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 3f66_1_A DATA FIRST_RESID 1052 DATA SEQUENCE HIDLSALNPE LVQAVQHVVI GPSSLIVHFN EVIGRGHFGC VYHGTLLXXX DATA SEQUENCE XXKIHCAVKS LNRITDIGEV SQFLTEGIIM KDFSHPNVLS LLGICLRSEG DATA SEQUENCE SPLVVLPYMK HGDLRNFIRN ETHNPTVKDL IGFGLQVAKG MKYLASKKFV DATA SEQUENCE HRDLAARNCM LDEKFTVKVA DFGLARDMYD KEYYSVXXXX XAKLPVKWMA DATA SEQUENCE LESLQTQKFT TKSDVWSFGV LLWELMTRGA PPYPDVNTFD ITVYLLQGRR DATA SEQUENCE LLQPEYCPDP LYEVMLKCWH PKAEMRPSFS ELVSRISAIF STFIGEHY 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 1052 H HA 0.000 nan 4.556 nan 0.000 0.296 1052 H C 0.000 175.308 175.328 -0.034 0.000 0.993 1052 H CA 0.000 56.026 56.048 -0.037 0.000 1.023 1052 H CB 0.000 29.743 29.762 -0.031 0.000 1.292 1053 I N 2.126 122.720 120.570 0.039 0.000 2.353 1053 I HA 0.079 4.251 4.170 0.004 0.000 0.293 1053 I C 0.120 176.255 176.117 0.029 0.000 0.992 1053 I CA -0.168 61.141 61.300 0.015 0.000 1.268 1053 I CB 1.240 39.223 38.000 -0.028 0.000 1.387 1053 I HN 0.720 nan 8.210 nan 0.000 0.478 1054 D N 7.225 127.639 120.400 0.023 0.000 2.498 1054 D HA 0.002 4.644 4.640 0.004 0.000 0.229 1054 D C 1.136 177.445 176.300 0.015 0.000 1.188 1054 D CA -0.274 53.737 54.000 0.019 0.000 1.028 1054 D CB 0.414 41.222 40.800 0.013 0.000 1.087 1054 D HN 0.284 nan 8.370 nan 0.000 0.510 1055 L N 1.970 123.204 121.223 0.017 0.000 2.187 1055 L HA -0.157 4.186 4.340 0.004 0.000 0.213 1055 L C 2.374 179.253 176.870 0.015 0.000 1.100 1055 L CA 1.158 56.008 54.840 0.017 0.000 0.765 1055 L CB -0.971 41.099 42.059 0.018 0.000 0.904 1055 L HN 0.250 nan 8.230 nan 0.000 0.437 1056 S N -0.562 115.145 115.700 0.012 0.000 2.423 1056 S HA -0.085 4.387 4.470 0.004 0.000 0.231 1056 S C 2.038 176.644 174.600 0.009 0.000 1.014 1056 S CA 0.905 59.111 58.200 0.009 0.000 0.965 1056 S CB -0.230 62.974 63.200 0.006 0.000 0.785 1056 S HN 0.510 nan 8.310 nan 0.000 0.495 1057 A N 0.830 123.656 122.820 0.010 0.000 2.169 1057 A HA 0.292 4.614 4.320 0.004 0.000 0.212 1057 A C 0.776 178.367 177.584 0.012 0.000 1.153 1057 A CA 0.079 52.122 52.037 0.010 0.000 0.756 1057 A CB -0.354 18.651 19.000 0.009 0.000 0.813 1057 A HN 0.404 nan 8.150 nan 0.000 0.471 1058 L N 1.278 122.510 121.223 0.015 0.000 2.485 1058 L HA -0.004 4.339 4.340 0.004 0.000 0.275 1058 L C 0.793 177.673 176.870 0.015 0.000 1.207 1058 L CA -0.385 54.466 54.840 0.018 0.000 0.855 1058 L CB 0.064 42.136 42.059 0.023 0.000 1.114 1058 L HN 0.393 nan 8.230 nan 0.000 0.485 1059 N N 5.540 124.249 118.700 0.015 0.000 2.411 1059 N HA -0.023 4.719 4.740 0.004 0.000 0.261 1059 N C -1.605 173.913 175.510 0.014 0.000 1.248 1059 N CA -0.929 52.129 53.050 0.013 0.000 0.885 1059 N CB 1.233 39.728 38.487 0.014 0.000 1.062 1059 N HN 0.378 nan 8.380 nan 0.000 0.471 1060 P HA -0.057 nan 4.420 nan 0.000 0.223 1060 P C 0.410 177.718 177.300 0.013 0.000 1.151 1060 P CA 1.149 64.256 63.100 0.012 0.000 0.787 1060 P CB 0.431 32.138 31.700 0.011 0.000 0.788 1061 E N -0.439 119.769 120.200 0.013 0.000 2.112 1061 E HA -0.071 4.281 4.350 0.004 0.000 0.190 1061 E C 2.039 178.649 176.600 0.016 0.000 0.979 1061 E CA 0.344 56.753 56.400 0.014 0.000 0.814 1061 E CB -0.526 29.182 29.700 0.013 0.000 0.762 1061 E HN 0.099 nan 8.360 nan 0.000 0.460 1062 L N 0.945 122.176 121.223 0.015 0.000 2.017 1062 L HA -0.182 4.160 4.340 0.004 0.000 0.208 1062 L C 2.285 179.162 176.870 0.012 0.000 1.073 1062 L CA 1.280 56.128 54.840 0.014 0.000 0.745 1062 L CB -0.265 41.801 42.059 0.013 0.000 0.894 1062 L HN -0.047 nan 8.230 nan 0.000 0.432 1063 V N -0.590 119.332 119.914 0.013 0.000 2.380 1063 V HA -0.382 3.741 4.120 0.004 0.000 0.251 1063 V C 2.521 178.624 176.094 0.014 0.000 1.063 1063 V CA 2.152 64.460 62.300 0.013 0.000 1.055 1063 V CB -0.689 31.143 31.823 0.015 0.000 0.657 1063 V HN 0.620 nan 8.190 nan 0.000 0.455 1064 Q N -0.428 119.383 119.800 0.019 0.000 2.079 1064 Q HA -0.156 4.186 4.340 0.004 0.000 0.200 1064 Q C 2.271 178.295 176.000 0.039 0.000 0.974 1064 Q CA 1.688 57.506 55.803 0.026 0.000 0.840 1064 Q CB -0.259 28.492 28.738 0.023 0.000 0.898 1064 Q HN 0.651 nan 8.270 nan 0.000 0.430 1065 A N -0.370 122.472 122.820 0.037 0.000 2.015 1065 A HA -0.076 4.246 4.320 0.004 0.000 0.219 1065 A C 1.920 179.546 177.584 0.071 0.000 1.163 1065 A CA 1.211 53.283 52.037 0.058 0.000 0.646 1065 A CB -0.095 18.930 19.000 0.042 0.000 0.806 1065 A HN 0.295 nan 8.150 nan 0.000 0.448 1066 V N -0.378 119.541 119.914 0.009 0.000 3.506 1066 V HA -0.088 4.034 4.120 0.004 0.000 0.263 1066 V C 2.235 178.268 176.094 -0.101 0.000 1.203 1066 V CA 0.787 63.041 62.300 -0.078 0.000 1.133 1066 V CB -0.313 31.463 31.823 -0.079 0.000 0.802 1066 V HN 0.446 nan 8.190 nan 0.000 0.459 1067 Q N 1.105 120.904 119.800 -0.003 0.000 2.217 1067 Q HA -0.237 4.105 4.340 0.004 0.000 0.209 1067 Q C 2.163 178.167 176.000 0.006 0.000 0.988 1067 Q CA 2.053 57.862 55.803 0.010 0.000 0.878 1067 Q CB -0.460 28.305 28.738 0.045 0.000 0.909 1067 Q HN 0.959 nan 8.270 nan 0.000 0.424 1068 H N -1.407 117.656 119.070 -0.011 0.000 2.555 1068 H HA 0.074 4.632 4.556 0.004 0.000 0.269 1068 H C 1.360 176.677 175.328 -0.019 0.000 0.988 1068 H CA 0.832 56.873 56.048 -0.011 0.000 1.178 1068 H CB 0.067 29.825 29.762 -0.007 0.000 1.373 1068 H HN 0.032 nan 8.280 nan 0.000 0.588 1069 V N 0.829 120.467 119.914 -0.460 0.000 3.506 1069 V HA 0.049 4.171 4.120 0.004 0.000 0.263 1069 V C 1.188 177.193 176.094 -0.150 0.000 1.203 1069 V CA 0.038 62.157 62.300 -0.302 0.000 1.133 1069 V CB 0.182 31.790 31.823 -0.360 0.000 0.802 1069 V HN 0.062 nan 8.190 nan 0.000 0.459 1070 V N 2.004 121.856 119.914 -0.103 0.000 2.546 1070 V HA 0.328 4.451 4.120 0.004 0.000 0.284 1070 V C -0.100 175.981 176.094 -0.021 0.000 1.050 1070 V CA -0.106 62.165 62.300 -0.049 0.000 0.981 1070 V CB 1.603 33.409 31.823 -0.028 0.000 0.990 1070 V HN 0.248 nan 8.190 nan 0.000 0.474 1071 I N 3.793 124.358 120.570 -0.008 0.000 2.362 1071 I HA 0.401 4.573 4.170 0.004 0.000 0.289 1071 I C 1.020 177.141 176.117 0.006 0.000 0.994 1071 I CA -0.418 60.881 61.300 -0.001 0.000 1.158 1071 I CB 1.531 39.530 38.000 -0.002 0.000 1.315 1071 I HN 0.728 nan 8.210 nan 0.000 0.451 1072 G N 7.043 115.846 108.800 0.004 0.000 2.272 1072 G HA2 0.102 4.064 3.960 0.004 0.000 0.247 1072 G HA3 0.102 4.064 3.960 0.004 0.000 0.247 1072 G C -1.631 173.271 174.900 0.004 0.000 1.272 1072 G CA -0.733 44.370 45.100 0.006 0.000 0.921 1072 G HN 0.430 nan 8.290 nan 0.000 0.495 1073 P HA -0.308 nan 4.420 nan 0.000 0.220 1073 P C 2.349 179.648 177.300 -0.002 0.000 1.155 1073 P CA 2.290 65.393 63.100 0.005 0.000 0.880 1073 P CB 0.038 31.744 31.700 0.009 0.000 0.790 1074 S N -1.315 114.385 115.700 -0.001 0.000 2.389 1074 S HA -0.201 4.272 4.470 0.004 0.000 0.231 1074 S C 1.865 176.461 174.600 -0.008 0.000 1.052 1074 S CA 2.113 60.311 58.200 -0.003 0.000 1.053 1074 S CB -1.577 61.622 63.200 -0.001 0.000 0.886 1074 S HN 0.127 nan 8.310 nan 0.000 0.456 1075 S N 0.927 116.622 115.700 -0.008 0.000 2.593 1075 S HA 0.439 4.911 4.470 0.004 0.000 0.217 1075 S C -0.120 174.468 174.600 -0.020 0.000 0.966 1075 S CA -0.255 57.939 58.200 -0.011 0.000 0.914 1075 S CB -0.162 63.035 63.200 -0.006 0.000 0.776 1075 S HN 0.520 nan 8.310 nan 0.000 0.523 1076 L N 1.476 122.681 121.223 -0.031 0.000 2.439 1076 L HA 0.577 4.920 4.340 0.004 0.000 0.270 1076 L C -1.496 175.321 176.870 -0.089 0.000 0.972 1076 L CA -0.553 54.255 54.840 -0.054 0.000 0.836 1076 L CB 1.229 43.262 42.059 -0.044 0.000 1.255 1076 L HN 0.005 nan 8.230 nan 0.000 0.404 1077 I N 5.780 126.261 120.570 -0.149 0.000 2.339 1077 I HA 0.423 4.596 4.170 0.004 0.000 0.290 1077 I C -0.481 175.369 176.117 -0.446 0.000 0.994 1077 I CA -0.929 60.221 61.300 -0.250 0.000 1.191 1077 I CB 1.640 39.481 38.000 -0.265 0.000 1.343 1077 I HN 0.244 nan 8.210 nan 0.000 0.458 1078 V N 5.608 125.248 119.914 -0.455 0.000 2.465 1078 V HA 0.186 4.308 4.120 0.004 0.000 0.279 1078 V C 0.158 175.786 176.094 -0.777 0.000 1.045 1078 V CA -0.640 61.235 62.300 -0.708 0.000 0.938 1078 V CB 0.723 31.911 31.823 -1.059 0.000 0.986 1078 V HN 0.563 nan 8.190 nan 0.000 0.467 1079 H N 5.600 124.461 119.070 -0.347 0.000 2.914 1079 H HA 0.251 4.809 4.556 0.004 0.000 0.264 1079 H C 0.459 175.681 175.328 -0.177 0.000 1.433 1079 H CA -0.382 55.566 56.048 -0.167 0.000 1.342 1079 H CB 0.212 29.954 29.762 -0.034 0.000 1.582 1079 H HN 0.635 nan 8.280 nan 0.000 0.525 1080 F N 0.881 120.811 119.950 -0.033 0.000 2.451 1080 F HA -0.116 4.413 4.527 0.004 0.000 0.299 1080 F C 1.686 177.554 175.800 0.113 0.000 1.101 1080 F CA 0.500 58.387 58.000 -0.189 0.000 1.436 1080 F CB 0.152 38.964 39.000 -0.314 0.000 1.074 1080 F HN 0.311 nan 8.300 nan 0.000 0.553 1081 N N 0.294 119.151 118.700 0.262 0.000 2.398 1081 N HA -0.026 4.717 4.740 0.004 0.000 0.188 1081 N C -0.381 175.247 175.510 0.197 0.000 1.122 1081 N CA 0.444 53.618 53.050 0.208 0.000 0.866 1081 N CB -0.144 38.421 38.487 0.129 0.000 0.970 1081 N HN 0.381 nan 8.380 nan 0.000 0.462 1082 E N 0.659 121.011 120.200 0.253 0.000 2.173 1082 E HA 0.242 4.594 4.350 0.004 0.000 0.249 1082 E C -0.751 176.094 176.600 0.410 0.000 0.923 1082 E CA -0.340 56.215 56.400 0.258 0.000 0.754 1082 E CB 1.578 31.360 29.700 0.137 0.000 1.177 1082 E HN -0.163 nan 8.360 nan 0.000 0.430 1083 V N 4.706 124.790 119.914 0.285 0.000 2.427 1083 V HA 0.064 4.186 4.120 0.004 0.000 0.268 1083 V C 1.404 177.560 176.094 0.104 0.000 1.046 1083 V CA 0.182 62.556 62.300 0.124 0.000 0.970 1083 V CB 0.532 32.384 31.823 0.049 0.000 1.001 1083 V HN 0.743 nan 8.190 nan 0.000 0.476 1084 I N 3.256 123.826 120.570 -0.000 0.000 2.277 1084 I HA 0.200 4.372 4.170 0.004 0.000 0.243 1084 I C 1.284 177.379 176.117 -0.037 0.000 1.094 1084 I CA 1.482 62.763 61.300 -0.032 0.000 1.393 1084 I CB 0.006 37.907 38.000 -0.166 0.000 1.078 1084 I HN 0.788 nan 8.210 nan 0.000 0.417 1085 G N -0.098 108.653 108.800 -0.083 0.000 2.428 1085 G HA2 0.511 4.473 3.960 0.004 0.000 0.304 1085 G HA3 0.511 4.473 3.960 0.004 0.000 0.304 1085 G C -1.611 173.263 174.900 -0.043 0.000 1.303 1085 G CA -0.679 44.396 45.100 -0.041 0.000 0.825 1085 G HN 0.092 nan 8.290 nan 0.000 0.484 1086 R N -0.717 119.811 120.500 0.047 0.000 2.668 1086 R HA 0.674 5.017 4.340 0.004 0.000 0.272 1086 R C -0.342 176.060 176.300 0.170 0.000 1.019 1086 R CA -0.085 56.051 56.100 0.060 0.000 0.894 1086 R CB 1.773 32.076 30.300 0.005 0.000 1.228 1086 R HN 1.182 nan 8.270 nan 0.000 0.460 1087 G N 0.209 109.048 108.800 0.066 0.000 3.013 1087 G HA2 0.149 4.111 3.960 0.004 0.000 0.278 1087 G HA3 0.149 4.111 3.960 0.004 0.000 0.278 1087 G C -0.016 174.785 174.900 -0.165 0.000 1.353 1087 G CA -0.416 44.581 45.100 -0.172 0.000 1.043 1087 G HN 0.794 nan 8.290 nan 0.000 0.523 1088 H N -0.678 118.175 119.070 -0.362 0.000 2.387 1088 H HA -0.066 4.492 4.556 0.004 0.000 0.299 1088 H C 1.300 176.422 175.328 -0.342 0.000 1.099 1088 H CA 1.513 57.323 56.048 -0.395 0.000 1.315 1088 H CB 0.086 29.485 29.762 -0.606 0.000 1.380 1088 H HN 0.308 nan 8.280 nan 0.000 0.513 1089 F N 0.318 120.158 119.950 -0.183 0.000 2.797 1089 F HA 0.299 4.828 4.527 0.004 0.000 0.302 1089 F C 1.347 177.060 175.800 -0.145 0.000 1.130 1089 F CA 0.824 58.720 58.000 -0.174 0.000 1.387 1089 F CB 0.579 39.523 39.000 -0.094 0.000 1.107 1089 F HN 0.294 nan 8.300 nan 0.000 0.577 1090 G N -1.388 107.419 108.800 0.012 0.000 2.352 1090 G HA2 0.192 4.155 3.960 0.004 0.000 0.305 1090 G HA3 0.192 4.155 3.960 0.004 0.000 0.305 1090 G C -1.614 173.294 174.900 0.014 0.000 1.537 1090 G CA -1.386 43.732 45.100 0.029 0.000 0.959 1090 G HN -0.063 nan 8.290 nan 0.000 0.668 1091 C N -0.086 119.214 119.300 0.000 0.000 2.534 1091 C HA 0.698 5.161 4.460 0.004 0.000 0.385 1091 C C 0.845 175.685 174.990 -0.250 0.000 1.264 1091 C CA -0.321 58.600 59.018 -0.163 0.000 2.342 1091 C CB 0.665 28.248 27.740 -0.261 0.000 2.564 1091 C HN 0.631 nan 8.230 nan 0.000 0.603 1092 V N 2.929 122.621 119.914 -0.370 0.000 2.495 1092 V HA 0.469 4.591 4.120 0.004 0.000 0.298 1092 V C -0.930 174.892 176.094 -0.454 0.000 1.031 1092 V CA -0.504 61.633 62.300 -0.273 0.000 0.871 1092 V CB 0.921 32.679 31.823 -0.108 0.000 0.988 1092 V HN 0.806 nan 8.190 nan 0.000 0.432 1093 Y N 1.675 121.965 120.300 -0.015 0.000 2.562 1093 Y HA 0.532 5.085 4.550 0.004 0.000 0.343 1093 Y C 0.678 176.563 175.900 -0.025 0.000 1.025 1093 Y CA -1.008 57.084 58.100 -0.012 0.000 1.082 1093 Y CB 1.278 39.666 38.460 -0.119 0.000 1.264 1093 Y HN 0.546 nan 8.280 nan 0.000 0.478 1094 H N 0.555 119.764 119.070 0.232 0.000 2.732 1094 H HA 0.414 4.973 4.556 0.004 0.000 0.351 1094 H C 0.081 175.532 175.328 0.205 0.000 1.090 1094 H CA 0.477 56.670 56.048 0.242 0.000 1.431 1094 H CB 1.064 30.975 29.762 0.247 0.000 1.447 1094 H HN 0.904 nan 8.280 nan 0.000 0.582 1095 G N 0.442 109.409 108.800 0.278 0.000 2.694 1095 G HA2 0.419 4.381 3.960 0.004 0.000 0.290 1095 G HA3 0.419 4.381 3.960 0.004 0.000 0.290 1095 G C -0.872 174.105 174.900 0.128 0.000 1.386 1095 G CA -0.665 44.456 45.100 0.035 0.000 0.872 1095 G HN 0.605 nan 8.290 nan 0.000 0.475 1096 T N -1.621 112.920 114.554 -0.023 0.000 2.848 1096 T HA 0.636 4.988 4.350 0.004 0.000 0.285 1096 T C -1.248 173.446 174.700 -0.010 0.000 0.995 1096 T CA -0.625 61.499 62.100 0.040 0.000 0.970 1096 T CB 1.619 70.529 68.868 0.070 0.000 0.976 1096 T HN 0.794 nan 8.240 nan 0.000 0.441 1097 L N 4.532 125.763 121.223 0.013 0.000 2.333 1097 L HA 0.656 4.998 4.340 0.004 0.000 0.280 1097 L C -0.636 176.236 176.870 0.004 0.000 1.004 1097 L CA -0.876 53.964 54.840 -0.000 0.000 0.820 1097 L CB 1.305 43.366 42.059 0.004 0.000 1.247 1097 L HN 0.846 nan 8.230 nan 0.000 0.416 1105 I N 2.536 123.127 120.570 0.035 0.000 2.410 1105 I HA 0.216 4.389 4.170 0.004 0.000 0.286 1105 I C 0.516 176.695 176.117 0.103 0.000 1.009 1105 I CA -0.507 60.825 61.300 0.054 0.000 1.111 1105 I CB 1.173 39.193 38.000 0.034 0.000 1.262 1105 I HN 0.565 nan 8.210 nan 0.000 0.443 1106 H N 5.153 124.215 119.070 -0.015 0.000 2.929 1106 H HA 0.194 4.753 4.556 0.004 0.000 0.317 1106 H C -0.762 174.573 175.328 0.011 0.000 1.031 1106 H CA 0.118 56.141 56.048 -0.041 0.000 1.466 1106 H CB 0.911 30.595 29.762 -0.130 0.000 1.482 1106 H HN 0.612 nan 8.280 nan 0.000 0.561 1107 C N 3.511 122.875 119.300 0.107 0.000 2.771 1107 C HA 0.730 5.193 4.460 0.004 0.000 0.333 1107 C C -0.245 174.744 174.990 -0.002 0.000 1.267 1107 C CA -0.451 58.579 59.018 0.020 0.000 1.721 1107 C CB 1.409 29.170 27.740 0.035 0.000 2.222 1107 C HN 0.933 nan 8.230 nan 0.000 0.485 1108 A N 1.081 123.901 122.820 -0.000 0.000 2.318 1108 A HA 0.767 5.089 4.320 0.004 0.000 0.317 1108 A C -1.186 176.398 177.584 -0.001 0.000 1.159 1108 A CA -0.235 51.796 52.037 -0.010 0.000 0.799 1108 A CB 0.733 19.699 19.000 -0.056 0.000 1.194 1108 A HN 0.709 nan 8.150 nan 0.000 0.479 1109 V N 2.763 122.693 119.914 0.027 0.000 2.444 1109 V HA 0.448 4.570 4.120 0.004 0.000 0.294 1109 V C -0.039 176.124 176.094 0.115 0.000 1.022 1109 V CA -0.612 61.719 62.300 0.053 0.000 0.850 1109 V CB 1.553 33.388 31.823 0.019 0.000 0.992 1109 V HN 0.903 nan 8.190 nan 0.000 0.426 1110 K N 2.738 123.197 120.400 0.098 0.000 2.307 1110 K HA 0.518 4.840 4.320 0.004 0.000 0.263 1110 K C -0.239 176.441 176.600 0.133 0.000 0.973 1110 K CA -0.215 56.140 56.287 0.114 0.000 0.846 1110 K CB 1.478 34.030 32.500 0.087 0.000 1.100 1110 K HN 0.670 nan 8.250 nan 0.000 0.438 1111 S N 5.977 121.789 115.700 0.187 0.000 2.399 1111 S HA 0.263 4.735 4.470 0.004 0.000 0.301 1111 S C -0.044 174.598 174.600 0.070 0.000 1.093 1111 S CA -0.781 57.512 58.200 0.155 0.000 1.077 1111 S CB -0.002 63.369 63.200 0.285 0.000 0.980 1111 S HN 0.618 nan 8.310 nan 0.000 0.494 1112 L N 6.057 127.269 121.223 -0.018 0.000 2.404 1112 L HA 0.222 4.565 4.340 0.004 0.000 0.277 1112 L C 0.966 177.789 176.870 -0.078 0.000 1.184 1112 L CA -0.263 54.540 54.840 -0.062 0.000 1.013 1112 L CB -0.410 41.549 42.059 -0.166 0.000 1.318 1112 L HN 0.730 nan 8.230 nan 0.000 0.435 1113 N N 1.197 119.884 118.700 -0.021 0.000 2.550 1113 N HA -0.026 4.717 4.740 0.004 0.000 0.186 1113 N C 1.193 176.680 175.510 -0.038 0.000 1.110 1113 N CA 0.508 53.537 53.050 -0.035 0.000 0.912 1113 N CB 0.197 38.669 38.487 -0.025 0.000 0.968 1113 N HN 0.432 nan 8.380 nan 0.000 0.448 1114 R N 0.072 120.565 120.500 -0.012 0.000 2.432 1114 R HA 0.224 4.566 4.340 0.004 0.000 0.260 1114 R C -0.427 175.845 176.300 -0.046 0.000 0.935 1114 R CA -0.205 55.901 56.100 0.009 0.000 1.080 1114 R CB 0.406 30.791 30.300 0.141 0.000 1.155 1114 R HN 0.132 nan 8.270 nan 0.000 0.531 1115 I N 0.745 121.249 120.570 -0.110 0.000 2.379 1115 I HA -0.006 4.166 4.170 0.004 0.000 0.290 1115 I C 0.987 177.040 176.117 -0.107 0.000 1.063 1115 I CA 0.654 61.871 61.300 -0.139 0.000 1.351 1115 I CB 1.726 39.570 38.000 -0.260 0.000 1.410 1115 I HN -0.009 nan 8.210 nan 0.000 0.505 1116 T N 2.805 117.316 114.554 -0.070 0.000 3.221 1116 T HA 0.120 4.472 4.350 0.004 0.000 0.250 1116 T C 0.515 175.191 174.700 -0.039 0.000 0.988 1116 T CA -0.158 61.911 62.100 -0.052 0.000 1.163 1116 T CB 0.121 68.971 68.868 -0.031 0.000 1.098 1116 T HN 0.443 nan 8.240 nan 0.000 0.422 1117 D N 0.995 121.377 120.400 -0.029 0.000 2.378 1117 D HA 0.091 4.733 4.640 0.004 0.000 0.238 1117 D C 1.088 177.378 176.300 -0.016 0.000 1.180 1117 D CA -0.036 53.955 54.000 -0.016 0.000 0.895 1117 D CB 1.232 42.027 40.800 -0.008 0.000 1.192 1117 D HN -0.040 nan 8.370 nan 0.000 0.438 1118 I N 1.927 122.495 120.570 -0.004 0.000 2.252 1118 I HA -0.111 4.062 4.170 0.004 0.000 0.245 1118 I C 2.239 178.362 176.117 0.010 0.000 1.102 1118 I CA 1.511 62.812 61.300 0.003 0.000 1.385 1118 I CB -0.499 37.505 38.000 0.007 0.000 1.064 1118 I HN 0.567 nan 8.210 nan 0.000 0.414 1119 G N -0.346 108.459 108.800 0.008 0.000 2.446 1119 G HA2 -0.284 3.678 3.960 0.004 0.000 0.217 1119 G HA3 -0.284 3.678 3.960 0.004 0.000 0.217 1119 G C 1.560 176.470 174.900 0.018 0.000 1.168 1119 G CA 1.019 46.127 45.100 0.013 0.000 0.771 1119 G HN 0.489 nan 8.290 nan 0.000 0.551 1120 E N -0.236 119.968 120.200 0.008 0.000 2.058 1120 E HA -0.101 4.251 4.350 0.004 0.000 0.194 1120 E C 2.754 179.374 176.600 0.034 0.000 0.997 1120 E CA 1.126 57.530 56.400 0.006 0.000 0.801 1120 E CB -0.210 29.474 29.700 -0.025 0.000 0.746 1120 E HN 0.272 nan 8.360 nan 0.000 0.450 1121 V N 1.011 120.935 119.914 0.016 0.000 2.392 1121 V HA -0.275 3.847 4.120 0.004 0.000 0.249 1121 V C 2.214 178.397 176.094 0.148 0.000 1.059 1121 V CA 1.970 64.308 62.300 0.062 0.000 1.051 1121 V CB -0.418 31.415 31.823 0.017 0.000 0.658 1121 V HN 0.217 nan 8.190 nan 0.000 0.455 1122 S N -0.788 114.961 115.700 0.082 0.000 2.383 1122 S HA -0.239 4.234 4.470 0.004 0.000 0.227 1122 S C 1.965 176.601 174.600 0.060 0.000 1.026 1122 S CA 1.365 59.605 58.200 0.066 0.000 0.981 1122 S CB -0.290 62.933 63.200 0.038 0.000 0.818 1122 S HN 0.667 nan 8.310 nan 0.000 0.472 1123 Q N 0.028 119.865 119.800 0.062 0.000 2.096 1123 Q HA -0.141 4.202 4.340 0.004 0.000 0.204 1123 Q C 1.936 177.971 176.000 0.058 0.000 0.982 1123 Q CA 1.640 57.471 55.803 0.047 0.000 0.850 1123 Q CB -0.362 28.400 28.738 0.040 0.000 0.901 1123 Q HN 0.631 nan 8.270 nan 0.000 0.422 1124 F N 0.889 120.808 119.950 -0.052 0.000 2.134 1124 F HA -0.239 4.290 4.527 0.004 0.000 0.299 1124 F C 1.656 177.419 175.800 -0.062 0.000 1.097 1124 F CA 0.933 58.893 58.000 -0.067 0.000 1.264 1124 F CB -0.112 38.846 39.000 -0.070 0.000 1.001 1124 F HN 0.002 nan 8.300 nan 0.000 0.479 1125 L N 0.579 121.746 121.223 -0.094 0.000 2.017 1125 L HA -0.189 4.154 4.340 0.004 0.000 0.208 1125 L C 2.557 179.309 176.870 -0.196 0.000 1.073 1125 L CA 2.316 57.037 54.840 -0.199 0.000 0.745 1125 L CB -1.722 40.321 42.059 -0.026 0.000 0.894 1125 L HN 0.200 nan 8.230 nan 0.000 0.432 1126 T N -1.334 113.158 114.554 -0.102 0.000 2.746 1126 T HA -0.221 4.131 4.350 0.004 0.000 0.267 1126 T C 1.791 176.432 174.700 -0.098 0.000 1.039 1126 T CA 1.402 63.459 62.100 -0.072 0.000 1.142 1126 T CB -0.074 68.779 68.868 -0.025 0.000 0.866 1126 T HN 0.371 nan 8.240 nan 0.000 0.444 1127 E N 0.703 120.827 120.200 -0.126 0.000 2.085 1127 E HA -0.119 4.233 4.350 0.004 0.000 0.194 1127 E C 2.440 178.907 176.600 -0.222 0.000 0.994 1127 E CA 1.330 57.644 56.400 -0.144 0.000 0.801 1127 E CB -0.589 29.030 29.700 -0.135 0.000 0.743 1127 E HN 0.487 nan 8.360 nan 0.000 0.453 1128 G N 1.285 109.867 108.800 -0.363 0.000 2.446 1128 G HA2 -0.269 3.694 3.960 0.004 0.000 0.217 1128 G HA3 -0.269 3.694 3.960 0.004 0.000 0.217 1128 G C 1.581 176.332 174.900 -0.249 0.000 1.168 1128 G CA 1.280 46.149 45.100 -0.385 0.000 0.771 1128 G HN 0.328 nan 8.290 nan 0.000 0.551 1129 I N 0.489 120.934 120.570 -0.207 0.000 2.226 1129 I HA -0.128 4.044 4.170 0.004 0.000 0.245 1129 I C 2.662 178.776 176.117 -0.005 0.000 1.100 1129 I CA 0.806 62.023 61.300 -0.139 0.000 1.374 1129 I CB -0.357 37.602 38.000 -0.069 0.000 1.057 1129 I HN 0.143 nan 8.210 nan 0.000 0.413 1130 I N 0.387 120.957 120.570 -0.000 0.000 2.179 1130 I HA -0.263 3.910 4.170 0.004 0.000 0.242 1130 I C 2.515 178.706 176.117 0.123 0.000 1.088 1130 I CA 1.300 62.652 61.300 0.086 0.000 1.357 1130 I CB -0.261 37.785 38.000 0.076 0.000 1.051 1130 I HN 0.242 nan 8.210 nan 0.000 0.409 1131 M N 0.203 119.773 119.600 -0.050 0.000 2.349 1131 M HA -0.106 4.376 4.480 0.004 0.000 0.266 1131 M C 2.136 178.429 176.300 -0.012 0.000 1.076 1131 M CA 1.263 56.452 55.300 -0.185 0.000 1.126 1131 M CB -1.106 31.294 32.600 -0.333 0.000 1.392 1131 M HN 0.030 nan 8.290 nan 0.000 0.440 1132 K N 1.260 121.662 120.400 0.004 0.000 2.211 1132 K HA -0.152 4.170 4.320 0.004 0.000 0.204 1132 K C 0.937 177.632 176.600 0.157 0.000 1.047 1132 K CA 1.392 57.705 56.287 0.043 0.000 0.935 1132 K CB -0.153 32.341 32.500 -0.010 0.000 0.728 1132 K HN 0.185 nan 8.250 nan 0.000 0.452 1133 D N -0.688 119.854 120.400 0.236 0.000 2.340 1133 D HA 0.003 4.646 4.640 0.004 0.000 0.220 1133 D C -0.403 176.077 176.300 0.300 0.000 1.039 1133 D CA 0.155 54.295 54.000 0.233 0.000 0.866 1133 D CB -0.056 40.858 40.800 0.189 0.000 0.913 1133 D HN 0.043 nan 8.370 nan 0.000 0.523 1134 F N 1.113 121.133 119.950 0.116 0.000 2.538 1134 F HA 0.206 4.735 4.527 0.004 0.000 0.371 1134 F C 0.996 176.871 175.800 0.124 0.000 1.087 1134 F CA -0.242 57.883 58.000 0.209 0.000 1.250 1134 F CB 0.931 40.054 39.000 0.204 0.000 1.110 1134 F HN -0.372 nan 8.300 nan 0.000 0.570 1135 S N 3.998 119.801 115.700 0.172 0.000 2.614 1135 S HA 0.337 4.810 4.470 0.004 0.000 0.259 1135 S C -1.689 172.685 174.600 -0.377 0.000 1.118 1135 S CA -0.449 57.725 58.200 -0.044 0.000 1.065 1135 S CB 0.111 63.316 63.200 0.009 0.000 1.121 1135 S HN 0.811 nan 8.310 nan 0.000 0.458 1136 H N 4.939 123.714 119.070 -0.491 0.000 3.085 1136 H HA 0.361 4.919 4.556 0.004 0.000 0.356 1136 H C -2.577 172.594 175.328 -0.263 0.000 1.178 1136 H CA -1.242 54.480 56.048 -0.543 0.000 1.214 1136 H CB 2.399 31.566 29.762 -0.992 0.000 1.881 1136 H HN 0.392 nan 8.280 nan 0.000 0.538 1137 P HA -0.061 nan 4.420 nan 0.000 0.221 1137 P C -0.036 177.250 177.300 -0.024 0.000 1.145 1137 P CA 1.119 64.082 63.100 -0.228 0.000 0.795 1137 P CB 0.314 31.834 31.700 -0.300 0.000 0.775 1138 N N -0.987 117.853 118.700 0.234 0.000 2.273 1138 N HA 0.186 4.928 4.740 0.004 0.000 0.231 1138 N C -0.828 174.753 175.510 0.118 0.000 1.134 1138 N CA -0.191 52.965 53.050 0.177 0.000 0.856 1138 N CB 0.753 39.349 38.487 0.181 0.000 1.068 1138 N HN -0.086 nan 8.380 nan 0.000 0.510 1139 V N 1.403 121.389 119.914 0.119 0.000 2.588 1139 V HA 0.268 4.390 4.120 0.004 0.000 0.304 1139 V C -0.358 175.825 176.094 0.148 0.000 1.042 1139 V CA -1.046 61.334 62.300 0.132 0.000 0.877 1139 V CB 2.191 34.084 31.823 0.116 0.000 0.996 1139 V HN 0.099 nan 8.190 nan 0.000 0.425 1140 L N 4.482 125.820 121.223 0.191 0.000 2.499 1140 L HA 0.240 4.583 4.340 0.004 0.000 0.273 1140 L C 0.688 177.575 176.870 0.028 0.000 1.195 1140 L CA 1.159 56.036 54.840 0.062 0.000 0.882 1140 L CB 0.889 42.949 42.059 0.001 0.000 1.133 1140 L HN 0.782 nan 8.230 nan 0.000 0.483 1141 S N 4.652 120.342 115.700 -0.016 0.000 2.601 1141 S HA 0.446 4.918 4.470 0.004 0.000 0.271 1141 S C -0.523 174.029 174.600 -0.080 0.000 1.305 1141 S CA -0.569 57.616 58.200 -0.025 0.000 1.022 1141 S CB 1.185 64.373 63.200 -0.020 0.000 0.940 1141 S HN 0.561 nan 8.310 nan 0.000 0.525 1142 L N 3.336 124.510 121.223 -0.082 0.000 2.262 1142 L HA 0.399 4.742 4.340 0.004 0.000 0.288 1142 L C 0.414 177.244 176.870 -0.066 0.000 1.035 1142 L CA 0.099 54.875 54.840 -0.106 0.000 0.820 1142 L CB 0.123 42.095 42.059 -0.145 0.000 1.204 1142 L HN 0.736 nan 8.230 nan 0.000 0.424 1143 L N 4.524 125.713 121.223 -0.057 0.000 2.131 1143 L HA 0.348 4.690 4.340 0.004 0.000 0.206 1143 L C 1.147 177.992 176.870 -0.042 0.000 1.087 1143 L CA 0.772 55.590 54.840 -0.037 0.000 0.767 1143 L CB -0.574 41.469 42.059 -0.027 0.000 0.917 1143 L HN 0.841 nan 8.230 nan 0.000 0.441 1144 G N -0.196 108.570 108.800 -0.057 0.000 2.317 1144 G HA2 0.362 4.325 3.960 0.004 0.000 0.293 1144 G HA3 0.362 4.325 3.960 0.004 0.000 0.293 1144 G C -1.795 173.074 174.900 -0.053 0.000 1.287 1144 G CA -0.463 44.596 45.100 -0.069 0.000 0.850 1144 G HN 0.042 nan 8.290 nan 0.000 0.515 1145 I N -2.876 117.669 120.570 -0.041 0.000 2.828 1145 I HA 0.822 4.995 4.170 0.004 0.000 0.302 1145 I C -0.848 175.316 176.117 0.078 0.000 1.101 1145 I CA -1.165 60.164 61.300 0.048 0.000 1.031 1145 I CB 2.145 40.128 38.000 -0.028 0.000 1.231 1145 I HN 0.769 nan 8.210 nan 0.000 0.427 1146 C N 6.113 125.490 119.300 0.128 0.000 2.397 1146 C HA 0.741 5.204 4.460 0.004 0.000 0.325 1146 C C -0.683 174.358 174.990 0.084 0.000 1.201 1146 C CA -0.333 58.733 59.018 0.080 0.000 1.377 1146 C CB 0.612 28.379 27.740 0.045 0.000 2.038 1146 C HN 0.749 nan 8.230 nan 0.000 0.457 1147 L N 7.088 128.352 121.223 0.069 0.000 2.309 1147 L HA 0.707 5.049 4.340 0.004 0.000 0.282 1147 L C 0.419 177.300 176.870 0.017 0.000 1.036 1147 L CA -0.079 54.784 54.840 0.039 0.000 0.806 1147 L CB 1.022 43.112 42.059 0.053 0.000 1.220 1147 L HN 0.662 nan 8.230 nan 0.000 0.429 1148 R N 0.561 121.059 120.500 -0.004 0.000 2.670 1148 R HA 0.431 4.774 4.340 0.004 0.000 0.289 1148 R C 0.489 176.785 176.300 -0.007 0.000 0.965 1148 R CA -0.342 55.755 56.100 -0.005 0.000 0.899 1148 R CB 1.393 31.686 30.300 -0.013 0.000 1.173 1148 R HN 0.662 nan 8.270 nan 0.000 0.456 1149 S N 0.481 116.188 115.700 0.012 0.000 2.447 1149 S HA -0.146 4.327 4.470 0.004 0.000 0.233 1149 S C 0.245 174.892 174.600 0.078 0.000 1.006 1149 S CA 0.595 58.820 58.200 0.042 0.000 0.957 1149 S CB -0.408 62.821 63.200 0.047 0.000 0.773 1149 S HN 0.767 nan 8.310 nan 0.000 0.507 1150 E N -0.335 119.867 120.200 0.005 0.000 2.293 1150 E HA 0.651 5.003 4.350 0.004 0.000 0.270 1150 E C 0.032 176.523 176.600 -0.181 0.000 0.879 1150 E CA -0.949 55.372 56.400 -0.133 0.000 0.756 1150 E CB 1.538 31.198 29.700 -0.067 0.000 1.208 1150 E HN 0.431 nan 8.360 nan 0.000 0.428 1151 G N 1.145 109.783 108.800 -0.271 0.000 2.699 1151 G HA2 -0.150 3.812 3.960 0.004 0.000 0.686 1151 G HA3 -0.150 3.812 3.960 0.004 0.000 0.686 1151 G C -0.331 174.481 174.900 -0.146 0.000 1.301 1151 G CA -0.380 44.604 45.100 -0.195 0.000 0.816 1151 G HN 0.557 nan 8.290 nan 0.000 0.595 1152 S N 1.626 117.256 115.700 -0.116 0.000 2.600 1152 S HA 0.622 5.094 4.470 0.004 0.000 0.265 1152 S C -1.694 172.826 174.600 -0.134 0.000 1.325 1152 S CA -0.356 57.768 58.200 -0.126 0.000 1.002 1152 S CB 0.852 63.988 63.200 -0.107 0.000 0.921 1152 S HN 0.654 nan 8.310 nan 0.000 0.554 1153 P HA 0.209 nan 4.420 nan 0.000 0.269 1153 P C -1.107 176.090 177.300 -0.171 0.000 1.215 1153 P CA 0.022 62.945 63.100 -0.295 0.000 0.780 1153 P CB 0.300 31.526 31.700 -0.790 0.000 0.898 1154 L N 1.374 122.586 121.223 -0.019 0.000 2.346 1154 L HA 0.509 4.851 4.340 0.004 0.000 0.276 1154 L C -0.425 176.546 176.870 0.168 0.000 1.006 1154 L CA -1.146 53.738 54.840 0.072 0.000 0.817 1154 L CB 1.987 44.089 42.059 0.071 0.000 1.272 1154 L HN 0.029 nan 8.230 nan 0.000 0.421 1155 V N 3.555 123.554 119.914 0.142 0.000 2.398 1155 V HA 0.381 4.503 4.120 0.004 0.000 0.286 1155 V C -0.029 176.095 176.094 0.050 0.000 1.026 1155 V CA -0.638 61.736 62.300 0.124 0.000 0.868 1155 V CB 1.984 33.872 31.823 0.109 0.000 0.982 1155 V HN 0.422 nan 8.190 nan 0.000 0.443 1156 V N 7.013 126.938 119.914 0.017 0.000 2.398 1156 V HA 0.584 4.706 4.120 0.004 0.000 0.286 1156 V C -0.194 175.882 176.094 -0.031 0.000 1.026 1156 V CA -0.359 61.938 62.300 -0.004 0.000 0.868 1156 V CB 1.412 33.232 31.823 -0.005 0.000 0.982 1156 V HN 0.655 nan 8.190 nan 0.000 0.443 1157 L N 6.201 127.403 121.223 -0.035 0.000 2.393 1157 L HA 0.600 4.942 4.340 0.004 0.000 0.260 1157 L C -2.651 174.187 176.870 -0.053 0.000 1.002 1157 L CA -2.061 52.743 54.840 -0.059 0.000 0.818 1157 L CB 3.238 45.251 42.059 -0.078 0.000 1.369 1157 L HN 0.384 nan 8.230 nan 0.000 0.412 1158 P HA 0.014 nan 4.420 nan 0.000 0.271 1158 P C -1.251 176.002 177.300 -0.079 0.000 1.218 1158 P CA -0.073 62.994 63.100 -0.055 0.000 0.780 1158 P CB 0.319 31.982 31.700 -0.061 0.000 0.901 1159 Y N 3.071 123.231 120.300 -0.234 0.000 2.442 1159 Y HA 0.201 4.753 4.550 0.004 0.000 0.330 1159 Y C 0.238 175.985 175.900 -0.256 0.000 1.129 1159 Y CA 0.292 58.191 58.100 -0.334 0.000 1.365 1159 Y CB 0.440 38.523 38.460 -0.629 0.000 1.233 1159 Y HN 0.202 nan 8.280 nan 0.000 0.529 1160 M N 7.701 126.789 119.600 -0.854 0.000 2.131 1160 M HA 0.150 4.632 4.480 0.004 0.000 0.345 1160 M C 1.020 176.822 176.300 -0.830 0.000 1.060 1160 M CA -0.340 54.578 55.300 -0.638 0.000 1.011 1160 M CB 1.198 33.532 32.600 -0.442 0.000 1.328 1160 M HN 0.833 nan 8.290 nan 0.000 0.396 1161 K N 1.784 121.793 120.400 -0.652 0.000 2.089 1161 K HA -0.190 4.133 4.320 0.004 0.000 0.210 1161 K C 0.863 177.150 176.600 -0.523 0.000 1.048 1161 K CA 1.714 57.681 56.287 -0.532 0.000 0.926 1161 K CB 0.236 32.439 32.500 -0.495 0.000 0.714 1161 K HN 0.597 nan 8.250 nan 0.000 0.448 1162 H N -0.561 118.333 119.070 -0.293 0.000 2.520 1162 H HA 0.175 4.734 4.556 0.004 0.000 0.284 1162 H C 1.059 176.307 175.328 -0.133 0.000 1.037 1162 H CA 0.514 56.456 56.048 -0.177 0.000 1.168 1162 H CB 0.347 29.888 29.762 -0.369 0.000 1.497 1162 H HN 0.514 nan 8.280 nan 0.000 0.547 1163 G N 2.061 110.766 108.800 -0.159 0.000 2.569 1163 G HA2 -0.276 3.687 3.960 0.004 0.000 0.259 1163 G HA3 -0.276 3.687 3.960 0.004 0.000 0.259 1163 G C -0.033 174.788 174.900 -0.132 0.000 1.263 1163 G CA 0.043 45.056 45.100 -0.146 0.000 0.928 1163 G HN 0.525 nan 8.290 nan 0.000 0.572 1164 D N 0.322 120.667 120.400 -0.091 0.000 2.341 1164 D HA 0.296 4.938 4.640 0.004 0.000 0.245 1164 D C 1.619 177.896 176.300 -0.039 0.000 1.106 1164 D CA -0.261 53.685 54.000 -0.091 0.000 0.905 1164 D CB 1.692 42.440 40.800 -0.086 0.000 1.202 1164 D HN 0.472 nan 8.370 nan 0.000 0.426 1165 L N 2.456 123.631 121.223 -0.080 0.000 2.083 1165 L HA -0.131 4.211 4.340 0.004 0.000 0.209 1165 L C 2.680 179.576 176.870 0.043 0.000 1.083 1165 L CA 1.559 56.352 54.840 -0.079 0.000 0.752 1165 L CB -0.833 41.140 42.059 -0.143 0.000 0.899 1165 L HN 0.597 nan 8.230 nan 0.000 0.433 1166 R N -0.445 120.074 120.500 0.031 0.000 2.070 1166 R HA -0.196 4.146 4.340 0.004 0.000 0.233 1166 R C 2.117 178.462 176.300 0.075 0.000 1.137 1166 R CA 2.158 58.291 56.100 0.056 0.000 0.945 1166 R CB -0.380 29.935 30.300 0.025 0.000 0.845 1166 R HN 0.510 nan 8.270 nan 0.000 0.430 1167 N N -0.572 118.171 118.700 0.072 0.000 2.149 1167 N HA -0.206 4.537 4.740 0.004 0.000 0.188 1167 N C 1.512 177.096 175.510 0.123 0.000 1.019 1167 N CA 1.464 54.568 53.050 0.088 0.000 0.857 1167 N CB -0.216 38.319 38.487 0.080 0.000 0.997 1167 N HN 0.157 nan 8.380 nan 0.000 0.426 1168 F N 2.154 122.114 119.950 0.016 0.000 2.102 1168 F HA -0.077 4.454 4.527 0.007 0.000 0.298 1168 F C 1.951 177.790 175.800 0.064 0.000 1.105 1168 F CA 1.136 59.159 58.000 0.037 0.000 1.239 1168 F CB -0.318 38.653 39.000 -0.049 0.000 0.991 1168 F HN 0.018 nan 8.300 nan 0.000 0.474 1169 I N -1.492 119.139 120.570 0.102 0.000 2.830 1169 I HA -0.065 4.108 4.170 0.004 0.000 0.263 1169 I C 1.857 177.947 176.117 -0.044 0.000 1.230 1169 I CA 1.051 62.369 61.300 0.029 0.000 1.480 1169 I CB -0.542 37.550 38.000 0.152 0.000 1.095 1169 I HN 0.090 nan 8.210 nan 0.000 0.455 1170 R N 1.133 121.620 120.500 -0.022 0.000 2.276 1170 R HA 0.127 4.469 4.340 0.004 0.000 0.196 1170 R C 0.588 176.861 176.300 -0.045 0.000 0.961 1170 R CA -0.165 55.922 56.100 -0.021 0.000 1.024 1170 R CB -0.242 30.070 30.300 0.021 0.000 0.940 1170 R HN 0.333 nan 8.270 nan 0.000 0.480 1171 N N 2.193 120.843 118.700 -0.083 0.000 2.475 1171 N HA -0.085 4.658 4.740 0.004 0.000 0.267 1171 N C 0.664 176.108 175.510 -0.111 0.000 1.169 1171 N CA 0.216 53.219 53.050 -0.077 0.000 0.947 1171 N CB 1.175 39.628 38.487 -0.057 0.000 1.061 1171 N HN 0.271 nan 8.380 nan 0.000 0.466 1172 E N 0.998 121.150 120.200 -0.079 0.000 2.427 1172 E HA -0.116 4.236 4.350 0.004 0.000 0.196 1172 E C 0.932 177.460 176.600 -0.119 0.000 1.028 1172 E CA 1.058 57.406 56.400 -0.087 0.000 0.864 1172 E CB -0.195 29.470 29.700 -0.058 0.000 0.813 1172 E HN 0.663 nan 8.360 nan 0.000 0.514 1173 T N -2.459 111.998 114.554 -0.162 0.000 3.085 1173 T HA -0.014 4.339 4.350 0.004 0.000 0.263 1173 T C 0.198 174.635 174.700 -0.438 0.000 1.127 1173 T CA 0.375 62.309 62.100 -0.278 0.000 1.103 1173 T CB -0.370 68.303 68.868 -0.325 0.000 0.921 1173 T HN 0.257 nan 8.240 nan 0.000 0.510 1174 H N 0.357 119.326 119.070 -0.168 0.000 2.679 1174 H HA 0.640 5.198 4.556 0.004 0.000 0.367 1174 H C -0.703 174.499 175.328 -0.210 0.000 1.162 1174 H CA -1.018 54.904 56.048 -0.210 0.000 1.181 1174 H CB 1.430 30.915 29.762 -0.462 0.000 1.693 1174 H HN 0.060 nan 8.280 nan 0.000 0.538 1175 N N 2.512 121.204 118.700 -0.014 0.000 2.765 1175 N HA 0.175 4.918 4.740 0.004 0.000 0.277 1175 N C -2.795 172.679 175.510 -0.059 0.000 1.750 1175 N CA -1.741 51.271 53.050 -0.063 0.000 0.827 1175 N CB 0.469 38.917 38.487 -0.065 0.000 1.200 1175 N HN 0.375 nan 8.380 nan 0.000 0.494 1176 P HA 0.076 nan 4.420 nan 0.000 0.266 1176 P C 0.184 177.412 177.300 -0.119 0.000 1.195 1176 P CA 0.066 63.132 63.100 -0.055 0.000 0.768 1176 P CB 0.423 32.163 31.700 0.066 0.000 0.838 1177 T N -1.623 112.841 114.554 -0.150 0.000 2.788 1177 T HA 0.121 4.474 4.350 0.004 0.000 0.287 1177 T C 1.494 176.081 174.700 -0.187 0.000 1.007 1177 T CA -0.726 61.286 62.100 -0.146 0.000 1.005 1177 T CB 0.209 69.004 68.868 -0.122 0.000 1.012 1177 T HN 0.068 nan 8.240 nan 0.000 0.530 1178 V N 1.255 121.070 119.914 -0.165 0.000 2.324 1178 V HA -0.187 3.935 4.120 0.004 0.000 0.250 1178 V C 2.872 178.724 176.094 -0.403 0.000 1.060 1178 V CA 2.353 64.519 62.300 -0.222 0.000 1.042 1178 V CB -0.974 30.781 31.823 -0.114 0.000 0.650 1178 V HN 1.008 nan 8.190 nan 0.000 0.450 1179 K N -0.173 119.961 120.400 -0.444 0.000 2.032 1179 K HA -0.242 4.080 4.320 0.004 0.000 0.209 1179 K C 1.903 178.385 176.600 -0.196 0.000 1.048 1179 K CA 1.998 58.020 56.287 -0.441 0.000 0.927 1179 K CB -0.285 32.028 32.500 -0.312 0.000 0.712 1179 K HN 0.483 nan 8.250 nan 0.000 0.441 1180 D N 0.966 121.205 120.400 -0.269 0.000 2.123 1180 D HA -0.193 4.450 4.640 0.004 0.000 0.196 1180 D C 2.036 177.857 176.300 -0.799 0.000 0.992 1180 D CA 1.154 54.860 54.000 -0.490 0.000 0.833 1180 D CB -0.227 40.247 40.800 -0.544 0.000 0.954 1180 D HN 0.262 nan 8.370 nan 0.000 0.455 1181 L N 0.455 121.386 121.223 -0.486 0.000 2.017 1181 L HA -0.139 4.203 4.340 0.004 0.000 0.208 1181 L C 2.623 179.412 176.870 -0.134 0.000 1.073 1181 L CA 0.742 55.414 54.840 -0.280 0.000 0.745 1181 L CB -0.361 41.633 42.059 -0.109 0.000 0.894 1181 L HN 0.004 nan 8.230 nan 0.000 0.432 1182 I N -0.082 120.414 120.570 -0.125 0.000 2.208 1182 I HA -0.232 3.940 4.170 0.004 0.000 0.245 1182 I C 2.663 178.786 176.117 0.010 0.000 1.097 1182 I CA 1.481 62.777 61.300 -0.007 0.000 1.363 1182 I CB -0.936 37.062 38.000 -0.003 0.000 1.051 1182 I HN 0.296 nan 8.210 nan 0.000 0.413 1183 G N 0.726 109.506 108.800 -0.032 0.000 2.446 1183 G HA2 -0.247 3.715 3.960 0.004 0.000 0.217 1183 G HA3 -0.247 3.715 3.960 0.004 0.000 0.217 1183 G C 1.642 176.496 174.900 -0.078 0.000 1.168 1183 G CA 0.652 45.571 45.100 -0.302 0.000 0.771 1183 G HN 0.325 nan 8.290 nan 0.000 0.551 1184 F N 1.258 121.193 119.950 -0.024 0.000 2.095 1184 F HA -0.087 4.441 4.527 0.003 0.000 0.298 1184 F C 3.060 178.882 175.800 0.036 0.000 1.104 1184 F CA 0.381 58.382 58.000 0.000 0.000 1.232 1184 F CB -0.404 38.608 39.000 0.020 0.000 0.987 1184 F HN 0.251 nan 8.300 nan 0.000 0.475 1185 G N 0.456 109.401 108.800 0.242 0.000 2.440 1185 G HA2 -0.300 3.662 3.960 0.004 0.000 0.218 1185 G HA3 -0.300 3.662 3.960 0.004 0.000 0.218 1185 G C 1.492 176.581 174.900 0.315 0.000 1.154 1185 G CA 0.959 46.202 45.100 0.240 0.000 0.767 1185 G HN 0.244 nan 8.290 nan 0.000 0.552 1186 L N 0.488 121.795 121.223 0.141 0.000 2.046 1186 L HA -0.056 4.286 4.340 0.004 0.000 0.208 1186 L C 2.883 179.783 176.870 0.049 0.000 1.077 1186 L CA 2.003 56.873 54.840 0.051 0.000 0.747 1186 L CB -0.766 41.185 42.059 -0.179 0.000 0.896 1186 L HN 0.350 nan 8.230 nan 0.000 0.432 1187 Q N -1.318 118.514 119.800 0.053 0.000 2.084 1187 Q HA -0.168 4.174 4.340 0.004 0.000 0.202 1187 Q C 2.166 178.215 176.000 0.083 0.000 0.978 1187 Q CA 1.837 57.680 55.803 0.066 0.000 0.844 1187 Q CB -0.251 28.538 28.738 0.086 0.000 0.898 1187 Q HN 0.469 nan 8.270 nan 0.000 0.426 1188 V N 1.050 121.055 119.914 0.151 0.000 2.295 1188 V HA -0.287 3.835 4.120 0.004 0.000 0.246 1188 V C 2.314 178.428 176.094 0.032 0.000 1.049 1188 V CA 1.817 64.211 62.300 0.156 0.000 1.024 1188 V CB -1.050 30.976 31.823 0.338 0.000 0.648 1188 V HN 0.395 nan 8.190 nan 0.000 0.447 1189 A N -0.236 122.613 122.820 0.049 0.000 1.940 1189 A HA -0.270 4.053 4.320 0.004 0.000 0.219 1189 A C 2.303 179.772 177.584 -0.191 0.000 1.176 1189 A CA 2.137 54.026 52.037 -0.245 0.000 0.631 1189 A CB -0.449 18.445 19.000 -0.175 0.000 0.814 1189 A HN 0.567 nan 8.150 nan 0.000 0.446 1190 K N -1.008 119.343 120.400 -0.082 0.000 2.057 1190 K HA -0.081 4.242 4.320 0.004 0.000 0.206 1190 K C 2.166 178.599 176.600 -0.277 0.000 1.050 1190 K CA 1.087 57.337 56.287 -0.061 0.000 0.935 1190 K CB -0.439 32.117 32.500 0.092 0.000 0.715 1190 K HN 0.468 nan 8.250 nan 0.000 0.439 1191 G N 1.046 109.692 108.800 -0.257 0.000 2.408 1191 G HA2 -0.210 3.752 3.960 0.004 0.000 0.217 1191 G HA3 -0.210 3.752 3.960 0.004 0.000 0.217 1191 G C 1.459 176.137 174.900 -0.369 0.000 1.150 1191 G CA 0.506 45.382 45.100 -0.373 0.000 0.776 1191 G HN 0.060 nan 8.290 nan 0.000 0.542 1192 M N 0.489 119.805 119.600 -0.473 0.000 2.254 1192 M HA 0.081 4.563 4.480 0.004 0.000 0.265 1192 M C 2.273 178.142 176.300 -0.718 0.000 1.066 1192 M CA 0.933 55.746 55.300 -0.811 0.000 1.123 1192 M CB -0.776 30.831 32.600 -1.654 0.000 1.388 1192 M HN 0.309 nan 8.290 nan 0.000 0.425 1193 K N -0.230 119.902 120.400 -0.447 0.000 2.026 1193 K HA -0.234 4.088 4.320 0.004 0.000 0.208 1193 K C 2.129 178.646 176.600 -0.138 0.000 1.048 1193 K CA 1.509 57.707 56.287 -0.148 0.000 0.929 1193 K CB -0.360 32.112 32.500 -0.045 0.000 0.713 1193 K HN 0.225 nan 8.250 nan 0.000 0.439 1194 Y N 1.655 121.753 120.300 -0.336 0.000 2.070 1194 Y HA -0.269 4.283 4.550 0.004 0.000 0.280 1194 Y C 1.946 177.710 175.900 -0.227 0.000 1.148 1194 Y CA 1.975 59.890 58.100 -0.307 0.000 1.125 1194 Y CB -0.307 37.838 38.460 -0.525 0.000 0.975 1194 Y HN 0.014 nan 8.280 nan 0.000 0.492 1195 L N -0.215 120.897 121.223 -0.186 0.000 2.043 1195 L HA -0.296 4.047 4.340 0.004 0.000 0.212 1195 L C 2.799 179.623 176.870 -0.077 0.000 1.075 1195 L CA 1.286 56.043 54.840 -0.139 0.000 0.752 1195 L CB -1.112 40.909 42.059 -0.064 0.000 0.891 1195 L HN 0.392 nan 8.230 nan 0.000 0.432 1196 A N 0.189 122.962 122.820 -0.079 0.000 1.933 1196 A HA -0.236 4.086 4.320 0.004 0.000 0.218 1196 A C 2.534 180.095 177.584 -0.038 0.000 1.175 1196 A CA 2.002 54.050 52.037 0.019 0.000 0.628 1196 A CB -0.741 18.342 19.000 0.139 0.000 0.814 1196 A HN 0.546 nan 8.150 nan 0.000 0.444 1197 S N -0.315 115.306 115.700 -0.131 0.000 2.419 1197 S HA -0.128 4.345 4.470 0.004 0.000 0.233 1197 S C 1.486 175.961 174.600 -0.208 0.000 1.016 1197 S CA 1.412 59.513 58.200 -0.165 0.000 0.974 1197 S CB -0.237 62.836 63.200 -0.212 0.000 0.786 1197 S HN 0.502 nan 8.310 nan 0.000 0.492 1198 K N 1.099 121.331 120.400 -0.281 0.000 2.417 1198 K HA 0.199 4.522 4.320 0.004 0.000 0.196 1198 K C -0.056 176.522 176.600 -0.037 0.000 1.023 1198 K CA 0.047 56.181 56.287 -0.255 0.000 1.122 1198 K CB -0.005 32.197 32.500 -0.497 0.000 0.850 1198 K HN 0.485 nan 8.250 nan 0.000 0.521 1199 K N 0.292 120.694 120.400 0.003 0.000 3.129 1199 K HA -0.200 4.122 4.320 0.004 0.000 0.273 1199 K C -0.507 176.162 176.600 0.114 0.000 1.123 1199 K CA 0.421 56.739 56.287 0.052 0.000 0.800 1199 K CB -2.031 30.487 32.500 0.030 0.000 1.238 1199 K HN 0.131 nan 8.250 nan 0.000 0.492 1200 F N 1.119 121.080 119.950 0.017 0.000 2.385 1200 F HA 0.312 4.841 4.527 0.004 0.000 0.360 1200 F C 0.217 176.041 175.800 0.040 0.000 1.122 1200 F CA -0.856 57.178 58.000 0.056 0.000 1.090 1200 F CB 1.056 40.134 39.000 0.129 0.000 1.150 1200 F HN -0.182 nan 8.300 nan 0.000 0.472 1201 V N 7.141 126.842 119.914 -0.355 0.000 2.364 1201 V HA 0.057 4.180 4.120 0.004 0.000 0.272 1201 V C 1.203 177.168 176.094 -0.215 0.000 1.036 1201 V CA -0.325 61.894 62.300 -0.135 0.000 0.880 1201 V CB 0.861 32.644 31.823 -0.066 0.000 0.991 1201 V HN 0.852 nan 8.190 nan 0.000 0.460 1202 H N 5.550 124.641 119.070 0.034 0.000 2.270 1202 H HA -0.066 4.493 4.556 0.004 0.000 0.299 1202 H C 1.615 176.957 175.328 0.024 0.000 1.077 1202 H CA 2.324 58.444 56.048 0.119 0.000 1.294 1202 H CB 0.363 30.220 29.762 0.159 0.000 1.371 1202 H HN 0.733 nan 8.280 nan 0.000 0.491 1203 R N -1.083 119.542 120.500 0.209 0.000 3.749 1203 R HA -0.176 4.166 4.340 0.004 0.000 0.476 1203 R C -0.302 176.048 176.300 0.083 0.000 0.814 1203 R CA 1.314 57.387 56.100 -0.046 0.000 1.494 1203 R CB -1.470 28.537 30.300 -0.488 0.000 2.164 1203 R HN 0.329 nan 8.270 nan 0.000 0.473 1204 D N 0.394 121.053 120.400 0.432 0.000 2.992 1204 D HA 0.182 4.825 4.640 0.004 0.000 0.372 1204 D C -1.111 175.309 176.300 0.201 0.000 1.374 1204 D CA -0.422 53.774 54.000 0.326 0.000 0.769 1204 D CB 0.348 41.322 40.800 0.291 0.000 1.215 1204 D HN 0.007 nan 8.370 nan 0.000 0.473 1205 L N 1.605 122.872 121.223 0.073 0.000 2.410 1205 L HA 0.635 4.977 4.340 0.004 0.000 0.273 1205 L C -0.347 176.531 176.870 0.014 0.000 1.144 1205 L CA 0.318 55.095 54.840 -0.104 0.000 0.863 1205 L CB 0.547 42.630 42.059 0.040 0.000 1.140 1205 L HN 0.255 nan 8.230 nan 0.000 0.463 1206 A N 3.723 126.498 122.820 -0.074 0.000 2.597 1206 A HA 0.657 4.980 4.320 0.004 0.000 0.292 1206 A C 0.390 177.955 177.584 -0.032 0.000 1.057 1206 A CA -0.132 51.824 52.037 -0.136 0.000 0.674 1206 A CB 0.234 18.756 19.000 -0.796 0.000 1.278 1206 A HN 0.979 nan 8.150 nan 0.000 0.416 1207 A N 0.773 123.638 122.820 0.075 0.000 1.978 1207 A HA -0.139 4.184 4.320 0.004 0.000 0.220 1207 A C 1.902 179.468 177.584 -0.030 0.000 1.170 1207 A CA 1.985 54.050 52.037 0.046 0.000 0.636 1207 A CB -0.612 18.449 19.000 0.103 0.000 0.810 1207 A HN 1.133 nan 8.150 nan 0.000 0.448 1208 R N -0.983 119.459 120.500 -0.097 0.000 2.241 1208 R HA -0.015 4.327 4.340 0.004 0.000 0.224 1208 R C 0.287 176.543 176.300 -0.074 0.000 1.101 1208 R CA 1.495 57.532 56.100 -0.106 0.000 0.995 1208 R CB -0.372 29.819 30.300 -0.181 0.000 0.870 1208 R HN 0.320 nan 8.270 nan 0.000 0.463 1209 N N -0.095 118.573 118.700 -0.054 0.000 2.204 1209 N HA 0.136 4.879 4.740 0.004 0.000 0.219 1209 N C -0.979 174.541 175.510 0.018 0.000 1.151 1209 N CA -0.142 52.917 53.050 0.015 0.000 0.867 1209 N CB 0.733 39.276 38.487 0.093 0.000 1.043 1209 N HN 0.142 nan 8.380 nan 0.000 0.516 1210 C N 1.143 120.425 119.300 -0.030 0.000 2.411 1210 C HA 0.607 5.069 4.460 0.004 0.000 0.330 1210 C C 0.159 175.089 174.990 -0.099 0.000 1.224 1210 C CA -0.873 58.120 59.018 -0.041 0.000 1.770 1210 C CB 1.178 28.896 27.740 -0.037 0.000 2.297 1210 C HN 0.163 nan 8.230 nan 0.000 0.507 1211 M N 2.394 121.923 119.600 -0.119 0.000 2.724 1211 M HA 0.685 5.167 4.480 0.004 0.000 0.310 1211 M C -0.938 175.232 176.300 -0.218 0.000 1.217 1211 M CA -0.838 54.358 55.300 -0.174 0.000 0.894 1211 M CB 1.454 33.945 32.600 -0.182 0.000 1.719 1211 M HN 0.516 nan 8.290 nan 0.000 0.479 1212 L N 2.494 123.558 121.223 -0.266 0.000 2.482 1212 L HA 0.417 4.759 4.340 0.004 0.000 0.269 1212 L C -0.757 175.933 176.870 -0.301 0.000 0.967 1212 L CA -0.362 54.280 54.840 -0.331 0.000 0.851 1212 L CB 0.999 42.742 42.059 -0.526 0.000 1.242 1212 L HN 0.753 nan 8.230 nan 0.000 0.404 1213 D N 2.669 122.912 120.400 -0.262 0.000 2.447 1213 D HA 0.069 4.711 4.640 0.004 0.000 0.265 1213 D C 0.833 176.957 176.300 -0.293 0.000 1.250 1213 D CA 0.351 54.199 54.000 -0.254 0.000 1.046 1213 D CB 0.500 41.192 40.800 -0.180 0.000 1.095 1213 D HN 0.711 nan 8.370 nan 0.000 0.555 1214 E N -0.367 119.674 120.200 -0.264 0.000 2.265 1214 E HA -0.209 4.143 4.350 0.004 0.000 0.196 1214 E C 0.984 177.388 176.600 -0.327 0.000 0.996 1214 E CA 0.861 57.083 56.400 -0.297 0.000 0.832 1214 E CB -0.310 29.294 29.700 -0.160 0.000 0.756 1214 E HN 0.420 nan 8.360 nan 0.000 0.491 1215 K N -0.126 120.153 120.400 -0.201 0.000 2.404 1215 K HA 0.112 4.435 4.320 0.004 0.000 0.194 1215 K C -0.571 176.090 176.600 0.102 0.000 1.023 1215 K CA -0.055 56.212 56.287 -0.033 0.000 1.094 1215 K CB -0.043 32.465 32.500 0.014 0.000 0.841 1215 K HN 0.061 nan 8.250 nan 0.000 0.523 1216 F N 0.306 120.248 119.950 -0.014 0.000 3.043 1216 F HA -0.245 4.285 4.527 0.004 0.000 0.290 1216 F C -0.169 175.619 175.800 -0.020 0.000 0.844 1216 F CA 0.325 58.279 58.000 -0.076 0.000 1.184 1216 F CB -2.614 36.389 39.000 0.005 0.000 1.246 1216 F HN -0.111 nan 8.300 nan 0.000 0.536 1217 T N 1.142 115.715 114.554 0.032 0.000 2.780 1217 T HA 0.540 4.893 4.350 0.004 0.000 0.294 1217 T C 0.470 175.130 174.700 -0.067 0.000 0.949 1217 T CA -0.523 61.584 62.100 0.012 0.000 1.074 1217 T CB 1.584 70.444 68.868 -0.013 0.000 0.910 1217 T HN 0.042 nan 8.240 nan 0.000 0.501 1218 V N 5.191 125.080 119.914 -0.042 0.000 2.546 1218 V HA 0.343 4.465 4.120 0.004 0.000 0.284 1218 V C 0.191 176.260 176.094 -0.041 0.000 1.050 1218 V CA -0.530 61.715 62.300 -0.092 0.000 0.981 1218 V CB 0.861 32.646 31.823 -0.063 0.000 0.990 1218 V HN 0.668 nan 8.190 nan 0.000 0.474 1219 K N 3.724 124.091 120.400 -0.055 0.000 2.450 1219 K HA 0.452 4.775 4.320 0.004 0.000 0.257 1219 K C -0.897 175.718 176.600 0.026 0.000 0.953 1219 K CA -0.730 55.553 56.287 -0.006 0.000 0.844 1219 K CB 1.943 34.428 32.500 -0.025 0.000 1.103 1219 K HN 0.392 nan 8.250 nan 0.000 0.429 1220 V N 2.635 122.588 119.914 0.065 0.000 2.540 1220 V HA 0.182 4.305 4.120 0.004 0.000 0.297 1220 V C 0.752 177.020 176.094 0.291 0.000 1.024 1220 V CA 0.309 62.676 62.300 0.113 0.000 1.105 1220 V CB 0.417 32.267 31.823 0.045 0.000 0.938 1220 V HN 0.932 nan 8.190 nan 0.000 0.482 1221 A N 3.642 126.646 122.820 0.306 0.000 3.042 1221 A HA 0.692 5.014 4.320 0.004 0.000 0.229 1221 A C 0.440 178.302 177.584 0.462 0.000 1.185 1221 A CA 0.064 52.282 52.037 0.301 0.000 0.844 1221 A CB 0.241 19.275 19.000 0.056 0.000 1.403 1221 A HN 0.864 nan 8.150 nan 0.000 0.555 1222 D N -1.876 118.675 120.400 0.251 0.000 2.686 1222 D HA -0.156 4.486 4.640 0.004 0.000 0.235 1222 D C -0.382 176.086 176.300 0.279 0.000 1.160 1222 D CA 1.780 55.975 54.000 0.325 0.000 0.645 1222 D CB -1.648 39.394 40.800 0.403 0.000 1.039 1222 D HN 1.125 nan 8.370 nan 0.000 0.423 1223 F N -2.950 117.006 119.950 0.010 0.000 2.664 1223 F HA 0.722 5.251 4.527 0.004 0.000 0.317 1223 F C 1.200 176.955 175.800 -0.074 0.000 1.108 1223 F CA 0.011 57.964 58.000 -0.077 0.000 0.957 1223 F CB 0.992 39.904 39.000 -0.147 0.000 1.365 1223 F HN 0.187 nan 8.300 nan 0.000 0.475 1224 G N 1.196 109.999 108.800 0.004 0.000 2.583 1224 G HA2 -0.313 3.649 3.960 0.004 0.000 0.292 1224 G HA3 -0.313 3.649 3.960 0.004 0.000 0.292 1224 G C 0.424 175.215 174.900 -0.182 0.000 1.203 1224 G CA 0.329 45.326 45.100 -0.171 0.000 0.987 1224 G HN 1.043 nan 8.290 nan 0.000 0.554 1225 L N 1.368 122.448 121.223 -0.239 0.000 2.551 1225 L HA 0.278 4.620 4.340 0.004 0.000 0.228 1225 L C 2.953 179.764 176.870 -0.098 0.000 1.153 1225 L CA 1.235 55.992 54.840 -0.139 0.000 0.851 1225 L CB -0.392 41.596 42.059 -0.118 0.000 0.959 1225 L HN 0.702 nan 8.230 nan 0.000 0.451 1226 A N -0.339 122.390 122.820 -0.152 0.000 2.308 1226 A HA 0.034 4.357 4.320 0.004 0.000 0.217 1226 A C 1.175 178.829 177.584 0.117 0.000 1.216 1226 A CA -0.297 51.728 52.037 -0.020 0.000 0.864 1226 A CB -0.161 18.774 19.000 -0.108 0.000 0.902 1226 A HN 0.239 nan 8.150 nan 0.000 0.499 1227 R N 0.958 121.484 120.500 0.044 0.000 2.522 1227 R HA 0.234 4.576 4.340 0.004 0.000 0.284 1227 R C -1.246 175.129 176.300 0.125 0.000 1.032 1227 R CA 0.491 56.655 56.100 0.106 0.000 1.049 1227 R CB 0.155 30.493 30.300 0.063 0.000 0.956 1227 R HN 0.319 nan 8.270 nan 0.000 0.422 1228 D N 2.739 123.135 120.400 -0.007 0.000 2.725 1228 D HA 0.116 4.759 4.640 0.004 0.000 0.292 1228 D C -1.525 174.514 176.300 -0.436 0.000 1.288 1228 D CA -0.593 53.234 54.000 -0.288 0.000 0.784 1228 D CB 1.272 41.557 40.800 -0.858 0.000 1.308 1228 D HN 0.501 nan 8.370 nan 0.000 0.429 1229 M N 2.408 121.688 119.600 -0.533 0.000 2.055 1229 M HA 0.255 4.738 4.480 0.004 0.000 0.347 1229 M C -0.559 175.506 176.300 -0.392 0.000 1.123 1229 M CA -0.305 54.700 55.300 -0.492 0.000 1.035 1229 M CB 0.497 32.747 32.600 -0.583 0.000 1.484 1229 M HN 0.409 nan 8.290 nan 0.000 0.428 1230 Y N 1.220 121.484 120.300 -0.060 0.000 2.510 1230 Y HA 0.196 4.748 4.550 0.004 0.000 0.273 1230 Y C 0.189 176.119 175.900 0.050 0.000 1.119 1230 Y CA 0.153 58.255 58.100 0.002 0.000 1.286 1230 Y CB 0.655 39.129 38.460 0.023 0.000 1.061 1230 Y HN 0.496 nan 8.280 nan 0.000 0.542 1231 D N -0.104 120.441 120.400 0.241 0.000 2.517 1231 D HA 0.108 4.750 4.640 0.004 0.000 0.263 1231 D C 0.472 176.984 176.300 0.353 0.000 1.233 1231 D CA -0.046 54.156 54.000 0.337 0.000 0.849 1231 D CB 0.945 42.052 40.800 0.512 0.000 1.261 1231 D HN 0.261 nan 8.370 nan 0.000 0.516 1232 K N 0.144 120.629 120.400 0.142 0.000 2.281 1232 K HA -0.146 4.176 4.320 0.004 0.000 0.203 1232 K C 1.201 177.885 176.600 0.140 0.000 1.046 1232 K CA 1.242 57.596 56.287 0.111 0.000 0.938 1232 K CB 0.143 32.644 32.500 0.001 0.000 0.737 1232 K HN 0.015 nan 8.250 nan 0.000 0.458 1233 E N 0.287 120.471 120.200 -0.027 0.000 2.333 1233 E HA -0.155 4.198 4.350 0.004 0.000 0.198 1233 E C 0.576 176.916 176.600 -0.435 0.000 1.007 1233 E CA 0.977 57.212 56.400 -0.275 0.000 0.845 1233 E CB -0.228 29.215 29.700 -0.429 0.000 0.766 1233 E HN 0.641 nan 8.360 nan 0.000 0.507 1234 Y N -1.091 119.308 120.300 0.164 0.000 2.571 1234 Y HA 0.172 4.724 4.550 0.002 0.000 0.275 1234 Y C -0.179 175.544 175.900 -0.295 0.000 1.179 1234 Y CA -0.282 57.798 58.100 -0.033 0.000 1.242 1234 Y CB 0.124 38.462 38.460 -0.204 0.000 1.126 1234 Y HN -0.116 nan 8.280 nan 0.000 0.524 1235 Y N -0.972 119.398 120.300 0.117 0.000 2.442 1235 Y HA 0.541 5.093 4.550 0.004 0.000 0.344 1235 Y C -0.018 175.906 175.900 0.041 0.000 0.976 1235 Y CA -1.338 56.814 58.100 0.086 0.000 1.040 1235 Y CB 1.941 40.428 38.460 0.045 0.000 1.228 1235 Y HN -0.272 nan 8.280 nan 0.000 0.451 1236 S N 2.100 117.900 115.700 0.166 0.000 2.472 1236 S HA 0.715 5.187 4.470 0.004 0.000 0.303 1236 S C -0.850 173.809 174.600 0.098 0.000 1.099 1236 S CA -0.672 57.585 58.200 0.095 0.000 1.077 1236 S CB 1.818 65.042 63.200 0.040 0.000 1.031 1236 S HN 0.501 nan 8.310 nan 0.000 0.487 1244 K N 1.485 121.898 120.400 0.023 0.000 2.248 1244 K HA 0.708 5.030 4.320 0.004 0.000 0.281 1244 K C -0.721 176.014 176.600 0.225 0.000 1.054 1244 K CA 0.200 56.538 56.287 0.085 0.000 0.903 1244 K CB 0.911 33.391 32.500 -0.033 0.000 1.077 1244 K HN 0.625 nan 8.250 nan 0.000 0.474 1245 L N 5.861 127.246 121.223 0.270 0.000 2.341 1245 L HA 0.452 4.794 4.340 0.004 0.000 0.278 1245 L C -2.048 174.958 176.870 0.226 0.000 1.005 1245 L CA -2.150 52.856 54.840 0.278 0.000 0.818 1245 L CB 2.106 44.284 42.059 0.199 0.000 1.259 1245 L HN 0.484 nan 8.230 nan 0.000 0.418 1246 P HA 0.019 nan 4.420 nan 0.000 0.231 1246 P C 1.029 178.466 177.300 0.228 0.000 1.811 1246 P CA -0.229 62.834 63.100 -0.062 0.000 1.051 1246 P CB 0.331 31.906 31.700 -0.208 0.000 1.951 1247 V N 0.187 120.198 119.914 0.162 0.000 2.469 1247 V HA -0.194 3.928 4.120 0.004 0.000 0.251 1247 V C 1.629 177.778 176.094 0.091 0.000 1.064 1247 V CA 1.464 63.821 62.300 0.096 0.000 1.066 1247 V CB -1.192 30.631 31.823 -0.001 0.000 0.667 1247 V HN 0.103 nan 8.190 nan 0.000 0.461 1248 K N -1.048 119.460 120.400 0.180 0.000 2.487 1248 K HA 0.061 4.384 4.320 0.004 0.000 0.192 1248 K C 1.540 178.112 176.600 -0.047 0.000 1.027 1248 K CA 0.600 56.882 56.287 -0.008 0.000 1.054 1248 K CB -0.192 32.228 32.500 -0.132 0.000 0.824 1248 K HN 0.754 nan 8.250 nan 0.000 0.510 1249 W N 0.092 121.475 121.300 0.137 0.000 3.058 1249 W HA 0.269 4.931 4.660 0.003 0.000 0.306 1249 W C 0.245 176.923 176.519 0.265 0.000 1.188 1249 W CA -0.489 56.995 57.345 0.232 0.000 1.651 1249 W CB 0.304 29.871 29.460 0.179 0.000 1.051 1249 W HN -0.062 nan 8.180 nan 0.000 0.592 1250 M N 0.772 120.540 119.600 0.279 0.000 2.233 1250 M HA 0.320 4.803 4.480 0.004 0.000 0.350 1250 M C 0.712 176.679 176.300 -0.556 0.000 1.176 1250 M CA -0.125 55.190 55.300 0.026 0.000 1.150 1250 M CB 1.043 33.651 32.600 0.013 0.000 1.530 1250 M HN -0.253 nan 8.290 nan 0.000 0.459 1251 A N 2.231 124.584 122.820 -0.778 0.000 2.466 1251 A HA 0.105 4.427 4.320 0.004 0.000 0.238 1251 A C 0.891 177.847 177.584 -1.048 0.000 1.074 1251 A CA -0.492 50.652 52.037 -1.489 0.000 0.774 1251 A CB 0.178 18.801 19.000 -0.627 0.000 1.015 1251 A HN 0.973 nan 8.150 nan 0.000 0.498 1252 L N 1.068 121.558 121.223 -1.221 0.000 2.013 1252 L HA -0.205 4.137 4.340 0.004 0.000 0.212 1252 L C 2.496 179.148 176.870 -0.363 0.000 1.073 1252 L CA 2.944 57.437 54.840 -0.579 0.000 0.753 1252 L CB -0.745 41.111 42.059 -0.338 0.000 0.890 1252 L HN 0.888 nan 8.230 nan 0.000 0.432 1253 E N -1.166 118.846 120.200 -0.314 0.000 2.204 1253 E HA -0.135 4.217 4.350 0.004 0.000 0.194 1253 E C 1.856 178.297 176.600 -0.265 0.000 0.989 1253 E CA 1.356 57.627 56.400 -0.214 0.000 0.824 1253 E CB -0.693 28.922 29.700 -0.141 0.000 0.756 1253 E HN 0.583 nan 8.360 nan 0.000 0.477 1254 S N 1.428 116.906 115.700 -0.370 0.000 2.383 1254 S HA 0.008 4.480 4.470 0.004 0.000 0.227 1254 S C 2.164 176.548 174.600 -0.360 0.000 1.026 1254 S CA 0.864 58.764 58.200 -0.501 0.000 0.981 1254 S CB -0.306 62.451 63.200 -0.739 0.000 0.818 1254 S HN 0.202 nan 8.310 nan 0.000 0.472 1255 L N 1.236 122.287 121.223 -0.287 0.000 2.131 1255 L HA -0.170 4.172 4.340 0.004 0.000 0.210 1255 L C 2.613 179.399 176.870 -0.140 0.000 1.092 1255 L CA 1.228 55.956 54.840 -0.186 0.000 0.759 1255 L CB -0.510 41.436 42.059 -0.189 0.000 0.903 1255 L HN 0.375 nan 8.230 nan 0.000 0.435 1256 Q N -1.108 118.601 119.800 -0.151 0.000 2.212 1256 Q HA -0.081 4.261 4.340 0.004 0.000 0.199 1256 Q C 1.871 177.814 176.000 -0.095 0.000 0.950 1256 Q CA 1.730 57.471 55.803 -0.104 0.000 0.863 1256 Q CB 0.174 28.854 28.738 -0.096 0.000 0.944 1256 Q HN 0.601 nan 8.270 nan 0.000 0.465 1257 T N -3.958 110.518 114.554 -0.130 0.000 2.975 1257 T HA 0.042 4.394 4.350 0.004 0.000 0.261 1257 T C 0.338 174.971 174.700 -0.111 0.000 0.984 1257 T CA -0.247 61.789 62.100 -0.107 0.000 0.911 1257 T CB 0.588 69.391 68.868 -0.108 0.000 1.127 1257 T HN -0.009 nan 8.240 nan 0.000 0.514 1258 Q N 0.691 120.388 119.800 -0.172 0.000 2.450 1258 Q HA -0.153 4.189 4.340 0.004 0.000 0.255 1258 Q C -0.472 175.421 176.000 -0.178 0.000 1.003 1258 Q CA 1.110 56.817 55.803 -0.160 0.000 1.097 1258 Q CB -1.936 26.813 28.738 0.019 0.000 1.544 1258 Q HN 0.610 nan 8.270 nan 0.000 0.531 1259 K N 0.025 120.254 120.400 -0.286 0.000 2.123 1259 K HA 0.701 5.024 4.320 0.004 0.000 0.259 1259 K C -0.117 176.247 176.600 -0.393 0.000 0.960 1259 K CA -0.482 55.712 56.287 -0.156 0.000 0.872 1259 K CB 0.848 33.313 32.500 -0.058 0.000 1.079 1259 K HN -0.101 nan 8.250 nan 0.000 0.440 1260 F N -0.065 119.893 119.950 0.013 0.000 2.551 1260 F HA 0.354 4.883 4.527 0.003 0.000 0.316 1260 F C 0.734 176.553 175.800 0.031 0.000 1.089 1260 F CA -0.631 57.388 58.000 0.031 0.000 0.915 1260 F CB 2.140 41.168 39.000 0.047 0.000 1.186 1260 F HN 0.535 nan 8.300 nan 0.000 0.456 1261 T N -3.044 111.639 114.554 0.216 0.000 2.804 1261 T HA 0.305 4.657 4.350 0.004 0.000 0.290 1261 T C 0.607 175.421 174.700 0.189 0.000 1.099 1261 T CA -0.541 61.651 62.100 0.153 0.000 1.011 1261 T CB 1.385 70.309 68.868 0.093 0.000 1.291 1261 T HN 0.421 nan 8.240 nan 0.000 0.523 1262 T N 0.907 115.560 114.554 0.164 0.000 2.759 1262 T HA -0.068 4.284 4.350 0.004 0.000 0.269 1262 T C 1.794 176.611 174.700 0.194 0.000 1.042 1262 T CA 1.083 63.318 62.100 0.225 0.000 1.140 1262 T CB -0.298 68.690 68.868 0.199 0.000 0.864 1262 T HN 0.466 nan 8.240 nan 0.000 0.455 1263 K N 1.558 122.030 120.400 0.121 0.000 2.148 1263 K HA -0.001 4.322 4.320 0.004 0.000 0.204 1263 K C 2.694 179.400 176.600 0.176 0.000 1.050 1263 K CA 1.281 57.623 56.287 0.092 0.000 0.942 1263 K CB -0.584 31.953 32.500 0.061 0.000 0.724 1263 K HN 0.563 nan 8.250 nan 0.000 0.446 1264 S N 0.889 116.708 115.700 0.199 0.000 2.406 1264 S HA -0.087 4.385 4.470 0.004 0.000 0.228 1264 S C 1.460 176.292 174.600 0.386 0.000 1.020 1264 S CA 0.819 59.171 58.200 0.253 0.000 0.965 1264 S CB -0.073 63.216 63.200 0.149 0.000 0.798 1264 S HN 0.105 nan 8.310 nan 0.000 0.488 1265 D N 1.847 122.483 120.400 0.393 0.000 2.117 1265 D HA -0.037 4.606 4.640 0.004 0.000 0.197 1265 D C 2.104 178.739 176.300 0.558 0.000 0.987 1265 D CA 0.923 55.223 54.000 0.499 0.000 0.829 1265 D CB -0.571 40.557 40.800 0.547 0.000 0.961 1265 D HN 0.305 nan 8.370 nan 0.000 0.460 1266 V N 0.974 121.058 119.914 0.284 0.000 2.287 1266 V HA -0.230 3.893 4.120 0.004 0.000 0.248 1266 V C 2.210 178.516 176.094 0.354 0.000 1.053 1266 V CA 1.533 63.861 62.300 0.046 0.000 1.027 1266 V CB -0.532 31.125 31.823 -0.277 0.000 0.646 1266 V HN 0.395 nan 8.190 nan 0.000 0.447 1267 W N 1.223 122.665 121.300 0.237 0.000 2.317 1267 W HA -0.251 4.411 4.660 0.004 0.000 0.318 1267 W C 2.571 179.382 176.519 0.487 0.000 1.227 1267 W CA 2.446 60.017 57.345 0.377 0.000 1.269 1267 W CB -0.739 28.925 29.460 0.340 0.000 1.155 1267 W HN 0.345 nan 8.180 nan 0.000 0.484 1268 S N 0.494 116.694 115.700 0.834 0.000 2.382 1268 S HA -0.234 4.238 4.470 0.004 0.000 0.228 1268 S C 1.582 176.549 174.600 0.612 0.000 1.027 1268 S CA 1.566 60.210 58.200 0.739 0.000 0.991 1268 S CB -1.072 62.502 63.200 0.624 0.000 0.823 1268 S HN 0.378 nan 8.310 nan 0.000 0.469 1269 F N 2.652 122.863 119.950 0.435 0.000 2.134 1269 F HA -0.039 4.491 4.527 0.005 0.000 0.299 1269 F C 2.289 178.258 175.800 0.281 0.000 1.097 1269 F CA 1.304 59.519 58.000 0.357 0.000 1.264 1269 F CB -0.875 38.380 39.000 0.425 0.000 1.001 1269 F HN 0.227 nan 8.300 nan 0.000 0.479 1270 G N 0.195 109.083 108.800 0.146 0.000 2.469 1270 G HA2 -0.260 3.703 3.960 0.004 0.000 0.219 1270 G HA3 -0.260 3.703 3.960 0.004 0.000 0.219 1270 G C 1.653 176.724 174.900 0.284 0.000 1.150 1270 G CA 1.362 46.397 45.100 -0.108 0.000 0.763 1270 G HN 0.366 nan 8.290 nan 0.000 0.561 1271 V N 0.803 121.029 119.914 0.521 0.000 2.427 1271 V HA -0.083 4.039 4.120 0.004 0.000 0.248 1271 V C 2.643 178.936 176.094 0.331 0.000 1.051 1271 V CA 1.493 64.013 62.300 0.365 0.000 1.048 1271 V CB -0.424 31.459 31.823 0.100 0.000 0.666 1271 V HN 0.421 nan 8.190 nan 0.000 0.456 1272 L N -0.510 120.892 121.223 0.298 0.000 2.012 1272 L HA -0.196 4.146 4.340 0.004 0.000 0.210 1272 L C 2.367 179.276 176.870 0.066 0.000 1.073 1272 L CA 1.800 56.770 54.840 0.216 0.000 0.748 1272 L CB -0.221 41.927 42.059 0.148 0.000 0.891 1272 L HN 0.230 nan 8.230 nan 0.000 0.431 1273 L N -1.477 119.650 121.223 -0.161 0.000 2.079 1273 L HA -0.271 4.071 4.340 0.004 0.000 0.210 1273 L C 2.365 179.295 176.870 0.099 0.000 1.081 1273 L CA 1.834 56.589 54.840 -0.142 0.000 0.752 1273 L CB -0.658 41.227 42.059 -0.290 0.000 0.896 1273 L HN 0.542 nan 8.230 nan 0.000 0.433 1274 W N 1.360 122.681 121.300 0.034 0.000 2.363 1274 W HA -0.193 4.469 4.660 0.003 0.000 0.296 1274 W C 2.395 178.942 176.519 0.047 0.000 1.212 1274 W CA 1.574 58.972 57.345 0.089 0.000 1.260 1274 W CB 0.062 29.629 29.460 0.178 0.000 1.131 1274 W HN 0.113 nan 8.180 nan 0.000 0.530 1275 E N 0.163 120.565 120.200 0.337 0.000 2.077 1275 E HA -0.265 4.087 4.350 0.004 0.000 0.193 1275 E C 2.174 178.787 176.600 0.021 0.000 0.989 1275 E CA 1.697 58.199 56.400 0.169 0.000 0.800 1275 E CB -0.675 29.194 29.700 0.282 0.000 0.746 1275 E HN 0.366 nan 8.360 nan 0.000 0.452 1276 L N 0.243 121.499 121.223 0.055 0.000 2.017 1276 L HA -0.183 4.159 4.340 0.004 0.000 0.208 1276 L C 2.466 179.319 176.870 -0.028 0.000 1.073 1276 L CA 0.791 55.666 54.840 0.057 0.000 0.745 1276 L CB -0.267 41.850 42.059 0.097 0.000 0.894 1276 L HN 0.226 nan 8.230 nan 0.000 0.432 1277 M N -0.723 118.823 119.600 -0.089 0.000 2.394 1277 M HA -0.062 4.421 4.480 0.004 0.000 0.264 1277 M C 2.214 178.383 176.300 -0.218 0.000 1.073 1277 M CA 1.490 56.715 55.300 -0.124 0.000 1.111 1277 M CB -1.448 31.096 32.600 -0.093 0.000 1.401 1277 M HN 0.384 nan 8.290 nan 0.000 0.448 1278 T N -3.056 111.278 114.554 -0.366 0.000 3.107 1278 T HA 0.177 4.530 4.350 0.004 0.000 0.249 1278 T C 0.808 175.367 174.700 -0.235 0.000 1.096 1278 T CA -0.205 61.646 62.100 -0.415 0.000 1.012 1278 T CB -0.070 68.325 68.868 -0.789 0.000 0.977 1278 T HN 0.460 nan 8.240 nan 0.000 0.527 1279 R N 0.552 120.961 120.500 -0.151 0.000 3.531 1279 R HA -0.123 4.219 4.340 0.004 0.000 0.280 1279 R C 0.869 177.140 176.300 -0.049 0.000 1.130 1279 R CA 0.326 56.380 56.100 -0.076 0.000 0.757 1279 R CB -2.404 27.837 30.300 -0.099 0.000 1.218 1279 R HN 0.947 nan 8.270 nan 0.000 0.454 1280 G N -1.509 107.267 108.800 -0.040 0.000 2.207 1280 G HA2 -0.126 3.836 3.960 0.004 0.000 0.216 1280 G HA3 -0.126 3.836 3.960 0.004 0.000 0.216 1280 G C 0.190 175.112 174.900 0.036 0.000 1.053 1280 G CA 0.048 45.163 45.100 0.026 0.000 0.764 1280 G HN 0.817 nan 8.290 nan 0.000 0.495 1281 A N 0.579 123.377 122.820 -0.036 0.000 2.445 1281 A HA 0.692 5.015 4.320 0.004 0.000 0.242 1281 A C -1.149 176.580 177.584 0.241 0.000 1.075 1281 A CA -0.596 51.466 52.037 0.042 0.000 0.777 1281 A CB 0.308 19.254 19.000 -0.091 0.000 1.013 1281 A HN 0.337 nan 8.150 nan 0.000 0.493 1282 P HA 0.269 nan 4.420 nan 0.000 0.281 1282 P C -2.784 174.604 177.300 0.146 0.000 1.252 1282 P CA -1.326 61.907 63.100 0.222 0.000 0.778 1282 P CB 0.559 32.376 31.700 0.195 0.000 0.895 1283 P HA 0.095 nan 4.420 nan 0.000 0.281 1283 P C -0.527 176.527 177.300 -0.411 0.000 1.252 1283 P CA -0.240 62.499 63.100 -0.601 0.000 0.778 1283 P CB 0.030 31.147 31.700 -0.972 0.000 0.895 1284 Y N 1.670 121.724 120.300 -0.409 0.000 3.108 1284 Y HA -0.180 4.372 4.550 0.004 0.000 0.208 1284 Y C -1.037 174.716 175.900 -0.245 0.000 1.245 1284 Y CA -0.061 57.824 58.100 -0.358 0.000 1.171 1284 Y CB -2.618 35.573 38.460 -0.448 0.000 1.331 1284 Y HN 0.440 nan 8.280 nan 0.000 0.534 1285 P HA -0.102 nan 4.420 nan 0.000 0.223 1285 P C 0.674 177.952 177.300 -0.037 0.000 1.151 1285 P CA 1.461 64.554 63.100 -0.013 0.000 0.787 1285 P CB 0.401 32.114 31.700 0.021 0.000 0.788 1286 D N -0.445 119.922 120.400 -0.056 0.000 2.388 1286 D HA 0.123 4.766 4.640 0.004 0.000 0.221 1286 D C -0.056 176.173 176.300 -0.120 0.000 1.133 1286 D CA 0.033 53.994 54.000 -0.065 0.000 0.831 1286 D CB 0.753 41.532 40.800 -0.035 0.000 0.962 1286 D HN 0.020 nan 8.370 nan 0.000 0.502 1287 V N 2.077 121.877 119.914 -0.189 0.000 2.350 1287 V HA 0.166 4.288 4.120 0.004 0.000 0.276 1287 V C 0.505 176.456 176.094 -0.239 0.000 1.028 1287 V CA -1.078 61.051 62.300 -0.285 0.000 0.860 1287 V CB 1.373 32.862 31.823 -0.556 0.000 0.990 1287 V HN 0.021 nan 8.190 nan 0.000 0.453 1288 N N 2.793 121.373 118.700 -0.200 0.000 2.416 1288 N HA 0.056 4.798 4.740 0.004 0.000 0.246 1288 N C 1.465 176.727 175.510 -0.412 0.000 1.260 1288 N CA 0.141 53.019 53.050 -0.287 0.000 0.897 1288 N CB 0.984 39.342 38.487 -0.215 0.000 1.110 1288 N HN 0.625 nan 8.380 nan 0.000 0.439 1289 T N 1.005 115.175 114.554 -0.640 0.000 2.737 1289 T HA -0.145 4.208 4.350 0.004 0.000 0.269 1289 T C 1.239 175.684 174.700 -0.425 0.000 1.040 1289 T CA 1.548 63.315 62.100 -0.554 0.000 1.142 1289 T CB -0.298 68.205 68.868 -0.609 0.000 0.861 1289 T HN 0.495 nan 8.240 nan 0.000 0.456 1290 F N 0.926 120.848 119.950 -0.045 0.000 2.780 1290 F HA 0.256 4.785 4.527 0.004 0.000 0.299 1290 F C 1.709 177.483 175.800 -0.044 0.000 1.146 1290 F CA -0.175 57.801 58.000 -0.039 0.000 1.428 1290 F CB -0.276 38.708 39.000 -0.026 0.000 1.115 1290 F HN 0.065 nan 8.300 nan 0.000 0.583 1291 D N -0.086 120.327 120.400 0.023 0.000 2.389 1291 D HA 0.060 4.702 4.640 0.004 0.000 0.206 1291 D C 2.136 178.410 176.300 -0.043 0.000 1.055 1291 D CA 0.272 54.279 54.000 0.013 0.000 0.856 1291 D CB 0.123 40.925 40.800 0.004 0.000 0.957 1291 D HN 0.278 nan 8.370 nan 0.000 0.509 1292 I N 0.935 121.426 120.570 -0.132 0.000 2.315 1292 I HA -0.214 3.959 4.170 0.004 0.000 0.248 1292 I C 1.873 177.927 176.117 -0.105 0.000 1.117 1292 I CA 1.463 62.639 61.300 -0.206 0.000 1.404 1292 I CB -0.197 37.599 38.000 -0.339 0.000 1.071 1292 I HN -0.164 nan 8.210 nan 0.000 0.419 1293 T N -0.138 114.368 114.554 -0.079 0.000 2.708 1293 T HA -0.146 4.207 4.350 0.004 0.000 0.266 1293 T C 2.008 176.697 174.700 -0.018 0.000 1.037 1293 T CA 1.857 63.920 62.100 -0.062 0.000 1.146 1293 T CB -0.503 68.332 68.868 -0.055 0.000 0.865 1293 T HN 0.200 nan 8.240 nan 0.000 0.435 1294 V N 0.499 120.418 119.914 0.008 0.000 2.332 1294 V HA -0.195 3.928 4.120 0.004 0.000 0.248 1294 V C 2.027 178.149 176.094 0.046 0.000 1.055 1294 V CA 1.678 63.993 62.300 0.024 0.000 1.038 1294 V CB -0.778 31.066 31.823 0.034 0.000 0.651 1294 V HN 0.480 nan 8.190 nan 0.000 0.450 1295 Y N 0.525 120.780 120.300 -0.075 0.000 2.114 1295 Y HA -0.267 4.285 4.550 0.004 0.000 0.282 1295 Y C 2.237 178.098 175.900 -0.066 0.000 1.165 1295 Y CA 1.892 59.945 58.100 -0.078 0.000 1.148 1295 Y CB -0.263 38.118 38.460 -0.131 0.000 0.972 1295 Y HN 0.145 nan 8.280 nan 0.000 0.504 1296 L N -0.696 120.552 121.223 0.043 0.000 2.093 1296 L HA -0.230 4.112 4.340 0.004 0.000 0.208 1296 L C 2.405 179.272 176.870 -0.005 0.000 1.085 1296 L CA 1.005 55.856 54.840 0.018 0.000 0.755 1296 L CB -0.603 41.500 42.059 0.074 0.000 0.904 1296 L HN 0.279 nan 8.230 nan 0.000 0.435 1297 L N -0.579 120.635 121.223 -0.015 0.000 2.191 1297 L HA -0.223 4.120 4.340 0.004 0.000 0.212 1297 L C 2.319 179.167 176.870 -0.038 0.000 1.103 1297 L CA 1.102 55.931 54.840 -0.018 0.000 0.769 1297 L CB -0.344 41.705 42.059 -0.016 0.000 0.908 1297 L HN 0.374 nan 8.230 nan 0.000 0.438 1298 Q N -0.513 119.243 119.800 -0.073 0.000 2.482 1298 Q HA 0.034 4.376 4.340 0.004 0.000 0.209 1298 Q C 1.450 177.381 176.000 -0.115 0.000 0.961 1298 Q CA 0.567 56.313 55.803 -0.096 0.000 0.945 1298 Q CB 0.318 28.979 28.738 -0.129 0.000 1.012 1298 Q HN 0.596 nan 8.270 nan 0.000 0.515 1299 G N 1.185 109.921 108.800 -0.107 0.000 2.157 1299 G HA2 -0.240 3.723 3.960 0.004 0.000 0.248 1299 G HA3 -0.240 3.723 3.960 0.004 0.000 0.248 1299 G C -0.025 174.794 174.900 -0.134 0.000 0.979 1299 G CA -0.346 44.700 45.100 -0.090 0.000 0.650 1299 G HN 0.110 nan 8.290 nan 0.000 0.529 1300 R N 0.287 120.619 120.500 -0.280 0.000 2.490 1300 R HA 0.639 4.981 4.340 0.004 0.000 0.280 1300 R C 0.433 176.604 176.300 -0.216 0.000 1.077 1300 R CA -0.027 55.842 56.100 -0.384 0.000 1.065 1300 R CB 0.698 30.399 30.300 -0.997 0.000 1.003 1300 R HN 0.270 nan 8.270 nan 0.000 0.470 1301 R N 1.364 121.826 120.500 -0.063 0.000 2.855 1301 R HA 0.419 4.762 4.340 0.004 0.000 0.266 1301 R C -0.127 176.134 176.300 -0.065 0.000 1.034 1301 R CA -1.252 54.819 56.100 -0.048 0.000 0.944 1301 R CB 0.817 31.127 30.300 0.016 0.000 1.219 1301 R HN 0.426 nan 8.270 nan 0.000 0.474 1302 L N 2.219 123.165 121.223 -0.462 0.000 2.525 1302 L HA 0.096 4.438 4.340 0.004 0.000 0.278 1302 L C 0.553 177.474 176.870 0.085 0.000 1.218 1302 L CA 0.178 54.669 54.840 -0.583 0.000 0.878 1302 L CB -0.070 41.093 42.059 -1.493 0.000 1.127 1302 L HN 0.236 nan 8.230 nan 0.000 0.492 1303 L N 2.777 124.104 121.223 0.174 0.000 2.453 1303 L HA 0.156 4.499 4.340 0.004 0.000 0.261 1303 L C 0.582 177.549 176.870 0.161 0.000 1.179 1303 L CA -0.269 54.701 54.840 0.216 0.000 0.813 1303 L CB 0.363 42.496 42.059 0.124 0.000 1.110 1303 L HN 0.615 nan 8.230 nan 0.000 0.466 1304 Q N 2.407 121.911 119.800 -0.493 0.000 2.274 1304 Q HA 0.124 4.466 4.340 0.004 0.000 0.280 1304 Q C -2.222 173.638 176.000 -0.233 0.000 1.047 1304 Q CA -1.313 53.995 55.803 -0.825 0.000 0.907 1304 Q CB 0.731 28.858 28.738 -1.019 0.000 1.171 1304 Q HN 0.251 nan 8.270 nan 0.000 0.381 1305 P HA -0.061 nan 4.420 nan 0.000 0.269 1305 P C 0.178 177.409 177.300 -0.114 0.000 1.209 1305 P CA -0.155 62.832 63.100 -0.189 0.000 0.776 1305 P CB 0.710 32.229 31.700 -0.302 0.000 0.876 1306 E N 1.062 121.223 120.200 -0.065 0.000 2.086 1306 E HA -0.210 4.142 4.350 0.004 0.000 0.200 1306 E C 0.832 177.359 176.600 -0.121 0.000 1.012 1306 E CA 1.951 58.319 56.400 -0.053 0.000 0.812 1306 E CB -0.414 29.325 29.700 0.066 0.000 0.743 1306 E HN 0.592 nan 8.360 nan 0.000 0.453 1307 Y N -1.213 119.036 120.300 -0.085 0.000 2.571 1307 Y HA 0.141 4.691 4.550 0.001 0.000 0.275 1307 Y C 0.482 176.359 175.900 -0.039 0.000 1.179 1307 Y CA -0.595 57.473 58.100 -0.053 0.000 1.242 1307 Y CB 0.644 39.067 38.460 -0.062 0.000 1.126 1307 Y HN -0.053 nan 8.280 nan 0.000 0.524 1308 C N 3.659 122.988 119.300 0.049 0.000 2.394 1308 C HA 0.420 4.882 4.460 0.004 0.000 0.362 1308 C C -2.140 172.893 174.990 0.071 0.000 1.268 1308 C CA -2.499 56.550 59.018 0.051 0.000 1.828 1308 C CB -0.313 27.446 27.740 0.033 0.000 2.442 1308 C HN 0.191 nan 8.230 nan 0.000 0.549 1309 P HA 0.137 nan 4.420 nan 0.000 0.269 1309 P C 0.436 177.810 177.300 0.123 0.000 1.209 1309 P CA 0.282 63.467 63.100 0.142 0.000 0.776 1309 P CB 0.612 32.453 31.700 0.234 0.000 0.876 1310 D N 3.634 124.090 120.400 0.094 0.000 2.133 1310 D HA -0.169 4.473 4.640 0.004 0.000 0.192 1310 D C -0.599 175.777 176.300 0.127 0.000 1.001 1310 D CA 2.034 56.101 54.000 0.112 0.000 0.844 1310 D CB -1.857 38.986 40.800 0.072 0.000 0.944 1310 D HN 0.449 nan 8.370 nan 0.000 0.447 1311 P HA -0.080 nan 4.420 nan 0.000 0.221 1311 P C 1.794 179.142 177.300 0.081 0.000 1.150 1311 P CA 0.643 63.790 63.100 0.079 0.000 0.800 1311 P CB 0.121 31.867 31.700 0.076 0.000 0.787 1312 L N -1.330 119.961 121.223 0.114 0.000 2.131 1312 L HA -0.033 4.309 4.340 0.004 0.000 0.206 1312 L C 2.637 179.567 176.870 0.099 0.000 1.087 1312 L CA 1.406 56.306 54.840 0.101 0.000 0.767 1312 L CB -1.464 40.666 42.059 0.118 0.000 0.917 1312 L HN -0.170 nan 8.230 nan 0.000 0.441 1313 Y N 0.241 120.545 120.300 0.007 0.000 2.293 1313 Y HA -0.236 4.318 4.550 0.006 0.000 0.291 1313 Y C 2.314 178.182 175.900 -0.053 0.000 1.137 1313 Y CA 1.714 59.809 58.100 -0.007 0.000 1.202 1313 Y CB 0.153 38.639 38.460 0.043 0.000 0.990 1313 Y HN 0.329 nan 8.280 nan 0.000 0.537 1314 E N -0.672 119.488 120.200 -0.067 0.000 2.118 1314 E HA -0.215 4.138 4.350 0.004 0.000 0.195 1314 E C 2.175 178.644 176.600 -0.218 0.000 0.992 1314 E CA 1.545 57.849 56.400 -0.159 0.000 0.804 1314 E CB -0.194 29.480 29.700 -0.043 0.000 0.741 1314 E HN 0.317 nan 8.360 nan 0.000 0.458 1315 V N 1.115 120.935 119.914 -0.157 0.000 2.295 1315 V HA -0.306 3.816 4.120 0.004 0.000 0.246 1315 V C 2.255 178.145 176.094 -0.339 0.000 1.049 1315 V CA 1.804 64.008 62.300 -0.159 0.000 1.024 1315 V CB -0.381 31.416 31.823 -0.042 0.000 0.648 1315 V HN 0.325 nan 8.190 nan 0.000 0.447 1316 M N -0.822 118.495 119.600 -0.472 0.000 2.080 1316 M HA -0.188 4.294 4.480 0.004 0.000 0.260 1316 M C 2.186 177.656 176.300 -1.385 0.000 1.068 1316 M CA 1.961 56.683 55.300 -0.963 0.000 1.109 1316 M CB -0.530 31.580 32.600 -0.816 0.000 1.342 1316 M HN 0.257 nan 8.290 nan 0.000 0.405 1317 L N -0.095 120.562 121.223 -0.944 0.000 2.083 1317 L HA -0.224 4.118 4.340 0.004 0.000 0.209 1317 L C 2.398 179.024 176.870 -0.407 0.000 1.083 1317 L CA 1.323 55.803 54.840 -0.599 0.000 0.752 1317 L CB -0.685 41.103 42.059 -0.451 0.000 0.899 1317 L HN 0.311 nan 8.230 nan 0.000 0.433 1318 K N -0.576 119.617 120.400 -0.345 0.000 2.097 1318 K HA -0.160 4.163 4.320 0.004 0.000 0.206 1318 K C 2.121 178.603 176.600 -0.196 0.000 1.049 1318 K CA 1.531 57.713 56.287 -0.175 0.000 0.933 1318 K CB -0.352 32.066 32.500 -0.136 0.000 0.717 1318 K HN 0.367 nan 8.250 nan 0.000 0.442 1319 C N -0.116 118.938 119.300 -0.409 0.000 2.432 1319 C HA -0.060 4.402 4.460 0.004 0.000 0.282 1319 C C 1.308 176.107 174.990 -0.318 0.000 1.388 1319 C CA -0.033 58.767 59.018 -0.364 0.000 1.777 1319 C CB -0.768 26.692 27.740 -0.467 0.000 1.882 1319 C HN 0.561 nan 8.230 nan 0.000 0.520 1320 W N 0.315 121.365 121.300 -0.416 0.000 3.151 1320 W HA 0.288 4.950 4.660 0.003 0.000 0.424 1320 W C 0.887 177.258 176.519 -0.246 0.000 1.012 1320 W CA -0.794 56.034 57.345 -0.861 0.000 2.018 1320 W CB -1.554 27.187 29.460 -1.198 0.000 1.087 1320 W HN 0.433 nan 8.180 nan 0.000 0.740 1321 H N 3.775 122.891 119.070 0.077 0.000 2.928 1321 H HA 0.002 4.560 4.556 0.004 0.000 0.338 1321 H C -1.162 174.336 175.328 0.283 0.000 1.047 1321 H CA -0.433 55.691 56.048 0.128 0.000 1.435 1321 H CB 1.661 31.463 29.762 0.066 0.000 1.428 1321 H HN -0.110 nan 8.280 nan 0.000 0.590 1322 P HA -0.039 nan 4.420 nan 0.000 0.229 1322 P C -0.310 177.180 177.300 0.316 0.000 1.160 1322 P CA 0.958 64.251 63.100 0.322 0.000 0.777 1322 P CB 0.454 32.242 31.700 0.147 0.000 0.814 1323 K N 0.343 121.035 120.400 0.487 0.000 2.268 1323 K HA 0.427 4.749 4.320 0.004 0.000 0.276 1323 K C 1.223 177.900 176.600 0.128 0.000 1.080 1323 K CA -0.306 56.121 56.287 0.234 0.000 0.910 1323 K CB 1.123 33.715 32.500 0.152 0.000 1.163 1323 K HN -0.154 nan 8.250 nan 0.000 0.465 1324 A N 3.624 126.507 122.820 0.104 0.000 1.917 1324 A HA -0.226 4.097 4.320 0.004 0.000 0.219 1324 A C 1.905 179.499 177.584 0.016 0.000 1.182 1324 A CA 1.767 53.856 52.037 0.086 0.000 0.633 1324 A CB -0.281 18.755 19.000 0.061 0.000 0.819 1324 A HN 0.858 nan 8.150 nan 0.000 0.448 1325 E N -0.635 119.554 120.200 -0.018 0.000 2.409 1325 E HA -0.139 4.213 4.350 0.004 0.000 0.198 1325 E C 1.268 177.801 176.600 -0.111 0.000 1.024 1325 E CA 0.915 57.285 56.400 -0.050 0.000 0.861 1325 E CB -0.366 29.311 29.700 -0.038 0.000 0.788 1325 E HN 0.523 nan 8.360 nan 0.000 0.521 1326 M N 0.942 120.416 119.600 -0.211 0.000 2.495 1326 M HA 0.185 4.667 4.480 0.004 0.000 0.237 1326 M C 0.630 176.767 176.300 -0.271 0.000 1.131 1326 M CA 0.125 55.208 55.300 -0.362 0.000 1.032 1326 M CB -0.247 31.802 32.600 -0.918 0.000 1.513 1326 M HN -0.050 nan 8.290 nan 0.000 0.488 1327 R N 1.661 122.078 120.500 -0.139 0.000 2.582 1327 R HA 0.230 4.572 4.340 0.004 0.000 0.271 1327 R C -2.118 174.118 176.300 -0.107 0.000 1.078 1327 R CA -1.408 54.647 56.100 -0.075 0.000 1.127 1327 R CB -0.235 30.061 30.300 -0.005 0.000 1.038 1327 R HN 0.024 nan 8.270 nan 0.000 0.500 1328 P HA -0.025 nan 4.420 nan 0.000 0.272 1328 P C -0.410 176.771 177.300 -0.198 0.000 1.223 1328 P CA -0.241 62.779 63.100 -0.134 0.000 0.784 1328 P CB 0.834 32.459 31.700 -0.124 0.000 0.923 1329 S N 1.037 116.644 115.700 -0.156 0.000 2.600 1329 S HA 0.152 4.624 4.470 0.004 0.000 0.265 1329 S C 1.000 175.467 174.600 -0.222 0.000 1.325 1329 S CA -0.213 57.886 58.200 -0.168 0.000 1.002 1329 S CB -0.178 62.986 63.200 -0.060 0.000 0.921 1329 S HN 0.225 nan 8.310 nan 0.000 0.554 1330 F N 0.906 120.799 119.950 -0.095 0.000 2.293 1330 F HA 0.004 4.533 4.527 0.003 0.000 0.300 1330 F C 2.990 178.715 175.800 -0.126 0.000 1.086 1330 F CA 1.340 59.240 58.000 -0.166 0.000 1.375 1330 F CB -0.897 37.994 39.000 -0.181 0.000 1.045 1330 F HN 0.707 nan 8.300 nan 0.000 0.516 1331 S N -0.318 115.431 115.700 0.081 0.000 2.368 1331 S HA -0.255 4.217 4.470 0.004 0.000 0.225 1331 S C 2.188 176.797 174.600 0.015 0.000 1.030 1331 S CA 1.655 59.879 58.200 0.040 0.000 0.999 1331 S CB -0.347 62.870 63.200 0.028 0.000 0.844 1331 S HN 0.544 nan 8.310 nan 0.000 0.459 1332 E N 0.186 120.379 120.200 -0.011 0.000 2.106 1332 E HA -0.101 4.251 4.350 0.004 0.000 0.192 1332 E C 2.074 178.666 176.600 -0.015 0.000 0.984 1332 E CA 0.982 57.371 56.400 -0.018 0.000 0.806 1332 E CB -0.179 29.498 29.700 -0.039 0.000 0.750 1332 E HN 0.532 nan 8.360 nan 0.000 0.458 1333 L N 0.199 121.399 121.223 -0.040 0.000 2.012 1333 L HA -0.202 4.141 4.340 0.004 0.000 0.210 1333 L C 2.545 179.432 176.870 0.027 0.000 1.073 1333 L CA 0.878 55.707 54.840 -0.018 0.000 0.748 1333 L CB -0.459 41.529 42.059 -0.118 0.000 0.891 1333 L HN 0.099 nan 8.230 nan 0.000 0.431 1334 V N -0.896 119.030 119.914 0.020 0.000 2.287 1334 V HA -0.340 3.783 4.120 0.004 0.000 0.248 1334 V C 2.717 178.841 176.094 0.049 0.000 1.053 1334 V CA 2.090 64.410 62.300 0.034 0.000 1.027 1334 V CB -0.507 31.334 31.823 0.030 0.000 0.646 1334 V HN 0.498 nan 8.190 nan 0.000 0.447 1335 S N -0.387 115.339 115.700 0.042 0.000 2.359 1335 S HA -0.271 4.201 4.470 0.004 0.000 0.222 1335 S C 2.192 176.830 174.600 0.062 0.000 1.038 1335 S CA 2.057 60.286 58.200 0.049 0.000 1.051 1335 S CB -0.273 62.948 63.200 0.034 0.000 0.944 1335 S HN 0.554 nan 8.310 nan 0.000 0.433 1336 R N 0.102 120.634 120.500 0.054 0.000 2.091 1336 R HA 0.011 4.353 4.340 0.004 0.000 0.238 1336 R C 2.357 178.715 176.300 0.098 0.000 1.136 1336 R CA 1.874 58.013 56.100 0.064 0.000 0.959 1336 R CB -0.469 29.857 30.300 0.044 0.000 0.856 1336 R HN 0.502 nan 8.270 nan 0.000 0.437 1337 I N -0.027 120.610 120.570 0.112 0.000 2.353 1337 I HA -0.193 3.980 4.170 0.004 0.000 0.248 1337 I C 2.167 178.385 176.117 0.169 0.000 1.119 1337 I CA 0.805 62.193 61.300 0.147 0.000 1.417 1337 I CB -0.197 37.903 38.000 0.165 0.000 1.078 1337 I HN 0.065 nan 8.210 nan 0.000 0.421 1338 S N 1.021 116.802 115.700 0.135 0.000 2.365 1338 S HA -0.255 4.218 4.470 0.004 0.000 0.225 1338 S C 2.301 177.041 174.600 0.233 0.000 1.039 1338 S CA 1.706 60.008 58.200 0.171 0.000 1.033 1338 S CB -0.401 62.873 63.200 0.122 0.000 0.887 1338 S HN 0.562 nan 8.310 nan 0.000 0.447 1339 A N 1.110 124.031 122.820 0.168 0.000 1.877 1339 A HA -0.066 4.256 4.320 0.004 0.000 0.216 1339 A C 2.094 179.783 177.584 0.175 0.000 1.186 1339 A CA 1.376 53.502 52.037 0.148 0.000 0.620 1339 A CB -0.715 18.346 19.000 0.102 0.000 0.822 1339 A HN 0.500 nan 8.150 nan 0.000 0.443 1340 I N -2.032 118.658 120.570 0.200 0.000 2.202 1340 I HA -0.213 3.959 4.170 0.004 0.000 0.242 1340 I C 2.330 178.663 176.117 0.360 0.000 1.091 1340 I CA 1.562 63.005 61.300 0.239 0.000 1.368 1340 I CB -0.420 37.712 38.000 0.220 0.000 1.058 1340 I HN 0.424 nan 8.210 nan 0.000 0.410 1341 F N 2.150 122.207 119.950 0.178 0.000 2.115 1341 F HA -0.357 4.172 4.527 0.003 0.000 0.300 1341 F C 2.815 178.748 175.800 0.222 0.000 1.092 1341 F CA 1.982 60.085 58.000 0.171 0.000 1.245 1341 F CB -0.374 38.680 39.000 0.089 0.000 0.995 1341 F HN 0.159 nan 8.300 nan 0.000 0.481 1342 S N -1.262 114.570 115.700 0.220 0.000 2.474 1342 S HA -0.175 4.297 4.470 0.004 0.000 0.235 1342 S C 1.895 176.485 174.600 -0.017 0.000 0.997 1342 S CA 1.157 59.404 58.200 0.077 0.000 0.949 1342 S CB -1.451 61.838 63.200 0.148 0.000 0.766 1342 S HN 0.610 nan 8.310 nan 0.000 0.517 1343 T N -1.714 112.852 114.554 0.019 0.000 3.085 1343 T HA 0.249 4.602 4.350 0.004 0.000 0.263 1343 T C 0.115 174.650 174.700 -0.275 0.000 1.127 1343 T CA -0.236 61.793 62.100 -0.118 0.000 1.103 1343 T CB -0.683 68.096 68.868 -0.147 0.000 0.921 1343 T HN 0.275 nan 8.240 nan 0.000 0.510 1344 F N 1.555 121.378 119.950 -0.211 0.000 2.404 1344 F HA 0.515 5.044 4.527 0.003 0.000 0.339 1344 F C 0.542 176.175 175.800 -0.278 0.000 1.105 1344 F CA -2.056 55.805 58.000 -0.232 0.000 1.087 1344 F CB 0.796 39.639 39.000 -0.261 0.000 1.143 1344 F HN -0.013 nan 8.300 nan 0.000 0.491 1345 I N 2.974 123.501 120.570 -0.072 0.000 2.371 1345 I HA 0.290 4.462 4.170 0.004 0.000 0.290 1345 I C 0.741 176.814 176.117 -0.073 0.000 1.028 1345 I CA 0.037 61.271 61.300 -0.110 0.000 1.345 1345 I CB 0.442 38.376 38.000 -0.110 0.000 1.407 1345 I HN 0.661 nan 8.210 nan 0.000 0.501 1346 G N 4.386 113.136 108.800 -0.083 0.000 2.702 1346 G HA2 0.247 4.210 3.960 0.004 0.000 0.254 1346 G HA3 0.247 4.210 3.960 0.004 0.000 0.254 1346 G C 0.631 175.484 174.900 -0.078 0.000 1.380 1346 G CA -0.216 44.847 45.100 -0.060 0.000 1.042 1346 G HN 0.680 nan 8.290 nan 0.000 0.557 1347 E N -1.438 118.689 120.200 -0.122 0.000 2.072 1347 E HA -0.097 4.256 4.350 0.004 0.000 0.190 1347 E C 1.412 177.774 176.600 -0.396 0.000 0.982 1347 E CA 0.854 57.070 56.400 -0.307 0.000 0.803 1347 E CB 0.016 29.439 29.700 -0.462 0.000 0.755 1347 E HN 0.552 nan 8.360 nan 0.000 0.453 1348 H N -2.569 116.542 119.070 0.067 0.000 2.874 1348 H HA 0.165 4.723 4.556 0.004 0.000 0.264 1348 H C -0.392 175.040 175.328 0.173 0.000 1.007 1348 H CA 0.246 56.352 56.048 0.095 0.000 1.207 1348 H CB 0.865 30.682 29.762 0.091 0.000 1.487 1348 H HN 0.144 nan 8.280 nan 0.000 0.505 1349 Y N 0.000 120.347 120.300 0.079 0.000 2.660 1349 Y HA 0.000 4.552 4.550 0.004 0.000 0.201 1349 Y CA 0.000 58.127 58.100 0.046 0.000 1.940 1349 Y CB 0.000 38.505 38.460 0.075 0.000 1.050 1349 Y HN 0.000 nan 8.280 nan 0.000 0.758