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 3efk_1_A DATA FIRST_RESID 1054 DATA SEQUENCE DLSALNPELV QAVQHVVIGP SSLIVHFNEV IGRGHFGCVY HGTLLDNDGK DATA SEQUENCE KIHCAVKSLN RITDIGEVSQ FLTEGIIMKD FSHPNVLSLL GICLRSEGSP DATA SEQUENCE LVVLPYMKHG DLRNFIRNET HNPTVKDLIG FGLQVAKGMK YLASKKFVHR DATA SEQUENCE DLAARNCMLD EKFTVKVADF XXXXXXXXXX XXXXXXXXXX XXPVKWMALE DATA SEQUENCE SLQTQKFTTK SDVWSFGVLL WELMTRGAPP YPDVNTFDIT VYLLQGRRLL DATA SEQUENCE QPEYCPDPLY EVMLKCWHPK AEMRPSFSEL VSRISAIFST FIGEHYVH 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 1054 D HA 0.000 nan 4.640 nan 0.000 0.175 1054 D C 0.000 176.300 176.300 0.001 0.000 2.045 1054 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 1054 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 1055 L N -0.166 121.059 121.223 0.004 0.000 2.349 1055 L HA 0.326 4.666 4.340 -0.000 0.000 0.200 1055 L C 0.943 177.822 176.870 0.015 0.000 1.064 1055 L CA 0.422 55.267 54.840 0.009 0.000 0.821 1055 L CB 0.124 42.186 42.059 0.006 0.000 1.027 1055 L HN 0.056 nan 8.230 nan 0.000 0.476 1056 S N -0.073 115.634 115.700 0.012 0.000 2.630 1056 S HA 0.359 4.829 4.470 -0.000 0.000 0.173 1056 S C 0.433 175.039 174.600 0.010 0.000 1.048 1056 S CA -0.270 57.938 58.200 0.013 0.000 1.172 1056 S CB 1.187 64.394 63.200 0.013 0.000 1.638 1056 S HN 0.223 nan 8.310 nan 0.000 0.429 1057 A N 1.128 123.954 122.820 0.010 0.000 2.291 1057 A HA 0.440 4.760 4.320 -0.000 0.000 0.220 1057 A C 0.510 178.101 177.584 0.012 0.000 1.262 1057 A CA 0.281 52.323 52.037 0.009 0.000 0.867 1057 A CB -0.289 18.715 19.000 0.006 0.000 0.888 1057 A HN 0.586 nan 8.150 nan 0.000 0.487 1058 L N -1.313 119.918 121.223 0.015 0.000 2.416 1058 L HA 0.310 4.650 4.340 -0.000 0.000 0.263 1058 L C 0.527 177.406 176.870 0.015 0.000 1.065 1058 L CA -1.062 53.789 54.840 0.018 0.000 0.798 1058 L CB 0.543 42.617 42.059 0.024 0.000 1.267 1058 L HN 0.285 nan 8.230 nan 0.000 0.467 1059 N N 0.482 119.191 118.700 0.015 0.000 2.468 1059 N HA 0.087 4.827 4.740 -0.000 0.000 0.265 1059 N C -1.963 173.555 175.510 0.012 0.000 1.199 1059 N CA -0.972 52.086 53.050 0.013 0.000 0.928 1059 N CB 1.067 39.561 38.487 0.013 0.000 1.059 1059 N HN 0.218 nan 8.380 nan 0.000 0.467 1060 P HA -0.133 nan 4.420 nan 0.000 0.216 1060 P C 0.395 177.702 177.300 0.011 0.000 1.150 1060 P CA 1.342 64.449 63.100 0.010 0.000 0.837 1060 P CB 0.245 31.950 31.700 0.008 0.000 0.786 1061 E N -1.026 119.181 120.200 0.011 0.000 2.106 1061 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 1061 E C 1.837 178.445 176.600 0.014 0.000 0.984 1061 E CA 0.657 57.063 56.400 0.011 0.000 0.806 1061 E CB -0.932 28.774 29.700 0.009 0.000 0.750 1061 E HN 0.098 nan 8.360 nan 0.000 0.458 1062 L N 0.013 121.244 121.223 0.013 0.000 2.056 1062 L HA -0.098 4.242 4.340 -0.000 0.000 0.207 1062 L C 1.999 178.876 176.870 0.013 0.000 1.078 1062 L CA 1.252 56.100 54.840 0.013 0.000 0.749 1062 L CB -0.253 41.814 42.059 0.013 0.000 0.901 1062 L HN 0.003 nan 8.230 nan 0.000 0.433 1063 V N -0.204 119.718 119.914 0.014 0.000 2.407 1063 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 1063 V C 3.061 179.164 176.094 0.015 0.000 1.055 1063 V CA 2.104 64.411 62.300 0.012 0.000 1.049 1063 V CB -1.350 30.481 31.823 0.013 0.000 0.662 1063 V HN 0.703 nan 8.190 nan 0.000 0.455 1064 Q N -0.407 119.405 119.800 0.020 0.000 2.119 1064 Q HA -0.128 4.212 4.340 -0.000 0.000 0.201 1064 Q C 2.281 178.313 176.000 0.052 0.000 0.972 1064 Q CA 2.099 57.919 55.803 0.029 0.000 0.847 1064 Q CB -1.002 27.748 28.738 0.021 0.000 0.903 1064 Q HN 0.731 nan 8.270 nan 0.000 0.433 1065 A N -0.296 122.554 122.820 0.050 0.000 1.933 1065 A HA 0.069 4.389 4.320 -0.000 0.000 0.218 1065 A C 2.410 180.080 177.584 0.143 0.000 1.175 1065 A CA 1.683 53.772 52.037 0.086 0.000 0.628 1065 A CB -0.406 18.624 19.000 0.050 0.000 0.814 1065 A HN 0.794 nan 8.150 nan 0.000 0.444 1066 V N -0.425 119.506 119.914 0.027 0.000 3.541 1066 V HA -0.068 4.052 4.120 -0.000 0.000 0.267 1066 V C 2.138 178.145 176.094 -0.145 0.000 1.213 1066 V CA 0.930 63.166 62.300 -0.107 0.000 1.149 1066 V CB -0.386 31.374 31.823 -0.105 0.000 0.822 1066 V HN 0.501 nan 8.190 nan 0.000 0.462 1067 Q N 0.827 120.620 119.800 -0.011 0.000 2.077 1067 Q HA -0.233 4.107 4.340 -0.000 0.000 0.206 1067 Q C 2.097 178.082 176.000 -0.024 0.000 0.989 1067 Q CA 2.293 58.094 55.803 -0.003 0.000 0.853 1067 Q CB -0.666 28.096 28.738 0.040 0.000 0.907 1067 Q HN 1.001 nan 8.270 nan 0.000 0.418 1068 H N -0.910 118.142 119.070 -0.030 0.000 2.541 1068 H HA -0.017 4.539 4.556 -0.000 0.000 0.289 1068 H C 1.517 176.822 175.328 -0.039 0.000 1.054 1068 H CA 1.252 57.281 56.048 -0.032 0.000 1.250 1068 H CB -0.157 29.584 29.762 -0.035 0.000 1.369 1068 H HN 0.054 nan 8.280 nan 0.000 0.578 1069 V N 0.804 120.414 119.914 -0.507 0.000 3.431 1069 V HA 0.040 4.160 4.120 -0.000 0.000 0.253 1069 V C 1.246 177.230 176.094 -0.185 0.000 1.184 1069 V CA 0.083 62.157 62.300 -0.377 0.000 1.104 1069 V CB 0.451 31.992 31.823 -0.470 0.000 0.799 1069 V HN 0.067 nan 8.190 nan 0.000 0.462 1070 V N 2.103 121.935 119.914 -0.138 0.000 2.637 1070 V HA 0.187 4.307 4.120 -0.000 0.000 0.296 1070 V C -0.015 176.057 176.094 -0.038 0.000 1.046 1070 V CA 0.252 62.512 62.300 -0.067 0.000 1.066 1070 V CB 1.204 33.002 31.823 -0.042 0.000 0.968 1070 V HN 0.250 nan 8.190 nan 0.000 0.483 1071 I N 3.740 124.297 120.570 -0.021 0.000 2.339 1071 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 1071 I C 1.007 177.123 176.117 -0.001 0.000 0.994 1071 I CA -0.283 61.011 61.300 -0.011 0.000 1.191 1071 I CB 1.500 39.495 38.000 -0.009 0.000 1.343 1071 I HN 0.739 nan 8.210 nan 0.000 0.458 1072 G N 7.424 116.223 108.800 -0.001 0.000 2.343 1072 G HA2 0.155 4.115 3.960 -0.000 0.000 0.254 1072 G HA3 0.155 4.115 3.960 -0.000 0.000 0.254 1072 G C -1.417 173.484 174.900 0.001 0.000 1.277 1072 G CA -0.827 44.273 45.100 0.001 0.000 0.909 1072 G HN 0.468 nan 8.290 nan 0.000 0.502 1073 P HA -0.132 nan 4.420 nan 0.000 0.225 1073 P C 1.732 179.030 177.300 -0.003 0.000 1.148 1073 P CA 1.322 64.424 63.100 0.003 0.000 0.779 1073 P CB 0.239 31.944 31.700 0.009 0.000 0.780 1074 S N -0.769 114.929 115.700 -0.003 0.000 2.607 1074 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 1074 S C 1.520 176.116 174.600 -0.007 0.000 0.969 1074 S CA 0.633 58.829 58.200 -0.006 0.000 0.927 1074 S CB -1.070 62.127 63.200 -0.005 0.000 0.772 1074 S HN 0.249 nan 8.310 nan 0.000 0.533 1075 S N 0.015 115.711 115.700 -0.007 0.000 2.593 1075 S HA 0.483 4.953 4.470 -0.000 0.000 0.236 1075 S C -0.304 174.290 174.600 -0.009 0.000 0.991 1075 S CA -0.658 57.538 58.200 -0.006 0.000 0.963 1075 S CB -0.124 63.074 63.200 -0.003 0.000 0.865 1075 S HN 0.395 nan 8.310 nan 0.000 0.488 1076 L N 1.417 122.630 121.223 -0.015 0.000 2.381 1076 L HA 0.668 5.008 4.340 -0.000 0.000 0.274 1076 L C -1.371 175.470 176.870 -0.049 0.000 0.988 1076 L CA -0.879 53.946 54.840 -0.025 0.000 0.824 1076 L CB 1.690 43.737 42.059 -0.020 0.000 1.263 1076 L HN 0.247 nan 8.230 nan 0.000 0.410 1077 I N 5.414 125.940 120.570 -0.073 0.000 2.406 1077 I HA 0.441 4.611 4.170 -0.000 0.000 0.290 1077 I C -0.919 175.067 176.117 -0.218 0.000 0.999 1077 I CA -0.828 60.379 61.300 -0.156 0.000 1.124 1077 I CB 1.993 39.881 38.000 -0.186 0.000 1.289 1077 I HN 0.269 nan 8.210 nan 0.000 0.441 1078 V N 5.925 125.648 119.914 -0.318 0.000 2.347 1078 V HA 0.246 4.366 4.120 -0.000 0.000 0.280 1078 V C 0.082 175.840 176.094 -0.560 0.000 1.021 1078 V CA -0.713 61.297 62.300 -0.483 0.000 0.847 1078 V CB 1.029 32.333 31.823 -0.865 0.000 0.990 1078 V HN 0.553 nan 8.190 nan 0.000 0.444 1079 H N 5.813 124.735 119.070 -0.246 0.000 3.118 1079 H HA 0.170 4.726 4.556 -0.000 0.000 0.266 1079 H C 0.456 175.698 175.328 -0.144 0.000 1.465 1079 H CA 0.024 56.002 56.048 -0.117 0.000 1.460 1079 H CB 0.264 30.023 29.762 -0.004 0.000 1.661 1079 H HN 0.640 nan 8.280 nan 0.000 0.516 1080 F N 1.751 121.656 119.950 -0.076 0.000 2.641 1080 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 1080 F C 2.213 178.012 175.800 -0.002 0.000 1.146 1080 F CA 0.355 58.175 58.000 -0.300 0.000 1.464 1080 F CB 0.185 38.940 39.000 -0.409 0.000 1.101 1080 F HN 0.520 nan 8.300 nan 0.000 0.585 1081 N N 0.302 119.143 118.700 0.235 0.000 2.299 1081 N HA -0.061 4.679 4.740 -0.000 0.000 0.187 1081 N C -0.271 175.372 175.510 0.222 0.000 1.099 1081 N CA 0.350 53.526 53.050 0.209 0.000 0.867 1081 N CB -0.153 38.419 38.487 0.142 0.000 0.974 1081 N HN 0.295 nan 8.380 nan 0.000 0.477 1082 E N 1.245 121.614 120.200 0.282 0.000 2.267 1082 E HA 0.278 4.628 4.350 -0.000 0.000 0.241 1082 E C -0.921 175.911 176.600 0.387 0.000 0.950 1082 E CA -0.477 56.098 56.400 0.291 0.000 0.776 1082 E CB 1.807 31.642 29.700 0.224 0.000 1.207 1082 E HN -0.026 nan 8.360 nan 0.000 0.436 1083 V N 3.379 123.457 119.914 0.275 0.000 2.649 1083 V HA 0.087 4.207 4.120 -0.000 0.000 0.292 1083 V C 0.686 176.816 176.094 0.060 0.000 1.055 1083 V CA 0.035 62.401 62.300 0.110 0.000 1.023 1083 V CB 1.398 33.261 31.823 0.066 0.000 0.992 1083 V HN 0.636 nan 8.190 nan 0.000 0.480 1084 I N 2.743 123.258 120.570 -0.091 0.000 4.323 1084 I HA 0.422 4.591 4.170 -0.000 0.000 0.328 1084 I C 1.318 177.417 176.117 -0.031 0.000 1.310 1084 I CA 0.485 61.758 61.300 -0.045 0.000 1.186 1084 I CB 0.033 37.944 38.000 -0.150 0.000 1.130 1084 I HN 0.675 nan 8.210 nan 0.000 0.411 1085 G N -0.330 108.419 108.800 -0.085 0.000 2.606 1085 G HA2 0.399 4.359 3.960 -0.000 0.000 0.252 1085 G HA3 0.399 4.359 3.960 -0.000 0.000 0.252 1085 G C 0.662 175.571 174.900 0.014 0.000 1.206 1085 G CA 0.288 45.368 45.100 -0.034 0.000 0.861 1085 G HN 0.351 nan 8.290 nan 0.000 0.561 1086 R N -1.122 119.410 120.500 0.054 0.000 2.316 1086 R HA 0.546 4.886 4.340 -0.000 0.000 0.201 1086 R C 1.638 177.968 176.300 0.051 0.000 0.888 1086 R CA 1.420 57.554 56.100 0.057 0.000 1.041 1086 R CB -0.183 30.163 30.300 0.076 0.000 1.115 1086 R HN 2.155 nan 8.270 nan 0.000 0.559 1087 G N -1.457 107.377 108.800 0.056 0.000 3.134 1087 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.195 1087 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.195 1087 G C 1.077 176.004 174.900 0.045 0.000 1.054 1087 G CA 0.907 46.030 45.100 0.039 0.000 0.828 1087 G HN 0.684 nan 8.290 nan 0.000 0.462 1088 H N 0.508 119.553 119.070 -0.040 0.000 2.321 1088 H HA 0.017 4.573 4.556 -0.000 0.000 0.295 1088 H C 1.902 177.089 175.328 -0.235 0.000 1.102 1088 H CA 2.297 58.253 56.048 -0.153 0.000 1.266 1088 H CB -0.423 29.218 29.762 -0.201 0.000 1.363 1088 H HN 0.425 nan 8.280 nan 0.000 0.492 1089 F N 0.155 119.920 119.950 -0.308 0.000 2.797 1089 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 1089 F C 1.672 177.356 175.800 -0.192 0.000 1.130 1089 F CA 0.607 58.401 58.000 -0.344 0.000 1.387 1089 F CB 0.398 39.242 39.000 -0.259 0.000 1.107 1089 F HN 0.611 nan 8.300 nan 0.000 0.577 1090 G N -0.579 108.216 108.800 -0.009 0.000 2.418 1090 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.206 1090 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.206 1090 G C -1.303 173.581 174.900 -0.027 0.000 1.202 1090 G CA -0.749 44.346 45.100 -0.008 0.000 1.061 1090 G HN 0.045 nan 8.290 nan 0.000 0.563 1091 C N 0.903 120.177 119.300 -0.043 0.000 2.264 1091 C HA 0.706 5.166 4.460 -0.000 0.000 0.324 1091 C C 0.515 175.279 174.990 -0.376 0.000 1.267 1091 C CA -0.262 58.647 59.018 -0.182 0.000 1.618 1091 C CB -0.261 27.441 27.740 -0.064 0.000 2.278 1091 C HN 0.720 nan 8.230 nan 0.000 0.499 1092 V N 5.684 125.279 119.914 -0.531 0.000 2.555 1092 V HA 0.584 4.704 4.120 -0.000 0.000 0.302 1092 V C -0.935 174.767 176.094 -0.654 0.000 1.038 1092 V CA -0.601 61.438 62.300 -0.434 0.000 0.887 1092 V CB 1.481 33.175 31.823 -0.216 0.000 0.991 1092 V HN 0.767 nan 8.190 nan 0.000 0.434 1093 Y N 1.147 121.397 120.300 -0.083 0.000 2.570 1093 Y HA 0.538 5.088 4.550 -0.000 0.000 0.345 1093 Y C 0.443 176.246 175.900 -0.162 0.000 1.014 1093 Y CA -1.059 56.978 58.100 -0.106 0.000 1.063 1093 Y CB 1.282 39.651 38.460 -0.152 0.000 1.272 1093 Y HN 0.543 nan 8.280 nan 0.000 0.477 1094 H N 0.733 119.904 119.070 0.167 0.000 2.803 1094 H HA 0.402 4.957 4.556 -0.000 0.000 0.330 1094 H C 0.100 175.532 175.328 0.173 0.000 1.057 1094 H CA 0.334 56.457 56.048 0.125 0.000 1.458 1094 H CB 0.969 30.739 29.762 0.014 0.000 1.470 1094 H HN 0.886 nan 8.280 nan 0.000 0.560 1095 G N 1.229 110.188 108.800 0.265 0.000 2.569 1095 G HA2 0.450 4.410 3.960 -0.000 0.000 0.300 1095 G HA3 0.450 4.410 3.960 -0.000 0.000 0.300 1095 G C -0.975 174.061 174.900 0.227 0.000 1.269 1095 G CA -0.587 44.627 45.100 0.189 0.000 0.959 1095 G HN 0.484 nan 8.290 nan 0.000 0.478 1096 T N 0.602 115.246 114.554 0.150 0.000 2.840 1096 T HA 0.489 4.839 4.350 -0.000 0.000 0.287 1096 T C -1.077 173.651 174.700 0.046 0.000 0.991 1096 T CA -0.328 61.843 62.100 0.117 0.000 0.964 1096 T CB 1.611 70.561 68.868 0.137 0.000 0.954 1096 T HN 0.449 nan 8.240 nan 0.000 0.438 1097 L N 4.058 125.302 121.223 0.036 0.000 2.333 1097 L HA 0.722 5.062 4.340 -0.000 0.000 0.280 1097 L C -1.271 175.607 176.870 0.013 0.000 1.004 1097 L CA -1.023 53.825 54.840 0.014 0.000 0.820 1097 L CB 1.378 43.440 42.059 0.004 0.000 1.247 1097 L HN 0.573 nan 8.230 nan 0.000 0.416 1098 L N 4.707 125.934 121.223 0.006 0.000 2.259 1098 L HA 0.474 4.814 4.340 -0.000 0.000 0.288 1098 L C -0.615 176.256 176.870 0.002 0.000 1.051 1098 L CA 0.111 54.954 54.840 0.005 0.000 0.824 1098 L CB 0.412 42.473 42.059 0.003 0.000 1.206 1098 L HN 0.661 nan 8.230 nan 0.000 0.429 1099 D N 2.444 122.845 120.400 0.003 0.000 2.358 1099 D HA 0.159 4.798 4.640 -0.000 0.000 0.244 1099 D C 1.069 177.370 176.300 0.001 0.000 1.163 1099 D CA -0.076 53.925 54.000 0.001 0.000 0.945 1099 D CB 0.625 41.425 40.800 0.001 0.000 1.152 1099 D HN 0.494 nan 8.370 nan 0.000 0.451 1100 N N 1.058 119.759 118.700 0.001 0.000 2.348 1100 N HA -0.145 4.595 4.740 -0.000 0.000 0.185 1100 N C 0.161 175.672 175.510 0.002 0.000 1.019 1100 N CA 0.799 53.850 53.050 0.002 0.000 0.880 1100 N CB -0.019 38.470 38.487 0.003 0.000 0.965 1100 N HN 0.408 nan 8.380 nan 0.000 0.437 1101 D N -0.069 120.332 120.400 0.002 0.000 2.355 1101 D HA 0.072 4.712 4.640 -0.000 0.000 0.218 1101 D C 1.463 177.764 176.300 0.002 0.000 1.004 1101 D CA 0.571 54.572 54.000 0.002 0.000 0.880 1101 D CB -0.089 40.712 40.800 0.001 0.000 0.911 1101 D HN 0.407 nan 8.370 nan 0.000 0.528 1102 G N 1.420 110.222 108.800 0.002 0.000 2.157 1102 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.239 1102 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.239 1102 G C 0.283 175.185 174.900 0.003 0.000 0.982 1102 G CA 0.286 45.387 45.100 0.002 0.000 0.650 1102 G HN 0.501 nan 8.290 nan 0.000 0.527 1103 K N 0.425 120.827 120.400 0.004 0.000 2.227 1103 K HA 0.638 4.958 4.320 -0.000 0.000 0.280 1103 K C -0.068 176.537 176.600 0.009 0.000 1.041 1103 K CA -0.835 55.456 56.287 0.006 0.000 0.905 1103 K CB 1.285 33.788 32.500 0.005 0.000 1.068 1103 K HN 0.061 nan 8.250 nan 0.000 0.470 1104 K N 5.839 126.246 120.400 0.012 0.000 2.263 1104 K HA 0.274 4.594 4.320 -0.000 0.000 0.272 1104 K C -0.760 175.855 176.600 0.026 0.000 1.033 1104 K CA -0.792 55.505 56.287 0.017 0.000 0.884 1104 K CB 0.471 32.981 32.500 0.016 0.000 1.107 1104 K HN 0.823 nan 8.250 nan 0.000 0.460 1105 I N 0.356 120.946 120.570 0.034 0.000 2.689 1105 I HA 0.352 4.522 4.170 -0.000 0.000 0.299 1105 I C -0.312 175.855 176.117 0.084 0.000 1.059 1105 I CA -1.012 60.317 61.300 0.048 0.000 1.055 1105 I CB 1.785 39.799 38.000 0.025 0.000 1.243 1105 I HN 0.573 nan 8.210 nan 0.000 0.425 1106 H N 5.278 124.343 119.070 -0.009 0.000 2.722 1106 H HA 0.541 5.097 4.556 -0.000 0.000 0.328 1106 H C -0.911 174.425 175.328 0.014 0.000 1.067 1106 H CA -0.347 55.688 56.048 -0.022 0.000 1.447 1106 H CB 1.277 30.988 29.762 -0.084 0.000 1.469 1106 H HN 1.032 nan 8.280 nan 0.000 0.544 1107 C N 2.934 122.084 119.300 -0.249 0.000 3.285 1107 C HA 0.867 5.327 4.460 -0.000 0.000 0.320 1107 C C -0.426 174.462 174.990 -0.170 0.000 1.411 1107 C CA -0.673 58.214 59.018 -0.219 0.000 1.429 1107 C CB 0.789 28.485 27.740 -0.074 0.000 1.812 1107 C HN 0.986 nan 8.230 nan 0.000 0.454 1108 A N 0.510 123.277 122.820 -0.089 0.000 2.317 1108 A HA 0.798 5.117 4.320 -0.000 0.000 0.327 1108 A C -0.795 176.756 177.584 -0.054 0.000 1.178 1108 A CA -0.432 51.566 52.037 -0.065 0.000 0.817 1108 A CB 0.715 19.671 19.000 -0.074 0.000 1.189 1108 A HN 1.469 nan 8.150 nan 0.000 0.489 1109 V N 2.961 122.859 119.914 -0.027 0.000 2.483 1109 V HA 0.408 4.528 4.120 -0.000 0.000 0.297 1109 V C -0.002 176.131 176.094 0.065 0.000 1.027 1109 V CA -0.748 61.559 62.300 0.012 0.000 0.855 1109 V CB 1.570 33.391 31.823 -0.004 0.000 0.995 1109 V HN 0.925 nan 8.190 nan 0.000 0.424 1110 K N 2.668 123.101 120.400 0.055 0.000 2.185 1110 K HA 0.551 4.871 4.320 -0.000 0.000 0.269 1110 K C -0.387 176.303 176.600 0.151 0.000 0.987 1110 K CA -0.175 56.160 56.287 0.079 0.000 0.865 1110 K CB 1.584 34.098 32.500 0.024 0.000 1.090 1110 K HN 0.652 nan 8.250 nan 0.000 0.450 1111 S N 5.203 121.044 115.700 0.235 0.000 2.438 1111 S HA 0.338 4.808 4.470 -0.000 0.000 0.293 1111 S C 0.052 174.714 174.600 0.105 0.000 1.141 1111 S CA -0.805 57.533 58.200 0.230 0.000 1.080 1111 S CB 0.282 63.726 63.200 0.407 0.000 0.978 1111 S HN 0.533 nan 8.310 nan 0.000 0.479 1112 L N 4.009 125.240 121.223 0.013 0.000 2.464 1112 L HA 0.261 4.601 4.340 -0.000 0.000 0.264 1112 L C 0.425 177.261 176.870 -0.057 0.000 1.199 1112 L CA -0.734 54.063 54.840 -0.072 0.000 0.818 1112 L CB 0.238 42.151 42.059 -0.243 0.000 1.102 1112 L HN 0.658 nan 8.230 nan 0.000 0.473 1113 N N 0.401 119.061 118.700 -0.066 0.000 2.441 1113 N HA 0.137 4.877 4.740 -0.000 0.000 0.251 1113 N C 0.265 175.725 175.510 -0.083 0.000 1.242 1113 N CA -0.135 52.881 53.050 -0.057 0.000 0.898 1113 N CB 0.150 38.608 38.487 -0.050 0.000 1.100 1113 N HN 0.608 nan 8.380 nan 0.000 0.443 1114 R N 1.845 122.306 120.500 -0.065 0.000 2.586 1114 R HA 0.039 4.379 4.340 -0.000 0.000 0.346 1114 R C -0.009 176.246 176.300 -0.074 0.000 1.044 1114 R CA -0.021 56.038 56.100 -0.070 0.000 1.004 1114 R CB -1.398 28.870 30.300 -0.053 0.000 0.968 1114 R HN 0.473 nan 8.270 nan 0.000 0.438 1115 I N 2.641 123.150 120.570 -0.103 0.000 2.517 1115 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 1115 I C 1.468 177.548 176.117 -0.061 0.000 1.106 1115 I CA 0.598 61.841 61.300 -0.096 0.000 1.402 1115 I CB 1.077 38.987 38.000 -0.150 0.000 1.399 1115 I HN 0.662 nan 8.210 nan 0.000 0.535 1116 T N 4.602 119.131 114.554 -0.042 0.000 3.054 1116 T HA 0.082 4.432 4.350 -0.000 0.000 0.255 1116 T C 0.237 174.926 174.700 -0.018 0.000 1.035 1116 T CA -0.102 61.981 62.100 -0.029 0.000 0.941 1116 T CB -0.102 68.750 68.868 -0.025 0.000 1.026 1116 T HN 0.779 nan 8.240 nan 0.000 0.533 1117 D N 0.583 120.974 120.400 -0.014 0.000 2.601 1117 D HA 0.188 4.828 4.640 -0.000 0.000 0.230 1117 D C 1.370 177.673 176.300 0.005 0.000 1.106 1117 D CA -0.736 53.261 54.000 -0.004 0.000 0.873 1117 D CB 1.342 42.141 40.800 -0.001 0.000 1.515 1117 D HN 0.327 nan 8.370 nan 0.000 0.468 1118 I N -1.435 119.141 120.570 0.010 0.000 2.361 1118 I HA 0.029 4.199 4.170 -0.000 0.000 0.251 1118 I C 1.965 178.099 176.117 0.027 0.000 1.133 1118 I CA 1.365 62.676 61.300 0.019 0.000 1.413 1118 I CB -0.452 37.558 38.000 0.016 0.000 1.073 1118 I HN 0.427 nan 8.210 nan 0.000 0.424 1119 G N 1.038 109.852 108.800 0.023 0.000 2.446 1119 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 1119 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 1119 G C 1.539 176.463 174.900 0.039 0.000 1.168 1119 G CA 0.983 46.100 45.100 0.028 0.000 0.771 1119 G HN 0.543 nan 8.290 nan 0.000 0.551 1120 E N -0.224 119.996 120.200 0.034 0.000 2.047 1120 E HA -0.084 4.266 4.350 -0.000 0.000 0.191 1120 E C 2.819 179.469 176.600 0.083 0.000 0.987 1120 E CA 1.039 57.466 56.400 0.044 0.000 0.799 1120 E CB -0.134 29.573 29.700 0.012 0.000 0.752 1120 E HN 0.281 nan 8.360 nan 0.000 0.449 1121 V N 1.026 120.980 119.914 0.068 0.000 2.332 1121 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 1121 V C 2.275 178.475 176.094 0.177 0.000 1.055 1121 V CA 1.918 64.291 62.300 0.122 0.000 1.038 1121 V CB -0.501 31.365 31.823 0.072 0.000 0.651 1121 V HN 0.189 nan 8.190 nan 0.000 0.450 1122 S N -0.673 115.089 115.700 0.103 0.000 2.368 1122 S HA -0.206 4.264 4.470 -0.000 0.000 0.225 1122 S C 2.037 176.682 174.600 0.074 0.000 1.030 1122 S CA 1.210 59.455 58.200 0.076 0.000 0.999 1122 S CB -0.306 62.922 63.200 0.048 0.000 0.844 1122 S HN 0.590 nan 8.310 nan 0.000 0.459 1123 Q N 0.588 120.441 119.800 0.089 0.000 2.050 1123 Q HA -0.026 4.314 4.340 -0.000 0.000 0.202 1123 Q C 1.878 177.939 176.000 0.102 0.000 0.980 1123 Q CA 1.060 56.911 55.803 0.081 0.000 0.840 1123 Q CB -0.952 27.833 28.738 0.078 0.000 0.898 1123 Q HN 0.597 nan 8.270 nan 0.000 0.424 1124 F N 1.668 121.618 119.950 0.001 0.000 2.087 1124 F HA -0.235 4.292 4.527 -0.000 0.000 0.299 1124 F C 1.933 177.727 175.800 -0.011 0.000 1.100 1124 F CA 1.400 59.398 58.000 -0.004 0.000 1.226 1124 F CB -0.361 38.635 39.000 -0.007 0.000 0.983 1124 F HN -0.007 nan 8.300 nan 0.000 0.479 1125 L N -0.640 120.507 121.223 -0.128 0.000 2.093 1125 L HA -0.186 4.153 4.340 -0.000 0.000 0.208 1125 L C 2.627 179.378 176.870 -0.199 0.000 1.085 1125 L CA 1.793 56.492 54.840 -0.235 0.000 0.755 1125 L CB -1.282 40.745 42.059 -0.053 0.000 0.904 1125 L HN 0.321 nan 8.230 nan 0.000 0.435 1126 T N -1.088 113.406 114.554 -0.100 0.000 2.904 1126 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 1126 T C 1.648 176.294 174.700 -0.090 0.000 1.059 1126 T CA 1.243 63.300 62.100 -0.072 0.000 1.137 1126 T CB -0.053 68.805 68.868 -0.018 0.000 0.879 1126 T HN 0.354 nan 8.240 nan 0.000 0.467 1127 E N 0.105 120.244 120.200 -0.101 0.000 2.077 1127 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 1127 E C 2.415 178.910 176.600 -0.175 0.000 0.989 1127 E CA 0.953 57.304 56.400 -0.082 0.000 0.800 1127 E CB -0.521 29.153 29.700 -0.043 0.000 0.746 1127 E HN 0.659 nan 8.360 nan 0.000 0.452 1128 G N 1.442 110.047 108.800 -0.325 0.000 2.421 1128 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.216 1128 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.216 1128 G C 1.606 176.347 174.900 -0.264 0.000 1.171 1128 G CA 0.596 45.486 45.100 -0.349 0.000 0.775 1128 G HN 0.123 nan 8.290 nan 0.000 0.543 1129 I N 0.511 120.941 120.570 -0.232 0.000 2.208 1129 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 1129 I C 2.674 178.678 176.117 -0.188 0.000 1.097 1129 I CA 0.879 62.082 61.300 -0.162 0.000 1.363 1129 I CB -0.159 37.795 38.000 -0.076 0.000 1.051 1129 I HN 0.169 nan 8.210 nan 0.000 0.413 1130 I N -0.098 120.322 120.570 -0.249 0.000 2.202 1130 I HA -0.332 3.838 4.170 -0.000 0.000 0.242 1130 I C 2.634 178.232 176.117 -0.864 0.000 1.091 1130 I CA 1.529 62.552 61.300 -0.461 0.000 1.368 1130 I CB -0.214 37.599 38.000 -0.312 0.000 1.058 1130 I HN 0.296 nan 8.210 nan 0.000 0.410 1131 M N 0.697 119.990 119.600 -0.512 0.000 2.175 1131 M HA -0.247 4.233 4.480 -0.000 0.000 0.264 1131 M C 2.208 178.365 176.300 -0.239 0.000 1.063 1131 M CA 1.763 56.871 55.300 -0.320 0.000 1.119 1131 M CB -0.038 32.609 32.600 0.078 0.000 1.377 1131 M HN -0.074 nan 8.290 nan 0.000 0.415 1132 K N 0.592 120.871 120.400 -0.202 0.000 2.152 1132 K HA -0.177 4.143 4.320 -0.000 0.000 0.206 1132 K C 1.174 177.725 176.600 -0.081 0.000 1.048 1132 K CA 1.873 58.097 56.287 -0.105 0.000 0.933 1132 K CB -0.209 32.232 32.500 -0.098 0.000 0.721 1132 K HN 0.355 nan 8.250 nan 0.000 0.447 1133 D N -0.681 119.604 120.400 -0.191 0.000 2.269 1133 D HA -0.048 4.592 4.640 -0.000 0.000 0.208 1133 D C -0.224 176.068 176.300 -0.014 0.000 0.963 1133 D CA 0.479 54.396 54.000 -0.138 0.000 0.864 1133 D CB -0.026 40.646 40.800 -0.214 0.000 0.936 1133 D HN 0.039 nan 8.370 nan 0.000 0.505 1134 F N 0.555 120.501 119.950 -0.007 0.000 2.529 1134 F HA 0.243 4.770 4.527 -0.000 0.000 0.365 1134 F C 1.051 176.855 175.800 0.006 0.000 1.102 1134 F CA -0.698 57.334 58.000 0.054 0.000 1.271 1134 F CB 0.783 39.748 39.000 -0.058 0.000 1.120 1134 F HN -0.385 nan 8.300 nan 0.000 0.579 1135 S N 3.241 119.044 115.700 0.171 0.000 2.381 1135 S HA 0.243 4.713 4.470 -0.000 0.000 0.193 1135 S C -1.395 172.999 174.600 -0.343 0.000 1.287 1135 S CA -0.350 57.821 58.200 -0.050 0.000 1.199 1135 S CB -0.357 62.859 63.200 0.027 0.000 1.214 1135 S HN 0.745 nan 8.310 nan 0.000 0.444 1136 H N 3.895 122.629 119.070 -0.559 0.000 2.894 1136 H HA 0.388 4.944 4.556 -0.000 0.000 0.367 1136 H C -2.380 172.762 175.328 -0.310 0.000 1.144 1136 H CA -1.555 54.126 56.048 -0.613 0.000 1.180 1136 H CB 2.582 31.673 29.762 -1.118 0.000 1.758 1136 H HN 0.271 nan 8.280 nan 0.000 0.541 1137 P HA -0.070 nan 4.420 nan 0.000 0.221 1137 P C 0.074 177.320 177.300 -0.090 0.000 1.145 1137 P CA 1.120 64.057 63.100 -0.271 0.000 0.795 1137 P CB 0.400 31.912 31.700 -0.314 0.000 0.775 1138 N N -1.146 117.619 118.700 0.109 0.000 2.203 1138 N HA 0.127 4.867 4.740 -0.000 0.000 0.207 1138 N C -0.609 174.955 175.510 0.089 0.000 1.130 1138 N CA -0.165 52.973 53.050 0.148 0.000 0.861 1138 N CB 0.689 39.296 38.487 0.200 0.000 1.005 1138 N HN -0.074 nan 8.380 nan 0.000 0.507 1139 V N 1.738 121.679 119.914 0.045 0.000 2.448 1139 V HA 0.257 4.377 4.120 -0.000 0.000 0.295 1139 V C -0.227 175.915 176.094 0.080 0.000 1.025 1139 V CA -1.036 61.274 62.300 0.016 0.000 0.859 1139 V CB 1.846 33.566 31.823 -0.171 0.000 0.988 1139 V HN 0.105 nan 8.190 nan 0.000 0.431 1140 L N 4.917 126.247 121.223 0.178 0.000 2.540 1140 L HA 0.178 4.518 4.340 -0.000 0.000 0.276 1140 L C 0.709 177.668 176.870 0.149 0.000 1.212 1140 L CA 1.183 56.095 54.840 0.121 0.000 0.893 1140 L CB 0.810 42.915 42.059 0.076 0.000 1.138 1140 L HN 0.762 nan 8.230 nan 0.000 0.491 1141 S N 4.723 120.456 115.700 0.055 0.000 2.601 1141 S HA 0.485 4.955 4.470 -0.000 0.000 0.271 1141 S C -0.532 174.084 174.600 0.026 0.000 1.305 1141 S CA -0.545 57.683 58.200 0.047 0.000 1.022 1141 S CB 1.213 64.413 63.200 0.001 0.000 0.940 1141 S HN 0.576 nan 8.310 nan 0.000 0.525 1142 L N 3.323 124.560 121.223 0.023 0.000 2.296 1142 L HA 0.448 4.788 4.340 -0.000 0.000 0.286 1142 L C 0.283 177.136 176.870 -0.028 0.000 1.023 1142 L CA 0.046 54.876 54.840 -0.017 0.000 0.812 1142 L CB 0.550 42.589 42.059 -0.034 0.000 1.223 1142 L HN 0.735 nan 8.230 nan 0.000 0.421 1143 L N 4.414 125.616 121.223 -0.035 0.000 2.162 1143 L HA 0.444 4.784 4.340 -0.000 0.000 0.205 1143 L C 1.063 177.910 176.870 -0.038 0.000 1.086 1143 L CA 0.740 55.561 54.840 -0.032 0.000 0.778 1143 L CB -0.360 41.681 42.059 -0.030 0.000 0.928 1143 L HN 0.874 nan 8.230 nan 0.000 0.446 1144 G N -0.162 108.611 108.800 -0.046 0.000 2.324 1144 G HA2 0.315 4.275 3.960 -0.000 0.000 0.293 1144 G HA3 0.315 4.275 3.960 -0.000 0.000 0.293 1144 G C -1.825 173.050 174.900 -0.041 0.000 1.297 1144 G CA -0.471 44.594 45.100 -0.059 0.000 0.853 1144 G HN 0.044 nan 8.290 nan 0.000 0.535 1145 I N -2.776 117.770 120.570 -0.039 0.000 2.689 1145 I HA 0.808 4.978 4.170 -0.000 0.000 0.299 1145 I C -0.637 175.504 176.117 0.040 0.000 1.059 1145 I CA -1.165 60.149 61.300 0.024 0.000 1.055 1145 I CB 2.254 40.269 38.000 0.026 0.000 1.243 1145 I HN 0.677 nan 8.210 nan 0.000 0.425 1146 C N 6.732 126.079 119.300 0.077 0.000 2.316 1146 C HA 0.628 5.088 4.460 -0.000 0.000 0.324 1146 C C -0.228 174.807 174.990 0.074 0.000 1.226 1146 C CA -0.517 58.535 59.018 0.058 0.000 1.450 1146 C CB -0.013 27.753 27.740 0.044 0.000 2.123 1146 C HN 0.765 nan 8.230 nan 0.000 0.454 1147 L N 7.755 129.015 121.223 0.061 0.000 2.259 1147 L HA 0.527 4.867 4.340 -0.000 0.000 0.288 1147 L C 0.500 177.389 176.870 0.032 0.000 1.051 1147 L CA -0.103 54.770 54.840 0.055 0.000 0.824 1147 L CB 0.333 42.427 42.059 0.059 0.000 1.206 1147 L HN 0.690 nan 8.230 nan 0.000 0.429 1148 R N 1.330 121.845 120.500 0.025 0.000 2.668 1148 R HA 0.530 4.870 4.340 -0.000 0.000 0.279 1148 R C 0.392 176.694 176.300 0.004 0.000 0.976 1148 R CA -0.835 55.274 56.100 0.015 0.000 0.978 1148 R CB 1.274 31.585 30.300 0.020 0.000 1.133 1148 R HN 0.321 nan 8.270 nan 0.000 0.484 1149 S N 0.404 116.104 115.700 -0.000 0.000 2.368 1149 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 1149 S C 0.823 175.415 174.600 -0.012 0.000 1.029 1149 S CA 1.835 60.032 58.200 -0.005 0.000 0.988 1149 S CB -0.093 63.104 63.200 -0.005 0.000 0.838 1149 S HN 0.798 nan 8.310 nan 0.000 0.462 1150 E N 0.279 120.468 120.200 -0.017 0.000 2.873 1150 E HA 0.563 4.913 4.350 -0.000 0.000 0.232 1150 E C -0.141 176.437 176.600 -0.037 0.000 1.123 1150 E CA -0.253 56.130 56.400 -0.027 0.000 0.809 1150 E CB 0.481 30.164 29.700 -0.029 0.000 1.366 1150 E HN 0.564 nan 8.360 nan 0.000 0.400 1151 G N 0.302 109.079 108.800 -0.037 0.000 2.352 1151 G HA2 0.492 4.452 3.960 -0.000 0.000 0.305 1151 G HA3 0.492 4.452 3.960 -0.000 0.000 0.305 1151 G C 0.092 174.970 174.900 -0.037 0.000 1.537 1151 G CA -0.026 45.046 45.100 -0.046 0.000 0.959 1151 G HN 1.293 nan 8.290 nan 0.000 0.668 1152 S N 0.999 116.672 115.700 -0.045 0.000 2.584 1152 S HA 0.675 5.145 4.470 -0.000 0.000 0.270 1152 S C -1.950 172.626 174.600 -0.041 0.000 1.346 1152 S CA -0.718 57.447 58.200 -0.059 0.000 1.018 1152 S CB 1.262 64.421 63.200 -0.068 0.000 0.899 1152 S HN 0.622 nan 8.310 nan 0.000 0.542 1153 P HA 0.260 nan 4.420 nan 0.000 0.269 1153 P C -0.964 176.349 177.300 0.021 0.000 1.215 1153 P CA -0.282 62.796 63.100 -0.038 0.000 0.780 1153 P CB 0.257 31.869 31.700 -0.146 0.000 0.898 1154 L N 1.349 122.631 121.223 0.098 0.000 2.346 1154 L HA 0.450 4.790 4.340 -0.000 0.000 0.276 1154 L C -0.191 176.764 176.870 0.142 0.000 1.006 1154 L CA -1.136 53.772 54.840 0.114 0.000 0.817 1154 L CB 2.123 44.239 42.059 0.095 0.000 1.272 1154 L HN 0.051 nan 8.230 nan 0.000 0.421 1155 V N 3.827 123.818 119.914 0.128 0.000 2.370 1155 V HA 0.346 4.466 4.120 -0.000 0.000 0.283 1155 V C -0.078 176.036 176.094 0.034 0.000 1.023 1155 V CA -0.640 61.722 62.300 0.103 0.000 0.857 1155 V CB 1.838 33.733 31.823 0.121 0.000 0.985 1155 V HN 0.415 nan 8.190 nan 0.000 0.443 1156 V N 7.289 127.207 119.914 0.008 0.000 2.347 1156 V HA 0.535 4.655 4.120 -0.000 0.000 0.280 1156 V C -0.193 175.877 176.094 -0.040 0.000 1.021 1156 V CA -0.332 61.959 62.300 -0.017 0.000 0.847 1156 V CB 1.136 32.951 31.823 -0.013 0.000 0.990 1156 V HN 0.650 nan 8.190 nan 0.000 0.444 1157 L N 6.266 127.453 121.223 -0.060 0.000 2.354 1157 L HA 0.627 4.967 4.340 -0.000 0.000 0.264 1157 L C -2.625 174.193 176.870 -0.086 0.000 1.008 1157 L CA -2.185 52.605 54.840 -0.083 0.000 0.819 1157 L CB 2.341 44.324 42.059 -0.126 0.000 1.339 1157 L HN 0.348 nan 8.230 nan 0.000 0.420 1158 P HA -0.050 nan 4.420 nan 0.000 0.265 1158 P C -1.163 176.072 177.300 -0.108 0.000 1.193 1158 P CA 0.048 63.097 63.100 -0.085 0.000 0.765 1158 P CB 0.161 31.814 31.700 -0.078 0.000 0.823 1159 Y N 3.219 123.361 120.300 -0.264 0.000 2.610 1159 Y HA 0.176 4.725 4.550 -0.000 0.000 0.332 1159 Y C 0.237 176.012 175.900 -0.208 0.000 1.201 1159 Y CA 0.002 57.923 58.100 -0.299 0.000 1.465 1159 Y CB 0.465 38.625 38.460 -0.500 0.000 1.283 1159 Y HN 0.228 nan 8.280 nan 0.000 0.563 1160 M N 7.660 126.732 119.600 -0.880 0.000 2.065 1160 M HA 0.199 4.679 4.480 -0.000 0.000 0.332 1160 M C 0.803 176.563 176.300 -0.900 0.000 0.988 1160 M CA -0.511 54.392 55.300 -0.661 0.000 0.944 1160 M CB 0.822 33.147 32.600 -0.458 0.000 1.357 1160 M HN 0.805 nan 8.290 nan 0.000 0.388 1161 K N 1.338 121.285 120.400 -0.754 0.000 2.089 1161 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 1161 K C 0.529 176.778 176.600 -0.584 0.000 1.048 1161 K CA 1.634 57.539 56.287 -0.636 0.000 0.926 1161 K CB 0.153 32.356 32.500 -0.494 0.000 0.714 1161 K HN 0.633 nan 8.250 nan 0.000 0.448 1162 H N -0.577 118.315 119.070 -0.296 0.000 2.505 1162 H HA 0.152 4.708 4.556 -0.000 0.000 0.289 1162 H C 1.140 176.396 175.328 -0.120 0.000 1.052 1162 H CA 0.445 56.394 56.048 -0.165 0.000 1.156 1162 H CB 0.357 29.911 29.762 -0.347 0.000 1.507 1162 H HN 0.505 nan 8.280 nan 0.000 0.548 1163 G N 2.128 110.847 108.800 -0.136 0.000 2.566 1163 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.280 1163 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.280 1163 G C -0.119 174.743 174.900 -0.063 0.000 1.225 1163 G CA 0.334 45.379 45.100 -0.091 0.000 0.966 1163 G HN 0.565 nan 8.290 nan 0.000 0.560 1164 D N -0.463 119.960 120.400 0.039 0.000 2.294 1164 D HA 0.534 5.174 4.640 -0.000 0.000 0.250 1164 D C 1.389 177.709 176.300 0.033 0.000 1.058 1164 D CA -0.585 53.454 54.000 0.064 0.000 0.950 1164 D CB 1.178 42.101 40.800 0.206 0.000 1.158 1164 D HN 0.447 nan 8.370 nan 0.000 0.453 1165 L N 1.108 122.319 121.223 -0.020 0.000 2.083 1165 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 1165 L C 2.314 179.207 176.870 0.037 0.000 1.083 1165 L CA 1.635 56.424 54.840 -0.085 0.000 0.752 1165 L CB -0.809 41.170 42.059 -0.135 0.000 0.899 1165 L HN 0.666 nan 8.230 nan 0.000 0.433 1166 R N -0.589 119.954 120.500 0.072 0.000 2.073 1166 R HA -0.159 4.181 4.340 -0.000 0.000 0.234 1166 R C 2.023 178.383 176.300 0.101 0.000 1.134 1166 R CA 2.036 58.192 56.100 0.093 0.000 0.952 1166 R CB -0.276 30.075 30.300 0.084 0.000 0.850 1166 R HN 0.541 nan 8.270 nan 0.000 0.433 1167 N N -0.655 118.111 118.700 0.108 0.000 2.270 1167 N HA -0.144 4.596 4.740 -0.000 0.000 0.181 1167 N C 1.545 177.152 175.510 0.162 0.000 1.016 1167 N CA 0.773 53.894 53.050 0.118 0.000 0.870 1167 N CB -0.110 38.445 38.487 0.114 0.000 0.979 1167 N HN 0.123 nan 8.380 nan 0.000 0.431 1168 F N 2.513 122.478 119.950 0.025 0.000 2.134 1168 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 1168 F C 1.973 177.812 175.800 0.066 0.000 1.097 1168 F CA 1.146 59.146 58.000 0.000 0.000 1.264 1168 F CB -0.109 38.754 39.000 -0.228 0.000 1.001 1168 F HN -0.006 nan 8.300 nan 0.000 0.479 1169 I N -2.284 118.360 120.570 0.123 0.000 3.419 1169 I HA 0.059 4.229 4.170 -0.000 0.000 0.286 1169 I C 2.074 178.202 176.117 0.019 0.000 1.268 1169 I CA 0.629 61.964 61.300 0.059 0.000 1.414 1169 I CB -0.445 37.621 38.000 0.111 0.000 1.074 1169 I HN 0.015 nan 8.210 nan 0.000 0.457 1170 R N 2.187 122.710 120.500 0.038 0.000 2.127 1170 R HA 0.065 4.405 4.340 -0.000 0.000 0.217 1170 R C 0.466 176.768 176.300 0.003 0.000 1.074 1170 R CA 0.417 56.534 56.100 0.029 0.000 0.991 1170 R CB -0.147 30.181 30.300 0.048 0.000 0.895 1170 R HN 0.576 nan 8.270 nan 0.000 0.450 1171 N N 1.113 119.802 118.700 -0.017 0.000 2.488 1171 N HA -0.040 4.700 4.740 -0.000 0.000 0.274 1171 N C -0.035 175.403 175.510 -0.120 0.000 1.111 1171 N CA 0.103 53.109 53.050 -0.074 0.000 0.974 1171 N CB 1.586 40.006 38.487 -0.113 0.000 1.089 1171 N HN -0.161 nan 8.380 nan 0.000 0.465 1172 E N 1.127 121.272 120.200 -0.091 0.000 2.409 1172 E HA -0.051 4.299 4.350 -0.000 0.000 0.198 1172 E C 0.893 177.427 176.600 -0.110 0.000 1.024 1172 E CA 0.872 57.230 56.400 -0.070 0.000 0.861 1172 E CB -0.136 29.542 29.700 -0.037 0.000 0.788 1172 E HN 0.704 nan 8.360 nan 0.000 0.521 1173 T N -0.464 113.962 114.554 -0.214 0.000 2.915 1173 T HA -0.083 4.267 4.350 -0.000 0.000 0.269 1173 T C 0.152 174.704 174.700 -0.247 0.000 1.071 1173 T CA 0.897 62.841 62.100 -0.260 0.000 1.132 1173 T CB -0.269 68.382 68.868 -0.362 0.000 0.878 1173 T HN 0.318 nan 8.240 nan 0.000 0.479 1174 H N 1.912 120.908 119.070 -0.124 0.000 2.473 1174 H HA 0.362 4.918 4.556 -0.000 0.000 0.327 1174 H C 0.289 175.611 175.328 -0.010 0.000 1.105 1174 H CA -0.845 55.128 56.048 -0.125 0.000 1.280 1174 H CB 0.532 29.924 29.762 -0.617 0.000 1.450 1174 H HN 0.194 nan 8.280 nan 0.000 0.492 1175 N N 3.441 122.299 118.700 0.263 0.000 2.844 1175 N HA 0.151 4.891 4.740 -0.000 0.000 0.268 1175 N C -3.197 172.523 175.510 0.350 0.000 1.574 1175 N CA -1.695 51.462 53.050 0.178 0.000 0.838 1175 N CB 1.190 39.685 38.487 0.012 0.000 1.177 1175 N HN 0.385 nan 8.380 nan 0.000 0.495 1176 P HA 0.036 nan 4.420 nan 0.000 0.271 1176 P C 0.665 178.031 177.300 0.111 0.000 1.220 1176 P CA 0.307 63.617 63.100 0.350 0.000 0.768 1176 P CB 0.813 32.678 31.700 0.275 0.000 0.848 1177 T N -0.828 113.748 114.554 0.037 0.000 2.754 1177 T HA 0.108 4.458 4.350 -0.000 0.000 0.286 1177 T C 1.598 176.237 174.700 -0.100 0.000 0.997 1177 T CA -0.677 61.399 62.100 -0.041 0.000 0.982 1177 T CB -0.118 68.649 68.868 -0.168 0.000 1.027 1177 T HN 0.081 nan 8.240 nan 0.000 0.529 1178 V N 1.029 120.901 119.914 -0.069 0.000 2.324 1178 V HA -0.185 3.935 4.120 -0.000 0.000 0.250 1178 V C 2.851 178.739 176.094 -0.343 0.000 1.060 1178 V CA 2.314 64.503 62.300 -0.185 0.000 1.042 1178 V CB -0.976 30.722 31.823 -0.207 0.000 0.650 1178 V HN 0.979 nan 8.190 nan 0.000 0.450 1179 K N -0.334 119.879 120.400 -0.312 0.000 2.097 1179 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 1179 K C 1.900 178.425 176.600 -0.124 0.000 1.050 1179 K CA 1.695 57.830 56.287 -0.254 0.000 0.938 1179 K CB -0.225 32.147 32.500 -0.214 0.000 0.718 1179 K HN 0.483 nan 8.250 nan 0.000 0.442 1180 D N 0.989 121.266 120.400 -0.206 0.000 2.104 1180 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 1180 D C 2.007 177.930 176.300 -0.629 0.000 0.994 1180 D CA 1.212 54.984 54.000 -0.381 0.000 0.830 1180 D CB -0.139 40.525 40.800 -0.226 0.000 0.959 1180 D HN 0.251 nan 8.370 nan 0.000 0.452 1181 L N 0.474 121.504 121.223 -0.321 0.000 2.093 1181 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 1181 L C 2.573 179.389 176.870 -0.090 0.000 1.085 1181 L CA 0.560 55.311 54.840 -0.148 0.000 0.755 1181 L CB -0.284 41.710 42.059 -0.109 0.000 0.904 1181 L HN -0.004 nan 8.230 nan 0.000 0.435 1182 I N -0.083 120.423 120.570 -0.108 0.000 2.252 1182 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 1182 I C 2.668 178.781 176.117 -0.006 0.000 1.102 1182 I CA 1.347 62.637 61.300 -0.017 0.000 1.385 1182 I CB -0.904 37.102 38.000 0.009 0.000 1.064 1182 I HN 0.258 nan 8.210 nan 0.000 0.414 1183 G N 0.814 109.577 108.800 -0.061 0.000 2.440 1183 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.218 1183 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.218 1183 G C 1.645 176.464 174.900 -0.135 0.000 1.154 1183 G CA 0.623 45.557 45.100 -0.276 0.000 0.767 1183 G HN 0.318 nan 8.290 nan 0.000 0.552 1184 F N 1.166 121.109 119.950 -0.012 0.000 2.134 1184 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 1184 F C 3.002 178.825 175.800 0.038 0.000 1.097 1184 F CA 0.374 58.375 58.000 0.002 0.000 1.264 1184 F CB -0.215 38.788 39.000 0.005 0.000 1.001 1184 F HN 0.242 nan 8.300 nan 0.000 0.479 1185 G N 0.181 109.115 108.800 0.223 0.000 2.422 1185 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 1185 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 1185 G C 1.498 176.585 174.900 0.312 0.000 1.146 1185 G CA 0.644 45.875 45.100 0.218 0.000 0.769 1185 G HN 0.241 nan 8.290 nan 0.000 0.547 1186 L N 0.367 121.673 121.223 0.138 0.000 2.093 1186 L HA -0.001 4.339 4.340 -0.000 0.000 0.208 1186 L C 2.814 179.714 176.870 0.050 0.000 1.085 1186 L CA 1.792 56.664 54.840 0.053 0.000 0.755 1186 L CB -0.560 41.392 42.059 -0.178 0.000 0.904 1186 L HN 0.297 nan 8.230 nan 0.000 0.435 1187 Q N -1.232 118.604 119.800 0.061 0.000 2.079 1187 Q HA -0.151 4.189 4.340 -0.000 0.000 0.200 1187 Q C 2.185 178.250 176.000 0.107 0.000 0.974 1187 Q CA 1.773 57.623 55.803 0.079 0.000 0.840 1187 Q CB -0.266 28.535 28.738 0.106 0.000 0.898 1187 Q HN 0.460 nan 8.270 nan 0.000 0.430 1188 V N 1.253 121.275 119.914 0.181 0.000 2.332 1188 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 1188 V C 2.328 178.476 176.094 0.090 0.000 1.055 1188 V CA 1.956 64.383 62.300 0.211 0.000 1.038 1188 V CB -1.032 31.020 31.823 0.382 0.000 0.651 1188 V HN 0.391 nan 8.190 nan 0.000 0.450 1189 A N -0.476 122.397 122.820 0.088 0.000 1.933 1189 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 1189 A C 2.302 179.771 177.584 -0.192 0.000 1.175 1189 A CA 1.882 53.768 52.037 -0.252 0.000 0.628 1189 A CB -0.413 18.474 19.000 -0.189 0.000 0.814 1189 A HN 0.554 nan 8.150 nan 0.000 0.444 1190 K N -0.816 119.539 120.400 -0.074 0.000 2.057 1190 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 1190 K C 2.144 178.600 176.600 -0.241 0.000 1.049 1190 K CA 1.136 57.388 56.287 -0.059 0.000 0.931 1190 K CB -0.440 32.111 32.500 0.084 0.000 0.714 1190 K HN 0.466 nan 8.250 nan 0.000 0.440 1191 G N 1.025 109.699 108.800 -0.210 0.000 2.402 1191 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 1191 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 1191 G C 1.450 176.131 174.900 -0.366 0.000 1.162 1191 G CA 0.519 45.424 45.100 -0.325 0.000 0.777 1191 G HN 0.063 nan 8.290 nan 0.000 0.539 1192 M N 0.466 119.796 119.600 -0.449 0.000 2.254 1192 M HA 0.080 4.560 4.480 -0.000 0.000 0.265 1192 M C 2.273 178.133 176.300 -0.734 0.000 1.066 1192 M CA 0.954 55.784 55.300 -0.783 0.000 1.123 1192 M CB -0.753 30.945 32.600 -1.503 0.000 1.388 1192 M HN 0.316 nan 8.290 nan 0.000 0.425 1193 K N -0.378 119.747 120.400 -0.457 0.000 2.026 1193 K HA -0.237 4.083 4.320 -0.000 0.000 0.208 1193 K C 2.141 178.631 176.600 -0.182 0.000 1.048 1193 K CA 1.521 57.702 56.287 -0.176 0.000 0.929 1193 K CB -0.362 32.089 32.500 -0.082 0.000 0.713 1193 K HN 0.238 nan 8.250 nan 0.000 0.439 1194 Y N 1.511 121.565 120.300 -0.409 0.000 2.128 1194 Y HA -0.215 4.335 4.550 -0.000 0.000 0.284 1194 Y C 1.785 177.480 175.900 -0.341 0.000 1.154 1194 Y CA 1.689 59.543 58.100 -0.409 0.000 1.149 1194 Y CB -0.198 37.829 38.460 -0.721 0.000 0.976 1194 Y HN 0.019 nan 8.280 nan 0.000 0.505 1195 L N -0.352 120.652 121.223 -0.366 0.000 2.083 1195 L HA -0.210 4.130 4.340 -0.000 0.000 0.209 1195 L C 2.774 179.518 176.870 -0.211 0.000 1.083 1195 L CA 1.102 55.700 54.840 -0.404 0.000 0.752 1195 L CB -0.978 40.902 42.059 -0.297 0.000 0.899 1195 L HN 0.381 nan 8.230 nan 0.000 0.433 1196 A N 0.166 122.892 122.820 -0.156 0.000 1.898 1196 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 1196 A C 2.502 180.046 177.584 -0.066 0.000 1.181 1196 A CA 1.791 53.810 52.037 -0.030 0.000 0.620 1196 A CB -0.672 18.381 19.000 0.088 0.000 0.819 1196 A HN 0.513 nan 8.150 nan 0.000 0.442 1197 S N -0.621 114.990 115.700 -0.148 0.000 2.469 1197 S HA -0.101 4.369 4.470 -0.000 0.000 0.238 1197 S C 1.418 175.914 174.600 -0.173 0.000 0.998 1197 S CA 1.358 59.466 58.200 -0.153 0.000 0.957 1197 S CB -0.160 62.928 63.200 -0.187 0.000 0.764 1197 S HN 0.426 nan 8.310 nan 0.000 0.514 1198 K N 0.851 121.118 120.400 -0.222 0.000 2.374 1198 K HA 0.212 4.532 4.320 -0.000 0.000 0.196 1198 K C -0.022 176.589 176.600 0.017 0.000 1.023 1198 K CA 0.017 56.225 56.287 -0.133 0.000 1.103 1198 K CB 0.121 32.508 32.500 -0.188 0.000 0.848 1198 K HN 0.337 nan 8.250 nan 0.000 0.528 1199 K N 0.141 120.556 120.400 0.025 0.000 3.218 1199 K HA -0.196 4.124 4.320 -0.000 0.000 0.276 1199 K C -0.531 176.156 176.600 0.145 0.000 1.173 1199 K CA 0.442 56.771 56.287 0.070 0.000 0.812 1199 K CB -2.334 30.201 32.500 0.058 0.000 1.275 1199 K HN 0.162 nan 8.250 nan 0.000 0.504 1200 F N 0.739 120.675 119.950 -0.023 0.000 2.449 1200 F HA 0.373 4.899 4.527 -0.000 0.000 0.342 1200 F C 0.139 175.946 175.800 0.013 0.000 1.127 1200 F CA -0.949 57.056 58.000 0.007 0.000 0.975 1200 F CB 1.258 40.254 39.000 -0.007 0.000 1.146 1200 F HN -0.144 nan 8.300 nan 0.000 0.444 1201 V N 6.922 126.520 119.914 -0.526 0.000 2.432 1201 V HA 0.072 4.192 4.120 -0.000 0.000 0.275 1201 V C 1.152 176.932 176.094 -0.523 0.000 1.043 1201 V CA -0.317 61.794 62.300 -0.315 0.000 0.925 1201 V CB 0.938 32.692 31.823 -0.115 0.000 0.985 1201 V HN 0.863 nan 8.190 nan 0.000 0.466 1202 H N 4.852 123.810 119.070 -0.187 0.000 2.307 1202 H HA -0.022 4.534 4.556 -0.000 0.000 0.303 1202 H C 1.968 177.309 175.328 0.021 0.000 1.073 1202 H CA 2.100 58.163 56.048 0.023 0.000 1.338 1202 H CB 0.323 30.181 29.762 0.160 0.000 1.389 1202 H HN 0.745 nan 8.280 nan 0.000 0.503 1203 R N -0.956 119.712 120.500 0.280 0.000 3.590 1203 R HA -0.168 4.172 4.340 -0.000 0.000 0.463 1203 R C -0.570 175.829 176.300 0.164 0.000 0.657 1203 R CA 1.403 57.559 56.100 0.094 0.000 1.512 1203 R CB -1.246 28.927 30.300 -0.211 0.000 2.154 1203 R HN 0.392 nan 8.270 nan 0.000 0.409 1204 D N 0.218 120.860 120.400 0.404 0.000 2.992 1204 D HA 0.159 4.799 4.640 -0.000 0.000 0.372 1204 D C -1.241 175.135 176.300 0.127 0.000 1.374 1204 D CA -0.364 53.781 54.000 0.242 0.000 0.769 1204 D CB 0.360 41.255 40.800 0.159 0.000 1.215 1204 D HN 0.076 nan 8.370 nan 0.000 0.473 1205 L N 1.645 122.814 121.223 -0.090 0.000 2.410 1205 L HA 0.613 4.953 4.340 -0.000 0.000 0.273 1205 L C -0.376 176.501 176.870 0.011 0.000 1.144 1205 L CA 0.318 55.008 54.840 -0.250 0.000 0.863 1205 L CB 0.465 42.452 42.059 -0.121 0.000 1.140 1205 L HN 0.247 nan 8.230 nan 0.000 0.463 1206 A N 3.811 126.619 122.820 -0.020 0.000 2.597 1206 A HA 0.681 5.001 4.320 -0.000 0.000 0.292 1206 A C 0.399 178.031 177.584 0.079 0.000 1.057 1206 A CA -0.129 51.886 52.037 -0.036 0.000 0.674 1206 A CB 0.397 19.014 19.000 -0.639 0.000 1.278 1206 A HN 0.956 nan 8.150 nan 0.000 0.416 1207 A N 0.754 123.681 122.820 0.178 0.000 1.972 1207 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 1207 A C 1.940 179.577 177.584 0.088 0.000 1.169 1207 A CA 1.942 54.066 52.037 0.145 0.000 0.635 1207 A CB -0.588 18.523 19.000 0.185 0.000 0.810 1207 A HN 1.102 nan 8.150 nan 0.000 0.446 1208 R N -0.819 119.693 120.500 0.019 0.000 2.193 1208 R HA -0.036 4.304 4.340 -0.000 0.000 0.229 1208 R C 0.249 176.631 176.300 0.137 0.000 1.110 1208 R CA 1.567 57.649 56.100 -0.030 0.000 0.988 1208 R CB -0.413 29.699 30.300 -0.313 0.000 0.871 1208 R HN 0.326 nan 8.270 nan 0.000 0.458 1209 N N -0.027 118.768 118.700 0.159 0.000 2.251 1209 N HA 0.125 4.865 4.740 -0.000 0.000 0.217 1209 N C -0.996 174.709 175.510 0.325 0.000 1.124 1209 N CA -0.095 53.148 53.050 0.322 0.000 0.843 1209 N CB 0.657 39.285 38.487 0.235 0.000 1.024 1209 N HN 0.146 nan 8.380 nan 0.000 0.501 1210 C N 1.502 120.931 119.300 0.216 0.000 2.379 1210 C HA 0.569 5.029 4.460 -0.000 0.000 0.323 1210 C C 0.043 175.065 174.990 0.054 0.000 1.262 1210 C CA -0.929 58.170 59.018 0.135 0.000 1.581 1210 C CB 0.840 28.637 27.740 0.095 0.000 2.221 1210 C HN 0.178 nan 8.230 nan 0.000 0.497 1211 M N 3.025 122.618 119.600 -0.012 0.000 2.598 1211 M HA 0.625 5.105 4.480 -0.000 0.000 0.317 1211 M C -0.793 175.404 176.300 -0.172 0.000 1.201 1211 M CA -0.977 54.259 55.300 -0.106 0.000 0.971 1211 M CB 1.228 33.731 32.600 -0.161 0.000 1.657 1211 M HN 0.410 nan 8.290 nan 0.000 0.470 1212 L N 2.863 123.943 121.223 -0.239 0.000 2.372 1212 L HA 0.411 4.751 4.340 -0.000 0.000 0.274 1212 L C -0.532 176.175 176.870 -0.273 0.000 0.988 1212 L CA -0.304 54.351 54.840 -0.309 0.000 0.833 1212 L CB 1.009 42.750 42.059 -0.530 0.000 1.236 1212 L HN 0.760 nan 8.230 nan 0.000 0.410 1213 D N 2.993 123.252 120.400 -0.234 0.000 2.478 1213 D HA 0.093 4.733 4.640 -0.000 0.000 0.274 1213 D C 0.864 177.015 176.300 -0.248 0.000 1.234 1213 D CA -0.050 53.811 54.000 -0.232 0.000 1.069 1213 D CB 0.394 41.092 40.800 -0.169 0.000 1.113 1213 D HN 0.577 nan 8.370 nan 0.000 0.571 1214 E N 0.402 120.467 120.200 -0.225 0.000 2.153 1214 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 1214 E C 0.898 177.325 176.600 -0.289 0.000 0.988 1214 E CA 1.105 57.362 56.400 -0.238 0.000 0.811 1214 E CB -0.400 29.228 29.700 -0.119 0.000 0.746 1214 E HN 0.535 nan 8.360 nan 0.000 0.466 1215 K N 0.067 120.377 120.400 -0.151 0.000 2.522 1215 K HA 0.083 4.403 4.320 -0.000 0.000 0.194 1215 K C -0.508 176.160 176.600 0.113 0.000 1.026 1215 K CA -0.068 56.218 56.287 -0.002 0.000 1.119 1215 K CB -0.455 32.061 32.500 0.028 0.000 0.856 1215 K HN 0.003 nan 8.250 nan 0.000 0.513 1216 F N 0.187 120.148 119.950 0.018 0.000 3.090 1216 F HA -0.265 4.262 4.527 -0.000 0.000 0.282 1216 F C -0.121 175.682 175.800 0.004 0.000 0.923 1216 F CA 0.511 58.487 58.000 -0.041 0.000 0.977 1216 F CB -2.670 36.359 39.000 0.049 0.000 0.954 1216 F HN -0.080 nan 8.300 nan 0.000 0.695 1217 T N 0.803 115.389 114.554 0.053 0.000 2.780 1217 T HA 0.526 4.876 4.350 -0.000 0.000 0.294 1217 T C 0.473 175.158 174.700 -0.024 0.000 0.949 1217 T CA -0.583 61.536 62.100 0.032 0.000 1.074 1217 T CB 1.442 70.306 68.868 -0.007 0.000 0.910 1217 T HN 0.031 nan 8.240 nan 0.000 0.501 1218 V N 5.383 125.304 119.914 0.012 0.000 2.530 1218 V HA 0.251 4.371 4.120 -0.000 0.000 0.282 1218 V C 0.381 176.475 176.094 0.001 0.000 1.048 1218 V CA -0.403 61.881 62.300 -0.027 0.000 0.997 1218 V CB 0.419 32.256 31.823 0.024 0.000 0.987 1218 V HN 0.667 nan 8.190 nan 0.000 0.477 1219 K N 4.172 124.564 120.400 -0.014 0.000 2.394 1219 K HA 0.443 4.763 4.320 -0.000 0.000 0.260 1219 K C -0.794 175.860 176.600 0.089 0.000 0.967 1219 K CA -0.702 55.599 56.287 0.024 0.000 0.855 1219 K CB 1.972 34.461 32.500 -0.019 0.000 1.101 1219 K HN 0.409 nan 8.250 nan 0.000 0.433 1220 V N 2.728 122.732 119.914 0.149 0.000 2.529 1220 V HA 0.224 4.344 4.120 -0.000 0.000 0.292 1220 V C 0.525 176.876 176.094 0.429 0.000 1.028 1220 V CA 0.212 62.675 62.300 0.272 0.000 1.074 1220 V CB 0.609 32.575 31.823 0.239 0.000 0.958 1220 V HN 0.912 nan 8.190 nan 0.000 0.481 1221 A N 3.719 126.793 122.820 0.424 0.000 2.475 1221 A HA 0.723 5.043 4.320 -0.000 0.000 0.281 1221 A C 0.361 178.055 177.584 0.183 0.000 1.263 1221 A CA -0.129 52.035 52.037 0.211 0.000 0.776 1221 A CB 0.883 19.913 19.000 0.050 0.000 1.347 1221 A HN 0.700 nan 8.150 nan 0.000 0.443 1222 D N -1.665 118.655 120.400 -0.132 0.000 2.945 1222 D HA -0.154 4.486 4.640 -0.000 0.000 0.225 1222 D C -0.070 176.131 176.300 -0.166 0.000 1.158 1222 D CA 1.586 55.557 54.000 -0.049 0.000 0.805 1222 D CB -1.716 39.174 40.800 0.149 0.000 1.098 1222 D HN 0.598 nan 8.370 nan 0.000 0.426 1247 V N -0.710 119.325 119.914 0.201 0.000 2.469 1247 V HA -0.160 3.960 4.120 -0.000 0.000 0.251 1247 V C 1.862 178.009 176.094 0.089 0.000 1.064 1247 V CA 1.730 64.097 62.300 0.112 0.000 1.066 1247 V CB -0.836 31.005 31.823 0.030 0.000 0.667 1247 V HN 0.148 nan 8.190 nan 0.000 0.461 1248 K N -1.129 119.379 120.400 0.181 0.000 2.486 1248 K HA 0.024 4.344 4.320 -0.000 0.000 0.194 1248 K C 1.587 178.218 176.600 0.051 0.000 1.033 1248 K CA 1.041 57.348 56.287 0.033 0.000 1.004 1248 K CB -0.106 32.384 32.500 -0.017 0.000 0.798 1248 K HN 0.673 nan 8.250 nan 0.000 0.495 1249 W N 0.146 121.531 121.300 0.141 0.000 3.103 1249 W HA 0.256 4.916 4.660 -0.000 0.000 0.325 1249 W C 0.190 176.832 176.519 0.205 0.000 1.170 1249 W CA -0.440 57.047 57.345 0.237 0.000 1.712 1249 W CB 0.358 29.942 29.460 0.207 0.000 1.068 1249 W HN -0.010 nan 8.180 nan 0.000 0.592 1250 M N 0.541 120.258 119.600 0.195 0.000 2.249 1250 M HA 0.367 4.847 4.480 -0.000 0.000 0.351 1250 M C 0.669 176.563 176.300 -0.678 0.000 1.180 1250 M CA -0.183 55.080 55.300 -0.062 0.000 1.127 1250 M CB 1.272 33.854 32.600 -0.030 0.000 1.546 1250 M HN -0.253 nan 8.290 nan 0.000 0.461 1251 A N 2.716 125.084 122.820 -0.754 0.000 2.425 1251 A HA 0.165 4.485 4.320 -0.000 0.000 0.242 1251 A C 1.034 178.026 177.584 -0.985 0.000 1.077 1251 A CA -0.323 50.968 52.037 -1.243 0.000 0.781 1251 A CB 0.186 18.940 19.000 -0.410 0.000 1.020 1251 A HN 1.084 nan 8.150 nan 0.000 0.494 1252 L N 0.416 120.996 121.223 -1.071 0.000 2.012 1252 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 1252 L C 2.890 179.564 176.870 -0.327 0.000 1.073 1252 L CA 2.180 56.700 54.840 -0.533 0.000 0.748 1252 L CB -0.333 41.560 42.059 -0.277 0.000 0.891 1252 L HN 1.033 nan 8.230 nan 0.000 0.431 1253 E N -0.774 119.269 120.200 -0.262 0.000 2.153 1253 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 1253 E C 1.894 178.328 176.600 -0.277 0.000 0.988 1253 E CA 1.742 58.024 56.400 -0.198 0.000 0.811 1253 E CB -0.409 29.216 29.700 -0.126 0.000 0.746 1253 E HN 0.424 nan 8.360 nan 0.000 0.466 1254 S N 1.084 116.536 115.700 -0.412 0.000 2.402 1254 S HA 0.012 4.482 4.470 -0.000 0.000 0.229 1254 S C 2.115 176.477 174.600 -0.396 0.000 1.021 1254 S CA 0.879 58.712 58.200 -0.612 0.000 0.974 1254 S CB -0.203 62.455 63.200 -0.903 0.000 0.800 1254 S HN 0.217 nan 8.310 nan 0.000 0.484 1255 L N 1.393 122.435 121.223 -0.301 0.000 2.156 1255 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 1255 L C 2.781 179.572 176.870 -0.130 0.000 1.095 1255 L CA 1.020 55.748 54.840 -0.188 0.000 0.770 1255 L CB -0.420 41.520 42.059 -0.199 0.000 0.914 1255 L HN 0.472 nan 8.230 nan 0.000 0.439 1256 Q N -1.041 118.676 119.800 -0.139 0.000 2.274 1256 Q HA -0.043 4.297 4.340 -0.000 0.000 0.198 1256 Q C 1.752 177.705 176.000 -0.079 0.000 0.955 1256 Q CA 1.294 57.043 55.803 -0.091 0.000 0.859 1256 Q CB -0.412 28.279 28.738 -0.080 0.000 0.956 1256 Q HN 0.359 nan 8.270 nan 0.000 0.516 1257 T N -2.459 112.035 114.554 -0.100 0.000 3.086 1257 T HA 0.109 4.459 4.350 -0.000 0.000 0.250 1257 T C 0.458 175.108 174.700 -0.082 0.000 1.074 1257 T CA -0.037 62.017 62.100 -0.077 0.000 0.988 1257 T CB 0.324 69.151 68.868 -0.069 0.000 0.988 1257 T HN 0.258 nan 8.240 nan 0.000 0.530 1258 Q N -0.400 119.324 119.800 -0.127 0.000 2.494 1258 Q HA -0.152 4.188 4.340 -0.000 0.000 0.266 1258 Q C 0.110 176.026 176.000 -0.139 0.000 1.053 1258 Q CA 1.562 57.301 55.803 -0.107 0.000 1.029 1258 Q CB -2.524 26.227 28.738 0.023 0.000 1.423 1258 Q HN 0.935 nan 8.270 nan 0.000 0.516 1259 K N 0.410 120.651 120.400 -0.265 0.000 2.211 1259 K HA 0.647 4.967 4.320 -0.000 0.000 0.275 1259 K C -0.587 175.796 176.600 -0.362 0.000 1.024 1259 K CA -0.142 56.040 56.287 -0.175 0.000 0.887 1259 K CB 0.440 32.880 32.500 -0.099 0.000 1.084 1259 K HN 0.110 nan 8.250 nan 0.000 0.463 1260 F N 1.839 121.794 119.950 0.008 0.000 2.427 1260 F HA 0.497 5.024 4.527 -0.000 0.000 0.348 1260 F C 1.015 176.828 175.800 0.022 0.000 1.125 1260 F CA -0.321 57.691 58.000 0.021 0.000 0.989 1260 F CB 2.542 41.554 39.000 0.020 0.000 1.165 1260 F HN 0.711 nan 8.300 nan 0.000 0.442 1261 T N -2.467 112.192 114.554 0.175 0.000 2.773 1261 T HA 0.215 4.565 4.350 -0.000 0.000 0.278 1261 T C 0.897 175.691 174.700 0.157 0.000 1.011 1261 T CA -0.221 61.955 62.100 0.127 0.000 1.014 1261 T CB 1.436 70.350 68.868 0.077 0.000 1.293 1261 T HN 0.429 nan 8.240 nan 0.000 0.554 1262 T N -0.473 114.163 114.554 0.136 0.000 2.881 1262 T HA -0.057 4.293 4.350 -0.000 0.000 0.270 1262 T C 1.496 176.304 174.700 0.180 0.000 1.068 1262 T CA 1.128 63.346 62.100 0.197 0.000 1.131 1262 T CB -0.591 68.380 68.868 0.171 0.000 0.871 1262 T HN 0.463 nan 8.240 nan 0.000 0.479 1263 K N 0.787 121.247 120.400 0.100 0.000 2.228 1263 K HA 0.169 4.489 4.320 -0.000 0.000 0.202 1263 K C 2.575 179.262 176.600 0.144 0.000 1.051 1263 K CA 0.568 56.890 56.287 0.058 0.000 0.960 1263 K CB -0.604 31.920 32.500 0.039 0.000 0.743 1263 K HN 0.305 nan 8.250 nan 0.000 0.458 1264 S N 1.585 117.387 115.700 0.169 0.000 2.383 1264 S HA -0.126 4.344 4.470 -0.000 0.000 0.227 1264 S C 1.273 176.075 174.600 0.336 0.000 1.026 1264 S CA 1.246 59.571 58.200 0.207 0.000 0.981 1264 S CB -0.008 63.274 63.200 0.136 0.000 0.818 1264 S HN 0.196 nan 8.310 nan 0.000 0.472 1265 D N 0.643 121.260 120.400 0.360 0.000 2.178 1265 D HA -0.026 4.614 4.640 -0.000 0.000 0.202 1265 D C 1.996 178.636 176.300 0.567 0.000 0.974 1265 D CA 0.667 54.958 54.000 0.485 0.000 0.841 1265 D CB -0.306 40.818 40.800 0.539 0.000 0.953 1265 D HN 0.263 nan 8.370 nan 0.000 0.478 1266 V N 0.847 120.906 119.914 0.242 0.000 2.343 1266 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 1266 V C 2.213 178.477 176.094 0.284 0.000 1.051 1266 V CA 1.232 63.505 62.300 -0.044 0.000 1.036 1266 V CB -0.448 31.172 31.823 -0.339 0.000 0.654 1266 V HN 0.377 nan 8.190 nan 0.000 0.451 1267 W N 1.218 122.639 121.300 0.203 0.000 2.335 1267 W HA -0.203 4.457 4.660 -0.000 0.000 0.311 1267 W C 2.546 179.336 176.519 0.452 0.000 1.213 1267 W CA 2.214 59.765 57.345 0.343 0.000 1.274 1267 W CB -0.606 29.043 29.460 0.316 0.000 1.148 1267 W HN 0.332 nan 8.180 nan 0.000 0.498 1268 S N 0.492 116.662 115.700 0.783 0.000 2.383 1268 S HA -0.206 4.264 4.470 -0.000 0.000 0.227 1268 S C 1.572 176.546 174.600 0.623 0.000 1.026 1268 S CA 1.397 60.029 58.200 0.720 0.000 0.981 1268 S CB -1.046 62.507 63.200 0.588 0.000 0.818 1268 S HN 0.295 nan 8.310 nan 0.000 0.472 1269 F N 2.812 123.018 119.950 0.427 0.000 2.126 1269 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 1269 F C 2.281 178.236 175.800 0.258 0.000 1.096 1269 F CA 1.314 59.523 58.000 0.349 0.000 1.255 1269 F CB -1.032 38.226 39.000 0.429 0.000 0.997 1269 F HN 0.218 nan 8.300 nan 0.000 0.479 1270 G N -0.023 108.869 108.800 0.154 0.000 2.446 1270 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.217 1270 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.217 1270 G C 1.734 176.779 174.900 0.242 0.000 1.168 1270 G CA 1.388 46.392 45.100 -0.161 0.000 0.771 1270 G HN 0.359 nan 8.290 nan 0.000 0.551 1271 V N 0.806 121.037 119.914 0.528 0.000 2.427 1271 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 1271 V C 2.669 178.953 176.094 0.317 0.000 1.051 1271 V CA 1.567 64.085 62.300 0.364 0.000 1.048 1271 V CB -0.446 31.383 31.823 0.010 0.000 0.666 1271 V HN 0.399 nan 8.190 nan 0.000 0.456 1272 L N -0.775 120.637 121.223 0.314 0.000 2.046 1272 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 1272 L C 2.349 179.263 176.870 0.074 0.000 1.077 1272 L CA 1.582 56.574 54.840 0.253 0.000 0.747 1272 L CB -0.162 42.016 42.059 0.197 0.000 0.896 1272 L HN 0.238 nan 8.230 nan 0.000 0.432 1273 L N -1.457 119.684 121.223 -0.136 0.000 2.012 1273 L HA -0.282 4.058 4.340 -0.000 0.000 0.210 1273 L C 2.360 179.273 176.870 0.072 0.000 1.073 1273 L CA 2.004 56.761 54.840 -0.138 0.000 0.748 1273 L CB -0.638 41.252 42.059 -0.282 0.000 0.891 1273 L HN 0.508 nan 8.230 nan 0.000 0.431 1274 W N 1.180 122.498 121.300 0.030 0.000 2.338 1274 W HA -0.242 4.418 4.660 -0.000 0.000 0.304 1274 W C 2.441 178.993 176.519 0.056 0.000 1.212 1274 W CA 1.870 59.273 57.345 0.097 0.000 1.264 1274 W CB 0.020 29.592 29.460 0.186 0.000 1.142 1274 W HN 0.121 nan 8.180 nan 0.000 0.512 1275 E N -0.014 120.417 120.200 0.386 0.000 2.051 1275 E HA -0.261 4.088 4.350 -0.000 0.000 0.192 1275 E C 2.205 178.844 176.600 0.064 0.000 0.991 1275 E CA 1.756 58.318 56.400 0.270 0.000 0.799 1275 E CB -0.650 29.266 29.700 0.361 0.000 0.748 1275 E HN 0.352 nan 8.360 nan 0.000 0.449 1276 L N 0.262 121.524 121.223 0.064 0.000 2.017 1276 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 1276 L C 2.318 179.147 176.870 -0.067 0.000 1.073 1276 L CA 0.788 55.647 54.840 0.031 0.000 0.745 1276 L CB -0.244 41.855 42.059 0.068 0.000 0.894 1276 L HN 0.235 nan 8.230 nan 0.000 0.432 1277 M N -0.771 118.763 119.600 -0.110 0.000 2.659 1277 M HA -0.024 4.456 4.480 -0.000 0.000 0.243 1277 M C 1.854 178.070 176.300 -0.140 0.000 1.111 1277 M CA 1.045 56.272 55.300 -0.121 0.000 1.070 1277 M CB -1.417 31.124 32.600 -0.100 0.000 1.525 1277 M HN 0.350 nan 8.290 nan 0.000 0.517 1278 T N -3.653 110.730 114.554 -0.286 0.000 3.054 1278 T HA 0.273 4.623 4.350 -0.000 0.000 0.255 1278 T C 0.806 175.445 174.700 -0.102 0.000 1.035 1278 T CA -0.369 61.566 62.100 -0.275 0.000 0.941 1278 T CB 0.125 68.589 68.868 -0.674 0.000 1.026 1278 T HN 0.400 nan 8.240 nan 0.000 0.533 1279 R N 0.790 121.216 120.500 -0.124 0.000 3.422 1279 R HA -0.145 4.195 4.340 -0.000 0.000 0.267 1279 R C 0.924 177.220 176.300 -0.006 0.000 1.074 1279 R CA 0.441 56.488 56.100 -0.087 0.000 0.718 1279 R CB -2.247 27.974 30.300 -0.130 0.000 1.157 1279 R HN 0.966 nan 8.270 nan 0.000 0.440 1280 G N -1.842 106.971 108.800 0.021 0.000 2.141 1280 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.195 1280 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.195 1280 G C 0.121 175.091 174.900 0.116 0.000 1.012 1280 G CA 0.044 45.198 45.100 0.090 0.000 0.696 1280 G HN 0.785 nan 8.290 nan 0.000 0.508 1281 A N 0.779 123.657 122.820 0.096 0.000 2.388 1281 A HA 0.724 5.044 4.320 -0.000 0.000 0.257 1281 A C -1.277 176.505 177.584 0.330 0.000 1.095 1281 A CA -0.907 51.229 52.037 0.164 0.000 0.791 1281 A CB 0.373 19.427 19.000 0.089 0.000 1.029 1281 A HN 0.267 nan 8.150 nan 0.000 0.489 1282 P HA 0.216 nan 4.420 nan 0.000 0.271 1282 P C -2.650 174.696 177.300 0.077 0.000 1.226 1282 P CA -1.006 62.214 63.100 0.201 0.000 0.765 1282 P CB 0.223 32.008 31.700 0.141 0.000 0.835 1283 P HA 0.016 nan 4.420 nan 0.000 0.272 1283 P C -0.422 176.584 177.300 -0.489 0.000 1.223 1283 P CA -0.098 62.532 63.100 -0.783 0.000 0.784 1283 P CB 0.042 31.100 31.700 -1.070 0.000 0.923 1284 Y N -0.303 119.650 120.300 -0.578 0.000 2.967 1284 Y HA -0.172 4.378 4.550 -0.000 0.000 0.208 1284 Y C -0.954 174.758 175.900 -0.314 0.000 1.214 1284 Y CA -0.035 57.778 58.100 -0.479 0.000 0.915 1284 Y CB -2.418 35.685 38.460 -0.596 0.000 1.218 1284 Y HN 0.454 nan 8.280 nan 0.000 0.472 1285 P HA -0.110 nan 4.420 nan 0.000 0.226 1285 P C 0.587 177.856 177.300 -0.052 0.000 1.153 1285 P CA 1.445 64.520 63.100 -0.042 0.000 0.777 1285 P CB 0.430 32.131 31.700 0.002 0.000 0.794 1286 D N -0.374 119.980 120.400 -0.076 0.000 2.440 1286 D HA 0.083 4.723 4.640 -0.000 0.000 0.216 1286 D C 0.356 176.578 176.300 -0.130 0.000 1.150 1286 D CA 0.060 54.016 54.000 -0.072 0.000 0.832 1286 D CB 0.982 41.764 40.800 -0.031 0.000 0.992 1286 D HN 0.106 nan 8.370 nan 0.000 0.502 1287 V N -0.879 118.904 119.914 -0.218 0.000 2.581 1287 V HA 0.506 4.626 4.120 -0.000 0.000 0.303 1287 V C -0.306 175.592 176.094 -0.326 0.000 1.041 1287 V CA -0.922 61.184 62.300 -0.322 0.000 0.907 1287 V CB 1.781 33.250 31.823 -0.591 0.000 0.994 1287 V HN -0.147 nan 8.190 nan 0.000 0.442 1288 N N 2.773 121.219 118.700 -0.423 0.000 2.467 1288 N HA 0.277 5.017 4.740 -0.000 0.000 0.262 1288 N C 1.447 176.634 175.510 -0.539 0.000 1.234 1288 N CA 0.189 52.909 53.050 -0.549 0.000 0.952 1288 N CB 1.170 39.040 38.487 -1.028 0.000 1.158 1288 N HN 0.941 nan 8.380 nan 0.000 0.463 1289 T N -1.532 112.817 114.554 -0.341 0.000 2.803 1289 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 1289 T C 1.397 176.027 174.700 -0.116 0.000 1.052 1289 T CA 1.330 63.338 62.100 -0.154 0.000 1.136 1289 T CB -0.659 68.219 68.868 0.017 0.000 0.864 1289 T HN 0.624 nan 8.240 nan 0.000 0.467 1290 F N 1.102 121.020 119.950 -0.053 0.000 2.615 1290 F HA 0.401 4.928 4.527 0.000 0.000 0.297 1290 F C 1.371 177.137 175.800 -0.058 0.000 1.124 1290 F CA -0.118 57.853 58.000 -0.048 0.000 1.451 1290 F CB -0.402 38.580 39.000 -0.031 0.000 1.103 1290 F HN 0.001 nan 8.300 nan 0.000 0.569 1291 D N 0.750 120.876 120.400 -0.456 0.000 2.339 1291 D HA 0.022 4.662 4.640 -0.000 0.000 0.217 1291 D C 2.041 178.218 176.300 -0.206 0.000 1.050 1291 D CA 0.310 54.144 54.000 -0.278 0.000 0.856 1291 D CB 0.110 40.677 40.800 -0.388 0.000 0.922 1291 D HN 0.346 nan 8.370 nan 0.000 0.518 1292 I N 1.009 121.417 120.570 -0.269 0.000 2.286 1292 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 1292 I C 1.889 177.893 176.117 -0.188 0.000 1.115 1292 I CA 1.488 62.590 61.300 -0.330 0.000 1.392 1292 I CB -0.283 37.464 38.000 -0.422 0.000 1.065 1292 I HN -0.131 nan 8.210 nan 0.000 0.418 1293 T N 0.097 114.576 114.554 -0.126 0.000 2.777 1293 T HA -0.147 4.203 4.350 -0.000 0.000 0.266 1293 T C 1.980 176.654 174.700 -0.042 0.000 1.040 1293 T CA 1.886 63.932 62.100 -0.090 0.000 1.141 1293 T CB -0.803 68.023 68.868 -0.071 0.000 0.868 1293 T HN 0.387 nan 8.240 nan 0.000 0.444 1294 V N -0.840 119.063 119.914 -0.018 0.000 2.548 1294 V HA -0.086 4.034 4.120 -0.000 0.000 0.249 1294 V C 2.130 178.230 176.094 0.009 0.000 1.055 1294 V CA 1.077 63.376 62.300 -0.002 0.000 1.065 1294 V CB -1.337 30.491 31.823 0.009 0.000 0.681 1294 V HN 0.412 nan 8.190 nan 0.000 0.462 1295 Y N 1.366 121.595 120.300 -0.118 0.000 2.128 1295 Y HA -0.141 4.409 4.550 -0.000 0.000 0.284 1295 Y C 2.194 178.040 175.900 -0.091 0.000 1.154 1295 Y CA 2.278 60.306 58.100 -0.120 0.000 1.149 1295 Y CB -0.157 38.186 38.460 -0.195 0.000 0.976 1295 Y HN 0.235 nan 8.280 nan 0.000 0.505 1296 L N -0.478 120.786 121.223 0.068 0.000 2.291 1296 L HA -0.149 4.191 4.340 -0.000 0.000 0.214 1296 L C 1.803 178.680 176.870 0.011 0.000 1.120 1296 L CA 0.601 55.476 54.840 0.059 0.000 0.799 1296 L CB -0.348 41.773 42.059 0.102 0.000 0.925 1296 L HN 0.254 nan 8.230 nan 0.000 0.446 1297 L N -0.666 120.545 121.223 -0.020 0.000 2.599 1297 L HA -0.037 4.303 4.340 -0.000 0.000 0.230 1297 L C 1.709 178.548 176.870 -0.053 0.000 1.141 1297 L CA 0.345 55.169 54.840 -0.026 0.000 0.877 1297 L CB -0.155 41.890 42.059 -0.023 0.000 1.009 1297 L HN 0.311 nan 8.230 nan 0.000 0.447 1298 Q N -0.230 119.511 119.800 -0.099 0.000 2.280 1298 Q HA 0.175 4.515 4.340 -0.000 0.000 0.201 1298 Q C 1.429 177.355 176.000 -0.124 0.000 0.890 1298 Q CA 0.454 56.181 55.803 -0.127 0.000 0.947 1298 Q CB 0.681 29.298 28.738 -0.201 0.000 1.081 1298 Q HN 0.469 nan 8.270 nan 0.000 0.502 1299 G N 1.775 110.520 108.800 -0.092 0.000 2.155 1299 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.257 1299 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.257 1299 G C -0.006 174.843 174.900 -0.084 0.000 0.983 1299 G CA -0.105 44.954 45.100 -0.068 0.000 0.676 1299 G HN 0.218 nan 8.290 nan 0.000 0.528 1300 R N 0.189 120.585 120.500 -0.172 0.000 2.390 1300 R HA 0.585 4.925 4.340 -0.000 0.000 0.291 1300 R C 0.406 176.688 176.300 -0.029 0.000 1.070 1300 R CA -0.236 55.731 56.100 -0.221 0.000 1.014 1300 R CB 0.661 30.524 30.300 -0.728 0.000 1.007 1300 R HN 0.140 nan 8.270 nan 0.000 0.466 1301 R N 1.818 122.345 120.500 0.044 0.000 2.912 1301 R HA 0.415 4.755 4.340 -0.000 0.000 0.262 1301 R C -0.155 176.124 176.300 -0.034 0.000 1.057 1301 R CA -1.278 54.824 56.100 0.004 0.000 0.981 1301 R CB 0.807 31.136 30.300 0.048 0.000 1.201 1301 R HN 0.421 nan 8.270 nan 0.000 0.484 1302 L N 1.964 122.925 121.223 -0.437 0.000 2.485 1302 L HA 0.149 4.489 4.340 -0.000 0.000 0.275 1302 L C 0.395 177.344 176.870 0.131 0.000 1.207 1302 L CA 0.115 54.631 54.840 -0.540 0.000 0.855 1302 L CB 0.079 41.269 42.059 -1.448 0.000 1.114 1302 L HN 0.209 nan 8.230 nan 0.000 0.485 1303 L N 2.918 124.287 121.223 0.243 0.000 2.395 1303 L HA 0.201 4.541 4.340 -0.000 0.000 0.269 1303 L C 0.549 177.577 176.870 0.263 0.000 1.133 1303 L CA -0.396 54.597 54.840 0.256 0.000 0.812 1303 L CB 0.656 42.797 42.059 0.136 0.000 1.125 1303 L HN 0.619 nan 8.230 nan 0.000 0.452 1304 Q N 3.141 122.748 119.800 -0.322 0.000 2.264 1304 Q HA 0.048 4.388 4.340 -0.000 0.000 0.296 1304 Q C -2.174 173.684 176.000 -0.236 0.000 1.103 1304 Q CA -1.108 54.330 55.803 -0.609 0.000 0.967 1304 Q CB 0.524 28.643 28.738 -1.031 0.000 1.090 1304 Q HN 0.268 nan 8.270 nan 0.000 0.379 1305 P HA -0.029 nan 4.420 nan 0.000 0.270 1305 P C -0.309 176.875 177.300 -0.193 0.000 1.223 1305 P CA 0.017 62.932 63.100 -0.308 0.000 0.785 1305 P CB 0.621 32.031 31.700 -0.483 0.000 0.923 1306 E N -0.006 120.084 120.200 -0.184 0.000 2.153 1306 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 1306 E C 0.899 177.337 176.600 -0.269 0.000 0.988 1306 E CA 1.384 57.644 56.400 -0.234 0.000 0.811 1306 E CB -0.363 29.153 29.700 -0.307 0.000 0.746 1306 E HN 0.556 nan 8.360 nan 0.000 0.466 1307 Y N -0.501 119.724 120.300 -0.125 0.000 2.511 1307 Y HA 0.082 4.632 4.550 -0.000 0.000 0.279 1307 Y C 1.021 176.861 175.900 -0.101 0.000 1.157 1307 Y CA -0.448 57.593 58.100 -0.099 0.000 1.300 1307 Y CB 0.302 38.700 38.460 -0.103 0.000 1.052 1307 Y HN 0.023 nan 8.280 nan 0.000 0.529 1308 C N 3.909 123.219 119.300 0.017 0.000 2.499 1308 C HA 0.330 4.790 4.460 -0.000 0.000 0.386 1308 C C -2.073 172.941 174.990 0.041 0.000 1.293 1308 C CA -2.271 56.753 59.018 0.010 0.000 1.884 1308 C CB -0.346 27.392 27.740 -0.003 0.000 2.509 1308 C HN 0.143 nan 8.230 nan 0.000 0.566 1309 P HA 0.219 nan 4.420 nan 0.000 0.275 1309 P C 0.317 177.705 177.300 0.146 0.000 1.228 1309 P CA 0.025 63.225 63.100 0.167 0.000 0.786 1309 P CB 0.634 32.526 31.700 0.320 0.000 0.927 1310 D N 3.090 123.566 120.400 0.126 0.000 2.116 1310 D HA -0.156 4.484 4.640 -0.000 0.000 0.193 1310 D C -0.596 175.795 176.300 0.152 0.000 0.998 1310 D CA 2.019 56.100 54.000 0.135 0.000 0.836 1310 D CB -1.849 39.007 40.800 0.093 0.000 0.951 1310 D HN 0.448 nan 8.370 nan 0.000 0.449 1311 P HA -0.071 nan 4.420 nan 0.000 0.221 1311 P C 1.793 179.148 177.300 0.092 0.000 1.150 1311 P CA 0.624 63.783 63.100 0.098 0.000 0.800 1311 P CB 0.111 31.869 31.700 0.096 0.000 0.787 1312 L N -1.605 119.690 121.223 0.120 0.000 2.240 1312 L HA -0.022 4.318 4.340 -0.000 0.000 0.211 1312 L C 2.555 179.473 176.870 0.079 0.000 1.106 1312 L CA 1.232 56.125 54.840 0.088 0.000 0.793 1312 L CB -1.297 40.813 42.059 0.085 0.000 0.927 1312 L HN -0.192 nan 8.230 nan 0.000 0.446 1313 Y N 0.263 120.561 120.300 -0.003 0.000 2.293 1313 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 1313 Y C 2.295 178.165 175.900 -0.049 0.000 1.137 1313 Y CA 1.499 59.593 58.100 -0.011 0.000 1.202 1313 Y CB 0.041 38.523 38.460 0.035 0.000 0.990 1313 Y HN 0.250 nan 8.280 nan 0.000 0.537 1314 E N -0.494 119.644 120.200 -0.104 0.000 2.204 1314 E HA -0.122 4.228 4.350 -0.000 0.000 0.194 1314 E C 2.450 178.922 176.600 -0.214 0.000 0.989 1314 E CA 1.081 57.373 56.400 -0.180 0.000 0.824 1314 E CB -0.456 29.214 29.700 -0.050 0.000 0.756 1314 E HN 0.400 nan 8.360 nan 0.000 0.477 1315 V N 1.511 121.326 119.914 -0.164 0.000 2.261 1315 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 1315 V C 2.460 178.343 176.094 -0.352 0.000 1.047 1315 V CA 1.793 63.989 62.300 -0.172 0.000 1.015 1315 V CB -0.525 31.259 31.823 -0.064 0.000 0.642 1315 V HN 0.247 nan 8.190 nan 0.000 0.446 1316 M N -0.661 118.646 119.600 -0.489 0.000 2.080 1316 M HA -0.212 4.268 4.480 -0.000 0.000 0.260 1316 M C 2.216 177.706 176.300 -1.349 0.000 1.068 1316 M CA 1.994 56.699 55.300 -0.992 0.000 1.109 1316 M CB -0.617 31.445 32.600 -0.896 0.000 1.342 1316 M HN 0.264 nan 8.290 nan 0.000 0.405 1317 L N -0.097 120.614 121.223 -0.853 0.000 2.046 1317 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 1317 L C 2.414 179.073 176.870 -0.351 0.000 1.077 1317 L CA 1.429 55.971 54.840 -0.497 0.000 0.747 1317 L CB -0.671 41.153 42.059 -0.393 0.000 0.896 1317 L HN 0.288 nan 8.230 nan 0.000 0.432 1318 K N -0.729 119.479 120.400 -0.321 0.000 2.209 1318 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 1318 K C 2.073 178.542 176.600 -0.218 0.000 1.048 1318 K CA 1.304 57.479 56.287 -0.186 0.000 0.940 1318 K CB -0.269 32.141 32.500 -0.150 0.000 0.729 1318 K HN 0.376 nan 8.250 nan 0.000 0.451 1319 C N -0.375 118.662 119.300 -0.437 0.000 2.448 1319 C HA -0.033 4.426 4.460 -0.000 0.000 0.280 1319 C C 1.160 175.894 174.990 -0.427 0.000 1.398 1319 C CA -0.110 58.648 59.018 -0.435 0.000 1.774 1319 C CB -0.677 26.711 27.740 -0.588 0.000 1.888 1319 C HN 0.569 nan 8.230 nan 0.000 0.519 1320 W N 0.096 121.093 121.300 -0.505 0.000 3.067 1320 W HA 0.290 4.950 4.660 -0.000 0.000 0.417 1320 W C 0.859 177.122 176.519 -0.425 0.000 1.029 1320 W CA -0.759 55.973 57.345 -1.022 0.000 1.992 1320 W CB -1.437 27.354 29.460 -1.115 0.000 1.122 1320 W HN 0.397 nan 8.180 nan 0.000 0.681 1321 H N 3.983 123.042 119.070 -0.018 0.000 2.929 1321 H HA 0.016 4.572 4.556 -0.000 0.000 0.317 1321 H C -1.148 174.334 175.328 0.257 0.000 1.031 1321 H CA -0.768 55.333 56.048 0.088 0.000 1.466 1321 H CB 1.517 31.300 29.762 0.035 0.000 1.482 1321 H HN -0.109 nan 8.280 nan 0.000 0.561 1322 P HA -0.093 nan 4.420 nan 0.000 0.218 1322 P C 0.164 177.664 177.300 0.334 0.000 1.149 1322 P CA 1.190 64.510 63.100 0.366 0.000 0.817 1322 P CB 0.150 31.952 31.700 0.169 0.000 0.785 1323 K N 0.392 121.066 120.400 0.458 0.000 2.276 1323 K HA 0.581 4.901 4.320 -0.000 0.000 0.285 1323 K C 1.391 178.075 176.600 0.139 0.000 1.062 1323 K CA 0.185 56.615 56.287 0.238 0.000 0.918 1323 K CB -0.073 32.536 32.500 0.181 0.000 1.055 1323 K HN 0.056 nan 8.250 nan 0.000 0.477 1324 A N 1.808 124.686 122.820 0.096 0.000 1.940 1324 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 1324 A C 1.872 179.455 177.584 -0.001 0.000 1.176 1324 A CA 1.817 53.896 52.037 0.070 0.000 0.631 1324 A CB -0.180 18.852 19.000 0.054 0.000 0.814 1324 A HN 0.911 nan 8.150 nan 0.000 0.446 1325 E N -0.406 119.775 120.200 -0.031 0.000 2.268 1325 E HA -0.136 4.214 4.350 -0.000 0.000 0.195 1325 E C 1.415 177.939 176.600 -0.127 0.000 0.995 1325 E CA 0.845 57.207 56.400 -0.063 0.000 0.836 1325 E CB -0.467 29.204 29.700 -0.048 0.000 0.763 1325 E HN 0.557 nan 8.360 nan 0.000 0.491 1326 M N 0.853 120.316 119.600 -0.228 0.000 2.561 1326 M HA 0.141 4.621 4.480 -0.000 0.000 0.238 1326 M C 0.600 176.731 176.300 -0.281 0.000 1.131 1326 M CA 0.201 55.255 55.300 -0.411 0.000 1.046 1326 M CB -0.045 31.872 32.600 -1.139 0.000 1.532 1326 M HN -0.058 nan 8.290 nan 0.000 0.497 1327 R N 1.350 121.761 120.500 -0.148 0.000 2.500 1327 R HA 0.285 4.625 4.340 -0.000 0.000 0.275 1327 R C -2.174 174.051 176.300 -0.126 0.000 1.051 1327 R CA -1.487 54.554 56.100 -0.097 0.000 1.088 1327 R CB 0.044 30.321 30.300 -0.038 0.000 1.063 1327 R HN -0.011 nan 8.270 nan 0.000 0.511 1328 P HA -0.006 nan 4.420 nan 0.000 0.272 1328 P C -0.523 176.648 177.300 -0.215 0.000 1.223 1328 P CA -0.320 62.691 63.100 -0.150 0.000 0.784 1328 P CB 0.957 32.575 31.700 -0.136 0.000 0.923 1329 S N 0.970 116.568 115.700 -0.170 0.000 2.614 1329 S HA 0.186 4.656 4.470 -0.000 0.000 0.265 1329 S C 0.975 175.434 174.600 -0.234 0.000 1.303 1329 S CA -0.233 57.857 58.200 -0.183 0.000 1.000 1329 S CB -0.135 63.021 63.200 -0.073 0.000 0.935 1329 S HN 0.219 nan 8.310 nan 0.000 0.551 1330 F N 0.792 120.676 119.950 -0.111 0.000 2.234 1330 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 1330 F C 3.000 178.715 175.800 -0.141 0.000 1.087 1330 F CA 1.299 59.189 58.000 -0.183 0.000 1.340 1330 F CB -0.885 37.993 39.000 -0.203 0.000 1.031 1330 F HN 0.696 nan 8.300 nan 0.000 0.500 1331 S N -0.299 115.444 115.700 0.072 0.000 2.368 1331 S HA -0.194 4.276 4.470 -0.000 0.000 0.225 1331 S C 2.030 176.634 174.600 0.007 0.000 1.030 1331 S CA 1.554 59.772 58.200 0.030 0.000 0.999 1331 S CB -0.212 63.000 63.200 0.019 0.000 0.844 1331 S HN 0.456 nan 8.310 nan 0.000 0.459 1332 E N 0.366 120.556 120.200 -0.017 0.000 2.072 1332 E HA -0.039 4.311 4.350 -0.000 0.000 0.191 1332 E C 2.100 178.688 176.600 -0.020 0.000 0.985 1332 E CA 1.055 57.440 56.400 -0.024 0.000 0.801 1332 E CB -0.184 29.488 29.700 -0.047 0.000 0.750 1332 E HN 0.458 nan 8.360 nan 0.000 0.452 1333 L N 0.451 121.649 121.223 -0.041 0.000 2.083 1333 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 1333 L C 2.412 179.297 176.870 0.025 0.000 1.083 1333 L CA 0.631 55.461 54.840 -0.017 0.000 0.752 1333 L CB -0.340 41.662 42.059 -0.095 0.000 0.899 1333 L HN 0.061 nan 8.230 nan 0.000 0.433 1334 V N -0.162 119.760 119.914 0.014 0.000 2.295 1334 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 1334 V C 2.662 178.779 176.094 0.037 0.000 1.049 1334 V CA 2.190 64.505 62.300 0.024 0.000 1.024 1334 V CB -0.572 31.261 31.823 0.016 0.000 0.648 1334 V HN 0.656 nan 8.190 nan 0.000 0.447 1335 S N -0.213 115.507 115.700 0.032 0.000 2.387 1335 S HA -0.209 4.261 4.470 -0.000 0.000 0.226 1335 S C 2.044 176.674 174.600 0.050 0.000 1.026 1335 S CA 1.315 59.539 58.200 0.039 0.000 0.972 1335 S CB -0.393 62.824 63.200 0.028 0.000 0.814 1335 S HN 0.508 nan 8.310 nan 0.000 0.477 1336 R N 0.982 121.509 120.500 0.045 0.000 2.061 1336 R HA 0.160 4.500 4.340 -0.000 0.000 0.230 1336 R C 2.311 178.662 176.300 0.085 0.000 1.140 1336 R CA 1.842 57.974 56.100 0.053 0.000 0.940 1336 R CB -0.521 29.800 30.300 0.036 0.000 0.839 1336 R HN 0.461 nan 8.270 nan 0.000 0.429 1337 I N -0.085 120.545 120.570 0.100 0.000 2.286 1337 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 1337 I C 2.481 178.692 176.117 0.157 0.000 1.115 1337 I CA 1.142 62.522 61.300 0.133 0.000 1.392 1337 I CB -0.295 37.797 38.000 0.154 0.000 1.065 1337 I HN 0.245 nan 8.210 nan 0.000 0.418 1338 S N 0.669 116.441 115.700 0.120 0.000 2.370 1338 S HA -0.214 4.256 4.470 -0.000 0.000 0.226 1338 S C 2.230 176.954 174.600 0.206 0.000 1.033 1338 S CA 1.518 59.805 58.200 0.144 0.000 1.011 1338 S CB -0.207 63.043 63.200 0.085 0.000 0.852 1338 S HN 0.480 nan 8.310 nan 0.000 0.457 1339 A N 1.232 124.140 122.820 0.146 0.000 1.898 1339 A HA 0.046 4.366 4.320 -0.000 0.000 0.216 1339 A C 2.101 179.776 177.584 0.152 0.000 1.181 1339 A CA 1.447 53.559 52.037 0.126 0.000 0.620 1339 A CB -0.715 18.335 19.000 0.083 0.000 0.819 1339 A HN 0.640 nan 8.150 nan 0.000 0.442 1340 I N -1.891 118.790 120.570 0.185 0.000 2.315 1340 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 1340 I C 2.335 178.664 176.117 0.352 0.000 1.117 1340 I CA 1.415 62.859 61.300 0.240 0.000 1.404 1340 I CB -0.367 37.771 38.000 0.230 0.000 1.071 1340 I HN 0.430 nan 8.210 nan 0.000 0.419 1341 F N 2.232 122.277 119.950 0.158 0.000 2.134 1341 F HA -0.269 4.258 4.527 -0.000 0.000 0.299 1341 F C 2.781 178.673 175.800 0.153 0.000 1.097 1341 F CA 1.776 59.858 58.000 0.138 0.000 1.264 1341 F CB -0.352 38.683 39.000 0.059 0.000 1.001 1341 F HN 0.106 nan 8.300 nan 0.000 0.479 1342 S N -1.144 114.639 115.700 0.138 0.000 2.447 1342 S HA -0.177 4.293 4.470 -0.000 0.000 0.233 1342 S C 1.957 176.523 174.600 -0.057 0.000 1.006 1342 S CA 1.173 59.374 58.200 0.001 0.000 0.957 1342 S CB -1.510 61.745 63.200 0.091 0.000 0.773 1342 S HN 0.614 nan 8.310 nan 0.000 0.507 1343 T N -1.528 113.014 114.554 -0.020 0.000 3.023 1343 T HA 0.216 4.566 4.350 -0.000 0.000 0.266 1343 T C 0.344 174.900 174.700 -0.241 0.000 1.093 1343 T CA -0.077 61.950 62.100 -0.123 0.000 1.129 1343 T CB -0.660 68.118 68.868 -0.149 0.000 0.899 1343 T HN 0.279 nan 8.240 nan 0.000 0.491 1344 F N 2.117 121.952 119.950 -0.192 0.000 2.371 1344 F HA 0.603 5.130 4.527 -0.000 0.000 0.329 1344 F C 0.498 176.138 175.800 -0.268 0.000 1.107 1344 F CA -1.562 56.311 58.000 -0.212 0.000 1.137 1344 F CB 0.895 39.766 39.000 -0.215 0.000 1.214 1344 F HN 0.167 nan 8.300 nan 0.000 0.536 1345 I N -0.672 119.887 120.570 -0.019 0.000 3.042 1345 I HA 0.959 5.129 4.170 -0.000 0.000 0.310 1345 I C -0.114 175.956 176.117 -0.079 0.000 1.117 1345 I CA -1.270 59.977 61.300 -0.088 0.000 1.003 1345 I CB 2.008 39.953 38.000 -0.092 0.000 1.228 1345 I HN 0.739 nan 8.210 nan 0.000 0.443 1346 G N 1.907 110.630 108.800 -0.129 0.000 3.391 1346 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.683 1346 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.683 1346 G C -1.122 173.612 174.900 -0.277 0.000 1.071 1346 G CA -0.633 44.356 45.100 -0.185 0.000 0.904 1346 G HN 0.916 nan 8.290 nan 0.000 0.452 1347 E N 0.573 120.584 120.200 -0.316 0.000 2.293 1347 E HA 0.548 4.898 4.350 -0.000 0.000 0.270 1347 E C 0.424 176.764 176.600 -0.434 0.000 0.879 1347 E CA -0.904 55.292 56.400 -0.340 0.000 0.756 1347 E CB 1.555 31.148 29.700 -0.179 0.000 1.208 1347 E HN 0.683 nan 8.360 nan 0.000 0.428 1348 H N 1.045 119.918 119.070 -0.328 0.000 2.750 1348 H HA 0.153 4.709 4.556 -0.000 0.000 0.263 1348 H C -0.533 174.231 175.328 -0.940 0.000 0.964 1348 H CA 0.171 55.852 56.048 -0.613 0.000 1.205 1348 H CB 0.682 29.995 29.762 -0.749 0.000 1.454 1348 H HN 0.364 nan 8.280 nan 0.000 0.503 1349 Y N 1.599 121.768 120.300 -0.218 0.000 2.488 1349 Y HA 0.324 4.874 4.550 -0.000 0.000 0.330 1349 Y C -0.355 175.362 175.900 -0.305 0.000 1.013 1349 Y CA -1.318 56.457 58.100 -0.542 0.000 1.304 1349 Y CB 1.075 39.097 38.460 -0.728 0.000 1.098 1349 Y HN -0.130 nan 8.280 nan 0.000 0.498 1350 V N -1.262 118.621 119.914 -0.052 0.000 2.716 1350 V HA 0.990 5.110 4.120 -0.000 0.000 0.304 1350 V C 0.369 176.560 176.094 0.162 0.000 1.053 1350 V CA 0.389 62.723 62.300 0.057 0.000 0.984 1350 V CB 0.504 32.357 31.823 0.050 0.000 1.021 1350 V HN 1.245 nan 8.190 nan 0.000 0.467 1351 H N 0.000 119.152 119.070 0.137 0.000 2.539 1351 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1351 H CA 0.000 56.129 56.048 0.135 0.000 1.023 1351 H CB 0.000 29.852 29.762 0.150 0.000 1.292 1351 H HN 0.000 nan 8.280 nan 0.000 0.496