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 3q6u_1_A DATA FIRST_RESID 1048 DATA SEQUENCE QNTVHIDLSA LNPELVQAVQ HVVIGPSSLI VHFNEVIGRG HFGCVYHGTL DATA SEQUENCE LDNDGKKIHC AVKSLNRITD IGEVSQFLTE GIIMKDFSHP NVLSLLGICL DATA SEQUENCE RSEGSPLVVL PYMKHGDLRN FIRNETHNPT VKDLIGFGLQ VAKGMKYLAS DATA SEQUENCE KKFVHRDLAA RNCMLDEKFT VKVADFGXXX XXXXXXXXXX XXXXXXXLPV DATA SEQUENCE KWMALESLQT QKFTTKSDVW SFGVLLWELM TRGAPPYPDV NTFDITVYLL DATA SEQUENCE QGRRLLQPEY CPDPLYEVML KCWHPKAEMR PSFSELVSRI SAIFSTFIGE DATA SEQUENCE HHHHHHH 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 1048 Q HA 0.000 nan 4.340 nan 0.000 0.214 1048 Q C 0.000 175.985 176.000 -0.025 0.000 1.003 1048 Q CA 0.000 55.792 55.803 -0.019 0.000 1.022 1048 Q CB 0.000 28.727 28.738 -0.019 0.000 1.108 1049 N N 1.527 120.206 118.700 -0.034 0.000 2.434 1049 N HA -0.038 4.829 4.740 0.211 0.000 0.196 1049 N C 0.916 176.414 175.510 -0.020 0.000 1.183 1049 N CA 1.331 54.356 53.050 -0.042 0.000 0.849 1049 N CB 0.074 38.520 38.487 -0.069 0.000 0.992 1049 N HN 0.279 nan 8.380 nan 0.000 0.460 1050 T N -3.534 111.017 114.554 -0.006 0.000 3.084 1050 T HA 0.186 4.663 4.350 0.211 0.000 0.270 1050 T C 0.535 175.257 174.700 0.036 0.000 1.008 1050 T CA -0.234 61.873 62.100 0.012 0.000 0.900 1050 T CB -0.853 68.019 68.868 0.005 0.000 1.084 1050 T HN 0.096 nan 8.240 nan 0.000 0.538 1051 V N 1.180 121.109 119.914 0.025 0.000 2.694 1051 V HA 0.381 4.628 4.120 0.211 0.000 0.306 1051 V C -0.177 175.961 176.094 0.074 0.000 1.054 1051 V CA -0.363 61.958 62.300 0.035 0.000 1.161 1051 V CB -0.313 31.512 31.823 0.003 0.000 0.916 1051 V HN 0.604 nan 8.190 nan 0.000 0.490 1052 H N 4.402 123.470 119.070 -0.004 0.000 2.505 1052 H HA 0.658 5.342 4.556 0.213 0.000 0.338 1052 H C -0.646 174.685 175.328 0.005 0.000 1.057 1052 H CA -0.971 55.078 56.048 0.002 0.000 1.202 1052 H CB 1.436 31.198 29.762 0.001 0.000 1.466 1052 H HN 0.818 nan 8.280 nan 0.000 0.499 1053 I N 4.088 124.315 120.570 -0.572 0.000 2.331 1053 I HA 0.095 4.392 4.170 0.211 0.000 0.292 1053 I C -0.087 175.777 176.117 -0.421 0.000 0.998 1053 I CA -0.538 60.553 61.300 -0.347 0.000 1.267 1053 I CB 0.960 38.844 38.000 -0.193 0.000 1.386 1053 I HN 0.630 nan 8.210 nan 0.000 0.476 1054 D N 6.986 127.288 120.400 -0.164 0.000 2.374 1054 D HA 0.140 4.907 4.640 0.211 0.000 0.240 1054 D C 0.966 177.242 176.300 -0.040 0.000 1.229 1054 D CA 0.026 53.994 54.000 -0.053 0.000 0.895 1054 D CB 0.911 41.727 40.800 0.027 0.000 1.046 1054 D HN 0.451 nan 8.370 nan 0.000 0.498 1055 L N 2.420 123.621 121.223 -0.037 0.000 2.191 1055 L HA -0.170 4.297 4.340 0.211 0.000 0.212 1055 L C 2.171 179.043 176.870 0.002 0.000 1.103 1055 L CA 0.646 55.477 54.840 -0.015 0.000 0.769 1055 L CB -0.265 41.791 42.059 -0.005 0.000 0.908 1055 L HN 0.320 nan 8.230 nan 0.000 0.438 1056 S N 0.198 115.904 115.700 0.011 0.000 2.442 1056 S HA -0.135 4.461 4.470 0.211 0.000 0.236 1056 S C 1.983 176.589 174.600 0.010 0.000 1.007 1056 S CA 1.099 59.307 58.200 0.015 0.000 0.965 1056 S CB -0.202 63.011 63.200 0.022 0.000 0.773 1056 S HN 0.522 nan 8.310 nan 0.000 0.504 1057 A N 0.438 123.262 122.820 0.006 0.000 2.238 1057 A HA 0.364 4.811 4.320 0.211 0.000 0.208 1057 A C 0.708 178.294 177.584 0.003 0.000 1.177 1057 A CA 0.103 52.142 52.037 0.004 0.000 0.804 1057 A CB -0.177 18.824 19.000 0.002 0.000 0.823 1057 A HN 0.382 nan 8.150 nan 0.000 0.482 1058 L N 0.677 121.902 121.223 0.003 0.000 2.399 1058 L HA 0.240 4.706 4.340 0.211 0.000 0.265 1058 L C 0.455 177.327 176.870 0.004 0.000 1.089 1058 L CA -0.902 53.941 54.840 0.004 0.000 0.802 1058 L CB 0.857 42.919 42.059 0.006 0.000 1.180 1058 L HN 0.520 nan 8.230 nan 0.000 0.454 1059 N N 1.372 120.073 118.700 0.003 0.000 2.381 1059 N HA 0.041 4.907 4.740 0.211 0.000 0.241 1059 N C -2.268 173.242 175.510 -0.000 0.000 1.279 1059 N CA -0.738 52.312 53.050 0.001 0.000 0.896 1059 N CB 0.252 38.738 38.487 -0.001 0.000 1.118 1059 N HN 0.234 nan 8.380 nan 0.000 0.438 1060 P HA -0.134 nan 4.420 nan 0.000 0.214 1060 P C 0.610 177.906 177.300 -0.006 0.000 1.163 1060 P CA 1.527 64.626 63.100 -0.000 0.000 0.883 1060 P CB 0.084 31.784 31.700 -0.001 0.000 0.788 1061 E N -0.721 119.471 120.200 -0.014 0.000 2.110 1061 E HA -0.152 4.325 4.350 0.211 0.000 0.193 1061 E C 1.884 178.464 176.600 -0.034 0.000 0.988 1061 E CA 0.720 57.102 56.400 -0.029 0.000 0.804 1061 E CB -1.234 28.446 29.700 -0.033 0.000 0.745 1061 E HN 0.113 nan 8.360 nan 0.000 0.458 1062 L N 0.282 121.491 121.223 -0.024 0.000 2.027 1062 L HA -0.081 4.386 4.340 0.211 0.000 0.206 1062 L C 2.249 179.111 176.870 -0.013 0.000 1.074 1062 L CA 1.396 56.221 54.840 -0.024 0.000 0.745 1062 L CB -0.673 41.378 42.059 -0.014 0.000 0.898 1062 L HN 0.126 nan 8.230 nan 0.000 0.433 1063 V N -0.565 119.349 119.914 -0.000 0.000 2.490 1063 V HA -0.263 3.984 4.120 0.211 0.000 0.250 1063 V C 2.608 178.721 176.094 0.031 0.000 1.061 1063 V CA 1.689 63.996 62.300 0.013 0.000 1.064 1063 V CB -0.310 31.522 31.823 0.014 0.000 0.670 1063 V HN 0.618 nan 8.190 nan 0.000 0.461 1064 Q N -0.010 119.806 119.800 0.027 0.000 2.084 1064 Q HA -0.095 4.372 4.340 0.211 0.000 0.202 1064 Q C 2.365 178.408 176.000 0.071 0.000 0.978 1064 Q CA 2.037 57.879 55.803 0.065 0.000 0.844 1064 Q CB -0.777 27.975 28.738 0.023 0.000 0.898 1064 Q HN 0.726 nan 8.270 nan 0.000 0.426 1065 A N 0.017 122.813 122.820 -0.040 0.000 1.898 1065 A HA -0.110 4.337 4.320 0.211 0.000 0.216 1065 A C 2.403 179.989 177.584 0.004 0.000 1.181 1065 A CA 1.477 53.454 52.037 -0.101 0.000 0.620 1065 A CB -0.603 18.320 19.000 -0.129 0.000 0.819 1065 A HN 0.216 nan 8.150 nan 0.000 0.442 1066 V N 0.428 120.353 119.914 0.018 0.000 2.407 1066 V HA -0.291 3.955 4.120 0.211 0.000 0.248 1066 V C 2.574 178.706 176.094 0.063 0.000 1.055 1066 V CA 2.014 64.328 62.300 0.024 0.000 1.049 1066 V CB -0.904 30.926 31.823 0.011 0.000 0.662 1066 V HN 0.617 nan 8.190 nan 0.000 0.455 1067 Q N -0.483 119.378 119.800 0.102 0.000 2.234 1067 Q HA -0.243 4.224 4.340 0.211 0.000 0.206 1067 Q C 2.031 178.064 176.000 0.055 0.000 0.980 1067 Q CA 1.693 57.542 55.803 0.076 0.000 0.869 1067 Q CB -0.318 28.459 28.738 0.065 0.000 0.912 1067 Q HN 0.742 nan 8.270 nan 0.000 0.436 1068 H N -0.657 118.398 119.070 -0.025 0.000 2.547 1068 H HA -0.012 4.670 4.556 0.211 0.000 0.272 1068 H C 1.516 176.828 175.328 -0.027 0.000 0.989 1068 H CA 1.023 57.055 56.048 -0.027 0.000 1.214 1068 H CB 0.389 30.131 29.762 -0.034 0.000 1.389 1068 H HN 0.162 nan 8.280 nan 0.000 0.577 1069 V N -2.799 117.165 119.914 0.082 0.000 3.078 1069 V HA 0.303 4.550 4.120 0.211 0.000 0.344 1069 V C 0.278 176.382 176.094 0.016 0.000 1.409 1069 V CA -0.535 61.786 62.300 0.034 0.000 1.146 1069 V CB -0.390 31.442 31.823 0.014 0.000 1.126 1069 V HN -0.111 nan 8.190 nan 0.000 0.513 1070 V N 2.102 122.025 119.914 0.014 0.000 2.763 1070 V HA 0.203 4.449 4.120 0.211 0.000 0.306 1070 V C 0.317 176.416 176.094 0.007 0.000 1.059 1070 V CA 0.671 62.977 62.300 0.010 0.000 1.138 1070 V CB 1.019 32.846 31.823 0.006 0.000 0.940 1070 V HN 0.488 nan 8.190 nan 0.000 0.489 1071 I N 3.363 123.940 120.570 0.011 0.000 2.362 1071 I HA 0.441 4.738 4.170 0.211 0.000 0.289 1071 I C 0.935 177.059 176.117 0.012 0.000 0.994 1071 I CA -0.266 61.040 61.300 0.010 0.000 1.158 1071 I CB 1.584 39.591 38.000 0.013 0.000 1.315 1071 I HN 0.744 nan 8.210 nan 0.000 0.451 1072 G N 6.340 115.144 108.800 0.008 0.000 2.441 1072 G HA2 0.177 4.264 3.960 0.211 0.000 0.243 1072 G HA3 0.177 4.264 3.960 0.211 0.000 0.243 1072 G C -1.954 172.952 174.900 0.010 0.000 1.281 1072 G CA -0.803 44.301 45.100 0.008 0.000 0.854 1072 G HN 0.423 nan 8.290 nan 0.000 0.560 1073 P HA -0.130 nan 4.420 nan 0.000 0.218 1073 P C 2.180 179.483 177.300 0.005 0.000 1.148 1073 P CA 1.708 64.816 63.100 0.014 0.000 0.822 1073 P CB 0.199 31.911 31.700 0.021 0.000 0.784 1074 S N -1.018 114.684 115.700 0.003 0.000 2.507 1074 S HA -0.079 4.518 4.470 0.211 0.000 0.235 1074 S C 1.757 176.353 174.600 -0.006 0.000 0.988 1074 S CA 1.139 59.337 58.200 -0.002 0.000 0.944 1074 S CB -1.308 61.891 63.200 -0.001 0.000 0.762 1074 S HN 0.238 nan 8.310 nan 0.000 0.526 1075 S N -0.004 115.694 115.700 -0.004 0.000 2.575 1075 S HA 0.379 4.976 4.470 0.211 0.000 0.215 1075 S C 0.012 174.607 174.600 -0.009 0.000 0.966 1075 S CA -0.604 57.593 58.200 -0.005 0.000 0.911 1075 S CB -0.334 62.866 63.200 0.000 0.000 0.780 1075 S HN 0.453 nan 8.310 nan 0.000 0.514 1076 L N 1.199 122.413 121.223 -0.016 0.000 2.362 1076 L HA 0.725 5.192 4.340 0.211 0.000 0.275 1076 L C -1.587 175.243 176.870 -0.067 0.000 0.998 1076 L CA -0.955 53.867 54.840 -0.030 0.000 0.820 1076 L CB 1.678 43.725 42.059 -0.020 0.000 1.270 1076 L HN 0.135 nan 8.230 nan 0.000 0.415 1077 I N 5.626 126.132 120.570 -0.107 0.000 2.382 1077 I HA 0.408 4.705 4.170 0.211 0.000 0.286 1077 I C -0.635 175.279 176.117 -0.338 0.000 1.002 1077 I CA -0.421 60.751 61.300 -0.214 0.000 1.135 1077 I CB 1.839 39.696 38.000 -0.239 0.000 1.288 1077 I HN 0.252 nan 8.210 nan 0.000 0.448 1078 V N 5.660 125.318 119.914 -0.427 0.000 2.383 1078 V HA 0.203 4.450 4.120 0.211 0.000 0.275 1078 V C 0.300 175.972 176.094 -0.704 0.000 1.036 1078 V CA -0.665 61.256 62.300 -0.633 0.000 0.889 1078 V CB 0.599 31.716 31.823 -1.175 0.000 0.985 1078 V HN 0.560 nan 8.190 nan 0.000 0.459 1079 H N 5.791 124.694 119.070 -0.279 0.000 2.923 1079 H HA 0.163 4.845 4.556 0.209 0.000 0.251 1079 H C 0.473 175.750 175.328 -0.086 0.000 1.741 1079 H CA -0.086 55.897 56.048 -0.109 0.000 1.387 1079 H CB 0.170 29.931 29.762 -0.002 0.000 1.740 1079 H HN 0.617 nan 8.280 nan 0.000 0.544 1080 F N 1.656 121.546 119.950 -0.099 0.000 2.494 1080 F HA -0.173 4.476 4.527 0.202 0.000 0.298 1080 F C 1.979 177.830 175.800 0.085 0.000 1.106 1080 F CA 0.686 58.523 58.000 -0.271 0.000 1.452 1080 F CB 0.026 38.827 39.000 -0.332 0.000 1.085 1080 F HN 0.474 nan 8.300 nan 0.000 0.569 1081 N N -0.039 118.833 118.700 0.287 0.000 2.235 1081 N HA -0.017 4.850 4.740 0.211 0.000 0.209 1081 N C -0.540 175.113 175.510 0.238 0.000 1.122 1081 N CA 0.181 53.377 53.050 0.242 0.000 0.845 1081 N CB -0.329 38.253 38.487 0.159 0.000 1.004 1081 N HN 0.265 nan 8.380 nan 0.000 0.499 1082 E N 0.753 121.142 120.200 0.315 0.000 2.593 1082 E HA 0.255 4.732 4.350 0.211 0.000 0.232 1082 E C -1.048 175.787 176.600 0.391 0.000 1.026 1082 E CA -0.526 56.049 56.400 0.292 0.000 0.772 1082 E CB 1.855 31.674 29.700 0.199 0.000 1.310 1082 E HN -0.050 nan 8.360 nan 0.000 0.413 1083 V N 4.046 124.117 119.914 0.261 0.000 2.530 1083 V HA 0.124 4.371 4.120 0.211 0.000 0.282 1083 V C 1.268 177.397 176.094 0.058 0.000 1.048 1083 V CA 0.243 62.596 62.300 0.088 0.000 0.997 1083 V CB 1.027 32.855 31.823 0.008 0.000 0.987 1083 V HN 0.722 nan 8.190 nan 0.000 0.477 1084 I N 2.768 123.303 120.570 -0.060 0.000 2.628 1084 I HA 0.289 4.586 4.170 0.211 0.000 0.255 1084 I C 1.145 177.217 176.117 -0.075 0.000 1.119 1084 I CA 0.969 62.220 61.300 -0.081 0.000 1.448 1084 I CB 0.317 38.206 38.000 -0.185 0.000 1.133 1084 I HN 0.751 nan 8.210 nan 0.000 0.438 1085 G N 0.748 109.474 108.800 -0.124 0.000 2.759 1085 G HA2 0.605 4.692 3.960 0.211 0.000 0.297 1085 G HA3 0.605 4.692 3.960 0.211 0.000 0.297 1085 G C -1.235 173.575 174.900 -0.150 0.000 1.434 1085 G CA -0.615 44.418 45.100 -0.111 0.000 0.980 1085 G HN -0.079 nan 8.290 nan 0.000 0.531 1086 R N 0.110 120.532 120.500 -0.131 0.000 2.562 1086 R HA 0.722 5.189 4.340 0.211 0.000 0.298 1086 R C 0.163 176.358 176.300 -0.175 0.000 0.961 1086 R CA -0.574 55.439 56.100 -0.144 0.000 0.881 1086 R CB 2.450 32.681 30.300 -0.116 0.000 1.159 1086 R HN 0.704 nan 8.270 nan 0.000 0.450 1087 G N -0.274 108.418 108.800 -0.180 0.000 3.013 1087 G HA2 0.211 4.298 3.960 0.211 0.000 0.278 1087 G HA3 0.211 4.298 3.960 0.211 0.000 0.278 1087 G C 0.091 174.809 174.900 -0.303 0.000 1.353 1087 G CA -0.433 44.508 45.100 -0.265 0.000 1.043 1087 G HN 0.592 nan 8.290 nan 0.000 0.523 1088 H N -0.628 118.300 119.070 -0.236 0.000 2.372 1088 H HA 0.050 4.646 4.556 0.067 0.000 0.301 1088 H C 1.918 177.190 175.328 -0.092 0.000 1.065 1088 H CA 1.257 57.138 56.048 -0.278 0.000 1.364 1088 H CB 0.172 29.585 29.762 -0.582 0.000 1.406 1088 H HN 0.359 nan 8.280 nan 0.000 0.521 1089 F N 0.372 120.387 119.950 0.108 0.000 2.530 1089 F HA 0.318 4.925 4.527 0.133 0.000 0.292 1089 F C 1.608 177.399 175.800 -0.015 0.000 1.109 1089 F CA 0.282 58.305 58.000 0.039 0.000 1.450 1089 F CB -0.037 38.986 39.000 0.038 0.000 1.114 1089 F HN 0.036 nan 8.300 nan 0.000 0.560 1090 G N -1.837 107.040 108.800 0.128 0.000 2.766 1090 G HA2 0.501 4.588 3.960 0.211 0.000 0.288 1090 G HA3 0.501 4.588 3.960 0.211 0.000 0.288 1090 G C -1.976 172.924 174.900 0.001 0.000 1.408 1090 G CA -0.632 44.503 45.100 0.058 0.000 0.852 1090 G HN 0.084 nan 8.290 nan 0.000 0.487 1091 C N -0.419 118.868 119.300 -0.022 0.000 2.898 1091 C HA 0.824 5.411 4.460 0.211 0.000 0.304 1091 C C -0.795 174.035 174.990 -0.266 0.000 1.237 1091 C CA -0.280 58.615 59.018 -0.204 0.000 1.529 1091 C CB 1.063 28.623 27.740 -0.299 0.000 2.021 1091 C HN 0.640 nan 8.230 nan 0.000 0.474 1092 V N 4.554 124.242 119.914 -0.376 0.000 2.540 1092 V HA 0.544 4.791 4.120 0.211 0.000 0.302 1092 V C -1.157 174.708 176.094 -0.382 0.000 1.035 1092 V CA -0.355 61.805 62.300 -0.232 0.000 0.873 1092 V CB 1.339 33.094 31.823 -0.114 0.000 0.992 1092 V HN 0.854 nan 8.190 nan 0.000 0.428 1093 Y N 1.808 122.111 120.300 0.006 0.000 2.562 1093 Y HA 0.548 5.227 4.550 0.215 0.000 0.343 1093 Y C 0.710 176.602 175.900 -0.013 0.000 1.025 1093 Y CA -0.997 57.108 58.100 0.009 0.000 1.082 1093 Y CB 1.213 39.653 38.460 -0.033 0.000 1.264 1093 Y HN 0.539 nan 8.280 nan 0.000 0.478 1094 H N 0.327 119.536 119.070 0.231 0.000 2.771 1094 H HA 0.432 5.116 4.556 0.213 0.000 0.364 1094 H C 0.086 175.557 175.328 0.239 0.000 1.133 1094 H CA 0.629 56.782 56.048 0.174 0.000 1.423 1094 H CB 1.075 30.859 29.762 0.037 0.000 1.425 1094 H HN 0.902 nan 8.280 nan 0.000 0.606 1095 G N 0.284 109.302 108.800 0.363 0.000 2.695 1095 G HA2 0.416 4.503 3.960 0.211 0.000 0.290 1095 G HA3 0.416 4.503 3.960 0.211 0.000 0.290 1095 G C -1.223 173.836 174.900 0.265 0.000 1.410 1095 G CA -0.530 44.746 45.100 0.292 0.000 0.844 1095 G HN 0.495 nan 8.290 nan 0.000 0.478 1096 T N 0.799 115.448 114.554 0.157 0.000 2.879 1096 T HA 0.560 5.037 4.350 0.211 0.000 0.290 1096 T C -0.443 174.283 174.700 0.042 0.000 0.993 1096 T CA -0.258 61.906 62.100 0.106 0.000 0.975 1096 T CB 1.321 70.262 68.868 0.122 0.000 0.981 1096 T HN 0.348 nan 8.240 nan 0.000 0.439 1097 L N 3.148 124.398 121.223 0.044 0.000 2.331 1097 L HA 0.616 5.083 4.340 0.211 0.000 0.275 1097 L C -0.718 176.162 176.870 0.018 0.000 1.022 1097 L CA -1.064 53.790 54.840 0.024 0.000 0.812 1097 L CB 1.470 43.547 42.059 0.030 0.000 1.257 1097 L HN 0.420 nan 8.230 nan 0.000 0.435 1098 L N 2.651 123.879 121.223 0.008 0.000 2.272 1098 L HA 0.289 4.756 4.340 0.211 0.000 0.289 1098 L C -0.189 176.685 176.870 0.007 0.000 1.032 1098 L CA -0.784 54.059 54.840 0.006 0.000 0.810 1098 L CB 1.322 43.381 42.059 0.000 0.000 1.205 1098 L HN 0.606 nan 8.230 nan 0.000 0.422 1099 D N 1.461 121.866 120.400 0.009 0.000 2.414 1099 D HA -0.056 4.711 4.640 0.211 0.000 0.259 1099 D C 0.650 176.953 176.300 0.005 0.000 1.269 1099 D CA -0.389 53.616 54.000 0.008 0.000 1.028 1099 D CB 0.524 41.330 40.800 0.010 0.000 1.093 1099 D HN 0.306 nan 8.370 nan 0.000 0.545 1100 N N -1.228 117.475 118.700 0.004 0.000 2.520 1100 N HA -0.117 4.750 4.740 0.211 0.000 0.185 1100 N C 0.187 175.699 175.510 0.002 0.000 1.068 1100 N CA 0.600 53.651 53.050 0.002 0.000 0.911 1100 N CB -0.023 38.465 38.487 0.002 0.000 0.961 1100 N HN 0.414 nan 8.380 nan 0.000 0.446 1101 D N -1.661 118.741 120.400 0.003 0.000 2.431 1101 D HA 0.233 5.000 4.640 0.211 0.000 0.213 1101 D C 0.813 177.114 176.300 0.002 0.000 1.130 1101 D CA 0.398 54.400 54.000 0.002 0.000 0.834 1101 D CB -0.055 40.747 40.800 0.003 0.000 0.985 1101 D HN 0.205 nan 8.370 nan 0.000 0.504 1102 G N 1.017 109.818 108.800 0.002 0.000 2.157 1102 G HA2 -0.233 3.853 3.960 0.211 0.000 0.239 1102 G HA3 -0.233 3.853 3.960 0.211 0.000 0.239 1102 G C 0.228 175.129 174.900 0.002 0.000 0.982 1102 G CA -0.080 45.021 45.100 0.001 0.000 0.650 1102 G HN 0.216 nan 8.290 nan 0.000 0.527 1103 K N 0.708 121.110 120.400 0.004 0.000 2.185 1103 K HA 0.412 4.859 4.320 0.211 0.000 0.271 1103 K C 0.457 177.061 176.600 0.008 0.000 1.013 1103 K CA -0.236 56.055 56.287 0.006 0.000 0.943 1103 K CB 1.130 33.635 32.500 0.009 0.000 0.998 1103 K HN 0.292 nan 8.250 nan 0.000 0.468 1104 K N 1.958 122.362 120.400 0.007 0.000 2.205 1104 K HA 0.381 4.828 4.320 0.211 0.000 0.279 1104 K C -0.057 176.557 176.600 0.023 0.000 1.027 1104 K CA -0.250 56.043 56.287 0.009 0.000 0.932 1104 K CB 0.701 33.197 32.500 -0.005 0.000 1.032 1104 K HN 0.406 nan 8.250 nan 0.000 0.466 1105 I N 2.199 122.792 120.570 0.039 0.000 2.418 1105 I HA 0.133 4.430 4.170 0.211 0.000 0.287 1105 I C -0.138 176.048 176.117 0.114 0.000 1.008 1105 I CA -0.707 60.633 61.300 0.066 0.000 1.104 1105 I CB 1.415 39.448 38.000 0.055 0.000 1.264 1105 I HN 0.619 nan 8.210 nan 0.000 0.438 1106 H N 5.924 124.994 119.070 0.001 0.000 2.848 1106 H HA 0.366 5.049 4.556 0.210 0.000 0.317 1106 H C -0.453 174.898 175.328 0.038 0.000 1.046 1106 H CA -0.580 55.452 56.048 -0.027 0.000 1.470 1106 H CB 0.764 30.463 29.762 -0.105 0.000 1.483 1106 H HN 0.845 nan 8.280 nan 0.000 0.548 1107 C N 2.932 122.388 119.300 0.260 0.000 3.213 1107 C HA 0.914 5.501 4.460 0.211 0.000 0.319 1107 C C -0.402 174.673 174.990 0.143 0.000 1.386 1107 C CA -0.760 58.345 59.018 0.145 0.000 1.494 1107 C CB 0.793 28.594 27.740 0.102 0.000 1.905 1107 C HN 0.929 nan 8.230 nan 0.000 0.456 1108 A N 0.428 123.306 122.820 0.097 0.000 2.342 1108 A HA 0.802 5.249 4.320 0.211 0.000 0.323 1108 A C -0.980 176.646 177.584 0.070 0.000 1.125 1108 A CA -0.445 51.633 52.037 0.069 0.000 0.785 1108 A CB 0.993 20.007 19.000 0.024 0.000 1.221 1108 A HN 1.358 nan 8.150 nan 0.000 0.463 1109 V N 3.422 123.395 119.914 0.099 0.000 2.444 1109 V HA 0.334 4.581 4.120 0.211 0.000 0.294 1109 V C -0.175 176.037 176.094 0.197 0.000 1.022 1109 V CA -0.688 61.687 62.300 0.125 0.000 0.850 1109 V CB 1.599 33.478 31.823 0.092 0.000 0.992 1109 V HN 0.900 nan 8.190 nan 0.000 0.426 1110 K N 2.415 122.936 120.400 0.202 0.000 2.130 1110 K HA 0.743 5.190 4.320 0.211 0.000 0.268 1110 K C -0.290 176.590 176.600 0.466 0.000 0.983 1110 K CA -0.277 56.183 56.287 0.288 0.000 0.893 1110 K CB 2.003 34.670 32.500 0.279 0.000 1.066 1110 K HN 0.646 nan 8.250 nan 0.000 0.450 1111 S N 2.151 118.078 115.700 0.379 0.000 2.627 1111 S HA 0.540 5.137 4.470 0.211 0.000 0.283 1111 S C -1.155 173.380 174.600 -0.108 0.000 1.127 1111 S CA -0.834 57.502 58.200 0.226 0.000 0.863 1111 S CB 0.886 64.314 63.200 0.380 0.000 1.121 1111 S HN 0.446 nan 8.310 nan 0.000 0.479 1112 L N 3.491 124.494 121.223 -0.365 0.000 2.307 1112 L HA 0.469 4.936 4.340 0.211 0.000 0.282 1112 L C 0.907 177.725 176.870 -0.086 0.000 1.051 1112 L CA -0.817 53.818 54.840 -0.342 0.000 0.804 1112 L CB 1.096 42.865 42.059 -0.484 0.000 1.197 1112 L HN 0.700 nan 8.230 nan 0.000 0.431 1113 N N 1.599 120.297 118.700 -0.004 0.000 2.171 1113 N HA -0.007 4.860 4.740 0.211 0.000 0.184 1113 N C 0.320 175.842 175.510 0.020 0.000 1.021 1113 N CA 1.129 54.207 53.050 0.046 0.000 0.854 1113 N CB 0.172 38.711 38.487 0.085 0.000 0.994 1113 N HN 0.477 nan 8.380 nan 0.000 0.426 1114 R N 0.085 120.586 120.500 0.002 0.000 2.533 1114 R HA 0.445 4.912 4.340 0.211 0.000 0.288 1114 R C -1.429 174.839 176.300 -0.053 0.000 1.039 1114 R CA -0.392 55.699 56.100 -0.015 0.000 0.909 1114 R CB 1.380 31.684 30.300 0.007 0.000 1.195 1114 R HN -0.047 nan 8.270 nan 0.000 0.438 1115 I N 3.281 123.818 120.570 -0.056 0.000 2.362 1115 I HA 0.226 4.522 4.170 0.211 0.000 0.289 1115 I C 1.081 177.165 176.117 -0.054 0.000 0.994 1115 I CA -0.234 61.023 61.300 -0.072 0.000 1.158 1115 I CB 2.191 40.149 38.000 -0.070 0.000 1.315 1115 I HN 0.776 nan 8.210 nan 0.000 0.451 1116 T N -0.278 114.238 114.554 -0.064 0.000 2.954 1116 T HA 0.216 4.692 4.350 0.211 0.000 0.252 1116 T C -0.086 174.587 174.700 -0.044 0.000 0.983 1116 T CA -0.110 61.961 62.100 -0.048 0.000 0.941 1116 T CB 0.030 68.870 68.868 -0.047 0.000 1.141 1116 T HN 0.615 nan 8.240 nan 0.000 0.500 1117 D N -0.367 120.000 120.400 -0.055 0.000 2.661 1117 D HA 0.439 5.205 4.640 0.211 0.000 0.228 1117 D C 0.628 176.905 176.300 -0.038 0.000 1.183 1117 D CA -0.994 52.980 54.000 -0.043 0.000 0.844 1117 D CB 0.991 41.765 40.800 -0.043 0.000 1.555 1117 D HN -0.113 nan 8.370 nan 0.000 0.453 1118 I N 1.552 122.107 120.570 -0.025 0.000 2.361 1118 I HA 0.053 4.349 4.170 0.211 0.000 0.251 1118 I C 2.067 178.178 176.117 -0.009 0.000 1.133 1118 I CA 1.910 63.201 61.300 -0.016 0.000 1.413 1118 I CB -0.464 37.530 38.000 -0.010 0.000 1.073 1118 I HN 0.716 nan 8.210 nan 0.000 0.424 1119 G N -0.349 108.441 108.800 -0.016 0.000 2.440 1119 G HA2 -0.251 3.836 3.960 0.211 0.000 0.218 1119 G HA3 -0.251 3.836 3.960 0.211 0.000 0.218 1119 G C 1.524 176.419 174.900 -0.008 0.000 1.154 1119 G CA 0.871 45.965 45.100 -0.011 0.000 0.767 1119 G HN 0.501 nan 8.290 nan 0.000 0.552 1120 E N -0.040 120.139 120.200 -0.035 0.000 2.058 1120 E HA -0.108 4.369 4.350 0.211 0.000 0.194 1120 E C 2.739 179.355 176.600 0.026 0.000 0.997 1120 E CA 1.143 57.517 56.400 -0.044 0.000 0.801 1120 E CB -0.187 29.446 29.700 -0.112 0.000 0.746 1120 E HN 0.319 nan 8.360 nan 0.000 0.450 1121 V N 0.890 120.818 119.914 0.023 0.000 2.295 1121 V HA -0.269 3.978 4.120 0.211 0.000 0.246 1121 V C 2.437 178.608 176.094 0.130 0.000 1.049 1121 V CA 1.892 64.244 62.300 0.086 0.000 1.024 1121 V CB -0.568 31.279 31.823 0.041 0.000 0.648 1121 V HN 0.253 nan 8.190 nan 0.000 0.447 1122 S N -0.908 114.833 115.700 0.069 0.000 2.359 1122 S HA -0.289 4.308 4.470 0.211 0.000 0.224 1122 S C 2.084 176.727 174.600 0.071 0.000 1.035 1122 S CA 1.985 60.218 58.200 0.056 0.000 1.018 1122 S CB -0.261 62.956 63.200 0.029 0.000 0.876 1122 S HN 0.678 nan 8.310 nan 0.000 0.448 1123 Q N -0.834 119.015 119.800 0.082 0.000 2.050 1123 Q HA -0.142 4.325 4.340 0.211 0.000 0.202 1123 Q C 1.964 178.050 176.000 0.144 0.000 0.980 1123 Q CA 1.671 57.529 55.803 0.093 0.000 0.840 1123 Q CB -0.403 28.387 28.738 0.086 0.000 0.898 1123 Q HN 0.693 nan 8.270 nan 0.000 0.424 1124 F N 1.394 121.358 119.950 0.022 0.000 2.102 1124 F HA -0.180 4.487 4.527 0.233 0.000 0.298 1124 F C 1.868 177.686 175.800 0.031 0.000 1.105 1124 F CA 1.245 59.266 58.000 0.035 0.000 1.239 1124 F CB -0.192 38.829 39.000 0.035 0.000 0.991 1124 F HN -0.053 nan 8.300 nan 0.000 0.474 1125 L N -0.833 120.397 121.223 0.012 0.000 2.109 1125 L HA -0.177 4.290 4.340 0.211 0.000 0.207 1125 L C 2.312 179.122 176.870 -0.099 0.000 1.086 1125 L CA 1.531 56.305 54.840 -0.109 0.000 0.760 1125 L CB -1.140 40.920 42.059 0.002 0.000 0.910 1125 L HN 0.098 nan 8.230 nan 0.000 0.437 1126 T N -0.465 114.068 114.554 -0.035 0.000 2.746 1126 T HA -0.194 4.283 4.350 0.211 0.000 0.267 1126 T C 1.695 176.375 174.700 -0.034 0.000 1.039 1126 T CA 1.434 63.517 62.100 -0.028 0.000 1.142 1126 T CB -0.174 68.696 68.868 0.003 0.000 0.866 1126 T HN 0.409 nan 8.240 nan 0.000 0.444 1127 E N 0.409 120.589 120.200 -0.032 0.000 2.153 1127 E HA -0.063 4.414 4.350 0.211 0.000 0.194 1127 E C 2.484 179.055 176.600 -0.049 0.000 0.988 1127 E CA 0.936 57.331 56.400 -0.009 0.000 0.811 1127 E CB -0.297 29.406 29.700 0.005 0.000 0.746 1127 E HN 0.548 nan 8.360 nan 0.000 0.466 1128 G N 1.048 109.751 108.800 -0.161 0.000 2.396 1128 G HA2 -0.150 3.937 3.960 0.211 0.000 0.214 1128 G HA3 -0.150 3.937 3.960 0.211 0.000 0.214 1128 G C 1.494 176.332 174.900 -0.103 0.000 1.166 1128 G CA 0.035 45.043 45.100 -0.152 0.000 0.793 1128 G HN 0.076 nan 8.290 nan 0.000 0.533 1129 I N 1.066 121.569 120.570 -0.113 0.000 2.676 1129 I HA 0.041 4.338 4.170 0.211 0.000 0.259 1129 I C 2.454 178.465 176.117 -0.176 0.000 1.194 1129 I CA 0.373 61.598 61.300 -0.124 0.000 1.473 1129 I CB -0.576 37.361 38.000 -0.106 0.000 1.096 1129 I HN 0.173 nan 8.210 nan 0.000 0.443 1130 I N 0.254 120.732 120.570 -0.153 0.000 2.335 1130 I HA -0.335 3.961 4.170 0.211 0.000 0.251 1130 I C 2.344 178.171 176.117 -0.483 0.000 1.129 1130 I CA 1.385 62.532 61.300 -0.255 0.000 1.402 1130 I CB 0.173 38.112 38.000 -0.101 0.000 1.069 1130 I HN 0.142 nan 8.210 nan 0.000 0.424 1131 M N -0.296 119.148 119.600 -0.260 0.000 2.562 1131 M HA -0.146 4.461 4.480 0.211 0.000 0.257 1131 M C 2.028 178.168 176.300 -0.266 0.000 1.099 1131 M CA 0.815 56.004 55.300 -0.186 0.000 1.099 1131 M CB -0.152 32.489 32.600 0.067 0.000 1.427 1131 M HN 0.085 nan 8.290 nan 0.000 0.489 1132 K N 1.034 121.260 120.400 -0.289 0.000 2.059 1132 K HA -0.217 4.229 4.320 0.211 0.000 0.212 1132 K C 0.745 177.194 176.600 -0.251 0.000 1.050 1132 K CA 1.855 58.006 56.287 -0.226 0.000 0.927 1132 K CB 0.041 32.417 32.500 -0.207 0.000 0.714 1132 K HN 0.274 nan 8.250 nan 0.000 0.447 1133 D N -0.608 119.527 120.400 -0.443 0.000 2.339 1133 D HA 0.028 4.794 4.640 0.211 0.000 0.217 1133 D C -0.338 175.849 176.300 -0.188 0.000 1.050 1133 D CA 0.288 54.086 54.000 -0.337 0.000 0.856 1133 D CB 0.102 40.686 40.800 -0.360 0.000 0.922 1133 D HN 0.018 nan 8.370 nan 0.000 0.518 1134 F N 0.652 120.571 119.950 -0.051 0.000 2.397 1134 F HA 0.409 5.062 4.527 0.209 0.000 0.331 1134 F C 0.828 176.648 175.800 0.033 0.000 1.090 1134 F CA -1.561 56.485 58.000 0.076 0.000 1.065 1134 F CB 1.638 40.656 39.000 0.030 0.000 1.184 1134 F HN -0.414 nan 8.300 nan 0.000 0.499 1135 S N 2.181 118.018 115.700 0.229 0.000 2.571 1135 S HA 0.312 4.909 4.470 0.211 0.000 0.238 1135 S C -1.696 172.741 174.600 -0.272 0.000 1.153 1135 S CA -0.317 57.883 58.200 0.001 0.000 1.141 1135 S CB -0.193 63.035 63.200 0.046 0.000 1.133 1135 S HN 0.790 nan 8.310 nan 0.000 0.464 1136 H N 4.356 123.152 119.070 -0.457 0.000 3.038 1136 H HA 0.377 5.059 4.556 0.211 0.000 0.362 1136 H C -2.566 172.584 175.328 -0.297 0.000 1.167 1136 H CA -1.399 54.304 56.048 -0.574 0.000 1.197 1136 H CB 2.496 31.591 29.762 -1.111 0.000 1.840 1136 H HN 0.305 nan 8.280 nan 0.000 0.540 1137 P HA -0.034 nan 4.420 nan 0.000 0.222 1137 P C -0.001 177.187 177.300 -0.186 0.000 1.147 1137 P CA 1.083 63.998 63.100 -0.310 0.000 0.790 1137 P CB 0.316 31.821 31.700 -0.324 0.000 0.780 1138 N N -1.091 117.661 118.700 0.087 0.000 2.273 1138 N HA 0.171 5.038 4.740 0.211 0.000 0.231 1138 N C -0.867 174.671 175.510 0.047 0.000 1.134 1138 N CA -0.145 52.938 53.050 0.055 0.000 0.856 1138 N CB 0.696 39.239 38.487 0.093 0.000 1.068 1138 N HN -0.099 nan 8.380 nan 0.000 0.510 1139 V N 1.430 121.372 119.914 0.046 0.000 2.588 1139 V HA 0.279 4.526 4.120 0.211 0.000 0.304 1139 V C -0.408 175.727 176.094 0.068 0.000 1.042 1139 V CA -1.030 61.311 62.300 0.070 0.000 0.877 1139 V CB 2.126 33.981 31.823 0.054 0.000 0.996 1139 V HN 0.085 nan 8.190 nan 0.000 0.425 1140 L N 5.246 126.520 121.223 0.086 0.000 2.499 1140 L HA 0.371 4.838 4.340 0.211 0.000 0.273 1140 L C 0.768 177.694 176.870 0.094 0.000 1.195 1140 L CA 0.936 55.802 54.840 0.043 0.000 0.882 1140 L CB 1.063 43.118 42.059 -0.006 0.000 1.133 1140 L HN 0.931 nan 8.230 nan 0.000 0.483 1141 S N 4.869 120.591 115.700 0.037 0.000 2.713 1141 S HA 0.680 5.276 4.470 0.211 0.000 0.283 1141 S C -0.539 174.071 174.600 0.018 0.000 1.161 1141 S CA -0.963 57.258 58.200 0.035 0.000 0.999 1141 S CB 1.553 64.759 63.200 0.009 0.000 1.039 1141 S HN 0.652 nan 8.310 nan 0.000 0.548 1142 L N 1.419 122.644 121.223 0.004 0.000 2.296 1142 L HA 0.497 4.964 4.340 0.211 0.000 0.286 1142 L C 0.241 177.105 176.870 -0.011 0.000 1.023 1142 L CA -0.495 54.338 54.840 -0.011 0.000 0.812 1142 L CB 0.769 42.809 42.059 -0.032 0.000 1.223 1142 L HN 0.899 nan 8.230 nan 0.000 0.421 1143 L N 4.225 125.444 121.223 -0.006 0.000 2.162 1143 L HA 0.458 4.925 4.340 0.211 0.000 0.205 1143 L C 1.044 177.914 176.870 -0.001 0.000 1.086 1143 L CA 0.692 55.532 54.840 0.001 0.000 0.778 1143 L CB -0.353 41.712 42.059 0.010 0.000 0.928 1143 L HN 0.875 nan 8.230 nan 0.000 0.446 1144 G N -0.408 108.389 108.800 -0.005 0.000 2.324 1144 G HA2 0.292 4.379 3.960 0.211 0.000 0.293 1144 G HA3 0.292 4.379 3.960 0.211 0.000 0.293 1144 G C -1.797 173.099 174.900 -0.006 0.000 1.297 1144 G CA -0.768 44.330 45.100 -0.005 0.000 0.853 1144 G HN -0.111 nan 8.290 nan 0.000 0.535 1145 I N 0.026 120.596 120.570 0.001 0.000 2.498 1145 I HA 0.466 4.762 4.170 0.211 0.000 0.290 1145 I C -0.400 175.733 176.117 0.027 0.000 1.032 1145 I CA -0.722 60.583 61.300 0.009 0.000 1.073 1145 I CB 2.095 40.092 38.000 -0.004 0.000 1.251 1145 I HN 0.653 nan 8.210 nan 0.000 0.426 1146 C N 8.029 127.356 119.300 0.045 0.000 2.303 1146 C HA 0.686 5.272 4.460 0.211 0.000 0.326 1146 C C -0.670 174.357 174.990 0.062 0.000 1.285 1146 C CA -0.428 58.618 59.018 0.047 0.000 1.675 1146 C CB 0.041 27.808 27.740 0.045 0.000 2.289 1146 C HN 0.559 nan 8.230 nan 0.000 0.512 1147 L N 7.406 128.659 121.223 0.049 0.000 2.384 1147 L HA 0.518 4.985 4.340 0.211 0.000 0.261 1147 L C 0.544 177.441 176.870 0.045 0.000 1.024 1147 L CA 0.009 54.878 54.840 0.047 0.000 0.899 1147 L CB 0.199 42.278 42.059 0.033 0.000 1.243 1147 L HN 0.693 nan 8.230 nan 0.000 0.449 1148 R N 0.146 120.677 120.500 0.053 0.000 2.726 1148 R HA 0.266 4.733 4.340 0.211 0.000 0.272 1148 R C 1.424 177.760 176.300 0.061 0.000 1.097 1148 R CA 0.323 56.455 56.100 0.053 0.000 1.198 1148 R CB 0.427 30.761 30.300 0.056 0.000 1.114 1148 R HN 0.654 nan 8.270 nan 0.000 0.550 1149 S N -0.199 115.545 115.700 0.073 0.000 2.399 1149 S HA -0.134 4.463 4.470 0.211 0.000 0.231 1149 S C 0.166 174.866 174.600 0.167 0.000 1.022 1149 S CA 1.023 59.297 58.200 0.122 0.000 0.983 1149 S CB -0.111 63.144 63.200 0.091 0.000 0.803 1149 S HN 0.567 nan 8.310 nan 0.000 0.480 1150 E N -0.563 119.696 120.200 0.098 0.000 2.392 1150 E HA 0.701 5.177 4.350 0.211 0.000 0.269 1150 E C 0.145 176.770 176.600 0.041 0.000 0.924 1150 E CA 0.007 56.457 56.400 0.083 0.000 0.784 1150 E CB 1.655 31.391 29.700 0.060 0.000 1.292 1150 E HN 0.467 nan 8.360 nan 0.000 0.447 1151 G N 0.379 109.192 108.800 0.023 0.000 2.757 1151 G HA2 -0.150 3.937 3.960 0.211 0.000 0.638 1151 G HA3 -0.150 3.937 3.960 0.211 0.000 0.638 1151 G C -0.211 174.698 174.900 0.014 0.000 1.344 1151 G CA -0.384 44.721 45.100 0.009 0.000 0.855 1151 G HN 0.607 nan 8.290 nan 0.000 0.537 1152 S N 0.762 116.473 115.700 0.018 0.000 2.572 1152 S HA 0.573 5.170 4.470 0.211 0.000 0.279 1152 S C -1.606 173.047 174.600 0.089 0.000 1.341 1152 S CA -0.184 58.025 58.200 0.016 0.000 1.043 1152 S CB 0.520 63.711 63.200 -0.014 0.000 0.887 1152 S HN 0.595 nan 8.310 nan 0.000 0.516 1153 P HA 0.270 nan 4.420 nan 0.000 0.272 1153 P C -1.171 176.325 177.300 0.326 0.000 1.230 1153 P CA -0.096 63.130 63.100 0.210 0.000 0.788 1153 P CB 0.320 32.180 31.700 0.267 0.000 0.949 1154 L N 1.432 122.804 121.223 0.247 0.000 2.356 1154 L HA 0.433 4.900 4.340 0.211 0.000 0.277 1154 L C -0.528 176.438 176.870 0.161 0.000 0.996 1154 L CA -1.051 53.940 54.840 0.252 0.000 0.822 1154 L CB 1.973 44.127 42.059 0.158 0.000 1.256 1154 L HN 0.023 nan 8.230 nan 0.000 0.413 1155 V N 4.349 124.346 119.914 0.138 0.000 2.383 1155 V HA 0.316 4.563 4.120 0.211 0.000 0.275 1155 V C 0.044 176.151 176.094 0.022 0.000 1.036 1155 V CA -0.506 61.777 62.300 -0.028 0.000 0.889 1155 V CB 1.885 33.557 31.823 -0.251 0.000 0.985 1155 V HN 0.424 nan 8.190 nan 0.000 0.459 1156 V N 7.429 127.349 119.914 0.010 0.000 2.370 1156 V HA 0.528 4.775 4.120 0.211 0.000 0.283 1156 V C -0.078 176.022 176.094 0.009 0.000 1.023 1156 V CA -0.375 61.939 62.300 0.024 0.000 0.857 1156 V CB 1.362 33.200 31.823 0.026 0.000 0.985 1156 V HN 0.624 nan 8.190 nan 0.000 0.443 1157 L N 5.848 127.079 121.223 0.013 0.000 2.301 1157 L HA 0.637 5.103 4.340 0.211 0.000 0.264 1157 L C -2.559 174.315 176.870 0.006 0.000 1.016 1157 L CA -2.303 52.537 54.840 -0.001 0.000 0.821 1157 L CB 2.549 44.598 42.059 -0.018 0.000 1.346 1157 L HN 0.359 nan 8.230 nan 0.000 0.429 1158 P HA -0.009 nan 4.420 nan 0.000 0.271 1158 P C -1.266 176.016 177.300 -0.029 0.000 1.216 1158 P CA 0.036 63.130 63.100 -0.009 0.000 0.776 1158 P CB 0.219 31.896 31.700 -0.037 0.000 0.881 1159 Y N 3.153 123.350 120.300 -0.171 0.000 2.425 1159 Y HA 0.234 4.909 4.550 0.208 0.000 0.331 1159 Y C 0.054 175.798 175.900 -0.261 0.000 1.157 1159 Y CA -0.024 57.901 58.100 -0.291 0.000 1.372 1159 Y CB 0.476 38.590 38.460 -0.578 0.000 1.253 1159 Y HN 0.189 nan 8.280 nan 0.000 0.536 1160 M N 7.707 126.742 119.600 -0.942 0.000 2.027 1160 M HA 0.145 4.751 4.480 0.211 0.000 0.329 1160 M C 0.827 176.476 176.300 -1.084 0.000 0.971 1160 M CA -0.350 54.494 55.300 -0.760 0.000 0.933 1160 M CB 1.352 33.678 32.600 -0.458 0.000 1.392 1160 M HN 0.842 nan 8.290 nan 0.000 0.394 1161 K N 1.779 121.566 120.400 -1.022 0.000 2.113 1161 K HA -0.173 4.274 4.320 0.211 0.000 0.208 1161 K C 0.828 176.991 176.600 -0.729 0.000 1.047 1161 K CA 1.604 57.375 56.287 -0.860 0.000 0.928 1161 K CB 0.270 32.349 32.500 -0.702 0.000 0.716 1161 K HN 0.592 nan 8.250 nan 0.000 0.446 1162 H N -0.513 118.336 119.070 -0.367 0.000 2.517 1162 H HA 0.171 4.853 4.556 0.211 0.000 0.282 1162 H C 1.109 176.357 175.328 -0.132 0.000 1.023 1162 H CA 0.527 56.452 56.048 -0.206 0.000 1.169 1162 H CB 0.239 29.779 29.762 -0.370 0.000 1.454 1162 H HN 0.493 nan 8.280 nan 0.000 0.556 1163 G N 2.051 110.753 108.800 -0.162 0.000 2.564 1163 G HA2 -0.284 3.803 3.960 0.211 0.000 0.273 1163 G HA3 -0.284 3.803 3.960 0.211 0.000 0.273 1163 G C 0.012 174.855 174.900 -0.096 0.000 1.242 1163 G CA 0.129 45.160 45.100 -0.114 0.000 0.951 1163 G HN 0.529 nan 8.290 nan 0.000 0.564 1164 D N 0.313 120.687 120.400 -0.043 0.000 2.313 1164 D HA 0.325 5.092 4.640 0.211 0.000 0.247 1164 D C 1.635 177.931 176.300 -0.008 0.000 1.094 1164 D CA -0.328 53.642 54.000 -0.050 0.000 0.925 1164 D CB 1.749 42.526 40.800 -0.039 0.000 1.188 1164 D HN 0.448 nan 8.370 nan 0.000 0.430 1165 L N 2.047 123.234 121.223 -0.059 0.000 2.083 1165 L HA -0.154 4.313 4.340 0.211 0.000 0.209 1165 L C 2.671 179.592 176.870 0.084 0.000 1.083 1165 L CA 1.640 56.448 54.840 -0.054 0.000 0.752 1165 L CB -0.786 41.205 42.059 -0.112 0.000 0.899 1165 L HN 0.581 nan 8.230 nan 0.000 0.433 1166 R N -0.751 119.795 120.500 0.077 0.000 2.073 1166 R HA -0.167 4.300 4.340 0.211 0.000 0.234 1166 R C 2.058 178.432 176.300 0.123 0.000 1.134 1166 R CA 1.696 57.861 56.100 0.110 0.000 0.952 1166 R CB -0.228 30.130 30.300 0.098 0.000 0.850 1166 R HN 0.470 nan 8.270 nan 0.000 0.433 1167 N N 0.010 118.778 118.700 0.114 0.000 2.244 1167 N HA -0.173 4.693 4.740 0.211 0.000 0.183 1167 N C 1.528 177.143 175.510 0.175 0.000 1.016 1167 N CA 1.005 54.123 53.050 0.114 0.000 0.866 1167 N CB -0.288 38.254 38.487 0.093 0.000 0.980 1167 N HN 0.186 nan 8.380 nan 0.000 0.430 1168 F N 2.626 122.637 119.950 0.102 0.000 2.102 1168 F HA -0.082 4.571 4.527 0.209 0.000 0.298 1168 F C 2.192 178.150 175.800 0.263 0.000 1.105 1168 F CA 1.105 59.235 58.000 0.216 0.000 1.239 1168 F CB -0.268 38.761 39.000 0.049 0.000 0.991 1168 F HN -0.021 nan 8.300 nan 0.000 0.474 1169 I N -1.620 119.118 120.570 0.280 0.000 3.111 1169 I HA -0.039 4.258 4.170 0.211 0.000 0.272 1169 I C 1.911 178.064 176.117 0.061 0.000 1.268 1169 I CA 0.933 62.345 61.300 0.187 0.000 1.467 1169 I CB -0.544 37.606 38.000 0.250 0.000 1.087 1169 I HN 0.072 nan 8.210 nan 0.000 0.467 1170 R N 1.305 121.828 120.500 0.039 0.000 2.275 1170 R HA 0.108 4.574 4.340 0.211 0.000 0.199 1170 R C 0.689 176.945 176.300 -0.073 0.000 0.989 1170 R CA -0.065 56.033 56.100 -0.003 0.000 1.016 1170 R CB -0.203 30.109 30.300 0.019 0.000 0.918 1170 R HN 0.359 nan 8.270 nan 0.000 0.473 1171 N N 2.047 120.652 118.700 -0.160 0.000 2.420 1171 N HA -0.049 4.818 4.740 0.211 0.000 0.262 1171 N C 0.330 175.662 175.510 -0.297 0.000 1.144 1171 N CA 0.331 53.182 53.050 -0.331 0.000 0.952 1171 N CB 0.942 38.981 38.487 -0.748 0.000 1.081 1171 N HN 0.165 nan 8.380 nan 0.000 0.480 1172 E N 1.771 121.855 120.200 -0.193 0.000 2.267 1172 E HA -0.121 4.356 4.350 0.211 0.000 0.197 1172 E C 0.608 177.130 176.600 -0.130 0.000 0.998 1172 E CA 1.157 57.481 56.400 -0.127 0.000 0.830 1172 E CB 0.092 29.742 29.700 -0.084 0.000 0.751 1172 E HN 0.615 nan 8.360 nan 0.000 0.491 1173 T N -0.336 114.094 114.554 -0.207 0.000 3.088 1173 T HA -0.006 4.471 4.350 0.211 0.000 0.259 1173 T C 1.244 175.930 174.700 -0.024 0.000 1.122 1173 T CA 0.599 62.626 62.100 -0.122 0.000 1.095 1173 T CB -0.049 68.752 68.868 -0.111 0.000 0.930 1173 T HN 0.390 nan 8.240 nan 0.000 0.508 1174 H N 0.621 119.591 119.070 -0.167 0.000 2.406 1174 H HA 0.195 4.877 4.556 0.210 0.000 0.304 1174 H C 1.072 176.323 175.328 -0.128 0.000 1.042 1174 H CA -0.204 55.699 56.048 -0.242 0.000 1.360 1174 H CB 0.114 29.470 29.762 -0.677 0.000 1.448 1174 H HN 0.115 nan 8.280 nan 0.000 0.553 1175 N N 1.791 120.495 118.700 0.006 0.000 2.689 1175 N HA -0.104 4.763 4.740 0.211 0.000 0.263 1175 N C -2.722 172.826 175.510 0.063 0.000 0.987 1175 N CA -0.222 52.837 53.050 0.014 0.000 0.782 1175 N CB -0.589 37.894 38.487 -0.007 0.000 0.903 1175 N HN 0.220 nan 8.380 nan 0.000 0.547 1176 P HA 0.052 nan 4.420 nan 0.000 0.266 1176 P C 0.223 177.579 177.300 0.094 0.000 1.195 1176 P CA -0.050 63.164 63.100 0.191 0.000 0.768 1176 P CB 0.372 32.294 31.700 0.369 0.000 0.838 1177 T N -1.232 113.360 114.554 0.062 0.000 2.802 1177 T HA 0.062 4.539 4.350 0.211 0.000 0.305 1177 T C 1.368 176.051 174.700 -0.029 0.000 1.053 1177 T CA -0.599 61.502 62.100 0.003 0.000 1.058 1177 T CB 0.109 68.962 68.868 -0.026 0.000 0.988 1177 T HN 0.047 nan 8.240 nan 0.000 0.539 1178 V N 1.762 121.642 119.914 -0.056 0.000 2.287 1178 V HA -0.163 4.084 4.120 0.211 0.000 0.248 1178 V C 2.869 178.829 176.094 -0.224 0.000 1.053 1178 V CA 2.419 64.630 62.300 -0.148 0.000 1.027 1178 V CB -0.957 30.747 31.823 -0.198 0.000 0.646 1178 V HN 1.040 nan 8.190 nan 0.000 0.447 1179 K N -0.251 120.061 120.400 -0.146 0.000 2.057 1179 K HA -0.224 4.222 4.320 0.211 0.000 0.207 1179 K C 1.869 178.373 176.600 -0.160 0.000 1.049 1179 K CA 1.887 58.068 56.287 -0.178 0.000 0.931 1179 K CB -0.239 32.210 32.500 -0.085 0.000 0.714 1179 K HN 0.452 nan 8.250 nan 0.000 0.440 1180 D N 0.601 120.924 120.400 -0.128 0.000 2.178 1180 D HA -0.129 4.638 4.640 0.211 0.000 0.202 1180 D C 1.930 177.895 176.300 -0.559 0.000 0.974 1180 D CA 0.904 54.747 54.000 -0.261 0.000 0.841 1180 D CB 0.036 40.763 40.800 -0.122 0.000 0.953 1180 D HN 0.259 nan 8.370 nan 0.000 0.478 1181 L N 0.473 121.557 121.223 -0.232 0.000 2.046 1181 L HA -0.129 4.338 4.340 0.211 0.000 0.208 1181 L C 2.544 179.360 176.870 -0.090 0.000 1.077 1181 L CA 0.696 55.507 54.840 -0.048 0.000 0.747 1181 L CB -0.296 41.780 42.059 0.028 0.000 0.896 1181 L HN 0.000 nan 8.230 nan 0.000 0.432 1182 I N -0.121 120.360 120.570 -0.149 0.000 2.226 1182 I HA -0.224 4.072 4.170 0.211 0.000 0.245 1182 I C 2.648 178.678 176.117 -0.146 0.000 1.100 1182 I CA 1.467 62.714 61.300 -0.088 0.000 1.374 1182 I CB -0.901 37.061 38.000 -0.063 0.000 1.057 1182 I HN 0.285 nan 8.210 nan 0.000 0.413 1183 G N 0.666 109.216 108.800 -0.417 0.000 2.440 1183 G HA2 -0.241 3.846 3.960 0.211 0.000 0.218 1183 G HA3 -0.241 3.846 3.960 0.211 0.000 0.218 1183 G C 1.627 176.207 174.900 -0.534 0.000 1.154 1183 G CA 0.600 45.022 45.100 -1.130 0.000 0.767 1183 G HN 0.330 nan 8.290 nan 0.000 0.552 1184 F N 1.212 121.056 119.950 -0.177 0.000 2.171 1184 F HA -0.008 4.648 4.527 0.214 0.000 0.300 1184 F C 2.951 178.786 175.800 0.060 0.000 1.090 1184 F CA 0.305 58.338 58.000 0.055 0.000 1.293 1184 F CB -0.139 38.920 39.000 0.099 0.000 1.013 1184 F HN 0.240 nan 8.300 nan 0.000 0.486 1185 G N 0.270 109.199 108.800 0.216 0.000 2.408 1185 G HA2 -0.248 3.839 3.960 0.211 0.000 0.217 1185 G HA3 -0.248 3.839 3.960 0.211 0.000 0.217 1185 G C 1.512 176.591 174.900 0.298 0.000 1.150 1185 G CA 0.647 45.889 45.100 0.237 0.000 0.776 1185 G HN 0.249 nan 8.290 nan 0.000 0.542 1186 L N 0.490 121.784 121.223 0.119 0.000 2.046 1186 L HA -0.045 4.421 4.340 0.211 0.000 0.208 1186 L C 2.810 179.738 176.870 0.097 0.000 1.077 1186 L CA 1.908 56.786 54.840 0.064 0.000 0.747 1186 L CB -0.678 41.292 42.059 -0.147 0.000 0.896 1186 L HN 0.304 nan 8.230 nan 0.000 0.432 1187 Q N -1.155 118.723 119.800 0.131 0.000 2.084 1187 Q HA -0.169 4.298 4.340 0.211 0.000 0.202 1187 Q C 2.188 178.261 176.000 0.121 0.000 0.978 1187 Q CA 1.875 57.771 55.803 0.155 0.000 0.844 1187 Q CB -0.279 28.591 28.738 0.221 0.000 0.898 1187 Q HN 0.483 nan 8.270 nan 0.000 0.426 1188 V N 1.011 121.032 119.914 0.178 0.000 2.343 1188 V HA -0.262 3.985 4.120 0.211 0.000 0.247 1188 V C 2.305 178.420 176.094 0.035 0.000 1.051 1188 V CA 1.772 64.173 62.300 0.168 0.000 1.036 1188 V CB -0.959 31.069 31.823 0.342 0.000 0.654 1188 V HN 0.372 nan 8.190 nan 0.000 0.451 1189 A N -0.176 122.664 122.820 0.035 0.000 1.933 1189 A HA -0.247 4.199 4.320 0.211 0.000 0.218 1189 A C 2.282 179.758 177.584 -0.181 0.000 1.175 1189 A CA 2.002 53.880 52.037 -0.265 0.000 0.628 1189 A CB -0.409 18.482 19.000 -0.181 0.000 0.814 1189 A HN 0.566 nan 8.150 nan 0.000 0.444 1190 K N -0.805 119.563 120.400 -0.054 0.000 2.057 1190 K HA -0.055 4.391 4.320 0.211 0.000 0.206 1190 K C 2.135 178.606 176.600 -0.214 0.000 1.050 1190 K CA 1.031 57.305 56.287 -0.022 0.000 0.935 1190 K CB -0.408 32.173 32.500 0.136 0.000 0.715 1190 K HN 0.453 nan 8.250 nan 0.000 0.439 1191 G N 1.069 109.746 108.800 -0.205 0.000 2.402 1191 G HA2 -0.214 3.873 3.960 0.211 0.000 0.216 1191 G HA3 -0.214 3.873 3.960 0.211 0.000 0.216 1191 G C 1.457 176.144 174.900 -0.355 0.000 1.162 1191 G CA 0.566 45.462 45.100 -0.339 0.000 0.777 1191 G HN 0.056 nan 8.290 nan 0.000 0.539 1192 M N 0.510 119.841 119.600 -0.447 0.000 2.254 1192 M HA 0.075 4.682 4.480 0.211 0.000 0.265 1192 M C 2.266 178.151 176.300 -0.692 0.000 1.066 1192 M CA 0.962 55.798 55.300 -0.774 0.000 1.123 1192 M CB -0.777 30.843 32.600 -1.633 0.000 1.388 1192 M HN 0.317 nan 8.290 nan 0.000 0.425 1193 K N -0.249 119.900 120.400 -0.419 0.000 2.057 1193 K HA -0.223 4.224 4.320 0.211 0.000 0.207 1193 K C 2.136 178.657 176.600 -0.130 0.000 1.049 1193 K CA 1.370 57.580 56.287 -0.129 0.000 0.931 1193 K CB -0.293 32.189 32.500 -0.031 0.000 0.714 1193 K HN 0.240 nan 8.250 nan 0.000 0.440 1194 Y N 1.562 121.649 120.300 -0.354 0.000 2.114 1194 Y HA -0.199 4.478 4.550 0.210 0.000 0.284 1194 Y C 1.809 177.523 175.900 -0.311 0.000 1.143 1194 Y CA 1.647 59.542 58.100 -0.341 0.000 1.135 1194 Y CB -0.252 37.839 38.460 -0.616 0.000 0.980 1194 Y HN -0.009 nan 8.280 nan 0.000 0.499 1195 L N -0.071 120.974 121.223 -0.297 0.000 2.042 1195 L HA -0.260 4.207 4.340 0.211 0.000 0.210 1195 L C 2.812 179.562 176.870 -0.200 0.000 1.076 1195 L CA 1.282 55.898 54.840 -0.374 0.000 0.749 1195 L CB -1.081 40.872 42.059 -0.176 0.000 0.893 1195 L HN 0.382 nan 8.230 nan 0.000 0.432 1196 A N 0.164 122.907 122.820 -0.127 0.000 1.933 1196 A HA -0.228 4.219 4.320 0.211 0.000 0.218 1196 A C 2.513 180.070 177.584 -0.045 0.000 1.175 1196 A CA 1.957 53.992 52.037 -0.003 0.000 0.628 1196 A CB -0.717 18.358 19.000 0.126 0.000 0.814 1196 A HN 0.544 nan 8.150 nan 0.000 0.444 1197 S N -0.508 115.117 115.700 -0.125 0.000 2.442 1197 S HA -0.096 4.501 4.470 0.211 0.000 0.236 1197 S C 1.310 175.824 174.600 -0.144 0.000 1.007 1197 S CA 1.286 59.410 58.200 -0.126 0.000 0.965 1197 S CB -0.165 62.940 63.200 -0.157 0.000 0.773 1197 S HN 0.430 nan 8.310 nan 0.000 0.504 1198 K N 1.232 121.512 120.400 -0.200 0.000 2.410 1198 K HA 0.251 4.698 4.320 0.211 0.000 0.200 1198 K C 0.055 176.672 176.600 0.028 0.000 1.023 1198 K CA -0.030 56.194 56.287 -0.105 0.000 1.149 1198 K CB -0.144 32.271 32.500 -0.142 0.000 0.859 1198 K HN 0.501 nan 8.250 nan 0.000 0.514 1199 K N 0.302 120.716 120.400 0.023 0.000 3.088 1199 K HA -0.214 4.233 4.320 0.211 0.000 0.273 1199 K C -0.337 176.328 176.600 0.109 0.000 1.111 1199 K CA 0.421 56.742 56.287 0.057 0.000 0.803 1199 K CB -1.814 30.714 32.500 0.047 0.000 1.226 1199 K HN 0.131 nan 8.250 nan 0.000 0.485 1200 F N 1.073 120.996 119.950 -0.045 0.000 2.410 1200 F HA 0.321 4.973 4.527 0.208 0.000 0.349 1200 F C 0.203 176.007 175.800 0.007 0.000 1.117 1200 F CA -0.795 57.189 58.000 -0.027 0.000 1.104 1200 F CB 1.019 39.954 39.000 -0.108 0.000 1.122 1200 F HN -0.194 nan 8.300 nan 0.000 0.483 1201 V N 7.197 126.730 119.914 -0.635 0.000 2.370 1201 V HA 0.092 4.339 4.120 0.211 0.000 0.279 1201 V C 1.064 176.824 176.094 -0.556 0.000 1.029 1201 V CA -0.459 61.624 62.300 -0.361 0.000 0.870 1201 V CB 0.942 32.684 31.823 -0.136 0.000 0.984 1201 V HN 0.861 nan 8.190 nan 0.000 0.451 1202 H N 5.405 124.363 119.070 -0.186 0.000 2.333 1202 H HA -0.045 4.637 4.556 0.210 0.000 0.302 1202 H C 1.658 176.990 175.328 0.006 0.000 1.075 1202 H CA 2.118 58.199 56.048 0.055 0.000 1.348 1202 H CB 0.386 30.304 29.762 0.259 0.000 1.393 1202 H HN 0.760 nan 8.280 nan 0.000 0.509 1203 R N -1.050 119.587 120.500 0.228 0.000 3.870 1203 R HA -0.193 4.274 4.340 0.211 0.000 0.463 1203 R C -0.179 176.214 176.300 0.155 0.000 0.790 1203 R CA 1.473 57.596 56.100 0.038 0.000 1.576 1203 R CB -1.485 28.560 30.300 -0.425 0.000 2.233 1203 R HN 0.316 nan 8.270 nan 0.000 0.463 1204 D N 0.173 120.831 120.400 0.430 0.000 2.908 1204 D HA 0.174 4.941 4.640 0.211 0.000 0.361 1204 D C -1.114 175.207 176.300 0.035 0.000 1.416 1204 D CA -0.472 53.663 54.000 0.225 0.000 0.796 1204 D CB 0.384 41.277 40.800 0.155 0.000 1.185 1204 D HN 0.039 nan 8.370 nan 0.000 0.451 1205 L N 1.623 122.769 121.223 -0.129 0.000 2.410 1205 L HA 0.619 5.086 4.340 0.211 0.000 0.273 1205 L C -0.444 176.408 176.870 -0.031 0.000 1.144 1205 L CA 0.298 54.955 54.840 -0.306 0.000 0.863 1205 L CB 0.420 42.419 42.059 -0.101 0.000 1.140 1205 L HN 0.221 nan 8.230 nan 0.000 0.463 1206 A N 3.868 126.628 122.820 -0.101 0.000 2.597 1206 A HA 0.676 5.123 4.320 0.211 0.000 0.292 1206 A C 0.425 178.007 177.584 -0.002 0.000 1.057 1206 A CA -0.148 51.834 52.037 -0.091 0.000 0.674 1206 A CB 0.385 18.938 19.000 -0.744 0.000 1.278 1206 A HN 1.004 nan 8.150 nan 0.000 0.416 1207 A N 0.745 123.646 122.820 0.134 0.000 1.978 1207 A HA -0.137 4.310 4.320 0.211 0.000 0.220 1207 A C 1.932 179.524 177.584 0.012 0.000 1.170 1207 A CA 1.968 54.062 52.037 0.094 0.000 0.636 1207 A CB -0.585 18.512 19.000 0.162 0.000 0.810 1207 A HN 1.089 nan 8.150 nan 0.000 0.448 1208 R N -0.816 119.666 120.500 -0.030 0.000 2.189 1208 R HA -0.024 4.443 4.340 0.211 0.000 0.223 1208 R C 0.279 176.528 176.300 -0.084 0.000 1.092 1208 R CA 1.490 57.555 56.100 -0.059 0.000 0.989 1208 R CB -0.425 29.818 30.300 -0.096 0.000 0.876 1208 R HN 0.325 nan 8.270 nan 0.000 0.457 1209 N N 0.065 118.704 118.700 -0.101 0.000 2.268 1209 N HA 0.108 4.975 4.740 0.211 0.000 0.204 1209 N C -0.884 174.566 175.510 -0.100 0.000 1.124 1209 N CA -0.028 52.963 53.050 -0.099 0.000 0.838 1209 N CB 0.541 38.981 38.487 -0.079 0.000 0.994 1209 N HN 0.152 nan 8.380 nan 0.000 0.489 1210 C N 1.452 120.699 119.300 -0.089 0.000 2.417 1210 C HA 0.567 5.154 4.460 0.211 0.000 0.324 1210 C C 0.167 175.080 174.990 -0.128 0.000 1.240 1210 C CA -0.927 58.033 59.018 -0.098 0.000 1.632 1210 C CB 0.925 28.624 27.740 -0.068 0.000 2.241 1210 C HN 0.183 nan 8.230 nan 0.000 0.499 1211 M N 2.850 122.358 119.600 -0.153 0.000 2.654 1211 M HA 0.614 5.221 4.480 0.211 0.000 0.310 1211 M C -0.660 175.496 176.300 -0.240 0.000 1.211 1211 M CA -0.619 54.569 55.300 -0.188 0.000 0.947 1211 M CB 1.121 33.607 32.600 -0.189 0.000 1.647 1211 M HN 0.484 nan 8.290 nan 0.000 0.481 1212 L N 2.088 123.137 121.223 -0.290 0.000 2.376 1212 L HA 0.312 4.779 4.340 0.211 0.000 0.275 1212 L C -0.557 176.102 176.870 -0.352 0.000 0.987 1212 L CA -0.711 53.911 54.840 -0.364 0.000 0.828 1212 L CB 1.922 43.657 42.059 -0.540 0.000 1.249 1212 L HN 0.750 nan 8.230 nan 0.000 0.409 1213 D N 2.520 122.727 120.400 -0.323 0.000 2.478 1213 D HA -0.009 4.757 4.640 0.211 0.000 0.269 1213 D C 0.929 176.998 176.300 -0.385 0.000 1.232 1213 D CA -0.373 53.427 54.000 -0.333 0.000 1.059 1213 D CB 0.535 41.194 40.800 -0.236 0.000 1.104 1213 D HN 0.553 nan 8.370 nan 0.000 0.566 1214 E N 0.090 120.084 120.200 -0.344 0.000 2.401 1214 E HA -0.226 4.250 4.350 0.211 0.000 0.199 1214 E C 0.532 176.928 176.600 -0.340 0.000 1.023 1214 E CA 1.035 57.225 56.400 -0.350 0.000 0.859 1214 E CB -0.252 29.333 29.700 -0.192 0.000 0.780 1214 E HN 0.543 nan 8.360 nan 0.000 0.523 1215 K N -0.141 120.128 120.400 -0.219 0.000 2.397 1215 K HA 0.159 4.606 4.320 0.211 0.000 0.202 1215 K C -0.641 176.012 176.600 0.089 0.000 1.022 1215 K CA -0.169 56.119 56.287 0.002 0.000 1.141 1215 K CB -0.061 32.499 32.500 0.100 0.000 0.857 1215 K HN -0.035 nan 8.250 nan 0.000 0.514 1216 F N -0.001 119.898 119.950 -0.086 0.000 3.080 1216 F HA -0.255 4.399 4.527 0.212 0.000 0.292 1216 F C -0.196 175.571 175.800 -0.055 0.000 0.891 1216 F CA 0.371 58.239 58.000 -0.221 0.000 1.086 1216 F CB -2.690 36.023 39.000 -0.480 0.000 1.095 1216 F HN -0.102 nan 8.300 nan 0.000 0.633 1217 T N 1.033 115.592 114.554 0.008 0.000 2.780 1217 T HA 0.558 5.035 4.350 0.211 0.000 0.294 1217 T C 0.438 175.051 174.700 -0.145 0.000 0.949 1217 T CA -0.560 61.509 62.100 -0.052 0.000 1.074 1217 T CB 1.622 70.409 68.868 -0.136 0.000 0.910 1217 T HN 0.045 nan 8.240 nan 0.000 0.501 1218 V N 5.338 125.185 119.914 -0.111 0.000 2.498 1218 V HA 0.311 4.557 4.120 0.211 0.000 0.279 1218 V C 0.263 176.282 176.094 -0.125 0.000 1.048 1218 V CA -0.521 61.699 62.300 -0.132 0.000 0.967 1218 V CB 0.766 32.561 31.823 -0.046 0.000 0.988 1218 V HN 0.669 nan 8.190 nan 0.000 0.473 1219 K N 4.140 124.463 120.400 -0.128 0.000 2.425 1219 K HA 0.448 4.894 4.320 0.211 0.000 0.259 1219 K C -0.816 175.739 176.600 -0.076 0.000 0.978 1219 K CA -0.665 55.566 56.287 -0.093 0.000 0.883 1219 K CB 1.925 34.361 32.500 -0.107 0.000 1.110 1219 K HN 0.407 nan 8.250 nan 0.000 0.436 1220 V N 2.464 122.360 119.914 -0.030 0.000 2.585 1220 V HA 0.257 4.504 4.120 0.211 0.000 0.296 1220 V C 0.655 176.672 176.094 -0.129 0.000 1.035 1220 V CA 0.272 62.558 62.300 -0.024 0.000 1.084 1220 V CB 0.691 32.557 31.823 0.071 0.000 0.953 1220 V HN 0.946 nan 8.190 nan 0.000 0.483 1221 A N 3.199 125.852 122.820 -0.278 0.000 2.566 1221 A HA 0.669 5.116 4.320 0.211 0.000 0.291 1221 A C -0.075 177.088 177.584 -0.702 0.000 1.278 1221 A CA -0.399 51.288 52.037 -0.583 0.000 0.711 1221 A CB 0.645 19.477 19.000 -0.280 0.000 1.332 1221 A HN 0.707 nan 8.150 nan 0.000 0.478 1222 D N -0.280 119.788 120.400 -0.554 0.000 2.692 1222 D HA -0.151 4.616 4.640 0.211 0.000 0.233 1222 D C -0.558 175.546 176.300 -0.328 0.000 1.172 1222 D CA 1.192 55.010 54.000 -0.303 0.000 0.636 1222 D CB -1.440 39.279 40.800 -0.135 0.000 1.028 1222 D HN 0.373 nan 8.370 nan 0.000 0.419 1223 F N 0.531 120.377 119.950 -0.173 0.000 2.629 1223 F HA 0.235 4.889 4.527 0.211 0.000 0.369 1223 F C 2.139 177.815 175.800 -0.206 0.000 1.125 1223 F CA 0.455 58.175 58.000 -0.467 0.000 1.330 1223 F CB 0.334 39.275 39.000 -0.098 0.000 1.071 1223 F HN 0.001 nan 8.300 nan 0.000 0.595 1246 P HA 0.225 nan 4.420 nan 0.000 0.230 1246 P C 1.404 178.900 177.300 0.327 0.000 1.791 1246 P CA 0.102 63.316 63.100 0.190 0.000 1.020 1246 P CB 1.080 32.832 31.700 0.087 0.000 1.977 1247 V N 2.079 122.142 119.914 0.248 0.000 2.317 1247 V HA -0.280 3.966 4.120 0.211 0.000 0.251 1247 V C 2.222 178.421 176.094 0.175 0.000 1.065 1247 V CA 1.952 64.356 62.300 0.174 0.000 1.049 1247 V CB -0.800 31.080 31.823 0.094 0.000 0.651 1247 V HN 0.405 nan 8.190 nan 0.000 0.450 1248 K N -1.656 118.911 120.400 0.279 0.000 2.555 1248 K HA -0.092 4.355 4.320 0.211 0.000 0.193 1248 K C 1.518 178.176 176.600 0.098 0.000 1.032 1248 K CA 0.724 57.079 56.287 0.114 0.000 1.004 1248 K CB -0.058 32.454 32.500 0.020 0.000 0.804 1248 K HN 0.601 nan 8.250 nan 0.000 0.496 1249 W N 0.212 121.628 121.300 0.193 0.000 2.998 1249 W HA 0.254 5.046 4.660 0.220 0.000 0.336 1249 W C 0.140 176.826 176.519 0.279 0.000 1.112 1249 W CA -0.474 57.039 57.345 0.280 0.000 1.682 1249 W CB 0.378 29.980 29.460 0.237 0.000 1.065 1249 W HN -0.020 nan 8.180 nan 0.000 0.570 1250 M N 0.805 120.575 119.600 0.282 0.000 2.235 1250 M HA 0.341 4.948 4.480 0.211 0.000 0.351 1250 M C 0.690 176.650 176.300 -0.567 0.000 1.178 1250 M CA -0.149 55.167 55.300 0.027 0.000 1.143 1250 M CB 1.059 33.680 32.600 0.034 0.000 1.530 1250 M HN -0.252 nan 8.290 nan 0.000 0.461 1251 A N 2.240 124.647 122.820 -0.689 0.000 2.483 1251 A HA 0.108 4.555 4.320 0.211 0.000 0.238 1251 A C 0.920 177.897 177.584 -1.012 0.000 1.070 1251 A CA -0.508 50.765 52.037 -1.274 0.000 0.770 1251 A CB 0.196 18.964 19.000 -0.387 0.000 1.008 1251 A HN 0.956 nan 8.150 nan 0.000 0.497 1252 L N 1.317 121.810 121.223 -1.217 0.000 2.021 1252 L HA -0.220 4.247 4.340 0.211 0.000 0.215 1252 L C 2.611 179.260 176.870 -0.368 0.000 1.074 1252 L CA 2.910 57.377 54.840 -0.622 0.000 0.760 1252 L CB -0.784 41.041 42.059 -0.391 0.000 0.889 1252 L HN 0.914 nan 8.230 nan 0.000 0.433 1253 E N -1.479 118.542 120.200 -0.298 0.000 2.204 1253 E HA -0.166 4.311 4.350 0.211 0.000 0.195 1253 E C 1.889 178.323 176.600 -0.276 0.000 0.990 1253 E CA 1.501 57.773 56.400 -0.212 0.000 0.821 1253 E CB -0.584 29.034 29.700 -0.136 0.000 0.750 1253 E HN 0.549 nan 8.360 nan 0.000 0.477 1254 S N 1.010 116.475 115.700 -0.390 0.000 2.387 1254 S HA 0.056 4.653 4.470 0.211 0.000 0.226 1254 S C 2.084 176.444 174.600 -0.399 0.000 1.026 1254 S CA 0.631 58.492 58.200 -0.565 0.000 0.972 1254 S CB -0.186 62.536 63.200 -0.797 0.000 0.814 1254 S HN 0.210 nan 8.310 nan 0.000 0.477 1255 L N 1.013 122.053 121.223 -0.305 0.000 2.201 1255 L HA -0.103 4.363 4.340 0.211 0.000 0.212 1255 L C 2.521 179.304 176.870 -0.145 0.000 1.105 1255 L CA 1.100 55.824 54.840 -0.193 0.000 0.775 1255 L CB -0.309 41.630 42.059 -0.201 0.000 0.913 1255 L HN 0.347 nan 8.230 nan 0.000 0.440 1256 Q N -1.348 118.356 119.800 -0.160 0.000 2.297 1256 Q HA -0.060 4.407 4.340 0.211 0.000 0.203 1256 Q C 1.965 177.907 176.000 -0.096 0.000 0.931 1256 Q CA 1.598 57.334 55.803 -0.110 0.000 0.885 1256 Q CB 0.354 29.030 28.738 -0.104 0.000 0.991 1256 Q HN 0.544 nan 8.270 nan 0.000 0.498 1257 T N -3.929 110.548 114.554 -0.128 0.000 2.985 1257 T HA 0.125 4.602 4.350 0.211 0.000 0.254 1257 T C 0.567 175.206 174.700 -0.102 0.000 1.021 1257 T CA -0.107 61.931 62.100 -0.102 0.000 0.957 1257 T CB 0.429 69.236 68.868 -0.102 0.000 1.047 1257 T HN 0.170 nan 8.240 nan 0.000 0.511 1258 Q N -0.007 119.695 119.800 -0.163 0.000 2.460 1258 Q HA -0.153 4.314 4.340 0.211 0.000 0.248 1258 Q C -0.668 175.268 176.000 -0.107 0.000 0.847 1258 Q CA 0.837 56.577 55.803 -0.105 0.000 1.214 1258 Q CB -1.420 27.342 28.738 0.040 0.000 1.523 1258 Q HN 0.589 nan 8.270 nan 0.000 0.602 1259 K N 0.079 120.320 120.400 -0.265 0.000 2.138 1259 K HA 0.628 5.074 4.320 0.211 0.000 0.263 1259 K C -0.728 175.647 176.600 -0.374 0.000 0.965 1259 K CA -0.283 55.924 56.287 -0.134 0.000 0.868 1259 K CB 0.870 33.330 32.500 -0.067 0.000 1.083 1259 K HN -0.102 nan 8.250 nan 0.000 0.443 1260 F N 0.507 120.461 119.950 0.006 0.000 2.532 1260 F HA 0.438 5.094 4.527 0.215 0.000 0.321 1260 F C 0.557 176.369 175.800 0.020 0.000 1.089 1260 F CA -0.579 57.433 58.000 0.020 0.000 0.926 1260 F CB 2.233 41.247 39.000 0.024 0.000 1.168 1260 F HN 0.545 nan 8.300 nan 0.000 0.459 1261 T N -2.944 111.727 114.554 0.195 0.000 2.778 1261 T HA 0.295 4.772 4.350 0.211 0.000 0.293 1261 T C 0.557 175.358 174.700 0.168 0.000 1.144 1261 T CA -0.557 61.624 62.100 0.135 0.000 1.010 1261 T CB 1.360 70.278 68.868 0.083 0.000 1.325 1261 T HN 0.390 nan 8.240 nan 0.000 0.515 1262 T N 0.854 115.496 114.554 0.146 0.000 2.788 1262 T HA -0.047 4.430 4.350 0.211 0.000 0.268 1262 T C 1.758 176.571 174.700 0.189 0.000 1.044 1262 T CA 0.995 63.221 62.100 0.210 0.000 1.139 1262 T CB -0.273 68.709 68.868 0.190 0.000 0.867 1262 T HN 0.468 nan 8.240 nan 0.000 0.454 1263 K N 1.632 122.101 120.400 0.114 0.000 2.211 1263 K HA 0.018 4.465 4.320 0.211 0.000 0.203 1263 K C 2.668 179.372 176.600 0.174 0.000 1.050 1263 K CA 1.168 57.507 56.287 0.087 0.000 0.945 1263 K CB -0.484 32.052 32.500 0.060 0.000 0.732 1263 K HN 0.549 nan 8.250 nan 0.000 0.451 1264 S N 0.880 116.697 115.700 0.195 0.000 2.436 1264 S HA -0.076 4.520 4.470 0.211 0.000 0.228 1264 S C 1.453 176.277 174.600 0.372 0.000 1.014 1264 S CA 0.758 59.103 58.200 0.242 0.000 0.950 1264 S CB -0.035 63.234 63.200 0.115 0.000 0.784 1264 S HN 0.093 nan 8.310 nan 0.000 0.504 1265 D N 1.700 122.329 120.400 0.381 0.000 2.178 1265 D HA -0.004 4.763 4.640 0.211 0.000 0.202 1265 D C 2.038 178.677 176.300 0.564 0.000 0.974 1265 D CA 0.736 55.031 54.000 0.491 0.000 0.841 1265 D CB -0.413 40.711 40.800 0.540 0.000 0.953 1265 D HN 0.307 nan 8.370 nan 0.000 0.478 1266 V N 0.840 120.925 119.914 0.285 0.000 2.343 1266 V HA -0.195 4.052 4.120 0.211 0.000 0.247 1266 V C 2.155 178.435 176.094 0.311 0.000 1.051 1266 V CA 1.195 63.501 62.300 0.011 0.000 1.036 1266 V CB -0.390 31.252 31.823 -0.303 0.000 0.654 1266 V HN 0.393 nan 8.190 nan 0.000 0.451 1267 W N 1.129 122.564 121.300 0.225 0.000 2.333 1267 W HA -0.218 4.569 4.660 0.211 0.000 0.316 1267 W C 2.553 179.340 176.519 0.447 0.000 1.215 1267 W CA 2.241 59.797 57.345 0.351 0.000 1.278 1267 W CB -0.685 28.958 29.460 0.305 0.000 1.154 1267 W HN 0.321 nan 8.180 nan 0.000 0.486 1268 S N 0.736 116.915 115.700 0.797 0.000 2.383 1268 S HA -0.242 4.355 4.470 0.211 0.000 0.229 1268 S C 1.567 176.521 174.600 0.589 0.000 1.030 1268 S CA 1.640 60.269 58.200 0.715 0.000 1.002 1268 S CB -1.083 62.476 63.200 0.599 0.000 0.829 1268 S HN 0.336 nan 8.310 nan 0.000 0.467 1269 F N 2.661 122.861 119.950 0.416 0.000 2.126 1269 F HA -0.049 4.604 4.527 0.210 0.000 0.299 1269 F C 2.248 178.194 175.800 0.244 0.000 1.096 1269 F CA 1.282 59.486 58.000 0.341 0.000 1.255 1269 F CB -1.018 38.238 39.000 0.427 0.000 0.997 1269 F HN 0.205 nan 8.300 nan 0.000 0.479 1270 G N -0.003 108.842 108.800 0.074 0.000 2.418 1270 G HA2 -0.218 3.869 3.960 0.211 0.000 0.217 1270 G HA3 -0.218 3.869 3.960 0.211 0.000 0.217 1270 G C 1.742 176.756 174.900 0.189 0.000 1.158 1270 G CA 1.250 46.215 45.100 -0.225 0.000 0.771 1270 G HN 0.355 nan 8.290 nan 0.000 0.545 1271 V N 0.927 121.123 119.914 0.470 0.000 2.343 1271 V HA -0.143 4.104 4.120 0.211 0.000 0.247 1271 V C 2.677 178.944 176.094 0.288 0.000 1.051 1271 V CA 1.638 64.122 62.300 0.307 0.000 1.036 1271 V CB -0.525 31.294 31.823 -0.006 0.000 0.654 1271 V HN 0.410 nan 8.190 nan 0.000 0.451 1272 L N -0.640 120.750 121.223 0.279 0.000 2.042 1272 L HA -0.194 4.273 4.340 0.211 0.000 0.210 1272 L C 2.342 179.251 176.870 0.064 0.000 1.076 1272 L CA 1.684 56.662 54.840 0.230 0.000 0.749 1272 L CB -0.184 41.977 42.059 0.170 0.000 0.893 1272 L HN 0.255 nan 8.230 nan 0.000 0.432 1273 L N -1.599 119.529 121.223 -0.159 0.000 2.083 1273 L HA -0.259 4.208 4.340 0.211 0.000 0.209 1273 L C 2.323 179.238 176.870 0.074 0.000 1.083 1273 L CA 1.723 56.474 54.840 -0.149 0.000 0.752 1273 L CB -0.621 41.245 42.059 -0.322 0.000 0.899 1273 L HN 0.528 nan 8.230 nan 0.000 0.433 1274 W N 1.308 122.612 121.300 0.006 0.000 2.381 1274 W HA -0.167 4.619 4.660 0.209 0.000 0.301 1274 W C 2.389 178.930 176.519 0.036 0.000 1.205 1274 W CA 1.404 58.789 57.345 0.066 0.000 1.285 1274 W CB 0.065 29.618 29.460 0.156 0.000 1.133 1274 W HN 0.077 nan 8.180 nan 0.000 0.521 1275 E N 0.282 120.684 120.200 0.338 0.000 2.085 1275 E HA -0.266 4.211 4.350 0.211 0.000 0.194 1275 E C 2.195 178.815 176.600 0.034 0.000 0.994 1275 E CA 1.732 58.243 56.400 0.185 0.000 0.801 1275 E CB -0.645 29.247 29.700 0.319 0.000 0.743 1275 E HN 0.360 nan 8.360 nan 0.000 0.453 1276 L N 0.303 121.565 121.223 0.066 0.000 2.017 1276 L HA -0.201 4.266 4.340 0.211 0.000 0.208 1276 L C 2.445 179.305 176.870 -0.017 0.000 1.073 1276 L CA 0.824 55.705 54.840 0.068 0.000 0.745 1276 L CB -0.293 41.823 42.059 0.095 0.000 0.894 1276 L HN 0.246 nan 8.230 nan 0.000 0.432 1277 M N -0.790 118.751 119.600 -0.099 0.000 2.476 1277 M HA -0.056 4.551 4.480 0.211 0.000 0.262 1277 M C 2.037 178.190 176.300 -0.245 0.000 1.079 1277 M CA 1.369 56.577 55.300 -0.152 0.000 1.104 1277 M CB -1.487 31.026 32.600 -0.145 0.000 1.409 1277 M HN 0.368 nan 8.290 nan 0.000 0.467 1278 T N -3.020 111.300 114.554 -0.390 0.000 3.122 1278 T HA 0.265 4.742 4.350 0.211 0.000 0.250 1278 T C 0.683 175.256 174.700 -0.213 0.000 1.067 1278 T CA -0.336 61.503 62.100 -0.435 0.000 0.966 1278 T CB -0.095 68.259 68.868 -0.857 0.000 1.002 1278 T HN 0.457 nan 8.240 nan 0.000 0.542 1279 R N 0.579 121.014 120.500 -0.108 0.000 3.531 1279 R HA -0.132 4.335 4.340 0.211 0.000 0.280 1279 R C 1.006 177.303 176.300 -0.005 0.000 1.130 1279 R CA 0.345 56.433 56.100 -0.020 0.000 0.757 1279 R CB -2.454 27.839 30.300 -0.012 0.000 1.218 1279 R HN 0.911 nan 8.270 nan 0.000 0.454 1280 G N -1.607 107.193 108.800 -0.000 0.000 2.142 1280 G HA2 -0.186 3.900 3.960 0.211 0.000 0.225 1280 G HA3 -0.186 3.900 3.960 0.211 0.000 0.225 1280 G C 0.256 175.196 174.900 0.066 0.000 1.015 1280 G CA 0.113 45.252 45.100 0.065 0.000 0.716 1280 G HN 0.876 nan 8.290 nan 0.000 0.508 1281 A N 0.586 123.397 122.820 -0.015 0.000 2.425 1281 A HA 0.686 5.133 4.320 0.211 0.000 0.242 1281 A C -1.045 176.676 177.584 0.229 0.000 1.077 1281 A CA -0.501 51.561 52.037 0.041 0.000 0.781 1281 A CB 0.343 19.285 19.000 -0.097 0.000 1.020 1281 A HN 0.332 nan 8.150 nan 0.000 0.494 1282 P HA 0.299 nan 4.420 nan 0.000 0.280 1282 P C -2.793 174.626 177.300 0.199 0.000 1.244 1282 P CA -1.298 61.943 63.100 0.236 0.000 0.784 1282 P CB 0.548 32.350 31.700 0.170 0.000 0.913 1283 P HA 0.126 nan 4.420 nan 0.000 0.278 1283 P C -0.498 176.596 177.300 -0.343 0.000 1.238 1283 P CA -0.349 62.424 63.100 -0.544 0.000 0.794 1283 P CB 0.070 31.190 31.700 -0.967 0.000 0.955 1284 Y N 0.153 120.201 120.300 -0.421 0.000 3.001 1284 Y HA -0.193 4.483 4.550 0.210 0.000 0.207 1284 Y C -0.893 174.858 175.900 -0.248 0.000 1.231 1284 Y CA -0.179 57.697 58.100 -0.374 0.000 1.024 1284 Y CB -2.562 35.598 38.460 -0.500 0.000 1.267 1284 Y HN 0.438 nan 8.280 nan 0.000 0.501 1285 P HA -0.185 nan 4.420 nan 0.000 0.217 1285 P C 0.813 178.095 177.300 -0.030 0.000 1.148 1285 P CA 1.978 65.078 63.100 0.000 0.000 0.828 1285 P CB 0.297 32.013 31.700 0.027 0.000 0.783 1286 D N -0.762 119.603 120.400 -0.059 0.000 2.339 1286 D HA 0.057 4.824 4.640 0.211 0.000 0.217 1286 D C 0.373 176.584 176.300 -0.148 0.000 1.050 1286 D CA 0.273 54.226 54.000 -0.078 0.000 0.856 1286 D CB 0.326 41.092 40.800 -0.057 0.000 0.922 1286 D HN 0.104 nan 8.370 nan 0.000 0.518 1287 V N 2.477 122.260 119.914 -0.218 0.000 2.350 1287 V HA 0.139 4.385 4.120 0.211 0.000 0.276 1287 V C 0.441 176.341 176.094 -0.323 0.000 1.028 1287 V CA -1.148 60.949 62.300 -0.339 0.000 0.860 1287 V CB 1.191 32.653 31.823 -0.602 0.000 0.990 1287 V HN 0.009 nan 8.190 nan 0.000 0.453 1288 N N 2.947 121.406 118.700 -0.401 0.000 2.395 1288 N HA 0.020 4.886 4.740 0.211 0.000 0.246 1288 N C 1.429 176.647 175.510 -0.486 0.000 1.246 1288 N CA 0.179 52.911 53.050 -0.530 0.000 0.879 1288 N CB 1.087 38.880 38.487 -1.157 0.000 1.098 1288 N HN 0.648 nan 8.380 nan 0.000 0.444 1289 T N 1.336 115.754 114.554 -0.227 0.000 2.737 1289 T HA -0.171 4.306 4.350 0.211 0.000 0.269 1289 T C 1.479 176.165 174.700 -0.022 0.000 1.040 1289 T CA 1.470 63.539 62.100 -0.051 0.000 1.142 1289 T CB -0.360 68.585 68.868 0.128 0.000 0.861 1289 T HN 0.645 nan 8.240 nan 0.000 0.456 1290 F N 0.737 120.660 119.950 -0.045 0.000 2.699 1290 F HA 0.228 4.881 4.527 0.210 0.000 0.298 1290 F C 1.462 177.230 175.800 -0.052 0.000 1.154 1290 F CA 0.049 58.024 58.000 -0.041 0.000 1.457 1290 F CB -0.265 38.719 39.000 -0.026 0.000 1.106 1290 F HN 0.018 nan 8.300 nan 0.000 0.585 1291 D N 0.318 120.524 120.400 -0.323 0.000 2.407 1291 D HA 0.058 4.825 4.640 0.211 0.000 0.208 1291 D C 2.012 178.201 176.300 -0.185 0.000 1.083 1291 D CA 0.128 53.987 54.000 -0.236 0.000 0.844 1291 D CB 0.191 40.791 40.800 -0.333 0.000 0.967 1291 D HN 0.304 nan 8.370 nan 0.000 0.506 1292 I N 1.201 121.630 120.570 -0.235 0.000 2.208 1292 I HA -0.267 4.029 4.170 0.211 0.000 0.245 1292 I C 1.948 177.966 176.117 -0.166 0.000 1.097 1292 I CA 1.589 62.721 61.300 -0.280 0.000 1.363 1292 I CB -0.349 37.433 38.000 -0.362 0.000 1.051 1292 I HN -0.119 nan 8.210 nan 0.000 0.413 1293 T N -0.333 114.147 114.554 -0.124 0.000 2.684 1293 T HA -0.177 4.300 4.350 0.211 0.000 0.267 1293 T C 2.013 176.675 174.700 -0.063 0.000 1.036 1293 T CA 1.916 63.954 62.100 -0.102 0.000 1.148 1293 T CB -0.586 68.232 68.868 -0.083 0.000 0.863 1293 T HN 0.210 nan 8.240 nan 0.000 0.436 1294 V N 0.305 120.195 119.914 -0.040 0.000 2.427 1294 V HA -0.147 4.099 4.120 0.211 0.000 0.248 1294 V C 2.000 178.090 176.094 -0.007 0.000 1.051 1294 V CA 1.466 63.752 62.300 -0.023 0.000 1.048 1294 V CB -0.721 31.093 31.823 -0.015 0.000 0.666 1294 V HN 0.505 nan 8.190 nan 0.000 0.456 1295 Y N 0.590 120.809 120.300 -0.136 0.000 2.128 1295 Y HA -0.258 4.420 4.550 0.213 0.000 0.284 1295 Y C 2.204 178.038 175.900 -0.110 0.000 1.154 1295 Y CA 1.861 59.879 58.100 -0.137 0.000 1.149 1295 Y CB -0.183 38.155 38.460 -0.204 0.000 0.976 1295 Y HN 0.159 nan 8.280 nan 0.000 0.505 1296 L N -0.585 120.649 121.223 0.019 0.000 2.141 1296 L HA -0.218 4.249 4.340 0.211 0.000 0.209 1296 L C 2.358 179.211 176.870 -0.027 0.000 1.094 1296 L CA 0.936 55.779 54.840 0.004 0.000 0.763 1296 L CB -0.547 41.540 42.059 0.046 0.000 0.908 1296 L HN 0.291 nan 8.230 nan 0.000 0.437 1297 L N -0.595 120.601 121.223 -0.045 0.000 2.275 1297 L HA -0.181 4.286 4.340 0.211 0.000 0.215 1297 L C 2.183 179.015 176.870 -0.063 0.000 1.119 1297 L CA 0.932 55.746 54.840 -0.043 0.000 0.790 1297 L CB -0.260 41.774 42.059 -0.042 0.000 0.919 1297 L HN 0.357 nan 8.230 nan 0.000 0.443 1298 Q N -0.393 119.345 119.800 -0.104 0.000 2.482 1298 Q HA 0.043 4.510 4.340 0.211 0.000 0.209 1298 Q C 1.449 177.363 176.000 -0.144 0.000 0.961 1298 Q CA 0.560 56.286 55.803 -0.128 0.000 0.945 1298 Q CB 0.257 28.897 28.738 -0.165 0.000 1.012 1298 Q HN 0.567 nan 8.270 nan 0.000 0.515 1299 G N 1.254 109.980 108.800 -0.123 0.000 2.179 1299 G HA2 -0.305 3.782 3.960 0.211 0.000 0.260 1299 G HA3 -0.305 3.782 3.960 0.211 0.000 0.260 1299 G C 0.032 174.851 174.900 -0.134 0.000 0.977 1299 G CA -0.196 44.844 45.100 -0.100 0.000 0.641 1299 G HN 0.243 nan 8.290 nan 0.000 0.533 1300 R N 0.143 120.482 120.500 -0.267 0.000 2.539 1300 R HA 0.669 5.136 4.340 0.211 0.000 0.275 1300 R C 0.443 176.662 176.300 -0.136 0.000 1.077 1300 R CA -0.090 55.814 56.100 -0.327 0.000 1.097 1300 R CB 0.527 30.311 30.300 -0.861 0.000 1.018 1300 R HN 0.176 nan 8.270 nan 0.000 0.483 1301 R N 1.293 121.772 120.500 -0.035 0.000 2.817 1301 R HA 0.363 4.830 4.340 0.211 0.000 0.268 1301 R C -0.445 175.777 176.300 -0.129 0.000 1.027 1301 R CA -1.191 54.858 56.100 -0.086 0.000 0.928 1301 R CB 0.787 31.063 30.300 -0.039 0.000 1.228 1301 R HN 0.413 nan 8.270 nan 0.000 0.469 1302 L N 2.063 122.940 121.223 -0.576 0.000 2.514 1302 L HA 0.130 4.597 4.340 0.211 0.000 0.280 1302 L C 0.426 177.296 176.870 -0.001 0.000 1.223 1302 L CA 0.200 54.630 54.840 -0.685 0.000 0.864 1302 L CB 0.009 41.114 42.059 -1.589 0.000 1.118 1302 L HN 0.226 nan 8.230 nan 0.000 0.494 1303 L N 2.630 123.921 121.223 0.113 0.000 2.421 1303 L HA 0.246 4.713 4.340 0.211 0.000 0.263 1303 L C 0.469 177.400 176.870 0.102 0.000 1.122 1303 L CA -0.479 54.462 54.840 0.167 0.000 0.804 1303 L CB 0.682 42.786 42.059 0.076 0.000 1.150 1303 L HN 0.597 nan 8.230 nan 0.000 0.457 1304 Q N 2.241 121.715 119.800 -0.544 0.000 2.247 1304 Q HA 0.101 4.568 4.340 0.211 0.000 0.288 1304 Q C -2.232 173.585 176.000 -0.304 0.000 1.079 1304 Q CA -1.175 54.120 55.803 -0.845 0.000 0.932 1304 Q CB 0.653 28.731 28.738 -1.101 0.000 1.133 1304 Q HN 0.250 nan 8.270 nan 0.000 0.377 1305 P HA -0.017 nan 4.420 nan 0.000 0.272 1305 P C -1.029 176.137 177.300 -0.225 0.000 1.223 1305 P CA -0.240 62.709 63.100 -0.251 0.000 0.784 1305 P CB 0.553 32.035 31.700 -0.365 0.000 0.923 1306 E N 1.653 121.710 120.200 -0.238 0.000 2.413 1306 E HA -0.084 4.392 4.350 0.211 0.000 0.263 1306 E C -0.316 176.124 176.600 -0.267 0.000 1.015 1306 E CA 0.090 56.277 56.400 -0.356 0.000 0.916 1306 E CB -0.121 29.305 29.700 -0.457 0.000 0.947 1306 E HN 0.512 nan 8.360 nan 0.000 0.440 1307 Y N -0.663 119.591 120.300 -0.077 0.000 4.929 1307 Y HA -0.356 4.321 4.550 0.211 0.000 0.253 1307 Y C 0.693 176.541 175.900 -0.086 0.000 0.946 1307 Y CA 0.399 58.463 58.100 -0.060 0.000 1.905 1307 Y CB -2.062 36.365 38.460 -0.054 0.000 1.400 1307 Y HN 0.567 nan 8.280 nan 0.000 0.531 1308 C N 3.294 122.589 119.300 -0.008 0.000 2.576 1308 C HA 0.394 4.981 4.460 0.211 0.000 0.401 1308 C C -1.540 173.433 174.990 -0.028 0.000 1.314 1308 C CA -1.728 57.260 59.018 -0.051 0.000 1.855 1308 C CB -0.069 27.627 27.740 -0.073 0.000 2.537 1308 C HN 0.062 nan 8.230 nan 0.000 0.578 1309 P HA 0.123 nan 4.420 nan 0.000 0.268 1309 P C 0.387 177.714 177.300 0.045 0.000 1.204 1309 P CA 0.336 63.440 63.100 0.006 0.000 0.768 1309 P CB 0.587 32.258 31.700 -0.048 0.000 0.842 1310 D N 4.619 125.059 120.400 0.067 0.000 2.133 1310 D HA -0.167 4.599 4.640 0.211 0.000 0.192 1310 D C -0.672 175.685 176.300 0.095 0.000 1.001 1310 D CA 2.014 56.070 54.000 0.092 0.000 0.844 1310 D CB -1.900 38.945 40.800 0.075 0.000 0.944 1310 D HN 0.408 nan 8.370 nan 0.000 0.447 1311 P HA -0.093 nan 4.420 nan 0.000 0.218 1311 P C 1.715 179.030 177.300 0.024 0.000 1.148 1311 P CA 0.584 63.709 63.100 0.041 0.000 0.822 1311 P CB 0.015 31.742 31.700 0.045 0.000 0.784 1312 L N -1.956 119.285 121.223 0.029 0.000 2.109 1312 L HA -0.110 4.357 4.340 0.211 0.000 0.207 1312 L C 2.386 179.267 176.870 0.018 0.000 1.086 1312 L CA 1.585 56.431 54.840 0.009 0.000 0.760 1312 L CB -1.311 40.740 42.059 -0.013 0.000 0.910 1312 L HN -0.122 nan 8.230 nan 0.000 0.437 1313 Y N 0.348 120.613 120.300 -0.060 0.000 2.242 1313 Y HA -0.187 4.489 4.550 0.211 0.000 0.291 1313 Y C 2.373 178.213 175.900 -0.101 0.000 1.137 1313 Y CA 1.608 59.671 58.100 -0.061 0.000 1.181 1313 Y CB -0.048 38.409 38.460 -0.005 0.000 0.989 1313 Y HN 0.266 nan 8.280 nan 0.000 0.527 1314 E N -0.388 119.731 120.200 -0.135 0.000 2.110 1314 E HA -0.164 4.312 4.350 0.211 0.000 0.193 1314 E C 2.486 178.927 176.600 -0.265 0.000 0.988 1314 E CA 1.364 57.638 56.400 -0.209 0.000 0.804 1314 E CB -0.702 28.951 29.700 -0.079 0.000 0.745 1314 E HN 0.399 nan 8.360 nan 0.000 0.458 1315 V N 1.458 121.252 119.914 -0.200 0.000 2.295 1315 V HA -0.283 3.963 4.120 0.211 0.000 0.246 1315 V C 2.462 178.323 176.094 -0.389 0.000 1.049 1315 V CA 1.831 64.009 62.300 -0.204 0.000 1.024 1315 V CB -0.491 31.278 31.823 -0.090 0.000 0.648 1315 V HN 0.256 nan 8.190 nan 0.000 0.447 1316 M N -0.883 118.396 119.600 -0.536 0.000 2.080 1316 M HA -0.193 4.414 4.480 0.211 0.000 0.260 1316 M C 2.203 177.632 176.300 -1.451 0.000 1.068 1316 M CA 1.955 56.633 55.300 -1.037 0.000 1.109 1316 M CB -0.542 31.502 32.600 -0.928 0.000 1.342 1316 M HN 0.260 nan 8.290 nan 0.000 0.405 1317 L N -0.093 120.529 121.223 -1.002 0.000 2.079 1317 L HA -0.241 4.226 4.340 0.211 0.000 0.210 1317 L C 2.449 179.061 176.870 -0.429 0.000 1.081 1317 L CA 1.409 55.869 54.840 -0.633 0.000 0.752 1317 L CB -0.626 41.148 42.059 -0.475 0.000 0.896 1317 L HN 0.296 nan 8.230 nan 0.000 0.433 1318 K N -0.755 119.422 120.400 -0.371 0.000 2.097 1318 K HA -0.166 4.281 4.320 0.211 0.000 0.206 1318 K C 2.118 178.585 176.600 -0.222 0.000 1.049 1318 K CA 1.516 57.682 56.287 -0.202 0.000 0.933 1318 K CB -0.294 32.107 32.500 -0.165 0.000 0.717 1318 K HN 0.373 nan 8.250 nan 0.000 0.442 1319 C N -0.265 118.773 119.300 -0.436 0.000 2.432 1319 C HA -0.071 4.516 4.460 0.211 0.000 0.282 1319 C C 1.223 175.999 174.990 -0.357 0.000 1.388 1319 C CA 0.044 58.824 59.018 -0.398 0.000 1.777 1319 C CB -0.741 26.676 27.740 -0.538 0.000 1.882 1319 C HN 0.566 nan 8.230 nan 0.000 0.520 1320 W N 0.112 121.134 121.300 -0.463 0.000 3.067 1320 W HA 0.291 5.077 4.660 0.211 0.000 0.417 1320 W C 0.872 177.187 176.519 -0.339 0.000 1.029 1320 W CA -0.851 55.929 57.345 -0.941 0.000 1.992 1320 W CB -1.536 27.211 29.460 -1.189 0.000 1.122 1320 W HN 0.416 nan 8.180 nan 0.000 0.681 1321 H N 3.939 123.024 119.070 0.024 0.000 2.928 1321 H HA -0.008 4.674 4.556 0.211 0.000 0.338 1321 H C -1.135 174.339 175.328 0.244 0.000 1.047 1321 H CA -0.397 55.707 56.048 0.093 0.000 1.435 1321 H CB 1.522 31.308 29.762 0.039 0.000 1.428 1321 H HN -0.110 nan 8.280 nan 0.000 0.590 1322 P HA -0.081 nan 4.420 nan 0.000 0.225 1322 P C -0.295 177.191 177.300 0.309 0.000 1.148 1322 P CA 1.158 64.426 63.100 0.280 0.000 0.779 1322 P CB 0.390 32.151 31.700 0.101 0.000 0.780 1323 K N 0.172 120.872 120.400 0.500 0.000 2.292 1323 K HA 0.441 4.888 4.320 0.211 0.000 0.270 1323 K C 1.152 177.849 176.600 0.162 0.000 1.062 1323 K CA -0.296 56.153 56.287 0.270 0.000 0.916 1323 K CB 1.503 34.127 32.500 0.206 0.000 1.166 1323 K HN -0.173 nan 8.250 nan 0.000 0.458 1324 A N 3.665 126.559 122.820 0.123 0.000 1.903 1324 A HA -0.262 4.185 4.320 0.211 0.000 0.219 1324 A C 1.972 179.567 177.584 0.018 0.000 1.191 1324 A CA 2.042 54.132 52.037 0.089 0.000 0.638 1324 A CB -0.367 18.672 19.000 0.064 0.000 0.823 1324 A HN 0.865 nan 8.150 nan 0.000 0.451 1325 E N -0.507 119.686 120.200 -0.012 0.000 2.265 1325 E HA -0.191 4.286 4.350 0.211 0.000 0.196 1325 E C 1.469 178.003 176.600 -0.110 0.000 0.996 1325 E CA 1.336 57.707 56.400 -0.048 0.000 0.832 1325 E CB -0.458 29.221 29.700 -0.036 0.000 0.756 1325 E HN 0.567 nan 8.360 nan 0.000 0.491 1326 M N 0.820 120.296 119.600 -0.207 0.000 2.541 1326 M HA 0.165 4.771 4.480 0.211 0.000 0.252 1326 M C 0.829 176.965 176.300 -0.275 0.000 1.125 1326 M CA 0.266 55.337 55.300 -0.382 0.000 1.091 1326 M CB -0.389 31.583 32.600 -1.046 0.000 1.420 1326 M HN -0.058 nan 8.290 nan 0.000 0.486 1327 R N 1.640 122.055 120.500 -0.141 0.000 2.641 1327 R HA 0.220 4.687 4.340 0.211 0.000 0.269 1327 R C -2.095 174.135 176.300 -0.118 0.000 1.074 1327 R CA -1.376 54.671 56.100 -0.088 0.000 1.133 1327 R CB -0.206 30.082 30.300 -0.020 0.000 1.029 1327 R HN 0.033 nan 8.270 nan 0.000 0.488 1328 P HA -0.008 nan 4.420 nan 0.000 0.272 1328 P C -0.559 176.622 177.300 -0.197 0.000 1.240 1328 P CA -0.318 62.698 63.100 -0.141 0.000 0.791 1328 P CB 0.772 32.391 31.700 -0.135 0.000 0.978 1329 S N -0.033 115.573 115.700 -0.157 0.000 2.645 1329 S HA 0.258 4.855 4.470 0.211 0.000 0.266 1329 S C 0.999 175.465 174.600 -0.223 0.000 1.258 1329 S CA -0.344 57.755 58.200 -0.169 0.000 0.990 1329 S CB -0.089 63.077 63.200 -0.056 0.000 0.967 1329 S HN 0.214 nan 8.310 nan 0.000 0.556 1330 F N 0.644 120.545 119.950 -0.081 0.000 2.293 1330 F HA 0.014 4.668 4.527 0.211 0.000 0.300 1330 F C 2.992 178.725 175.800 -0.111 0.000 1.086 1330 F CA 1.282 59.195 58.000 -0.146 0.000 1.375 1330 F CB -0.798 38.105 39.000 -0.161 0.000 1.045 1330 F HN 0.691 nan 8.300 nan 0.000 0.516 1331 S N -0.208 115.551 115.700 0.098 0.000 2.368 1331 S HA -0.195 4.402 4.470 0.211 0.000 0.225 1331 S C 2.028 176.644 174.600 0.027 0.000 1.030 1331 S CA 1.570 59.804 58.200 0.056 0.000 0.999 1331 S CB -0.229 62.995 63.200 0.040 0.000 0.844 1331 S HN 0.462 nan 8.310 nan 0.000 0.459 1332 E N 0.403 120.602 120.200 -0.002 0.000 2.106 1332 E HA -0.072 4.404 4.350 0.211 0.000 0.192 1332 E C 2.110 178.701 176.600 -0.014 0.000 0.984 1332 E CA 1.118 57.509 56.400 -0.015 0.000 0.806 1332 E CB -0.200 29.475 29.700 -0.041 0.000 0.750 1332 E HN 0.474 nan 8.360 nan 0.000 0.458 1333 L N 0.400 121.602 121.223 -0.034 0.000 2.056 1333 L HA -0.171 4.296 4.340 0.211 0.000 0.207 1333 L C 2.435 179.323 176.870 0.030 0.000 1.078 1333 L CA 0.625 55.456 54.840 -0.016 0.000 0.749 1333 L CB -0.307 41.695 42.059 -0.095 0.000 0.901 1333 L HN 0.052 nan 8.230 nan 0.000 0.433 1334 V N -0.941 118.992 119.914 0.032 0.000 2.287 1334 V HA -0.300 3.946 4.120 0.211 0.000 0.248 1334 V C 2.585 178.715 176.094 0.060 0.000 1.053 1334 V CA 2.108 64.439 62.300 0.051 0.000 1.027 1334 V CB -0.426 31.430 31.823 0.055 0.000 0.646 1334 V HN 0.377 nan 8.190 nan 0.000 0.447 1335 S N -0.705 115.023 115.700 0.048 0.000 2.368 1335 S HA -0.197 4.400 4.470 0.211 0.000 0.225 1335 S C 2.105 176.738 174.600 0.055 0.000 1.030 1335 S CA 1.572 59.801 58.200 0.049 0.000 0.999 1335 S CB -0.297 62.923 63.200 0.034 0.000 0.844 1335 S HN 0.521 nan 8.310 nan 0.000 0.459 1336 R N 0.499 121.026 120.500 0.045 0.000 2.066 1336 R HA 0.053 4.520 4.340 0.211 0.000 0.232 1336 R C 2.227 178.570 176.300 0.071 0.000 1.131 1336 R CA 1.372 57.499 56.100 0.046 0.000 0.955 1336 R CB -0.463 29.853 30.300 0.026 0.000 0.851 1336 R HN 0.396 nan 8.270 nan 0.000 0.432 1337 I N 0.296 120.917 120.570 0.086 0.000 2.394 1337 I HA -0.215 4.081 4.170 0.211 0.000 0.251 1337 I C 2.149 178.345 176.117 0.131 0.000 1.136 1337 I CA 0.935 62.300 61.300 0.108 0.000 1.425 1337 I CB -0.188 37.892 38.000 0.134 0.000 1.079 1337 I HN 0.081 nan 8.210 nan 0.000 0.425 1338 S N 0.847 116.620 115.700 0.121 0.000 2.368 1338 S HA -0.182 4.415 4.470 0.211 0.000 0.225 1338 S C 2.280 177.003 174.600 0.204 0.000 1.030 1338 S CA 1.485 59.784 58.200 0.165 0.000 0.999 1338 S CB -0.296 62.984 63.200 0.133 0.000 0.844 1338 S HN 0.555 nan 8.310 nan 0.000 0.459 1339 A N 1.165 124.069 122.820 0.139 0.000 1.930 1339 A HA -0.009 4.438 4.320 0.211 0.000 0.217 1339 A C 2.050 179.713 177.584 0.131 0.000 1.175 1339 A CA 1.088 53.197 52.037 0.119 0.000 0.627 1339 A CB -0.629 18.418 19.000 0.078 0.000 0.815 1339 A HN 0.494 nan 8.150 nan 0.000 0.443 1340 I N -1.960 118.690 120.570 0.132 0.000 2.202 1340 I HA -0.216 4.081 4.170 0.211 0.000 0.242 1340 I C 2.344 178.563 176.117 0.170 0.000 1.091 1340 I CA 1.537 62.913 61.300 0.126 0.000 1.368 1340 I CB -0.358 37.696 38.000 0.090 0.000 1.058 1340 I HN 0.446 nan 8.210 nan 0.000 0.410 1341 F N 1.998 121.967 119.950 0.032 0.000 2.095 1341 F HA -0.310 4.344 4.527 0.211 0.000 0.298 1341 F C 2.852 178.690 175.800 0.063 0.000 1.104 1341 F CA 1.956 59.964 58.000 0.013 0.000 1.232 1341 F CB -0.295 38.685 39.000 -0.033 0.000 0.987 1341 F HN 0.122 nan 8.300 nan 0.000 0.475 1342 S N -1.381 114.474 115.700 0.258 0.000 2.447 1342 S HA -0.154 4.443 4.470 0.211 0.000 0.233 1342 S C 1.717 176.337 174.600 0.034 0.000 1.006 1342 S CA 1.240 59.526 58.200 0.143 0.000 0.957 1342 S CB -1.272 62.035 63.200 0.177 0.000 0.773 1342 S HN 0.563 nan 8.310 nan 0.000 0.507 1343 T N -2.443 112.143 114.554 0.053 0.000 3.069 1343 T HA 0.322 4.799 4.350 0.211 0.000 0.252 1343 T C 0.006 174.716 174.700 0.016 0.000 1.053 1343 T CA -0.518 61.598 62.100 0.027 0.000 0.964 1343 T CB -0.529 68.367 68.868 0.046 0.000 1.005 1343 T HN 0.313 nan 8.240 nan 0.000 0.532 1344 F N 3.499 123.371 119.950 -0.130 0.000 2.350 1344 F HA 0.500 5.154 4.527 0.212 0.000 0.365 1344 F C -0.423 175.257 175.800 -0.200 0.000 1.122 1344 F CA -2.177 55.735 58.000 -0.147 0.000 1.139 1344 F CB 0.398 39.299 39.000 -0.165 0.000 1.220 1344 F HN -0.011 nan 8.300 nan 0.000 0.499 1345 I N 6.720 126.955 120.570 -0.558 0.000 2.256 1345 I HA 0.358 4.655 4.170 0.211 0.000 0.294 1345 I C 0.603 176.405 176.117 -0.525 0.000 1.127 1345 I CA -0.119 60.941 61.300 -0.400 0.000 1.247 1345 I CB -0.455 37.387 38.000 -0.263 0.000 1.460 1345 I HN 0.678 nan 8.210 nan 0.000 0.511 1346 G N 4.620 113.190 108.800 -0.383 0.000 2.949 1346 G HA2 0.375 4.462 3.960 0.211 0.000 0.285 1346 G HA3 0.375 4.462 3.960 0.211 0.000 0.285 1346 G C -0.923 173.934 174.900 -0.071 0.000 1.395 1346 G CA -0.549 44.411 45.100 -0.234 0.000 0.901 1346 G HN 0.445 nan 8.290 nan 0.000 0.519 1347 E N -0.430 119.729 120.200 -0.067 0.000 2.360 1347 E HA 0.401 4.878 4.350 0.211 0.000 0.269 1347 E C -0.583 175.917 176.600 -0.166 0.000 1.022 1347 E CA -0.167 56.143 56.400 -0.150 0.000 0.887 1347 E CB 0.368 29.977 29.700 -0.151 0.000 0.990 1347 E HN 0.672 nan 8.360 nan 0.000 0.426 1348 H N 1.068 119.849 119.070 -0.482 0.000 3.046 1348 H HA 0.314 4.997 4.556 0.211 0.000 0.363 1348 H C -0.741 174.159 175.328 -0.713 0.000 1.203 1348 H CA -0.807 54.930 56.048 -0.518 0.000 1.169 1348 H CB 0.997 30.638 29.762 -0.200 0.000 1.851 1348 H HN 0.470 nan 8.280 nan 0.000 0.546 1349 H N 0.794 119.619 119.070 -0.410 0.000 3.046 1349 H HA 0.155 4.838 4.556 0.211 0.000 0.262 1349 H C -0.061 174.833 175.328 -0.723 0.000 1.044 1349 H CA -0.007 55.668 56.048 -0.622 0.000 1.209 1349 H CB 0.664 30.005 29.762 -0.701 0.000 1.507 1349 H HN 0.598 nan 8.280 nan 0.000 0.507 1350 H N 0.239 119.203 119.070 -0.177 0.000 2.651 1350 H HA 0.338 5.021 4.556 0.212 0.000 0.353 1350 H C -0.264 174.782 175.328 -0.470 0.000 1.178 1350 H CA -0.522 55.275 56.048 -0.419 0.000 1.224 1350 H CB 0.975 30.497 29.762 -0.400 0.000 1.702 1350 H HN 0.247 nan 8.280 nan 0.000 0.550 1351 H N 0.777 119.746 119.070 -0.169 0.000 2.519 1351 H HA 0.232 4.915 4.556 0.211 0.000 0.316 1351 H C 0.308 175.378 175.328 -0.430 0.000 1.065 1351 H CA -0.347 55.588 56.048 -0.188 0.000 1.264 1351 H CB 1.137 30.856 29.762 -0.072 0.000 1.413 1351 H HN 0.576 nan 8.280 nan 0.000 0.465 1352 H N 2.213 121.236 119.070 -0.079 0.000 2.923 1352 H HA 0.059 4.742 4.556 0.211 0.000 0.268 1352 H C 0.131 175.283 175.328 -0.294 0.000 1.148 1352 H CA -0.006 55.923 56.048 -0.200 0.000 1.146 1352 H CB 0.840 30.282 29.762 -0.532 0.000 1.607 1352 H HN 0.726 nan 8.280 nan 0.000 0.566 1353 H N 1.283 120.306 119.070 -0.079 0.000 2.579 1353 H HA 0.124 4.808 4.556 0.212 0.000 0.289 1353 H C 0.232 175.505 175.328 -0.092 0.000 1.270 1353 H CA -0.300 55.714 56.048 -0.055 0.000 1.060 1353 H CB -0.305 29.440 29.762 -0.028 0.000 1.554 1353 H HN 0.422 nan 8.280 nan 0.000 0.515 1354 H N 0.000 119.130 119.070 0.101 0.000 2.539 1354 H HA 0.000 4.683 4.556 0.212 0.000 0.296 1354 H CA 0.000 56.067 56.048 0.032 0.000 1.023 1354 H CB 0.000 29.753 29.762 -0.016 0.000 1.292 1354 H HN 0.000 nan 8.280 nan 0.000 0.496