0.228 0.000 1.008 1314 E CA 1.973 58.272 56.400 -0.167 0.000 0.810 1314 E CB -0.344 29.327 29.700 -0.048 0.000 0.739 1314 E HN 0.315 nan 8.360 nan 0.000 0.456 1315 V N 1.117 120.928 119.914 -0.172 0.000 2.261 1315 V HA -0.330 3.800 4.120 0.015 0.000 0.246 1315 V C 2.309 178.169 176.094 -0.389 0.000 1.047 1315 V CA 2.012 64.200 62.300 -0.187 0.000 1.015 1315 V CB -0.496 31.290 31.823 -0.061 0.000 0.642 1315 V HN 0.320 nan 8.190 nan 0.000 0.446 1316 M N -0.552 118.733 119.600 -0.526 0.000 2.088 1316 M HA -0.271 4.219 4.480 0.015 0.000 0.256 1316 M C 2.201 177.646 176.300 -1.425 0.000 1.071 1316 M CA 2.139 56.777 55.300 -1.104 0.000 1.097 1316 M CB -0.731 31.246 32.600 -1.038 0.000 1.315 1316 M HN 0.265 nan 8.290 nan 0.000 0.406 1317 L N -0.375 120.290 121.223 -0.930 0.000 2.046 1317 L HA -0.235 4.114 4.340 0.015 0.000 0.208 1317 L C 2.529 179.189 176.870 -0.350 0.000 1.077 1317 L CA 1.417 55.928 54.840 -0.548 0.000 0.747 1317 L CB -0.787 41.017 42.059 -0.426 0.000 0.896 1317 L HN 0.313 nan 8.230 nan 0.000 0.432 1318 K N -0.336 119.880 120.400 -0.307 0.000 2.009 1318 K HA -0.204 4.125 4.320 0.015 0.000 0.210 1318 K C 2.175 178.670 176.600 -0.175 0.000 1.049 1318 K CA 1.888 58.078 56.287 -0.161 0.000 0.929 1318 K CB -0.475 31.941 32.500 -0.139 0.000 0.714 1318 K HN 0.375 nan 8.250 nan 0.000 0.440 1319 C N -0.219 118.871 119.300 -0.350 0.000 2.403 1319 C HA -0.124 4.345 4.460 0.015 0.000 0.282 1319 C C 1.596 176.438 174.990 -0.245 0.000 1.297 1319 C CA 0.270 59.097 59.018 -0.319 0.000 1.785 1319 C CB -0.926 26.547 27.740 -0.445 0.000 1.963 1319 C HN 0.570 nan 8.230 nan 0.000 0.507 1320 W N -0.345 120.705 121.300 -0.416 0.000 3.223 1320 W HA 0.292 4.962 4.660 0.016 0.000 0.389 1320 W C 0.984 177.348 176.519 -0.259 0.000 1.118 1320 W CA -0.878 55.970 57.345 -0.828 0.000 1.902 1320 W CB -1.590 27.179 29.460 -1.152 0.000 1.094 1320 W HN 0.441 nan 8.180 nan 0.000 0.666 1321 H N 3.830 122.931 119.070 0.053 0.000 3.115 1321 H HA -0.052 4.513 4.556 0.015 0.000 0.324 1321 H C -1.129 174.348 175.328 0.249 0.000 1.007 1321 H CA 0.080 56.193 56.048 0.109 0.000 1.385 1321 H CB 1.384 31.178 29.762 0.054 0.000 1.351 1321 H HN -0.117 nan 8.280 nan 0.000 0.592 1322 P HA -0.079 nan 4.420 nan 0.000 0.220 1322 P C 0.002 177.472 177.300 0.283 0.000 1.148 1322 P CA 1.197 64.443 63.100 0.242 0.000 0.803 1322 P CB 0.450 32.193 31.700 0.072 0.000 0.782 1323 K N 0.037 120.706 120.400 0.447 0.000 2.263 1323 K HA 0.412 4.741 4.320 0.015 0.000 0.272 1323 K C 1.150 177.867 176.600 0.195 0.000 1.033 1323 K CA -0.378 56.071 56.287 0.270 0.000 0.884 1323 K CB 1.502 34.134 32.500 0.221 0.000 1.107 1323 K HN -0.154 nan 8.250 nan 0.000 0.460 1324 A N 3.570 126.467 122.820 0.129 0.000 1.986 1324 A HA -0.233 4.096 4.320 0.015 0.000 0.220 1324 A C 1.828 179.426 177.584 0.023 0.000 1.171 1324 A CA 1.855 53.947 52.037 0.092 0.000 0.640 1324 A CB -0.266 18.773 19.000 0.065 0.000 0.811 1324 A HN 0.815 nan 8.150 nan 0.000 0.451 1325 E N -0.310 119.885 120.200 -0.007 0.000 2.077 1325 E HA -0.213 4.147 4.350 0.015 0.000 0.193 1325 E C 1.584 178.121 176.600 -0.105 0.000 0.989 1325 E CA 1.419 57.792 56.400 -0.045 0.000 0.800 1325 E CB -0.693 28.985 29.700 -0.037 0.000 0.746 1325 E HN 0.509 nan 8.360 nan 0.000 0.452 1326 M N 1.042 120.519 119.600 -0.204 0.000 2.549 1326 M HA 0.053 4.542 4.480 0.015 0.000 0.260 1326 M C 0.871 177.015 176.300 -0.260 0.000 1.076 1326 M CA 0.607 55.680 55.300 -0.378 0.000 1.090 1326 M CB -0.903 31.063 32.600 -1.057 0.000 1.418 1326 M HN -0.032 nan 8.290 nan 0.000 0.486 1327 R N 1.448 121.875 120.500 -0.121 0.000 2.539 1327 R HA 0.215 4.564 4.340 0.015 0.000 0.275 1327 R C -2.118 174.118 176.300 -0.106 0.000 1.077 1327 R CA -1.487 54.573 56.100 -0.066 0.000 1.097 1327 R CB -0.180 30.122 30.300 0.003 0.000 1.018 1327 R HN 0.031 nan 8.270 nan 0.000 0.483 1328 P HA -0.012 nan 4.420 nan 0.000 0.271 1328 P C -0.462 176.717 177.300 -0.202 0.000 1.218 1328 P CA -0.250 62.768 63.100 -0.136 0.000 0.780 1328 P CB 1.014 32.639 31.700 -0.126 0.000 0.901 1329 S N 1.696 117.298 115.700 -0.163 0.000 2.614 1329 S HA 0.212 4.691 4.470 0.015 0.000 0.265 1329 S C 1.102 175.569 174.600 -0.222 0.000 1.303 1329 S CA -0.322 57.768 58.200 -0.182 0.000 1.000 1329 S CB -0.132 63.028 63.200 -0.067 0.000 0.935 1329 S HN 0.300 nan 8.310 nan 0.000 0.551 1330 F N 1.029 120.916 119.950 -0.106 0.000 2.161 1330 F HA -0.136 4.400 4.527 0.015 0.000 0.300 1330 F C 2.972 178.697 175.800 -0.125 0.000 1.089 1330 F CA 1.604 59.503 58.000 -0.169 0.000 1.282 1330 F CB -0.546 38.346 39.000 -0.180 0.000 1.010 1330 F HN 0.591 nan 8.300 nan 0.000 0.485 1331 S N -0.297 115.453 115.700 0.083 0.000 2.353 1331 S HA -0.303 4.176 4.470 0.015 0.000 0.222 1331 S C 1.980 176.589 174.600 0.015 0.000 1.035 1331 S CA 1.722 59.946 58.200 0.038 0.000 1.025 1331 S CB -0.488 62.727 63.200 0.024 0.000 0.902 1331 S HN 0.506 nan 8.310 nan 0.000 0.440 1332 E N 0.838 121.032 120.200 -0.010 0.000 2.110 1332 E HA -0.150 4.209 4.350 0.015 0.000 0.193 1332 E C 1.956 178.548 176.600 -0.014 0.000 0.988 1332 E CA 0.875 57.264 56.400 -0.018 0.000 0.804 1332 E CB -0.202 29.474 29.700 -0.039 0.000 0.745 1332 E HN 0.446 nan 8.360 nan 0.000 0.458 1333 L N 0.204 121.407 121.223 -0.034 0.000 2.046 1333 L HA -0.178 4.171 4.340 0.015 0.000 0.208 1333 L C 2.532 179.423 176.870 0.035 0.000 1.077 1333 L CA 0.767 55.600 54.840 -0.011 0.000 0.747 1333 L CB -0.346 41.650 42.059 -0.105 0.000 0.896 1333 L HN 0.094 nan 8.230 nan 0.000 0.432 1334 V N -1.185 118.746 119.914 0.028 0.000 2.307 1334 V HA -0.290 3.839 4.120 0.015 0.000 0.245 1334 V C 2.686 178.807 176.094 0.046 0.000 1.045 1334 V CA 1.993 64.315 62.300 0.037 0.000 1.024 1334 V CB -0.329 31.510 31.823 0.027 0.000 0.651 1334 V HN 0.460 nan 8.190 nan 0.000 0.449 1335 S N -0.343 115.380 115.700 0.038 0.000 2.353 1335 S HA -0.234 4.245 4.470 0.015 0.000 0.222 1335 S C 2.197 176.828 174.600 0.051 0.000 1.035 1335 S CA 1.833 60.057 58.200 0.040 0.000 1.025 1335 S CB -0.217 62.999 63.200 0.027 0.000 0.902 1335 S HN 0.560 nan 8.310 nan 0.000 0.440 1336 R N 0.122 120.650 120.500 0.048 0.000 2.075 1336 R HA 0.095 4.444 4.340 0.015 0.000 0.232 1336 R C 2.325 178.679 176.300 0.091 0.000 1.126 1336 R CA 1.636 57.770 56.100 0.058 0.000 0.963 1336 R CB -0.407 29.918 30.300 0.041 0.000 0.858 1336 R HN 0.470 nan 8.270 nan 0.000 0.435 1337 I N 0.254 120.888 120.570 0.108 0.000 2.439 1337 I HA -0.209 3.971 4.170 0.015 0.000 0.251 1337 I C 2.106 178.326 176.117 0.171 0.000 1.139 1337 I CA 0.851 62.239 61.300 0.146 0.000 1.438 1337 I CB -0.188 37.912 38.000 0.167 0.000 1.085 1337 I HN 0.082 nan 8.210 nan 0.000 0.427 1338 S N 0.967 116.749 115.700 0.136 0.000 2.365 1338 S HA -0.269 4.211 4.470 0.015 0.000 0.225 1338 S C 2.314 177.035 174.600 0.202 0.000 1.039 1338 S CA 1.642 59.943 58.200 0.168 0.000 1.033 1338 S CB -0.409 62.857 63.200 0.109 0.000 0.887 1338 S HN 0.566 nan 8.310 nan 0.000 0.447 1339 A N 1.314 124.215 122.820 0.135 0.000 1.873 1339 A HA -0.153 4.176 4.320 0.015 0.000 0.218 1339 A C 2.095 179.754 177.584 0.126 0.000 1.193 1339 A CA 1.758 53.857 52.037 0.103 0.000 0.629 1339 A CB -0.856 18.186 19.000 0.070 0.000 0.826 1339 A HN 0.512 nan 8.150 nan 0.000 0.447 1340 I N -2.156 118.520 120.570 0.177 0.000 2.163 1340 I HA -0.213 3.966 4.170 0.015 0.000 0.240 1340 I C 2.352 178.689 176.117 0.366 0.000 1.081 1340 I CA 1.665 63.114 61.300 0.248 0.000 1.353 1340 I CB -0.465 37.694 38.000 0.265 0.000 1.054 1340 I HN 0.449 nan 8.210 nan 0.000 0.407 1341 F N 2.118 122.185 119.950 0.194 0.000 2.115 1341 F HA -0.376 4.160 4.527 0.016 0.000 0.300 1341 F C 2.819 178.702 175.800 0.138 0.000 1.092 1341 F CA 2.027 60.137 58.000 0.183 0.000 1.245 1341 F CB -0.260 38.798 39.000 0.097 0.000 0.995 1341 F HN 0.165 nan 8.300 nan 0.000 0.481 1342 S N -1.320 114.433 115.700 0.088 0.000 2.500 1342 S HA -0.176 4.303 4.470 0.015 0.000 0.239 1342 S C 1.725 176.226 174.600 -0.164 0.000 0.989 1342 S CA 1.225 59.385 58.200 -0.067 0.000 0.951 1342 S CB -1.260 61.962 63.200 0.037 0.000 0.759 1342 S HN 0.636 nan 8.310 nan 0.000 0.523 1343 T N -2.517 111.919 114.554 -0.197 0.000 3.044 1343 T HA 0.371 4.730 4.350 0.015 0.000 0.250 1343 T C 0.053 174.419 174.700 -0.556 0.000 1.081 1343 T CA -0.489 61.385 62.100 -0.378 0.000 1.040 1343 T CB -0.410 68.171 68.868 -0.478 0.000 0.962 1343 T HN 0.240 nan 8.240 nan 0.000 0.506 1344 F N 1.832 121.668 119.950 -0.190 0.000 2.422 1344 F HA 0.560 5.096 4.527 0.016 0.000 0.333 1344 F C 0.992 176.623 175.800 -0.281 0.000 1.095 1344 F CA -1.914 55.975 58.000 -0.184 0.000 1.038 1344 F CB 1.696 40.611 39.000 -0.141 0.000 1.156 1344 F HN 0.077 nan 8.300 nan 0.000 0.483 1345 I N -0.397 120.132 120.570 -0.068 0.000 3.966 1345 I HA 0.480 4.659 4.170 0.015 0.000 0.324 1345 I C 0.736 176.752 176.117 -0.168 0.000 1.517 1345 I CA -0.040 61.169 61.300 -0.153 0.000 1.117 1345 I CB 0.546 38.457 38.000 -0.147 0.000 1.190 1345 I HN 0.752 nan 8.210 nan 0.000 0.466 1346 G N 1.814 110.499 108.800 -0.191 0.000 2.137 1346 G HA2 -0.251 3.718 3.960 0.015 0.000 0.237 1346 G HA3 -0.251 3.718 3.960 0.015 0.000 0.237 1346 G C 0.428 175.113 174.900 -0.359 0.000 1.002 1346 G CA 0.567 45.495 45.100 -0.287 0.000 0.702 1346 G HN 0.617 nan 8.290 nan 0.000 0.515 1347 E N -0.646 119.344 120.200 -0.350 0.000 2.190 1347 E HA 0.017 4.376 4.350 0.015 0.000 0.191 1347 E C 0.279 176.622 176.600 -0.428 0.000 0.978 1347 E CA 0.117 56.284 56.400 -0.390 0.000 0.839 1347 E CB 0.105 29.502 29.700 -0.505 0.000 0.787 1347 E HN 0.663 nan 8.360 nan 0.000 0.473 1348 H N 0.254 119.215 119.070 -0.182 0.000 2.787 1348 H HA 0.126 4.691 4.556 0.015 0.000 0.275 1348 H C -0.890 174.226 175.328 -0.353 0.000 1.183 1348 H CA -0.380 55.588 56.048 -0.133 0.000 1.290 1348 H CB -0.539 29.218 29.762 -0.007 0.000 1.438 1348 H HN 0.055 nan 8.280 nan 0.000 0.487 1349 Y N 1.510 121.751 120.300 -0.098 0.000 2.442 1349 Y HA 0.061 4.620 4.550 0.015 0.000 0.330 1349 Y C 0.802 176.261 175.900 -0.735 0.000 1.129 1349 Y CA -0.046 57.842 58.100 -0.352 0.000 1.365 1349 Y CB 0.733 39.008 38.460 -0.307 0.000 1.233 1349 Y HN 0.262 nan 8.280 nan 0.000 0.529 1350 V N 5.052 124.554 119.914 -0.687 0.000 2.427 1350 V HA 0.294 4.424 4.120 0.015 0.000 0.286 1350 V C -0.175 175.402 176.094 -0.861 0.000 1.034 1350 V CA -0.759 60.924 62.300 -1.029 0.000 0.893 1350 V CB 0.745 32.195 31.823 -0.623 0.000 0.982 1350 V HN 0.704 nan 8.190 nan 0.000 0.452 1351 H N 2.130 120.847 119.070 -0.588 0.000 2.690 1351 H HA 0.470 5.035 4.556 0.015 0.000 0.368 1351 H C -0.674 174.629 175.328 -0.041 0.000 1.150 1351 H CA -0.742 55.200 56.048 -0.177 0.000 1.174 1351 H CB 2.141 31.875 29.762 -0.047 0.000 1.684 1351 H HN 0.460 nan 8.280 nan 0.000 0.538 1352 V N 1.353 121.346 119.914 0.131 0.000 2.585 1352 V HA -0.039 4.090 4.120 0.015 0.000 0.296 1352 V C 0.903 177.079 176.094 0.137 0.000 1.035 1352 V CA -0.519 61.849 62.300 0.113 0.000 1.084 1352 V CB -0.299 31.571 31.823 0.078 0.000 0.953 1352 V HN 0.682 nan 8.190 nan 0.000 0.483 1353 N N 3.551 122.338 118.700 0.144 0.000 2.492 1353 N HA 0.287 5.036 4.740 0.015 0.000 0.262 1353 N C 1.149 176.635 175.510 -0.040 0.000 1.202 1353 N CA 0.479 53.556 53.050 0.045 0.000 0.926 1353 N CB 1.351 39.841 38.487 0.004 0.000 1.078 1353 N HN 0.845 nan 8.380 nan 0.000 0.454 1354 A N 2.613 125.384 122.820 -0.082 0.000 1.940 1354 A HA -0.149 4.180 4.320 0.015 0.000 0.219 1354 A C 2.006 179.526 177.584 -0.106 0.000 1.176 1354 A CA 1.900 53.892 52.037 -0.074 0.000 0.631 1354 A CB -0.876 18.084 19.000 -0.067 0.000 0.814 1354 A HN 0.788 nan 8.150 nan 0.000 0.446 1355 T N -1.463 112.944 114.554 -0.245 0.000 2.942 1355 T HA -0.038 4.321 4.350 0.015 0.000 0.265 1355 T C 1.462 176.100 174.700 -0.102 0.000 1.062 1355 T CA 1.479 63.429 62.100 -0.250 0.000 1.139 1355 T CB -0.314 68.306 68.868 -0.414 0.000 0.883 1355 T HN 0.610 nan 8.240 nan 0.000 0.468 1356 Y N 0.576 120.908 120.300 0.053 0.000 2.503 1356 Y HA 0.359 4.918 4.550 0.015 0.000 0.278 1356 Y C 1.161 177.095 175.900 0.057 0.000 1.111 1356 Y CA -1.332 56.809 58.100 0.068 0.000 1.270 1356 Y CB -0.786 37.709 38.460 0.058 0.000 1.063 1356 Y HN -0.099 nan 8.280 nan 0.000 0.548 1357 V N 2.671 122.680 119.914 0.159 0.000 2.557 1357 V HA -0.126 4.003 4.120 0.015 0.000 0.301 1357 V C 0.219 176.366 176.094 0.090 0.000 1.026 1357 V CA 0.466 62.829 62.300 0.105 0.000 1.137 1357 V CB -0.754 31.105 31.823 0.060 0.000 0.917 1357 V HN 0.679 nan 8.190 nan 0.000 0.484 1358 N N 1.968 120.718 118.700 0.084 0.000 2.771 1358 N HA -0.131 4.618 4.740 0.015 0.000 0.249 1358 N C -0.875 174.685 175.510 0.083 0.000 1.069 1358 N CA 0.229 53.321 53.050 0.070 0.000 0.688 1358 N CB -0.468 38.049 38.487 0.051 0.000 0.928 1358 N HN 0.394 nan 8.380 nan 0.000 0.551 1359 V N -0.234 119.743 119.914 0.104 0.000 2.531 1359 V HA 0.746 4.875 4.120 0.015 0.000 0.301 1359 V C 0.710 176.868 176.094 0.108 0.000 1.034 1359 V CA -0.370 61.996 62.300 0.110 0.000 0.865 1359 V CB 1.607 33.513 31.823 0.139 0.000 0.995 1359 V HN 0.344 nan 8.190 nan 0.000 0.424 1360 K N 0.000 120.457 120.400 0.094 0.000 2.780 1360 K HA 0.000 4.329 4.320 0.015 0.000 0.191 1360 K CA 0.000 56.344 56.287 0.096 0.000 0.838 1360 K CB 0.000 32.547 32.500 0.079 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543