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 3l8v_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 FLASKKFVHR DATA SEQUENCE DLAARNCMLD EKFTVKVADF GXXXXXXXXX XXXXXNKTGA KLPVKWMALE DATA SEQUENCE SLQTQKFTTK SDVWSFGVLL WELMTRGAPP YPDVNTFDIT VYLLQGRRLL DATA SEQUENCE QPEYCPDPLY EVMLKCWHPK AEMRPSFSEL VSRISAIFST FIGEHYVHVN DATA SEQUENCE ATYVNVK 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 0.000 176.305 176.300 0.008 0.000 2.045 1054 D CA 0.000 54.004 54.000 0.006 0.000 0.868 1054 D CB 0.000 40.803 40.800 0.005 0.000 0.688 1055 L N 0.417 121.645 121.223 0.008 0.000 2.079 1055 L HA -0.011 4.329 4.340 0.000 0.000 0.210 1055 L C 1.878 178.749 176.870 0.003 0.000 1.081 1055 L CA 1.997 56.841 54.840 0.007 0.000 0.752 1055 L CB -0.421 41.642 42.059 0.006 0.000 0.896 1055 L HN 0.211 nan 8.230 nan 0.000 0.433 1056 S N -1.345 114.355 115.700 0.001 0.000 2.453 1056 S HA 0.071 4.541 4.470 0.000 0.000 0.231 1056 S C 1.736 176.335 174.600 -0.000 0.000 1.005 1056 S CA 0.686 58.886 58.200 -0.001 0.000 0.949 1056 S CB -0.225 62.974 63.200 -0.002 0.000 0.774 1056 S HN 0.593 nan 8.310 nan 0.000 0.510 1057 A N 0.352 123.174 122.820 0.002 0.000 2.278 1057 A HA 0.388 4.708 4.320 0.000 0.000 0.212 1057 A C 1.559 179.145 177.584 0.005 0.000 1.213 1057 A CA -0.096 51.943 52.037 0.003 0.000 0.840 1057 A CB -0.221 18.781 19.000 0.004 0.000 0.866 1057 A HN 0.477 nan 8.150 nan 0.000 0.489 1058 L N -0.700 120.526 121.223 0.005 0.000 1.932 1058 L HA 0.064 4.404 4.340 0.000 0.000 0.213 1058 L C 0.692 177.564 176.870 0.003 0.000 1.108 1058 L CA 0.878 55.722 54.840 0.007 0.000 0.778 1058 L CB -0.007 42.056 42.059 0.007 0.000 0.891 1058 L HN 0.548 nan 8.230 nan 0.000 0.436 1059 N N -1.910 116.789 118.700 -0.002 0.000 4.383 1059 N HA 0.026 4.766 4.740 0.000 0.000 0.183 1059 N C -2.405 173.099 175.510 -0.011 0.000 1.040 1059 N CA -0.621 52.426 53.050 -0.005 0.000 1.126 1059 N CB 1.309 39.794 38.487 -0.003 0.000 1.593 1059 N HN -0.174 nan 8.380 nan 0.000 0.856 1060 P HA -0.109 nan 4.420 nan 0.000 0.218 1060 P C 0.845 178.131 177.300 -0.025 0.000 1.148 1060 P CA 1.271 64.361 63.100 -0.018 0.000 0.822 1060 P CB 0.694 32.387 31.700 -0.012 0.000 0.784 1061 E N -0.611 119.578 120.200 -0.018 0.000 2.107 1061 E HA -0.096 4.254 4.350 0.000 0.000 0.191 1061 E C 1.955 178.537 176.600 -0.030 0.000 0.982 1061 E CA 0.358 56.747 56.400 -0.019 0.000 0.809 1061 E CB -0.874 28.821 29.700 -0.008 0.000 0.756 1061 E HN 0.043 nan 8.360 nan 0.000 0.459 1062 L N -0.447 120.759 121.223 -0.028 0.000 2.027 1062 L HA -0.110 4.230 4.340 0.000 0.000 0.206 1062 L C 2.042 178.883 176.870 -0.050 0.000 1.074 1062 L CA 1.307 56.127 54.840 -0.033 0.000 0.745 1062 L CB -0.400 41.647 42.059 -0.020 0.000 0.898 1062 L HN 0.034 nan 8.230 nan 0.000 0.433 1063 V N 0.287 120.172 119.914 -0.048 0.000 2.343 1063 V HA -0.309 3.811 4.120 0.000 0.000 0.247 1063 V C 2.644 178.672 176.094 -0.110 0.000 1.051 1063 V CA 1.902 64.165 62.300 -0.061 0.000 1.036 1063 V CB -0.987 30.811 31.823 -0.042 0.000 0.654 1063 V HN 0.743 nan 8.190 nan 0.000 0.451 1064 Q N 1.529 121.253 119.800 -0.126 0.000 2.172 1064 Q HA -0.014 4.326 4.340 0.000 0.000 0.200 1064 Q C 1.977 177.755 176.000 -0.371 0.000 0.964 1064 Q CA 2.060 57.724 55.803 -0.231 0.000 0.855 1064 Q CB -0.816 27.836 28.738 -0.144 0.000 0.918 1064 Q HN 0.457 nan 8.270 nan 0.000 0.444 1065 A N 0.744 123.461 122.820 -0.171 0.000 1.898 1065 A HA -0.037 4.283 4.320 0.000 0.000 0.216 1065 A C 2.316 179.839 177.584 -0.102 0.000 1.181 1065 A CA 1.424 53.410 52.037 -0.085 0.000 0.620 1065 A CB -0.742 18.236 19.000 -0.037 0.000 0.819 1065 A HN 0.246 nan 8.150 nan 0.000 0.442 1066 V N -0.185 119.662 119.914 -0.111 0.000 2.515 1066 V HA -0.267 3.854 4.120 0.000 0.000 0.250 1066 V C 2.557 178.592 176.094 -0.099 0.000 1.058 1066 V CA 2.022 64.271 62.300 -0.086 0.000 1.064 1066 V CB -0.806 30.979 31.823 -0.064 0.000 0.675 1066 V HN 0.618 nan 8.190 nan 0.000 0.461 1067 Q N -0.781 118.912 119.800 -0.178 0.000 2.124 1067 Q HA -0.206 4.135 4.340 0.000 0.000 0.202 1067 Q C 2.212 178.137 176.000 -0.126 0.000 0.977 1067 Q CA 1.560 57.252 55.803 -0.184 0.000 0.850 1067 Q CB -0.134 28.443 28.738 -0.269 0.000 0.901 1067 Q HN 0.712 nan 8.270 nan 0.000 0.429 1068 H N -1.227 117.828 119.070 -0.024 0.000 2.524 1068 H HA -0.029 4.527 4.556 0.000 0.000 0.282 1068 H C 1.551 176.861 175.328 -0.030 0.000 1.016 1068 H CA 1.224 57.257 56.048 -0.025 0.000 1.270 1068 H CB 0.191 29.937 29.762 -0.027 0.000 1.394 1068 H HN 0.207 nan 8.280 nan 0.000 0.568 1069 V N -2.238 117.707 119.914 0.051 0.000 3.176 1069 V HA 0.279 4.399 4.120 0.000 0.000 0.332 1069 V C 0.776 176.866 176.094 -0.007 0.000 1.414 1069 V CA -0.487 61.819 62.300 0.010 0.000 1.133 1069 V CB -0.102 31.710 31.823 -0.018 0.000 1.088 1069 V HN -0.072 nan 8.190 nan 0.000 0.473 1070 V N 2.761 122.673 119.914 -0.004 0.000 2.655 1070 V HA 0.317 4.437 4.120 0.000 0.000 0.300 1070 V C -0.029 176.064 176.094 -0.002 0.000 1.044 1070 V CA 0.245 62.540 62.300 -0.008 0.000 1.095 1070 V CB 1.111 32.926 31.823 -0.013 0.000 0.952 1070 V HN 0.422 nan 8.190 nan 0.000 0.485 1071 I N 6.181 126.750 120.570 -0.002 0.000 2.389 1071 I HA 0.397 4.567 4.170 0.000 0.000 0.288 1071 I C 0.811 176.929 176.117 0.002 0.000 0.999 1071 I CA -0.213 61.087 61.300 -0.000 0.000 1.129 1071 I CB 0.962 38.961 38.000 -0.002 0.000 1.288 1071 I HN 0.691 nan 8.210 nan 0.000 0.444 1072 G N 7.024 115.825 108.800 0.002 0.000 2.406 1072 G HA2 0.337 4.297 3.960 0.000 0.000 0.251 1072 G HA3 0.337 4.297 3.960 0.000 0.000 0.251 1072 G C -1.852 173.050 174.900 0.003 0.000 1.271 1072 G CA -0.801 44.301 45.100 0.003 0.000 0.859 1072 G HN 0.449 nan 8.290 nan 0.000 0.540 1073 P HA -0.019 nan 4.420 nan 0.000 0.236 1073 P C 1.514 178.815 177.300 0.002 0.000 1.172 1073 P CA 0.749 63.853 63.100 0.007 0.000 0.759 1073 P CB 0.494 32.201 31.700 0.013 0.000 0.843 1074 S N -0.976 114.724 115.700 -0.000 0.000 2.456 1074 S HA -0.044 4.426 4.470 0.000 0.000 0.224 1074 S C 1.750 176.347 174.600 -0.006 0.000 1.035 1074 S CA 0.945 59.144 58.200 -0.002 0.000 0.940 1074 S CB -0.472 62.727 63.200 -0.000 0.000 0.799 1074 S HN 0.293 nan 8.310 nan 0.000 0.508 1075 S N 0.610 116.307 115.700 -0.006 0.000 2.603 1075 S HA 0.273 4.743 4.470 0.000 0.000 0.220 1075 S C 0.035 174.626 174.600 -0.015 0.000 0.967 1075 S CA -0.281 57.915 58.200 -0.008 0.000 0.920 1075 S CB -0.247 62.951 63.200 -0.004 0.000 0.773 1075 S HN 0.284 nan 8.310 nan 0.000 0.529 1076 L N 1.240 122.449 121.223 -0.023 0.000 2.406 1076 L HA 0.667 5.007 4.340 0.000 0.000 0.272 1076 L C -1.726 175.098 176.870 -0.076 0.000 0.980 1076 L CA -0.878 53.935 54.840 -0.045 0.000 0.831 1076 L CB 1.592 43.629 42.059 -0.037 0.000 1.253 1076 L HN 0.119 nan 8.230 nan 0.000 0.406 1077 I N 5.997 126.488 120.570 -0.132 0.000 2.355 1077 I HA 0.427 4.597 4.170 0.000 0.000 0.288 1077 I C -0.465 175.387 176.117 -0.442 0.000 0.999 1077 I CA -0.575 60.594 61.300 -0.219 0.000 1.163 1077 I CB 1.664 39.558 38.000 -0.177 0.000 1.316 1077 I HN 0.189 nan 8.210 nan 0.000 0.454 1078 V N 5.657 125.313 119.914 -0.430 0.000 2.383 1078 V HA 0.225 4.345 4.120 0.000 0.000 0.275 1078 V C 0.073 175.770 176.094 -0.662 0.000 1.036 1078 V CA -0.649 61.256 62.300 -0.658 0.000 0.889 1078 V CB 0.481 31.740 31.823 -0.939 0.000 0.985 1078 V HN 0.576 nan 8.190 nan 0.000 0.459 1079 H N 6.006 124.932 119.070 -0.240 0.000 2.914 1079 H HA 0.220 4.776 4.556 0.000 0.000 0.264 1079 H C 0.530 175.817 175.328 -0.069 0.000 1.433 1079 H CA -0.389 55.616 56.048 -0.073 0.000 1.342 1079 H CB 0.156 29.927 29.762 0.016 0.000 1.582 1079 H HN 0.612 nan 8.280 nan 0.000 0.525 1080 F N 1.618 121.552 119.950 -0.028 0.000 2.333 1080 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 1080 F C 2.272 178.161 175.800 0.148 0.000 1.083 1080 F CA 0.714 58.619 58.000 -0.158 0.000 1.395 1080 F CB 0.014 38.836 39.000 -0.296 0.000 1.056 1080 F HN 0.495 nan 8.300 nan 0.000 0.529 1081 N N 0.820 119.696 118.700 0.294 0.000 2.354 1081 N HA -0.138 4.602 4.740 0.000 0.000 0.179 1081 N C 0.037 175.677 175.510 0.216 0.000 1.021 1081 N CA 0.704 53.884 53.050 0.217 0.000 0.887 1081 N CB -0.564 38.008 38.487 0.143 0.000 0.974 1081 N HN 0.324 nan 8.380 nan 0.000 0.437 1082 E N 1.899 122.255 120.200 0.259 0.000 1.998 1082 E HA 0.185 4.535 4.350 0.000 0.000 0.257 1082 E C -0.458 176.380 176.600 0.396 0.000 1.038 1082 E CA -0.546 56.014 56.400 0.268 0.000 0.869 1082 E CB 1.183 30.991 29.700 0.179 0.000 1.135 1082 E HN 0.200 nan 8.360 nan 0.000 0.430 1083 V N 0.976 121.056 119.914 0.276 0.000 2.488 1083 V HA 0.295 4.415 4.120 0.000 0.000 0.277 1083 V C 0.353 176.516 176.094 0.114 0.000 1.046 1083 V CA -0.438 61.946 62.300 0.139 0.000 0.986 1083 V CB 0.511 32.357 31.823 0.038 0.000 0.989 1083 V HN 0.480 nan 8.190 nan 0.000 0.475 1084 I N 5.363 125.937 120.570 0.006 0.000 2.541 1084 I HA 0.586 4.756 4.170 0.000 0.000 0.295 1084 I C 1.073 177.195 176.117 0.008 0.000 1.137 1084 I CA 0.115 61.425 61.300 0.017 0.000 1.256 1084 I CB -0.249 37.711 38.000 -0.067 0.000 1.648 1084 I HN 1.147 nan 8.210 nan 0.000 0.570 1085 G N 2.747 111.546 108.800 -0.002 0.000 3.445 1085 G HA2 -0.202 3.758 3.960 0.000 0.000 0.680 1085 G HA3 -0.202 3.758 3.960 0.000 0.000 0.680 1085 G C 0.507 175.363 174.900 -0.073 0.000 0.972 1085 G CA -0.720 44.362 45.100 -0.030 0.000 0.798 1085 G HN 0.583 nan 8.290 nan 0.000 0.461 1086 R N 2.040 122.494 120.500 -0.076 0.000 2.189 1086 R HA 0.062 4.402 4.340 0.000 0.000 0.223 1086 R C 2.605 178.858 176.300 -0.079 0.000 1.092 1086 R CA 1.618 57.659 56.100 -0.099 0.000 0.989 1086 R CB -0.309 29.941 30.300 -0.083 0.000 0.876 1086 R HN 1.976 nan 8.270 nan 0.000 0.457 1087 G N 0.551 109.319 108.800 -0.053 0.000 2.646 1087 G HA2 -0.393 3.567 3.960 0.000 0.000 0.324 1087 G HA3 -0.393 3.567 3.960 0.000 0.000 0.324 1087 G C 0.475 175.401 174.900 0.043 0.000 1.195 1087 G CA 0.952 46.046 45.100 -0.010 0.000 0.976 1087 G HN 0.506 nan 8.290 nan 0.000 0.546 1088 H N -1.462 117.590 119.070 -0.029 0.000 5.303 1088 H HA 0.421 4.977 4.556 -0.000 0.000 0.124 1088 H C 0.309 175.574 175.328 -0.105 0.000 1.316 1088 H CA -0.090 55.943 56.048 -0.025 0.000 0.217 1088 H CB 0.056 29.872 29.762 0.091 0.000 1.678 1088 H HN 0.291 nan 8.280 nan 0.000 0.189 1089 F N 1.324 121.411 119.950 0.227 0.000 2.949 1089 F HA 0.376 4.903 4.527 0.000 0.000 0.291 1089 F C 0.421 176.270 175.800 0.081 0.000 1.214 1089 F CA 0.319 58.388 58.000 0.116 0.000 1.381 1089 F CB 0.684 39.776 39.000 0.152 0.000 1.066 1089 F HN 0.331 nan 8.300 nan 0.000 0.520 1090 G N -0.044 108.849 108.800 0.156 0.000 2.552 1090 G HA2 0.422 4.382 3.960 0.000 0.000 0.288 1090 G HA3 0.422 4.382 3.960 0.000 0.000 0.288 1090 G C -1.744 173.196 174.900 0.067 0.000 1.358 1090 G CA -0.498 44.678 45.100 0.127 0.000 1.305 1090 G HN 0.107 nan 8.290 nan 0.000 0.602 1091 C N 1.364 120.678 119.300 0.024 0.000 2.391 1091 C HA 0.828 5.288 4.460 0.000 0.000 0.339 1091 C C 0.369 175.234 174.990 -0.209 0.000 1.205 1091 C CA -0.386 58.543 59.018 -0.148 0.000 1.937 1091 C CB 1.297 28.892 27.740 -0.243 0.000 2.341 1091 C HN 0.605 nan 8.230 nan 0.000 0.516 1092 V N 3.192 122.896 119.914 -0.352 0.000 2.540 1092 V HA 0.551 4.671 4.120 0.000 0.000 0.302 1092 V C -1.098 174.724 176.094 -0.453 0.000 1.035 1092 V CA -0.501 61.661 62.300 -0.230 0.000 0.873 1092 V CB 1.280 33.099 31.823 -0.007 0.000 0.992 1092 V HN 0.838 nan 8.190 nan 0.000 0.428 1093 Y N 1.365 121.657 120.300 -0.014 0.000 2.602 1093 Y HA 0.549 5.099 4.550 -0.000 0.000 0.342 1093 Y C 0.495 176.353 175.900 -0.070 0.000 1.029 1093 Y CA -1.057 57.023 58.100 -0.032 0.000 1.080 1093 Y CB 1.272 39.650 38.460 -0.137 0.000 1.284 1093 Y HN 0.526 nan 8.280 nan 0.000 0.485 1094 H N 0.372 119.582 119.070 0.232 0.000 2.732 1094 H HA 0.474 5.031 4.556 0.000 0.000 0.351 1094 H C -0.030 175.426 175.328 0.212 0.000 1.090 1094 H CA 0.430 56.616 56.048 0.230 0.000 1.431 1094 H CB 1.160 31.064 29.762 0.238 0.000 1.447 1094 H HN 0.887 nan 8.280 nan 0.000 0.582 1095 G N 0.966 109.929 108.800 0.272 0.000 2.660 1095 G HA2 0.380 4.340 3.960 0.000 0.000 0.294 1095 G HA3 0.380 4.340 3.960 0.000 0.000 0.294 1095 G C -1.098 173.874 174.900 0.119 0.000 1.369 1095 G CA -0.543 44.574 45.100 0.028 0.000 0.912 1095 G HN 0.481 nan 8.290 nan 0.000 0.479 1096 T N 0.721 115.259 114.554 -0.027 0.000 2.792 1096 T HA 0.560 4.910 4.350 0.000 0.000 0.280 1096 T C -0.921 173.774 174.700 -0.009 0.000 0.990 1096 T CA -0.295 61.826 62.100 0.036 0.000 0.960 1096 T CB 1.583 70.489 68.868 0.064 0.000 0.939 1096 T HN 0.475 nan 8.240 nan 0.000 0.439 1097 L N 4.193 125.427 121.223 0.018 0.000 2.362 1097 L HA 0.608 4.948 4.340 0.000 0.000 0.275 1097 L C -1.502 175.373 176.870 0.009 0.000 0.998 1097 L CA -0.896 53.948 54.840 0.006 0.000 0.820 1097 L CB 1.151 43.218 42.059 0.013 0.000 1.270 1097 L HN 0.397 nan 8.230 nan 0.000 0.415 1098 L N 4.068 125.292 121.223 0.001 0.000 2.257 1098 L HA 0.419 4.759 4.340 0.000 0.000 0.290 1098 L C -0.458 176.414 176.870 0.002 0.000 1.044 1098 L CA -0.140 54.701 54.840 0.002 0.000 0.810 1098 L CB 0.680 42.739 42.059 -0.000 0.000 1.193 1098 L HN 0.605 nan 8.230 nan 0.000 0.425 1099 D N 3.308 123.711 120.400 0.004 0.000 2.233 1099 D HA 0.233 4.873 4.640 0.000 0.000 0.240 1099 D C 1.069 177.370 176.300 0.001 0.000 1.074 1099 D CA 0.050 54.052 54.000 0.003 0.000 0.838 1099 D CB 1.084 41.886 40.800 0.004 0.000 1.124 1099 D HN 0.639 nan 8.370 nan 0.000 0.475 1100 N N 2.903 121.603 118.700 0.000 0.000 3.420 1100 N HA -0.354 4.386 4.740 0.000 0.000 0.193 1100 N C -1.017 174.493 175.510 0.000 0.000 0.182 1100 N CA 2.481 55.531 53.050 -0.000 0.000 2.553 1100 N CB -0.791 37.695 38.487 -0.001 0.000 1.210 1100 N HN 0.709 nan 8.380 nan 0.000 0.390 1101 D N -1.871 118.529 120.400 0.000 0.000 2.890 1101 D HA 0.521 5.161 4.640 0.000 0.000 0.233 1101 D C 0.681 176.981 176.300 0.001 0.000 1.306 1101 D CA 0.226 54.226 54.000 0.000 0.000 0.929 1101 D CB 1.394 42.194 40.800 -0.000 0.000 1.512 1101 D HN 0.603 nan 8.370 nan 0.000 0.568 1102 G N 2.405 111.205 108.800 0.001 0.000 2.623 1102 G HA2 -0.440 3.520 3.960 0.000 0.000 0.241 1102 G HA3 -0.440 3.520 3.960 0.000 0.000 0.241 1102 G C 0.211 175.112 174.900 0.002 0.000 1.114 1102 G CA 0.577 45.677 45.100 0.001 0.000 0.682 1102 G HN 0.692 nan 8.290 nan 0.000 0.524 1103 K N 1.341 121.743 120.400 0.003 0.000 2.404 1103 K HA 0.157 4.477 4.320 0.000 0.000 0.271 1103 K C 0.266 176.871 176.600 0.008 0.000 1.130 1103 K CA 1.177 57.467 56.287 0.005 0.000 1.181 1103 K CB 0.160 32.664 32.500 0.006 0.000 0.840 1103 K HN 0.616 nan 8.250 nan 0.000 0.483 1104 K N 3.089 123.494 120.400 0.008 0.000 2.535 1104 K HA 0.173 4.493 4.320 0.000 0.000 0.242 1104 K C -0.063 176.550 176.600 0.022 0.000 1.210 1104 K CA -0.467 55.825 56.287 0.010 0.000 1.178 1104 K CB -0.463 32.037 32.500 -0.000 0.000 1.778 1104 K HN 0.506 nan 8.250 nan 0.000 0.372 1105 I N -1.827 118.765 120.570 0.036 0.000 2.588 1105 I HA 0.152 4.322 4.170 0.000 0.000 0.283 1105 I C -0.074 176.116 176.117 0.121 0.000 1.119 1105 I CA -0.195 61.145 61.300 0.066 0.000 1.419 1105 I CB 0.495 38.526 38.000 0.052 0.000 1.394 1105 I HN 0.488 nan 8.210 nan 0.000 0.562 1106 H N 6.154 125.239 119.070 0.024 0.000 2.690 1106 H HA 0.536 5.092 4.556 -0.000 0.000 0.314 1106 H C -0.523 174.845 175.328 0.066 0.000 1.069 1106 H CA -0.710 55.349 56.048 0.019 0.000 1.436 1106 H CB 0.794 30.544 29.762 -0.019 0.000 1.462 1106 H HN 1.033 nan 8.280 nan 0.000 0.511 1107 C N 2.945 122.382 119.300 0.229 0.000 3.236 1107 C HA 0.876 5.336 4.460 0.000 0.000 0.312 1107 C C -0.538 174.491 174.990 0.065 0.000 1.374 1107 C CA -0.852 58.224 59.018 0.095 0.000 1.455 1107 C CB 0.738 28.517 27.740 0.065 0.000 1.834 1107 C HN 0.930 nan 8.230 nan 0.000 0.460 1108 A N 0.931 123.773 122.820 0.037 0.000 2.318 1108 A HA 0.762 5.082 4.320 0.000 0.000 0.324 1108 A C -0.801 176.792 177.584 0.015 0.000 1.170 1108 A CA -0.431 51.614 52.037 0.013 0.000 0.810 1108 A CB 0.787 19.782 19.000 -0.009 0.000 1.198 1108 A HN 1.416 nan 8.150 nan 0.000 0.484 1109 V N 3.512 123.452 119.914 0.044 0.000 2.350 1109 V HA 0.323 4.443 4.120 0.000 0.000 0.285 1109 V C 0.209 176.397 176.094 0.156 0.000 1.014 1109 V CA -0.625 61.720 62.300 0.076 0.000 0.831 1109 V CB 1.240 33.079 31.823 0.027 0.000 1.000 1109 V HN 0.898 nan 8.190 nan 0.000 0.433 1110 K N 2.881 123.378 120.400 0.161 0.000 2.201 1110 K HA 0.648 4.968 4.320 0.000 0.000 0.278 1110 K C -0.044 176.792 176.600 0.394 0.000 1.027 1110 K CA 0.012 56.442 56.287 0.238 0.000 0.909 1110 K CB 1.472 34.097 32.500 0.207 0.000 1.062 1110 K HN 0.740 nan 8.250 nan 0.000 0.465 1111 S N 3.220 119.110 115.700 0.316 0.000 3.081 1111 S HA 0.619 5.089 4.470 0.000 0.000 0.316 1111 S C -1.301 173.253 174.600 -0.076 0.000 1.089 1111 S CA -0.694 57.614 58.200 0.180 0.000 0.897 1111 S CB 0.246 63.642 63.200 0.327 0.000 1.358 1111 S HN 0.678 nan 8.310 nan 0.000 0.678 1112 L N 1.814 122.990 121.223 -0.079 0.000 1.152 1112 L HA -0.068 4.272 4.340 0.000 0.000 0.395 1112 L C -1.016 175.709 176.870 -0.241 0.000 1.003 1112 L CA 0.169 54.962 54.840 -0.079 0.000 1.222 1112 L CB -0.549 41.535 42.059 0.041 0.000 0.742 1112 L HN 0.938 nan 8.230 nan 0.000 0.402 1113 N N 3.315 121.937 118.700 -0.130 0.000 3.685 1113 N HA -0.042 4.698 4.740 0.000 0.000 0.263 1113 N C -1.020 174.525 175.510 0.060 0.000 1.388 1113 N CA 0.153 53.190 53.050 -0.021 0.000 1.420 1113 N CB 0.012 38.501 38.487 0.003 0.000 1.131 1113 N HN 0.645 nan 8.380 nan 0.000 0.533 1114 R N 3.066 123.589 120.500 0.037 0.000 2.660 1114 R HA 0.069 4.409 4.340 0.000 0.000 0.249 1114 R C 0.568 176.867 176.300 -0.001 0.000 1.018 1114 R CA -0.242 55.856 56.100 -0.002 0.000 0.824 1114 R CB -0.189 30.107 30.300 -0.008 0.000 1.444 1114 R HN 0.488 nan 8.270 nan 0.000 0.327 1115 I N -0.589 119.972 120.570 -0.016 0.000 3.196 1115 I HA 0.165 4.335 4.170 0.000 0.000 0.248 1115 I C 0.686 176.792 176.117 -0.018 0.000 1.105 1115 I CA 1.055 62.342 61.300 -0.022 0.000 1.482 1115 I CB 0.020 37.995 38.000 -0.042 0.000 1.400 1115 I HN 0.283 nan 8.210 nan 0.000 0.464 1116 T N 2.300 116.842 114.554 -0.021 0.000 2.799 1116 T HA 0.004 4.354 4.350 0.000 0.000 0.296 1116 T C 0.936 175.634 174.700 -0.004 0.000 0.947 1116 T CA 0.835 62.927 62.100 -0.012 0.000 1.141 1116 T CB -0.041 68.819 68.868 -0.013 0.000 0.891 1116 T HN 0.478 nan 8.240 nan 0.000 0.533 1117 D N 3.812 124.211 120.400 -0.002 0.000 5.151 1117 D HA -0.244 4.396 4.640 0.000 0.000 0.243 1117 D C 1.033 177.336 176.300 0.005 0.000 1.563 1117 D CA 2.633 56.633 54.000 0.001 0.000 0.858 1117 D CB -0.088 40.712 40.800 0.001 0.000 0.880 1117 D HN 0.616 nan 8.370 nan 0.000 0.721 1118 I N -2.691 117.885 120.570 0.009 0.000 4.724 1118 I HA 0.255 4.425 4.170 0.000 0.000 0.398 1118 I C 1.546 177.677 176.117 0.023 0.000 1.074 1118 I CA 0.772 62.082 61.300 0.017 0.000 1.395 1118 I CB 0.046 38.056 38.000 0.015 0.000 2.372 1118 I HN 0.121 nan 8.210 nan 0.000 0.746 1119 G N 1.216 110.026 108.800 0.018 0.000 2.446 1119 G HA2 -0.274 3.686 3.960 0.000 0.000 0.217 1119 G HA3 -0.274 3.686 3.960 0.000 0.000 0.217 1119 G C 1.265 176.186 174.900 0.034 0.000 1.168 1119 G CA 1.320 46.433 45.100 0.021 0.000 0.771 1119 G HN 0.621 nan 8.290 nan 0.000 0.551 1120 E N 0.131 120.349 120.200 0.030 0.000 2.216 1120 E HA -0.008 4.342 4.350 0.000 0.000 0.192 1120 E C 2.343 178.995 176.600 0.086 0.000 0.988 1120 E CA 0.914 57.342 56.400 0.046 0.000 0.834 1120 E CB -0.300 29.409 29.700 0.015 0.000 0.772 1120 E HN 0.291 nan 8.360 nan 0.000 0.479 1121 V N 1.181 121.138 119.914 0.072 0.000 2.379 1121 V HA -0.220 3.900 4.120 0.000 0.000 0.245 1121 V C 2.556 178.739 176.094 0.148 0.000 1.044 1121 V CA 1.792 64.161 62.300 0.114 0.000 1.036 1121 V CB -0.407 31.456 31.823 0.068 0.000 0.664 1121 V HN 0.319 nan 8.190 nan 0.000 0.453 1122 S N -0.723 115.031 115.700 0.090 0.000 2.368 1122 S HA -0.265 4.205 4.470 0.000 0.000 0.225 1122 S C 2.067 176.709 174.600 0.070 0.000 1.030 1122 S CA 1.931 60.169 58.200 0.065 0.000 0.999 1122 S CB -0.203 63.020 63.200 0.039 0.000 0.844 1122 S HN 0.594 nan 8.310 nan 0.000 0.459 1123 Q N 0.201 120.053 119.800 0.087 0.000 2.079 1123 Q HA -0.027 4.313 4.340 0.000 0.000 0.200 1123 Q C 1.694 177.763 176.000 0.115 0.000 0.974 1123 Q CA 1.661 57.513 55.803 0.083 0.000 0.840 1123 Q CB -0.714 28.073 28.738 0.081 0.000 0.898 1123 Q HN 0.606 nan 8.270 nan 0.000 0.430 1124 F N -0.214 119.743 119.950 0.012 0.000 2.134 1124 F HA -0.092 4.435 4.527 -0.000 0.000 0.299 1124 F C 1.563 177.364 175.800 0.003 0.000 1.097 1124 F CA 1.242 59.252 58.000 0.016 0.000 1.264 1124 F CB -0.157 38.861 39.000 0.030 0.000 1.001 1124 F HN 0.114 nan 8.300 nan 0.000 0.479 1125 L N -0.664 120.570 121.223 0.019 0.000 2.141 1125 L HA -0.187 4.153 4.340 0.000 0.000 0.209 1125 L C 2.297 179.097 176.870 -0.117 0.000 1.094 1125 L CA 1.608 56.398 54.840 -0.083 0.000 0.763 1125 L CB -0.944 41.123 42.059 0.013 0.000 0.908 1125 L HN 0.118 nan 8.230 nan 0.000 0.437 1126 T N -0.958 113.555 114.554 -0.067 0.000 2.737 1126 T HA -0.195 4.155 4.350 0.000 0.000 0.265 1126 T C 1.709 176.344 174.700 -0.109 0.000 1.038 1126 T CA 1.320 63.379 62.100 -0.069 0.000 1.144 1126 T CB -0.173 68.680 68.868 -0.025 0.000 0.866 1126 T HN 0.333 nan 8.240 nan 0.000 0.434 1127 E N 0.543 120.674 120.200 -0.115 0.000 2.097 1127 E HA -0.115 4.235 4.350 0.000 0.000 0.196 1127 E C 2.469 178.941 176.600 -0.213 0.000 1.000 1127 E CA 1.133 57.453 56.400 -0.133 0.000 0.804 1127 E CB -0.397 29.236 29.700 -0.112 0.000 0.740 1127 E HN 0.551 nan 8.360 nan 0.000 0.454 1128 G N 0.833 109.459 108.800 -0.290 0.000 2.394 1128 G HA2 -0.188 3.772 3.960 0.000 0.000 0.215 1128 G HA3 -0.188 3.772 3.960 0.000 0.000 0.215 1128 G C 1.495 176.247 174.900 -0.248 0.000 1.165 1128 G CA 0.103 45.029 45.100 -0.291 0.000 0.784 1128 G HN 0.117 nan 8.290 nan 0.000 0.535 1129 I N 1.231 121.674 120.570 -0.212 0.000 2.676 1129 I HA 0.013 4.183 4.170 0.000 0.000 0.259 1129 I C 2.370 178.335 176.117 -0.254 0.000 1.194 1129 I CA 0.450 61.637 61.300 -0.188 0.000 1.473 1129 I CB -0.342 37.582 38.000 -0.126 0.000 1.096 1129 I HN 0.084 nan 8.210 nan 0.000 0.443 1130 I N 0.335 120.725 120.570 -0.300 0.000 2.454 1130 I HA -0.261 3.909 4.170 0.000 0.000 0.254 1130 I C 2.312 177.847 176.117 -0.971 0.000 1.156 1130 I CA 1.260 62.299 61.300 -0.436 0.000 1.433 1130 I CB -0.353 37.496 38.000 -0.252 0.000 1.082 1130 I HN 0.232 nan 8.210 nan 0.000 0.432 1131 M N -0.443 118.657 119.600 -0.832 0.000 2.419 1131 M HA -0.146 4.334 4.480 0.000 0.000 0.264 1131 M C 2.068 178.030 176.300 -0.562 0.000 1.082 1131 M CA 0.683 55.429 55.300 -0.922 0.000 1.119 1131 M CB -0.318 32.060 32.600 -0.370 0.000 1.398 1131 M HN 0.079 nan 8.290 nan 0.000 0.453 1132 K N 1.530 121.701 120.400 -0.382 0.000 2.071 1132 K HA -0.256 4.064 4.320 0.000 0.000 0.217 1132 K C 0.269 176.798 176.600 -0.119 0.000 1.054 1132 K CA 2.410 58.580 56.287 -0.195 0.000 0.937 1132 K CB -0.157 32.255 32.500 -0.147 0.000 0.719 1132 K HN 0.282 nan 8.250 nan 0.000 0.454 1133 D N -0.536 119.787 120.400 -0.129 0.000 2.325 1133 D HA 0.037 4.677 4.640 0.000 0.000 0.225 1133 D C -0.616 175.865 176.300 0.302 0.000 1.096 1133 D CA 0.131 54.163 54.000 0.053 0.000 0.844 1133 D CB 0.067 40.894 40.800 0.045 0.000 0.925 1133 D HN 0.065 nan 8.370 nan 0.000 0.513 1134 F N 1.701 121.674 119.950 0.038 0.000 2.567 1134 F HA 0.250 4.777 4.527 0.000 0.000 0.352 1134 F C 0.495 176.305 175.800 0.016 0.000 1.229 1134 F CA -1.558 56.504 58.000 0.103 0.000 1.228 1134 F CB -0.537 38.440 39.000 -0.038 0.000 1.568 1134 F HN -0.238 nan 8.300 nan 0.000 0.634 1135 S N 2.399 118.201 115.700 0.169 0.000 2.622 1135 S HA 0.436 4.906 4.470 0.000 0.000 0.283 1135 S C -0.892 173.492 174.600 -0.360 0.000 1.197 1135 S CA -0.554 57.613 58.200 -0.054 0.000 1.146 1135 S CB 1.215 64.416 63.200 0.002 0.000 1.007 1135 S HN 0.630 nan 8.310 nan 0.000 0.478 1136 H N 2.874 121.613 119.070 -0.551 0.000 3.086 1136 H HA 0.282 4.838 4.556 0.000 0.000 0.353 1136 H C -2.727 172.378 175.328 -0.371 0.000 1.134 1136 H CA -1.374 54.250 56.048 -0.706 0.000 1.248 1136 H CB 2.519 31.482 29.762 -1.332 0.000 1.878 1136 H HN 0.240 nan 8.280 nan 0.000 0.527 1137 P HA -0.070 nan 4.420 nan 0.000 0.221 1137 P C 0.149 177.369 177.300 -0.133 0.000 1.145 1137 P CA 1.162 64.072 63.100 -0.318 0.000 0.795 1137 P CB 0.295 31.794 31.700 -0.335 0.000 0.775 1138 N N -1.163 117.575 118.700 0.063 0.000 2.238 1138 N HA 0.153 4.893 4.740 0.000 0.000 0.222 1138 N C -0.751 174.780 175.510 0.035 0.000 1.133 1138 N CA -0.159 52.956 53.050 0.107 0.000 0.854 1138 N CB 0.629 39.214 38.487 0.162 0.000 1.041 1138 N HN -0.078 nan 8.380 nan 0.000 0.510 1139 V N 1.297 121.208 119.914 -0.006 0.000 2.709 1139 V HA 0.284 4.404 4.120 0.000 0.000 0.308 1139 V C -0.425 175.641 176.094 -0.046 0.000 1.062 1139 V CA -1.060 61.199 62.300 -0.069 0.000 0.901 1139 V CB 2.238 33.972 31.823 -0.148 0.000 1.003 1139 V HN 0.019 nan 8.190 nan 0.000 0.425 1140 L N 3.711 124.914 121.223 -0.032 0.000 2.453 1140 L HA 0.345 4.686 4.340 0.000 0.000 0.272 1140 L C 0.599 177.477 176.870 0.014 0.000 1.182 1140 L CA 1.272 56.092 54.840 -0.033 0.000 0.858 1140 L CB 1.077 43.099 42.059 -0.062 0.000 1.120 1140 L HN 0.784 nan 8.230 nan 0.000 0.474 1141 S N 3.942 119.630 115.700 -0.019 0.000 2.672 1141 S HA 0.590 5.060 4.470 0.000 0.000 0.276 1141 S C -0.759 173.817 174.600 -0.040 0.000 1.207 1141 S CA -0.547 57.644 58.200 -0.015 0.000 1.002 1141 S CB 1.328 64.507 63.200 -0.034 0.000 0.998 1141 S HN 0.586 nan 8.310 nan 0.000 0.542 1142 L N 2.799 123.992 121.223 -0.051 0.000 2.305 1142 L HA 0.461 4.801 4.340 0.000 0.000 0.284 1142 L C 0.246 177.084 176.870 -0.053 0.000 1.013 1142 L CA 0.022 54.819 54.840 -0.072 0.000 0.819 1142 L CB 0.526 42.522 42.059 -0.105 0.000 1.227 1142 L HN 0.726 nan 8.230 nan 0.000 0.417 1143 L N 4.631 125.827 121.223 -0.046 0.000 2.179 1143 L HA 0.409 4.749 4.340 0.000 0.000 0.208 1143 L C 1.101 177.953 176.870 -0.030 0.000 1.096 1143 L CA 0.811 55.632 54.840 -0.031 0.000 0.779 1143 L CB -0.455 41.592 42.059 -0.020 0.000 0.922 1143 L HN 0.886 nan 8.230 nan 0.000 0.443 1144 G N -0.326 108.451 108.800 -0.039 0.000 2.341 1144 G HA2 0.258 4.218 3.960 0.000 0.000 0.293 1144 G HA3 0.258 4.218 3.960 0.000 0.000 0.293 1144 G C -2.138 172.737 174.900 -0.042 0.000 1.298 1144 G CA -0.433 44.644 45.100 -0.038 0.000 0.868 1144 G HN -0.074 nan 8.290 nan 0.000 0.540 1145 I N -0.611 119.938 120.570 -0.034 0.000 2.436 1145 I HA 0.739 4.909 4.170 0.000 0.000 0.289 1145 I C -0.238 175.881 176.117 0.002 0.000 1.010 1145 I CA -0.986 60.300 61.300 -0.024 0.000 1.098 1145 I CB 1.619 39.591 38.000 -0.047 0.000 1.266 1145 I HN 0.795 nan 8.210 nan 0.000 0.434 1146 C N 8.417 127.732 119.300 0.025 0.000 2.285 1146 C HA 0.557 5.017 4.460 0.000 0.000 0.335 1146 C C -0.387 174.633 174.990 0.049 0.000 1.267 1146 C CA -0.750 58.286 59.018 0.030 0.000 1.762 1146 C CB 0.011 27.768 27.740 0.029 0.000 2.365 1146 C HN 0.721 nan 8.230 nan 0.000 0.527 1147 L N 7.710 128.954 121.223 0.035 0.000 2.268 1147 L HA 0.417 4.757 4.340 0.000 0.000 0.289 1147 L C 0.737 177.629 176.870 0.037 0.000 1.064 1147 L CA 0.538 55.401 54.840 0.039 0.000 0.824 1147 L CB 0.232 42.305 42.059 0.024 0.000 1.202 1147 L HN 0.695 nan 8.230 nan 0.000 0.433 1148 R N 1.412 121.942 120.500 0.049 0.000 2.438 1148 R HA 0.059 4.399 4.340 0.000 0.000 0.287 1148 R C 1.018 177.334 176.300 0.026 0.000 1.077 1148 R CA -0.138 55.987 56.100 0.042 0.000 1.034 1148 R CB 0.979 31.312 30.300 0.056 0.000 0.993 1148 R HN 0.479 nan 8.270 nan 0.000 0.459 1149 S N 2.013 117.723 115.700 0.017 0.000 2.607 1149 S HA -0.045 4.425 4.470 0.000 0.000 0.224 1149 S C 0.649 175.251 174.600 0.003 0.000 0.969 1149 S CA 0.781 58.986 58.200 0.008 0.000 0.927 1149 S CB 0.267 63.469 63.200 0.005 0.000 0.772 1149 S HN 0.542 nan 8.310 nan 0.000 0.533 1150 E N 0.163 120.365 120.200 0.003 0.000 2.068 1150 E HA 0.400 4.750 4.350 0.000 0.000 0.201 1150 E C 1.482 178.079 176.600 -0.005 0.000 0.947 1150 E CA 0.559 56.953 56.400 -0.009 0.000 0.909 1150 E CB -0.416 29.270 29.700 -0.024 0.000 1.015 1150 E HN 0.366 nan 8.360 nan 0.000 0.484 1151 G N 0.077 108.878 108.800 0.002 0.000 3.324 1151 G HA2 0.192 4.152 3.960 0.000 0.000 0.188 1151 G HA3 0.192 4.152 3.960 0.000 0.000 0.188 1151 G C -0.537 174.373 174.900 0.016 0.000 1.384 1151 G CA -0.042 45.060 45.100 0.003 0.000 0.841 1151 G HN 0.219 nan 8.290 nan 0.000 0.758 1152 S N 2.703 118.408 115.700 0.008 0.000 2.563 1152 S HA 0.302 4.772 4.470 0.000 0.000 0.294 1152 S C -1.858 172.777 174.600 0.058 0.000 1.279 1152 S CA -0.706 57.488 58.200 -0.009 0.000 1.069 1152 S CB 0.435 63.593 63.200 -0.070 0.000 0.828 1152 S HN 0.292 nan 8.310 nan 0.000 0.497 1153 P HA 0.257 nan 4.420 nan 0.000 0.272 1153 P C -0.985 176.516 177.300 0.334 0.000 1.230 1153 P CA -0.326 62.898 63.100 0.206 0.000 0.788 1153 P CB 0.357 32.200 31.700 0.238 0.000 0.949 1154 L N 1.303 122.674 121.223 0.248 0.000 2.313 1154 L HA 0.397 4.737 4.340 0.000 0.000 0.283 1154 L C -0.111 176.853 176.870 0.157 0.000 1.013 1154 L CA -1.192 53.794 54.840 0.242 0.000 0.816 1154 L CB 1.953 44.096 42.059 0.139 0.000 1.236 1154 L HN 0.054 nan 8.230 nan 0.000 0.419 1155 V N 4.448 124.452 119.914 0.149 0.000 2.383 1155 V HA 0.260 4.381 4.120 0.000 0.000 0.275 1155 V C 0.118 176.212 176.094 -0.002 0.000 1.036 1155 V CA -0.505 61.778 62.300 -0.027 0.000 0.889 1155 V CB 1.764 33.452 31.823 -0.226 0.000 0.985 1155 V HN 0.418 nan 8.190 nan 0.000 0.459 1156 V N 7.419 127.318 119.914 -0.025 0.000 2.347 1156 V HA 0.503 4.623 4.120 0.000 0.000 0.280 1156 V C -0.104 175.967 176.094 -0.038 0.000 1.021 1156 V CA -0.375 61.914 62.300 -0.019 0.000 0.847 1156 V CB 1.234 33.051 31.823 -0.010 0.000 0.990 1156 V HN 0.614 nan 8.190 nan 0.000 0.444 1157 L N 6.722 127.922 121.223 -0.038 0.000 2.354 1157 L HA 0.605 4.945 4.340 0.000 0.000 0.269 1157 L C -2.432 174.415 176.870 -0.038 0.000 1.005 1157 L CA -2.184 52.622 54.840 -0.055 0.000 0.819 1157 L CB 2.819 44.823 42.059 -0.091 0.000 1.311 1157 L HN 0.362 nan 8.230 nan 0.000 0.423 1158 P HA -0.083 nan 4.420 nan 0.000 0.268 1158 P C -1.066 176.207 177.300 -0.046 0.000 1.205 1158 P CA 0.015 63.098 63.100 -0.028 0.000 0.771 1158 P CB 0.336 32.010 31.700 -0.044 0.000 0.858 1159 Y N 3.710 123.902 120.300 -0.180 0.000 2.442 1159 Y HA 0.135 4.685 4.550 -0.000 0.000 0.330 1159 Y C 0.318 176.085 175.900 -0.222 0.000 1.129 1159 Y CA 0.143 58.073 58.100 -0.282 0.000 1.365 1159 Y CB 0.350 38.463 38.460 -0.578 0.000 1.233 1159 Y HN 0.212 nan 8.280 nan 0.000 0.529 1160 M N 7.704 126.809 119.600 -0.824 0.000 2.103 1160 M HA 0.152 4.633 4.480 0.000 0.000 0.350 1160 M C 1.090 176.807 176.300 -0.970 0.000 1.100 1160 M CA -0.257 54.646 55.300 -0.662 0.000 1.042 1160 M CB 1.159 33.529 32.600 -0.384 0.000 1.368 1160 M HN 0.818 nan 8.290 nan 0.000 0.404 1161 K N 1.830 121.734 120.400 -0.827 0.000 2.113 1161 K HA -0.180 4.140 4.320 0.000 0.000 0.208 1161 K C 1.003 177.250 176.600 -0.589 0.000 1.047 1161 K CA 1.585 57.474 56.287 -0.664 0.000 0.928 1161 K CB 0.247 32.434 32.500 -0.522 0.000 0.716 1161 K HN 0.606 nan 8.250 nan 0.000 0.446 1162 H N -0.718 118.223 119.070 -0.216 0.000 2.529 1162 H HA 0.149 4.706 4.556 0.000 0.000 0.277 1162 H C 1.212 176.540 175.328 0.001 0.000 1.004 1162 H CA 0.563 56.583 56.048 -0.047 0.000 1.167 1162 H CB 0.382 30.059 29.762 -0.141 0.000 1.445 1162 H HN 0.483 nan 8.280 nan 0.000 0.554 1163 G N 2.080 110.847 108.800 -0.056 0.000 2.566 1163 G HA2 -0.289 3.671 3.960 0.000 0.000 0.280 1163 G HA3 -0.289 3.671 3.960 0.000 0.000 0.280 1163 G C 0.013 174.937 174.900 0.041 0.000 1.225 1163 G CA 0.147 45.248 45.100 0.003 0.000 0.966 1163 G HN 0.530 nan 8.290 nan 0.000 0.560 1164 D N 0.549 121.020 120.400 0.119 0.000 2.313 1164 D HA 0.308 4.948 4.640 0.000 0.000 0.247 1164 D C 1.633 177.988 176.300 0.090 0.000 1.094 1164 D CA -0.247 53.827 54.000 0.122 0.000 0.925 1164 D CB 1.726 42.624 40.800 0.164 0.000 1.188 1164 D HN 0.455 nan 8.370 nan 0.000 0.430 1165 L N 2.196 123.436 121.223 0.028 0.000 2.083 1165 L HA -0.141 4.199 4.340 0.000 0.000 0.209 1165 L C 2.667 179.599 176.870 0.104 0.000 1.083 1165 L CA 1.570 56.402 54.840 -0.013 0.000 0.752 1165 L CB -0.732 41.270 42.059 -0.095 0.000 0.899 1165 L HN 0.572 nan 8.230 nan 0.000 0.433 1166 R N -0.822 119.742 120.500 0.106 0.000 2.066 1166 R HA -0.147 4.193 4.340 0.000 0.000 0.232 1166 R C 1.995 178.370 176.300 0.125 0.000 1.131 1166 R CA 1.591 57.761 56.100 0.118 0.000 0.955 1166 R CB -0.182 30.182 30.300 0.106 0.000 0.851 1166 R HN 0.436 nan 8.270 nan 0.000 0.432 1167 N N 0.162 118.937 118.700 0.125 0.000 2.244 1167 N HA -0.169 4.571 4.740 0.000 0.000 0.183 1167 N C 1.472 177.083 175.510 0.168 0.000 1.016 1167 N CA 0.998 54.119 53.050 0.118 0.000 0.866 1167 N CB -0.369 38.178 38.487 0.099 0.000 0.980 1167 N HN 0.191 nan 8.380 nan 0.000 0.430 1168 F N 2.436 122.447 119.950 0.102 0.000 2.075 1168 F HA -0.120 4.407 4.527 0.000 0.000 0.297 1168 F C 2.184 178.126 175.800 0.237 0.000 1.113 1168 F CA 1.264 59.376 58.000 0.188 0.000 1.218 1168 F CB -0.244 38.793 39.000 0.062 0.000 0.984 1168 F HN -0.002 nan 8.300 nan 0.000 0.472 1169 I N -1.418 119.295 120.570 0.238 0.000 2.546 1169 I HA -0.105 4.065 4.170 0.000 0.000 0.255 1169 I C 2.225 178.362 176.117 0.033 0.000 1.163 1169 I CA 1.079 62.460 61.300 0.135 0.000 1.457 1169 I CB -0.640 37.475 38.000 0.193 0.000 1.092 1169 I HN 0.069 nan 8.210 nan 0.000 0.434 1170 R N 1.354 121.874 120.500 0.032 0.000 2.115 1170 R HA 0.010 4.350 4.340 0.000 0.000 0.226 1170 R C 0.853 177.121 176.300 -0.055 0.000 1.100 1170 R CA 0.250 56.351 56.100 0.002 0.000 0.980 1170 R CB -0.421 29.896 30.300 0.028 0.000 0.875 1170 R HN 0.389 nan 8.270 nan 0.000 0.445 1171 N N 2.269 120.892 118.700 -0.128 0.000 2.414 1171 N HA -0.108 4.632 4.740 0.000 0.000 0.268 1171 N C 0.185 175.531 175.510 -0.274 0.000 1.286 1171 N CA 0.640 53.518 53.050 -0.287 0.000 0.896 1171 N CB 0.781 38.890 38.487 -0.630 0.000 1.093 1171 N HN 0.226 nan 8.380 nan 0.000 0.480 1172 E N 1.116 121.208 120.200 -0.180 0.000 2.418 1172 E HA -0.102 4.248 4.350 0.000 0.000 0.197 1172 E C 1.099 177.629 176.600 -0.117 0.000 1.026 1172 E CA 0.951 57.286 56.400 -0.109 0.000 0.862 1172 E CB 0.153 29.819 29.700 -0.057 0.000 0.799 1172 E HN 0.754 nan 8.360 nan 0.000 0.518 1173 T N -2.303 112.127 114.554 -0.205 0.000 3.113 1173 T HA -0.032 4.319 4.350 0.000 0.000 0.256 1173 T C 0.549 175.216 174.700 -0.055 0.000 1.131 1173 T CA 0.111 62.129 62.100 -0.137 0.000 1.074 1173 T CB -0.247 68.537 68.868 -0.141 0.000 0.944 1173 T HN 0.133 nan 8.240 nan 0.000 0.516 1174 H N 1.506 120.498 119.070 -0.130 0.000 2.487 1174 H HA 0.440 4.996 4.556 -0.000 0.000 0.333 1174 H C -0.133 175.130 175.328 -0.108 0.000 1.114 1174 H CA -1.086 54.849 56.048 -0.187 0.000 1.310 1174 H CB 0.684 30.180 29.762 -0.443 0.000 1.462 1174 H HN 0.147 nan 8.280 nan 0.000 0.516 1175 N N 4.379 123.122 118.700 0.072 0.000 2.886 1175 N HA 0.135 4.875 4.740 0.000 0.000 0.285 1175 N C -2.672 172.878 175.510 0.068 0.000 1.706 1175 N CA -1.121 51.982 53.050 0.089 0.000 0.904 1175 N CB 1.205 39.766 38.487 0.123 0.000 1.224 1175 N HN 0.528 nan 8.380 nan 0.000 0.488 1176 P HA 0.125 nan 4.420 nan 0.000 0.274 1176 P C 0.284 177.461 177.300 -0.206 0.000 1.231 1176 P CA 0.022 63.072 63.100 -0.083 0.000 0.790 1176 P CB 1.023 32.718 31.700 -0.010 0.000 0.951 1177 T N -2.234 112.129 114.554 -0.318 0.000 2.923 1177 T HA 0.247 4.597 4.350 0.000 0.000 0.281 1177 T C 1.409 175.903 174.700 -0.344 0.000 0.995 1177 T CA -0.749 61.087 62.100 -0.439 0.000 0.985 1177 T CB 0.298 68.843 68.868 -0.538 0.000 1.114 1177 T HN 0.035 nan 8.240 nan 0.000 0.548 1178 V N 1.026 120.729 119.914 -0.350 0.000 2.287 1178 V HA -0.163 3.957 4.120 0.000 0.000 0.248 1178 V C 2.888 178.719 176.094 -0.439 0.000 1.053 1178 V CA 2.269 64.316 62.300 -0.422 0.000 1.027 1178 V CB -0.897 30.579 31.823 -0.580 0.000 0.646 1178 V HN 0.990 nan 8.190 nan 0.000 0.447 1179 K N -0.302 119.865 120.400 -0.390 0.000 2.074 1179 K HA -0.257 4.063 4.320 0.000 0.000 0.209 1179 K C 1.881 178.398 176.600 -0.139 0.000 1.048 1179 K CA 2.100 58.245 56.287 -0.235 0.000 0.926 1179 K CB -0.245 32.114 32.500 -0.235 0.000 0.713 1179 K HN 0.469 nan 8.250 nan 0.000 0.444 1180 D N 0.597 120.828 120.400 -0.281 0.000 2.097 1180 D HA -0.145 4.495 4.640 0.000 0.000 0.195 1180 D C 1.966 177.855 176.300 -0.686 0.000 0.989 1180 D CA 1.087 54.793 54.000 -0.490 0.000 0.827 1180 D CB -0.130 40.398 40.800 -0.452 0.000 0.966 1180 D HN 0.230 nan 8.370 nan 0.000 0.456 1181 L N 0.333 121.347 121.223 -0.347 0.000 2.093 1181 L HA -0.057 4.283 4.340 0.000 0.000 0.208 1181 L C 2.516 179.340 176.870 -0.075 0.000 1.085 1181 L CA 0.602 55.361 54.840 -0.136 0.000 0.755 1181 L CB -0.259 41.770 42.059 -0.049 0.000 0.904 1181 L HN 0.004 nan 8.230 nan 0.000 0.435 1182 I N -0.007 120.512 120.570 -0.085 0.000 2.315 1182 I HA -0.179 3.991 4.170 0.000 0.000 0.248 1182 I C 2.663 178.806 176.117 0.043 0.000 1.117 1182 I CA 1.276 62.591 61.300 0.025 0.000 1.404 1182 I CB -0.933 37.099 38.000 0.054 0.000 1.071 1182 I HN 0.286 nan 8.210 nan 0.000 0.419 1183 G N 1.371 110.169 108.800 -0.002 0.000 2.491 1183 G HA2 -0.268 3.692 3.960 0.000 0.000 0.218 1183 G HA3 -0.268 3.692 3.960 0.000 0.000 0.218 1183 G C 1.416 176.222 174.900 -0.157 0.000 1.180 1183 G CA 0.719 45.673 45.100 -0.243 0.000 0.774 1183 G HN 0.184 nan 8.290 nan 0.000 0.562 1184 F N 1.727 121.669 119.950 -0.014 0.000 2.095 1184 F HA 0.028 4.555 4.527 0.000 0.000 0.298 1184 F C 2.932 178.752 175.800 0.034 0.000 1.104 1184 F CA 0.499 58.497 58.000 -0.002 0.000 1.232 1184 F CB -1.194 37.812 39.000 0.010 0.000 0.987 1184 F HN 0.184 nan 8.300 nan 0.000 0.475 1185 G N 0.115 109.045 108.800 0.217 0.000 2.440 1185 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 1185 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 1185 G C 1.727 176.814 174.900 0.310 0.000 1.154 1185 G CA 0.996 46.226 45.100 0.217 0.000 0.767 1185 G HN 0.323 nan 8.290 nan 0.000 0.552 1186 L N 0.530 121.839 121.223 0.143 0.000 2.017 1186 L HA -0.046 4.294 4.340 0.000 0.000 0.208 1186 L C 2.893 179.788 176.870 0.041 0.000 1.073 1186 L CA 1.985 56.858 54.840 0.054 0.000 0.745 1186 L CB -0.851 41.112 42.059 -0.160 0.000 0.894 1186 L HN 0.348 nan 8.230 nan 0.000 0.432 1187 Q N -1.214 118.609 119.800 0.037 0.000 2.124 1187 Q HA -0.179 4.161 4.340 0.000 0.000 0.202 1187 Q C 2.161 178.202 176.000 0.068 0.000 0.977 1187 Q CA 1.853 57.684 55.803 0.048 0.000 0.850 1187 Q CB -0.302 28.481 28.738 0.075 0.000 0.901 1187 Q HN 0.473 nan 8.270 nan 0.000 0.429 1188 V N 0.981 120.978 119.914 0.138 0.000 2.343 1188 V HA -0.269 3.851 4.120 0.000 0.000 0.247 1188 V C 2.300 178.405 176.094 0.017 0.000 1.051 1188 V CA 1.785 64.172 62.300 0.146 0.000 1.036 1188 V CB -0.984 31.032 31.823 0.322 0.000 0.654 1188 V HN 0.387 nan 8.190 nan 0.000 0.451 1189 A N -0.256 122.585 122.820 0.036 0.000 1.902 1189 A HA -0.245 4.075 4.320 0.000 0.000 0.217 1189 A C 2.303 179.769 177.584 -0.196 0.000 1.181 1189 A CA 1.995 53.884 52.037 -0.246 0.000 0.623 1189 A CB -0.436 18.479 19.000 -0.141 0.000 0.818 1189 A HN 0.542 nan 8.150 nan 0.000 0.443 1190 K N -0.879 119.472 120.400 -0.082 0.000 2.026 1190 K HA -0.111 4.209 4.320 0.000 0.000 0.208 1190 K C 2.165 178.641 176.600 -0.207 0.000 1.048 1190 K CA 1.158 57.415 56.287 -0.050 0.000 0.929 1190 K CB -0.479 32.064 32.500 0.071 0.000 0.713 1190 K HN 0.474 nan 8.250 nan 0.000 0.439 1191 G N 1.166 109.841 108.800 -0.207 0.000 2.418 1191 G HA2 -0.232 3.728 3.960 0.000 0.000 0.217 1191 G HA3 -0.232 3.728 3.960 0.000 0.000 0.217 1191 G C 1.449 176.137 174.900 -0.353 0.000 1.158 1191 G CA 0.616 45.524 45.100 -0.319 0.000 0.771 1191 G HN 0.066 nan 8.290 nan 0.000 0.545 1192 M N 0.512 119.831 119.600 -0.469 0.000 2.229 1192 M HA 0.064 4.544 4.480 0.000 0.000 0.264 1192 M C 2.266 178.185 176.300 -0.635 0.000 1.063 1192 M CA 0.958 55.783 55.300 -0.791 0.000 1.114 1192 M CB -0.839 30.736 32.600 -1.707 0.000 1.387 1192 M HN 0.294 nan 8.290 nan 0.000 0.420 1193 K N -0.326 119.843 120.400 -0.386 0.000 2.057 1193 K HA -0.203 4.117 4.320 0.000 0.000 0.207 1193 K C 2.042 178.578 176.600 -0.106 0.000 1.049 1193 K CA 1.341 57.556 56.287 -0.121 0.000 0.931 1193 K CB -0.248 32.225 32.500 -0.046 0.000 0.714 1193 K HN 0.192 nan 8.250 nan 0.000 0.440 1194 F N 1.660 121.397 119.950 -0.354 0.000 2.113 1194 F HA -0.136 4.391 4.527 0.000 0.000 0.297 1194 F C 1.734 177.394 175.800 -0.234 0.000 1.103 1194 F CA 1.268 59.066 58.000 -0.337 0.000 1.248 1194 F CB -0.217 38.373 39.000 -0.683 0.000 0.999 1194 F HN -0.055 nan 8.300 nan 0.000 0.475 1195 L N 0.145 121.199 121.223 -0.281 0.000 2.046 1195 L HA -0.195 4.145 4.340 0.000 0.000 0.208 1195 L C 2.817 179.608 176.870 -0.132 0.000 1.077 1195 L CA 1.224 55.904 54.840 -0.265 0.000 0.747 1195 L CB -1.258 40.723 42.059 -0.129 0.000 0.896 1195 L HN 0.271 nan 8.230 nan 0.000 0.432 1196 A N 0.038 122.802 122.820 -0.094 0.000 1.972 1196 A HA -0.201 4.119 4.320 0.000 0.000 0.219 1196 A C 2.502 180.065 177.584 -0.035 0.000 1.169 1196 A CA 1.830 53.871 52.037 0.007 0.000 0.635 1196 A CB -0.604 18.468 19.000 0.120 0.000 0.810 1196 A HN 0.533 nan 8.150 nan 0.000 0.446 1197 S N -0.801 114.830 115.700 -0.115 0.000 2.453 1197 S HA -0.033 4.437 4.470 0.000 0.000 0.231 1197 S C 1.406 175.920 174.600 -0.145 0.000 1.005 1197 S CA 1.047 59.176 58.200 -0.118 0.000 0.949 1197 S CB -0.086 63.033 63.200 -0.134 0.000 0.774 1197 S HN 0.410 nan 8.310 nan 0.000 0.510 1198 K N 0.961 121.239 120.400 -0.204 0.000 2.387 1198 K HA 0.209 4.529 4.320 0.000 0.000 0.198 1198 K C -0.066 176.535 176.600 0.001 0.000 1.022 1198 K CA -0.027 56.177 56.287 -0.138 0.000 1.128 1198 K CB 0.104 32.464 32.500 -0.234 0.000 0.853 1198 K HN 0.269 nan 8.250 nan 0.000 0.523 1199 K N 0.162 120.570 120.400 0.013 0.000 3.129 1199 K HA -0.216 4.104 4.320 0.000 0.000 0.273 1199 K C -0.242 176.418 176.600 0.100 0.000 1.123 1199 K CA 0.491 56.806 56.287 0.048 0.000 0.800 1199 K CB -2.532 29.988 32.500 0.034 0.000 1.238 1199 K HN 0.193 nan 8.250 nan 0.000 0.492 1200 F N 0.921 120.859 119.950 -0.020 0.000 2.411 1200 F HA 0.320 4.846 4.527 -0.000 0.000 0.355 1200 F C 0.334 176.150 175.800 0.027 0.000 1.117 1200 F CA -0.831 57.178 58.000 0.016 0.000 1.139 1200 F CB 0.985 40.004 39.000 0.031 0.000 1.120 1200 F HN -0.136 nan 8.300 nan 0.000 0.493 1201 V N 7.398 126.947 119.914 -0.608 0.000 2.350 1201 V HA 0.077 4.197 4.120 0.000 0.000 0.276 1201 V C 1.159 176.910 176.094 -0.572 0.000 1.028 1201 V CA -0.412 61.677 62.300 -0.353 0.000 0.860 1201 V CB 0.855 32.588 31.823 -0.151 0.000 0.990 1201 V HN 0.862 nan 8.190 nan 0.000 0.453 1202 H N 5.190 124.102 119.070 -0.263 0.000 2.293 1202 H HA -0.073 4.483 4.556 0.000 0.000 0.300 1202 H C 1.700 176.950 175.328 -0.131 0.000 1.082 1202 H CA 2.384 58.366 56.048 -0.109 0.000 1.308 1202 H CB 0.393 30.197 29.762 0.070 0.000 1.375 1202 H HN 0.751 nan 8.280 nan 0.000 0.495 1203 R N -1.297 119.270 120.500 0.111 0.000 3.606 1203 R HA -0.183 4.157 4.340 0.000 0.000 0.439 1203 R C -0.170 176.142 176.300 0.021 0.000 0.585 1203 R CA 1.455 57.483 56.100 -0.120 0.000 1.521 1203 R CB -1.386 28.593 30.300 -0.534 0.000 2.112 1203 R HN 0.356 nan 8.270 nan 0.000 0.375 1204 D N 0.252 120.833 120.400 0.301 0.000 2.992 1204 D HA 0.170 4.810 4.640 0.000 0.000 0.372 1204 D C -1.162 175.164 176.300 0.044 0.000 1.374 1204 D CA -0.443 53.664 54.000 0.180 0.000 0.769 1204 D CB 0.441 41.297 40.800 0.095 0.000 1.215 1204 D HN 0.071 nan 8.370 nan 0.000 0.473 1205 L N 1.614 122.763 121.223 -0.123 0.000 2.433 1205 L HA 0.625 4.965 4.340 0.000 0.000 0.275 1205 L C -0.528 176.291 176.870 -0.084 0.000 1.128 1205 L CA 0.330 54.973 54.840 -0.329 0.000 0.875 1205 L CB 0.261 42.221 42.059 -0.164 0.000 1.171 1205 L HN 0.220 nan 8.230 nan 0.000 0.463 1206 A N 3.981 126.709 122.820 -0.153 0.000 2.612 1206 A HA 0.707 5.027 4.320 0.000 0.000 0.293 1206 A C 0.516 178.086 177.584 -0.023 0.000 1.075 1206 A CA -0.174 51.753 52.037 -0.183 0.000 0.680 1206 A CB 0.643 19.165 19.000 -0.798 0.000 1.279 1206 A HN 0.998 nan 8.150 nan 0.000 0.411 1207 A N 0.593 123.472 122.820 0.099 0.000 2.024 1207 A HA -0.144 4.176 4.320 0.000 0.000 0.220 1207 A C 1.929 179.550 177.584 0.061 0.000 1.164 1207 A CA 1.972 54.068 52.037 0.097 0.000 0.643 1207 A CB -0.601 18.488 19.000 0.148 0.000 0.806 1207 A HN 1.048 nan 8.150 nan 0.000 0.451 1208 R N -1.000 119.511 120.500 0.018 0.000 2.189 1208 R HA -0.008 4.332 4.340 0.000 0.000 0.223 1208 R C 0.664 177.040 176.300 0.127 0.000 1.092 1208 R CA 1.539 57.649 56.100 0.018 0.000 0.989 1208 R CB -0.363 29.892 30.300 -0.076 0.000 0.876 1208 R HN 0.315 nan 8.270 nan 0.000 0.457 1209 N N -0.113 118.658 118.700 0.117 0.000 2.236 1209 N HA 0.101 4.841 4.740 0.000 0.000 0.196 1209 N C -0.836 174.748 175.510 0.124 0.000 1.114 1209 N CA -0.019 53.152 53.050 0.201 0.000 0.859 1209 N CB 0.595 39.179 38.487 0.163 0.000 0.982 1209 N HN 0.142 nan 8.380 nan 0.000 0.493 1210 C N 2.100 121.448 119.300 0.079 0.000 2.295 1210 C HA 0.507 4.967 4.460 0.000 0.000 0.331 1210 C C 0.224 175.214 174.990 0.001 0.000 1.280 1210 C CA -0.911 58.123 59.018 0.025 0.000 1.746 1210 C CB 0.182 27.929 27.740 0.011 0.000 2.328 1210 C HN 0.181 nan 8.230 nan 0.000 0.521 1211 M N 3.561 123.133 119.600 -0.046 0.000 2.367 1211 M HA 0.547 5.027 4.480 0.000 0.000 0.339 1211 M C -0.603 175.607 176.300 -0.149 0.000 1.177 1211 M CA -0.829 54.418 55.300 -0.089 0.000 1.068 1211 M CB 1.099 33.624 32.600 -0.125 0.000 1.602 1211 M HN 0.448 nan 8.290 nan 0.000 0.457 1212 L N 3.464 124.574 121.223 -0.188 0.000 2.349 1212 L HA 0.444 4.784 4.340 0.000 0.000 0.278 1212 L C -0.470 176.268 176.870 -0.220 0.000 0.996 1212 L CA -0.286 54.402 54.840 -0.254 0.000 0.825 1212 L CB 1.132 42.926 42.059 -0.442 0.000 1.243 1212 L HN 0.756 nan 8.230 nan 0.000 0.412 1213 D N 2.972 123.247 120.400 -0.209 0.000 2.529 1213 D HA 0.133 4.774 4.640 0.000 0.000 0.273 1213 D C 0.805 176.964 176.300 -0.235 0.000 1.197 1213 D CA -0.168 53.696 54.000 -0.226 0.000 1.070 1213 D CB 0.431 41.121 40.800 -0.184 0.000 1.134 1213 D HN 0.570 nan 8.370 nan 0.000 0.590 1214 E N 0.422 120.472 120.200 -0.251 0.000 2.209 1214 E HA -0.251 4.099 4.350 0.000 0.000 0.196 1214 E C 0.850 177.221 176.600 -0.381 0.000 0.993 1214 E CA 1.261 57.498 56.400 -0.273 0.000 0.819 1214 E CB -0.361 29.246 29.700 -0.155 0.000 0.745 1214 E HN 0.492 nan 8.360 nan 0.000 0.477 1215 K N -0.415 119.833 120.400 -0.254 0.000 2.387 1215 K HA 0.169 4.489 4.320 0.000 0.000 0.198 1215 K C -0.542 176.065 176.600 0.011 0.000 1.022 1215 K CA -0.025 56.202 56.287 -0.099 0.000 1.128 1215 K CB -0.155 32.331 32.500 -0.023 0.000 0.853 1215 K HN -0.014 nan 8.250 nan 0.000 0.523 1216 F N -0.346 119.602 119.950 -0.003 0.000 3.043 1216 F HA -0.264 4.263 4.527 0.000 0.000 0.290 1216 F C -0.348 175.453 175.800 0.001 0.000 0.844 1216 F CA 0.422 58.393 58.000 -0.049 0.000 1.184 1216 F CB -2.798 36.209 39.000 0.013 0.000 1.246 1216 F HN -0.140 nan 8.300 nan 0.000 0.536 1217 T N 1.120 115.697 114.554 0.038 0.000 2.771 1217 T HA 0.565 4.915 4.350 0.000 0.000 0.291 1217 T C 0.447 175.124 174.700 -0.038 0.000 0.954 1217 T CA -0.545 61.565 62.100 0.017 0.000 1.045 1217 T CB 1.562 70.415 68.868 -0.025 0.000 0.917 1217 T HN 0.036 nan 8.240 nan 0.000 0.484 1218 V N 5.470 125.378 119.914 -0.010 0.000 2.530 1218 V HA 0.265 4.385 4.120 0.000 0.000 0.282 1218 V C 0.402 176.471 176.094 -0.043 0.000 1.048 1218 V CA -0.362 61.908 62.300 -0.051 0.000 0.997 1218 V CB 0.516 32.339 31.823 0.000 0.000 0.987 1218 V HN 0.683 nan 8.190 nan 0.000 0.477 1219 K N 4.193 124.554 120.400 -0.066 0.000 2.425 1219 K HA 0.442 4.762 4.320 0.000 0.000 0.259 1219 K C -0.887 175.688 176.600 -0.042 0.000 0.978 1219 K CA -0.691 55.561 56.287 -0.058 0.000 0.883 1219 K CB 2.056 34.507 32.500 -0.083 0.000 1.110 1219 K HN 0.416 nan 8.250 nan 0.000 0.436 1220 V N 2.649 122.548 119.914 -0.026 0.000 2.529 1220 V HA 0.218 4.338 4.120 0.000 0.000 0.292 1220 V C 0.533 176.648 176.094 0.036 0.000 1.028 1220 V CA 0.304 62.609 62.300 0.008 0.000 1.074 1220 V CB 0.630 32.449 31.823 -0.007 0.000 0.958 1220 V HN 0.948 nan 8.190 nan 0.000 0.481 1221 A N 4.341 127.218 122.820 0.096 0.000 2.525 1221 A HA 0.841 5.161 4.320 0.000 0.000 0.291 1221 A C -1.222 176.476 177.584 0.190 0.000 1.268 1221 A CA -0.509 51.569 52.037 0.068 0.000 0.712 1221 A CB 1.909 20.857 19.000 -0.088 0.000 1.320 1221 A HN 0.612 nan 8.150 nan 0.000 0.456 1222 D N -1.121 119.311 120.400 0.052 0.000 2.616 1222 D HA 0.441 5.081 4.640 0.000 0.000 0.238 1222 D C -0.303 176.014 176.300 0.028 0.000 1.354 1222 D CA -0.386 53.673 54.000 0.098 0.000 0.970 1222 D CB 0.852 41.660 40.800 0.013 0.000 1.369 1222 D HN 0.221 nan 8.370 nan 0.000 0.585 1223 F N 2.306 122.283 119.950 0.046 0.000 2.102 1223 F HA 0.172 4.699 4.527 -0.000 0.000 0.298 1223 F C 1.838 177.667 175.800 0.049 0.000 1.105 1223 F CA 2.002 60.023 58.000 0.035 0.000 1.239 1223 F CB 0.255 39.269 39.000 0.023 0.000 0.991 1223 F HN 0.561 nan 8.300 nan 0.000 0.474 1240 K N 0.776 121.191 120.400 0.024 0.000 2.108 1240 K HA 0.143 4.463 4.320 0.000 0.000 0.204 1240 K C 0.765 177.379 176.600 0.023 0.000 1.036 1240 K CA 1.123 57.424 56.287 0.023 0.000 0.965 1240 K CB 0.196 32.705 32.500 0.016 0.000 0.804 1240 K HN 0.356 nan 8.250 nan 0.000 0.454 1241 T N -0.266 114.303 114.554 0.024 0.000 3.043 1241 T HA 0.258 4.608 4.350 0.000 0.000 0.272 1241 T C 0.189 174.912 174.700 0.039 0.000 0.990 1241 T CA -0.129 61.986 62.100 0.026 0.000 0.897 1241 T CB 0.345 69.225 68.868 0.020 0.000 1.111 1241 T HN 0.314 nan 8.240 nan 0.000 0.529 1242 G N 1.203 110.026 108.800 0.038 0.000 2.442 1242 G HA2 0.549 4.509 3.960 0.000 0.000 0.249 1242 G HA3 0.549 4.509 3.960 0.000 0.000 0.249 1242 G C -0.095 174.834 174.900 0.048 0.000 1.263 1242 G CA -0.135 44.990 45.100 0.042 0.000 0.846 1242 G HN 0.507 nan 8.290 nan 0.000 0.555 1243 A N 1.998 124.851 122.820 0.055 0.000 2.289 1243 A HA 0.704 5.024 4.320 0.000 0.000 0.298 1243 A C 0.703 178.315 177.584 0.048 0.000 1.208 1243 A CA -0.495 51.579 52.037 0.061 0.000 0.845 1243 A CB 0.847 19.895 19.000 0.079 0.000 1.125 1243 A HN 0.758 nan 8.150 nan 0.000 0.517 1244 K N 1.765 122.194 120.400 0.049 0.000 2.582 1244 K HA 0.163 4.483 4.320 0.000 0.000 0.191 1244 K C -0.586 176.041 176.600 0.045 0.000 1.593 1244 K CA -0.080 56.226 56.287 0.032 0.000 1.040 1244 K CB 0.163 32.671 32.500 0.012 0.000 1.374 1244 K HN 0.694 nan 8.250 nan 0.000 0.608 1245 L N 3.764 125.031 121.223 0.074 0.000 2.397 1245 L HA 0.207 4.547 4.340 0.000 0.000 0.271 1245 L C -1.807 175.144 176.870 0.135 0.000 1.148 1245 L CA -1.446 53.458 54.840 0.106 0.000 0.825 1245 L CB 0.347 42.491 42.059 0.143 0.000 1.117 1245 L HN -0.081 nan 8.230 nan 0.000 0.456 1246 P HA 0.020 nan 4.420 nan 0.000 0.225 1246 P C 0.987 178.507 177.300 0.367 0.000 1.813 1246 P CA -0.240 63.012 63.100 0.254 0.000 1.013 1246 P CB 0.157 31.946 31.700 0.148 0.000 1.961 1247 V N 0.676 120.739 119.914 0.247 0.000 2.370 1247 V HA -0.299 3.821 4.120 0.000 0.000 0.252 1247 V C 1.896 178.065 176.094 0.125 0.000 1.068 1247 V CA 1.554 63.941 62.300 0.144 0.000 1.061 1247 V CB -1.314 30.540 31.823 0.051 0.000 0.656 1247 V HN 0.158 nan 8.190 nan 0.000 0.455 1248 K N -1.159 119.363 120.400 0.203 0.000 2.442 1248 K HA -0.021 4.299 4.320 0.000 0.000 0.198 1248 K C 1.695 178.275 176.600 -0.034 0.000 1.042 1248 K CA 1.485 57.781 56.287 0.014 0.000 0.958 1248 K CB -0.150 32.288 32.500 -0.105 0.000 0.766 1248 K HN 0.699 nan 8.250 nan 0.000 0.474 1249 W N 0.099 121.534 121.300 0.225 0.000 3.127 1249 W HA 0.259 4.920 4.660 0.000 0.000 0.344 1249 W C 0.156 176.875 176.519 0.332 0.000 1.151 1249 W CA -0.483 57.054 57.345 0.319 0.000 1.765 1249 W CB 0.286 29.905 29.460 0.266 0.000 1.085 1249 W HN -0.009 nan 8.180 nan 0.000 0.596 1250 M N 0.634 120.407 119.600 0.288 0.000 2.249 1250 M HA 0.362 4.842 4.480 0.000 0.000 0.351 1250 M C 0.633 176.560 176.300 -0.622 0.000 1.180 1250 M CA -0.130 55.171 55.300 0.002 0.000 1.127 1250 M CB 1.269 33.884 32.600 0.026 0.000 1.546 1250 M HN -0.243 nan 8.290 nan 0.000 0.461 1251 A N 3.234 125.604 122.820 -0.750 0.000 2.386 1251 A HA 0.255 4.575 4.320 0.000 0.000 0.248 1251 A C 1.015 178.018 177.584 -0.969 0.000 1.082 1251 A CA -0.379 50.874 52.037 -1.308 0.000 0.789 1251 A CB 0.218 18.951 19.000 -0.445 0.000 1.025 1251 A HN 1.053 nan 8.150 nan 0.000 0.490 1252 L N 0.705 121.296 121.223 -1.052 0.000 1.997 1252 L HA -0.257 4.083 4.340 0.000 0.000 0.216 1252 L C 2.888 179.548 176.870 -0.349 0.000 1.074 1252 L CA 2.153 56.672 54.840 -0.535 0.000 0.763 1252 L CB -0.494 41.373 42.059 -0.321 0.000 0.890 1252 L HN 0.991 nan 8.230 nan 0.000 0.434 1253 E N -0.378 119.653 120.200 -0.282 0.000 2.118 1253 E HA -0.204 4.146 4.350 0.000 0.000 0.195 1253 E C 1.991 178.427 176.600 -0.274 0.000 0.992 1253 E CA 1.923 58.195 56.400 -0.213 0.000 0.804 1253 E CB -0.515 29.102 29.700 -0.139 0.000 0.741 1253 E HN 0.424 nan 8.360 nan 0.000 0.458 1254 S N 0.832 116.306 115.700 -0.376 0.000 2.428 1254 S HA 0.072 4.542 4.470 0.000 0.000 0.230 1254 S C 2.106 176.452 174.600 -0.422 0.000 1.014 1254 S CA 0.640 58.516 58.200 -0.540 0.000 0.957 1254 S CB -0.149 62.604 63.200 -0.745 0.000 0.784 1254 S HN 0.183 nan 8.310 nan 0.000 0.499 1255 L N 1.079 122.106 121.223 -0.326 0.000 2.131 1255 L HA -0.067 4.273 4.340 0.000 0.000 0.206 1255 L C 2.656 179.411 176.870 -0.191 0.000 1.087 1255 L CA 1.030 55.731 54.840 -0.231 0.000 0.767 1255 L CB -0.395 41.522 42.059 -0.238 0.000 0.917 1255 L HN 0.293 nan 8.230 nan 0.000 0.441 1256 Q N -0.753 118.930 119.800 -0.195 0.000 1.994 1256 Q HA -0.028 4.312 4.340 0.000 0.000 0.198 1256 Q C 0.603 176.524 176.000 -0.131 0.000 0.976 1256 Q CA 1.222 56.934 55.803 -0.151 0.000 0.828 1256 Q CB -0.106 28.549 28.738 -0.139 0.000 0.894 1256 Q HN 0.423 nan 8.270 nan 0.000 0.432 1257 T N 0.331 114.797 114.554 -0.147 0.000 2.862 1257 T HA 0.212 4.562 4.350 0.000 0.000 0.276 1257 T C 0.121 174.723 174.700 -0.163 0.000 0.974 1257 T CA -0.504 61.520 62.100 -0.127 0.000 0.966 1257 T CB 0.919 69.715 68.868 -0.119 0.000 1.072 1257 T HN -0.012 nan 8.240 nan 0.000 0.538 1258 Q N -0.019 119.705 119.800 -0.126 0.000 2.186 1258 Q HA 0.252 4.592 4.340 0.000 0.000 0.241 1258 Q C -0.209 175.688 176.000 -0.172 0.000 0.849 1258 Q CA -0.128 55.593 55.803 -0.136 0.000 1.053 1258 Q CB 0.248 28.984 28.738 -0.003 0.000 1.146 1258 Q HN 0.455 nan 8.270 nan 0.000 0.475 1259 K N 0.202 120.454 120.400 -0.246 0.000 2.205 1259 K HA 0.386 4.706 4.320 0.000 0.000 0.279 1259 K C -1.205 175.180 176.600 -0.358 0.000 1.027 1259 K CA -0.213 55.979 56.287 -0.158 0.000 0.932 1259 K CB 0.532 32.981 32.500 -0.084 0.000 1.032 1259 K HN -0.141 nan 8.250 nan 0.000 0.466 1260 F N 2.293 122.237 119.950 -0.010 0.000 2.482 1260 F HA 0.373 4.900 4.527 -0.000 0.000 0.331 1260 F C 0.512 176.314 175.800 0.003 0.000 1.115 1260 F CA -0.419 57.582 58.000 0.003 0.000 0.955 1260 F CB 2.192 41.196 39.000 0.006 0.000 1.136 1260 F HN 0.738 nan 8.300 nan 0.000 0.452 1261 T N -2.379 112.273 114.554 0.165 0.000 2.773 1261 T HA 0.316 4.666 4.350 0.000 0.000 0.278 1261 T C 0.701 175.488 174.700 0.146 0.000 1.011 1261 T CA -0.500 61.667 62.100 0.112 0.000 1.014 1261 T CB 1.441 70.346 68.868 0.062 0.000 1.293 1261 T HN 0.390 nan 8.240 nan 0.000 0.554 1262 T N 0.570 115.198 114.554 0.124 0.000 2.904 1262 T HA 0.009 4.359 4.350 0.000 0.000 0.267 1262 T C 1.817 176.605 174.700 0.148 0.000 1.059 1262 T CA 0.730 62.935 62.100 0.176 0.000 1.137 1262 T CB -0.261 68.699 68.868 0.153 0.000 0.879 1262 T HN 0.437 nan 8.240 nan 0.000 0.467 1263 K N 1.725 122.177 120.400 0.087 0.000 2.147 1263 K HA -0.004 4.316 4.320 0.000 0.000 0.205 1263 K C 2.641 179.333 176.600 0.153 0.000 1.049 1263 K CA 1.260 57.587 56.287 0.066 0.000 0.936 1263 K CB -0.546 31.981 32.500 0.044 0.000 0.722 1263 K HN 0.536 nan 8.250 nan 0.000 0.446 1264 S N 0.628 116.436 115.700 0.180 0.000 2.446 1264 S HA -0.057 4.413 4.470 0.000 0.000 0.225 1264 S C 1.439 176.257 174.600 0.363 0.000 1.016 1264 S CA 0.637 58.980 58.200 0.237 0.000 0.943 1264 S CB -0.014 63.261 63.200 0.124 0.000 0.786 1264 S HN 0.088 nan 8.310 nan 0.000 0.508 1265 D N 1.828 122.441 120.400 0.356 0.000 2.178 1265 D HA -0.018 4.622 4.640 0.000 0.000 0.201 1265 D C 2.020 178.627 176.300 0.512 0.000 0.980 1265 D CA 0.783 55.058 54.000 0.458 0.000 0.842 1265 D CB -0.397 40.709 40.800 0.510 0.000 0.948 1265 D HN 0.320 nan 8.370 nan 0.000 0.472 1266 V N 0.721 120.776 119.914 0.235 0.000 2.407 1266 V HA -0.189 3.931 4.120 0.000 0.000 0.248 1266 V C 2.142 178.406 176.094 0.283 0.000 1.055 1266 V CA 1.132 63.423 62.300 -0.016 0.000 1.049 1266 V CB -0.376 31.252 31.823 -0.324 0.000 0.662 1266 V HN 0.385 nan 8.190 nan 0.000 0.455 1267 W N 1.136 122.577 121.300 0.235 0.000 2.354 1267 W HA -0.187 4.474 4.660 0.000 0.000 0.315 1267 W C 2.578 179.382 176.519 0.474 0.000 1.206 1267 W CA 2.072 59.647 57.345 0.384 0.000 1.290 1267 W CB -0.637 29.018 29.460 0.325 0.000 1.152 1267 W HN 0.314 nan 8.180 nan 0.000 0.489 1268 S N 0.823 116.989 115.700 0.777 0.000 2.374 1268 S HA -0.262 4.208 4.470 0.000 0.000 0.227 1268 S C 1.593 176.559 174.600 0.610 0.000 1.037 1268 S CA 1.783 60.411 58.200 0.713 0.000 1.024 1268 S CB -1.120 62.435 63.200 0.592 0.000 0.861 1268 S HN 0.329 nan 8.310 nan 0.000 0.456 1269 F N 2.496 122.695 119.950 0.415 0.000 2.161 1269 F HA -0.052 4.475 4.527 -0.000 0.000 0.300 1269 F C 2.251 178.189 175.800 0.229 0.000 1.089 1269 F CA 1.267 59.469 58.000 0.336 0.000 1.282 1269 F CB -0.955 38.299 39.000 0.423 0.000 1.010 1269 F HN 0.214 nan 8.300 nan 0.000 0.485 1270 G N -0.136 108.714 108.800 0.084 0.000 2.418 1270 G HA2 -0.213 3.747 3.960 0.000 0.000 0.217 1270 G HA3 -0.213 3.747 3.960 0.000 0.000 0.217 1270 G C 1.705 176.701 174.900 0.160 0.000 1.158 1270 G CA 1.242 46.190 45.100 -0.253 0.000 0.771 1270 G HN 0.346 nan 8.290 nan 0.000 0.545 1271 V N 0.840 121.059 119.914 0.509 0.000 2.358 1271 V HA -0.104 4.016 4.120 0.000 0.000 0.246 1271 V C 2.664 178.975 176.094 0.361 0.000 1.047 1271 V CA 1.520 64.057 62.300 0.396 0.000 1.035 1271 V CB -0.513 31.357 31.823 0.078 0.000 0.658 1271 V HN 0.386 nan 8.190 nan 0.000 0.452 1272 L N -0.523 120.898 121.223 0.330 0.000 2.042 1272 L HA -0.189 4.151 4.340 0.000 0.000 0.210 1272 L C 2.337 179.247 176.870 0.067 0.000 1.076 1272 L CA 1.709 56.696 54.840 0.245 0.000 0.749 1272 L CB -0.189 41.965 42.059 0.159 0.000 0.893 1272 L HN 0.242 nan 8.230 nan 0.000 0.432 1273 L N -1.744 119.396 121.223 -0.137 0.000 2.083 1273 L HA -0.258 4.082 4.340 0.000 0.000 0.209 1273 L C 2.329 179.232 176.870 0.055 0.000 1.083 1273 L CA 1.699 56.456 54.840 -0.138 0.000 0.752 1273 L CB -0.691 41.205 42.059 -0.271 0.000 0.899 1273 L HN 0.502 nan 8.230 nan 0.000 0.433 1274 W N 1.413 122.715 121.300 0.003 0.000 2.355 1274 W HA -0.196 4.464 4.660 0.000 0.000 0.309 1274 W C 2.449 178.966 176.519 -0.005 0.000 1.206 1274 W CA 1.687 59.057 57.345 0.043 0.000 1.284 1274 W CB 0.019 29.548 29.460 0.115 0.000 1.145 1274 W HN 0.086 nan 8.180 nan 0.000 0.502 1275 E N 0.129 120.494 120.200 0.275 0.000 2.085 1275 E HA -0.265 4.085 4.350 0.000 0.000 0.194 1275 E C 2.202 178.793 176.600 -0.014 0.000 0.994 1275 E CA 1.686 58.170 56.400 0.140 0.000 0.801 1275 E CB -0.667 29.222 29.700 0.315 0.000 0.743 1275 E HN 0.366 nan 8.360 nan 0.000 0.453 1276 L N 0.289 121.527 121.223 0.026 0.000 2.017 1276 L HA -0.195 4.145 4.340 0.000 0.000 0.208 1276 L C 2.442 179.278 176.870 -0.056 0.000 1.073 1276 L CA 0.807 55.664 54.840 0.028 0.000 0.745 1276 L CB -0.246 41.852 42.059 0.066 0.000 0.894 1276 L HN 0.232 nan 8.230 nan 0.000 0.432 1277 M N -0.852 118.669 119.600 -0.132 0.000 2.476 1277 M HA -0.061 4.419 4.480 0.000 0.000 0.262 1277 M C 2.088 178.235 176.300 -0.255 0.000 1.079 1277 M CA 1.436 56.632 55.300 -0.174 0.000 1.104 1277 M CB -1.506 31.005 32.600 -0.147 0.000 1.409 1277 M HN 0.370 nan 8.290 nan 0.000 0.467 1278 T N -3.372 110.922 114.554 -0.433 0.000 3.086 1278 T HA 0.255 4.605 4.350 0.000 0.000 0.250 1278 T C 0.773 175.303 174.700 -0.283 0.000 1.074 1278 T CA -0.311 61.485 62.100 -0.507 0.000 0.988 1278 T CB 0.001 68.216 68.868 -1.089 0.000 0.988 1278 T HN 0.425 nan 8.240 nan 0.000 0.530 1279 R N 0.623 121.021 120.500 -0.171 0.000 3.531 1279 R HA -0.133 4.207 4.340 0.000 0.000 0.280 1279 R C 0.903 177.175 176.300 -0.047 0.000 1.130 1279 R CA 0.376 56.434 56.100 -0.070 0.000 0.757 1279 R CB -2.275 27.995 30.300 -0.051 0.000 1.218 1279 R HN 0.951 nan 8.270 nan 0.000 0.454 1280 G N -1.566 107.199 108.800 -0.058 0.000 2.165 1280 G HA2 -0.171 3.789 3.960 0.000 0.000 0.226 1280 G HA3 -0.171 3.789 3.960 0.000 0.000 0.226 1280 G C 0.153 175.058 174.900 0.007 0.000 1.035 1280 G CA 0.091 45.203 45.100 0.020 0.000 0.744 1280 G HN 0.804 nan 8.290 nan 0.000 0.501 1281 A N 0.659 123.390 122.820 -0.150 0.000 2.388 1281 A HA 0.732 5.052 4.320 0.000 0.000 0.257 1281 A C -1.202 176.461 177.584 0.132 0.000 1.095 1281 A CA -0.863 51.074 52.037 -0.167 0.000 0.791 1281 A CB 0.429 18.919 19.000 -0.850 0.000 1.029 1281 A HN 0.293 nan 8.150 nan 0.000 0.489 1282 P HA 0.242 nan 4.420 nan 0.000 0.271 1282 P C -2.729 174.703 177.300 0.219 0.000 1.220 1282 P CA -1.200 62.066 63.100 0.276 0.000 0.768 1282 P CB 0.202 32.053 31.700 0.253 0.000 0.848 1283 P HA 0.049 nan 4.420 nan 0.000 0.271 1283 P C -0.551 176.565 177.300 -0.306 0.000 1.218 1283 P CA -0.089 62.642 63.100 -0.615 0.000 0.780 1283 P CB -0.092 31.025 31.700 -0.972 0.000 0.901 1284 Y N 0.151 120.224 120.300 -0.379 0.000 2.982 1284 Y HA -0.183 4.367 4.550 0.000 0.000 0.192 1284 Y C -0.953 174.861 175.900 -0.143 0.000 1.397 1284 Y CA -0.298 57.634 58.100 -0.279 0.000 0.844 1284 Y CB -2.400 35.807 38.460 -0.422 0.000 1.290 1284 Y HN 0.454 nan 8.280 nan 0.000 0.408 1285 P HA -0.188 nan 4.420 nan 0.000 0.217 1285 P C 1.128 178.449 177.300 0.035 0.000 1.150 1285 P CA 2.137 65.302 63.100 0.109 0.000 0.832 1285 P CB 0.209 32.009 31.700 0.166 0.000 0.787 1286 D N -0.078 120.321 120.400 -0.001 0.000 2.312 1286 D HA -0.038 4.602 4.640 0.000 0.000 0.211 1286 D C 0.644 176.899 176.300 -0.076 0.000 0.964 1286 D CA 0.323 54.308 54.000 -0.026 0.000 0.877 1286 D CB -0.969 39.824 40.800 -0.012 0.000 0.924 1286 D HN 0.067 nan 8.370 nan 0.000 0.515 1287 V N 3.089 122.911 119.914 -0.153 0.000 2.406 1287 V HA 0.124 4.244 4.120 0.000 0.000 0.272 1287 V C 0.293 176.309 176.094 -0.131 0.000 1.043 1287 V CA -1.258 60.891 62.300 -0.252 0.000 0.915 1287 V CB 0.791 32.242 31.823 -0.620 0.000 0.988 1287 V HN 0.206 nan 8.190 nan 0.000 0.466 1288 N N 2.758 121.416 118.700 -0.070 0.000 2.483 1288 N HA 0.011 4.752 4.740 0.000 0.000 0.264 1288 N C 0.972 176.486 175.510 0.006 0.000 1.197 1288 N CA -0.037 53.013 53.050 -0.001 0.000 0.927 1288 N CB 1.121 39.633 38.487 0.043 0.000 1.065 1288 N HN 0.543 nan 8.380 nan 0.000 0.461 1289 T N 1.386 115.962 114.554 0.037 0.000 2.685 1289 T HA -0.219 4.131 4.350 0.000 0.000 0.268 1289 T C 1.180 175.928 174.700 0.079 0.000 1.034 1289 T CA 1.416 63.544 62.100 0.046 0.000 1.149 1289 T CB -0.485 68.430 68.868 0.078 0.000 0.860 1289 T HN 0.635 nan 8.240 nan 0.000 0.449 1290 F N 1.233 121.161 119.950 -0.037 0.000 2.365 1290 F HA -0.012 4.515 4.527 -0.000 0.000 0.300 1290 F C 1.279 177.052 175.800 -0.044 0.000 1.090 1290 F CA 0.929 58.909 58.000 -0.033 0.000 1.408 1290 F CB 0.111 39.099 39.000 -0.019 0.000 1.060 1290 F HN 0.015 nan 8.300 nan 0.000 0.534 1291 D N -0.268 120.159 120.400 0.045 0.000 2.462 1291 D HA 0.083 4.723 4.640 0.000 0.000 0.221 1291 D C 1.647 177.895 176.300 -0.087 0.000 1.173 1291 D CA 0.039 54.004 54.000 -0.057 0.000 0.831 1291 D CB 0.012 40.861 40.800 0.081 0.000 1.001 1291 D HN 0.278 nan 8.370 nan 0.000 0.499 1292 I N 0.051 120.534 120.570 -0.144 0.000 2.286 1292 I HA -0.227 3.943 4.170 0.000 0.000 0.248 1292 I C 1.882 177.906 176.117 -0.156 0.000 1.115 1292 I CA 1.600 62.769 61.300 -0.218 0.000 1.392 1292 I CB -0.159 37.640 38.000 -0.335 0.000 1.065 1292 I HN -0.051 nan 8.210 nan 0.000 0.418 1293 T N -0.434 114.024 114.554 -0.161 0.000 2.708 1293 T HA -0.151 4.199 4.350 0.000 0.000 0.266 1293 T C 2.029 176.670 174.700 -0.098 0.000 1.037 1293 T CA 1.750 63.760 62.100 -0.150 0.000 1.146 1293 T CB -0.538 68.226 68.868 -0.173 0.000 0.865 1293 T HN 0.192 nan 8.240 nan 0.000 0.435 1294 V N 0.389 120.253 119.914 -0.083 0.000 2.407 1294 V HA -0.172 3.948 4.120 0.000 0.000 0.248 1294 V C 2.012 178.107 176.094 0.001 0.000 1.055 1294 V CA 1.564 63.837 62.300 -0.045 0.000 1.049 1294 V CB -0.670 31.129 31.823 -0.040 0.000 0.662 1294 V HN 0.505 nan 8.190 nan 0.000 0.455 1295 Y N 0.319 120.548 120.300 -0.118 0.000 2.133 1295 Y HA -0.169 4.381 4.550 0.000 0.000 0.287 1295 Y C 2.233 178.074 175.900 -0.098 0.000 1.134 1295 Y CA 1.661 59.696 58.100 -0.108 0.000 1.133 1295 Y CB -0.212 38.156 38.460 -0.153 0.000 0.987 1295 Y HN 0.123 nan 8.280 nan 0.000 0.502 1296 L N -0.299 120.922 121.223 -0.004 0.000 2.042 1296 L HA -0.266 4.074 4.340 0.000 0.000 0.210 1296 L C 2.319 179.149 176.870 -0.067 0.000 1.076 1296 L CA 1.309 56.124 54.840 -0.042 0.000 0.749 1296 L CB -0.660 41.396 42.059 -0.004 0.000 0.893 1296 L HN 0.288 nan 8.230 nan 0.000 0.432 1297 L N -0.707 120.476 121.223 -0.067 0.000 2.456 1297 L HA -0.161 4.179 4.340 0.000 0.000 0.224 1297 L C 2.342 179.169 176.870 -0.073 0.000 1.148 1297 L CA 0.640 55.444 54.840 -0.060 0.000 0.825 1297 L CB -0.368 41.657 42.059 -0.058 0.000 0.937 1297 L HN 0.381 nan 8.230 nan 0.000 0.450 1298 Q N 0.176 119.910 119.800 -0.111 0.000 2.436 1298 Q HA 0.016 4.356 4.340 0.000 0.000 0.209 1298 Q C 0.980 176.910 176.000 -0.116 0.000 0.965 1298 Q CA 0.628 56.360 55.803 -0.119 0.000 0.910 1298 Q CB 0.223 28.862 28.738 -0.166 0.000 0.980 1298 Q HN 0.573 nan 8.270 nan 0.000 0.491 1299 G N 1.247 109.979 108.800 -0.113 0.000 2.392 1299 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 1299 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 1299 G C -0.610 174.228 174.900 -0.104 0.000 1.097 1299 G CA -0.542 44.509 45.100 -0.082 0.000 0.840 1299 G HN 0.124 nan 8.290 nan 0.000 0.492 1300 R N -0.537 119.876 120.500 -0.146 0.000 2.803 1300 R HA 0.897 5.237 4.340 0.000 0.000 0.276 1300 R C -0.196 176.072 176.300 -0.055 0.000 0.978 1300 R CA -1.061 54.941 56.100 -0.164 0.000 0.939 1300 R CB 1.693 31.706 30.300 -0.477 0.000 1.179 1300 R HN 0.158 nan 8.270 nan 0.000 0.472 1301 R N 1.032 121.522 120.500 -0.017 0.000 2.799 1301 R HA 0.395 4.735 4.340 0.000 0.000 0.270 1301 R C -0.768 175.476 176.300 -0.093 0.000 1.010 1301 R CA -1.176 54.864 56.100 -0.100 0.000 0.916 1301 R CB 1.000 31.288 30.300 -0.021 0.000 1.228 1301 R HN 0.436 nan 8.270 nan 0.000 0.469 1302 L N 2.189 123.149 121.223 -0.438 0.000 2.490 1302 L HA 0.126 4.466 4.340 0.000 0.000 0.274 1302 L C 0.651 177.578 176.870 0.095 0.000 1.201 1302 L CA 0.130 54.675 54.840 -0.492 0.000 0.869 1302 L CB 0.045 41.349 42.059 -1.258 0.000 1.123 1302 L HN 0.260 nan 8.230 nan 0.000 0.484 1303 L N 2.638 123.968 121.223 0.179 0.000 2.473 1303 L HA 0.076 4.416 4.340 0.000 0.000 0.268 1303 L C 0.623 177.628 176.870 0.223 0.000 1.215 1303 L CA -0.078 54.894 54.840 0.219 0.000 0.823 1303 L CB 0.071 42.234 42.059 0.173 0.000 1.099 1303 L HN 0.630 nan 8.230 nan 0.000 0.483 1304 Q N 2.437 122.062 119.800 -0.292 0.000 2.286 1304 Q HA 0.197 4.537 4.340 0.000 0.000 0.267 1304 Q C -2.223 173.663 176.000 -0.192 0.000 1.028 1304 Q CA -1.615 53.812 55.803 -0.626 0.000 0.901 1304 Q CB 0.893 28.947 28.738 -1.140 0.000 1.183 1304 Q HN 0.268 nan 8.270 nan 0.000 0.392 1305 P HA -0.094 nan 4.420 nan 0.000 0.267 1305 P C 0.091 177.284 177.300 -0.177 0.000 1.200 1305 P CA 0.155 63.141 63.100 -0.190 0.000 0.772 1305 P CB 0.637 32.138 31.700 -0.331 0.000 0.855 1306 E N 1.530 121.615 120.200 -0.191 0.000 2.136 1306 E HA -0.262 4.088 4.350 0.000 0.000 0.202 1306 E C 0.265 176.600 176.600 -0.441 0.000 1.019 1306 E CA 1.627 57.825 56.400 -0.336 0.000 0.819 1306 E CB -0.201 29.233 29.700 -0.443 0.000 0.739 1306 E HN 0.539 nan 8.360 nan 0.000 0.458 1307 Y N -0.844 119.389 120.300 -0.110 0.000 2.524 1307 Y HA 0.188 4.738 4.550 0.000 0.000 0.266 1307 Y C 0.408 176.221 175.900 -0.144 0.000 1.180 1307 Y CA -0.609 57.418 58.100 -0.122 0.000 1.244 1307 Y CB 0.243 38.625 38.460 -0.130 0.000 1.125 1307 Y HN 0.056 nan 8.280 nan 0.000 0.524 1308 C N 4.208 123.482 119.300 -0.043 0.000 2.394 1308 C HA 0.433 4.893 4.460 0.000 0.000 0.362 1308 C C -2.151 172.831 174.990 -0.015 0.000 1.268 1308 C CA -2.418 56.575 59.018 -0.042 0.000 1.828 1308 C CB -0.268 27.452 27.740 -0.034 0.000 2.442 1308 C HN 0.175 nan 8.230 nan 0.000 0.549 1309 P HA 0.196 nan 4.420 nan 0.000 0.271 1309 P C 0.348 177.710 177.300 0.104 0.000 1.218 1309 P CA 0.170 63.325 63.100 0.093 0.000 0.780 1309 P CB 0.634 32.476 31.700 0.238 0.000 0.901 1310 D N 3.382 123.838 120.400 0.093 0.000 2.126 1310 D HA -0.167 4.473 4.640 0.000 0.000 0.190 1310 D C -0.614 175.762 176.300 0.127 0.000 1.001 1310 D CA 2.043 56.111 54.000 0.114 0.000 0.841 1310 D CB -2.013 38.834 40.800 0.078 0.000 0.949 1310 D HN 0.445 nan 8.370 nan 0.000 0.446 1311 P HA -0.092 nan 4.420 nan 0.000 0.220 1311 P C 1.795 179.139 177.300 0.074 0.000 1.148 1311 P CA 0.699 63.846 63.100 0.079 0.000 0.803 1311 P CB 0.097 31.843 31.700 0.077 0.000 0.782 1312 L N -1.685 119.598 121.223 0.101 0.000 2.131 1312 L HA -0.062 4.278 4.340 0.000 0.000 0.206 1312 L C 2.657 179.559 176.870 0.053 0.000 1.087 1312 L CA 1.381 56.263 54.840 0.070 0.000 0.767 1312 L CB -1.325 40.775 42.059 0.068 0.000 0.917 1312 L HN -0.196 nan 8.230 nan 0.000 0.441 1313 Y N 0.828 121.109 120.300 -0.031 0.000 2.181 1313 Y HA -0.255 4.295 4.550 0.000 0.000 0.288 1313 Y C 2.374 178.221 175.900 -0.088 0.000 1.146 1313 Y CA 2.051 60.124 58.100 -0.045 0.000 1.164 1313 Y CB -0.195 38.271 38.460 0.009 0.000 0.982 1313 Y HN 0.346 nan 8.280 nan 0.000 0.515 1314 E N -1.080 119.066 120.200 -0.090 0.000 2.160 1314 E HA -0.189 4.161 4.350 0.000 0.000 0.195 1314 E C 2.265 178.740 176.600 -0.210 0.000 0.991 1314 E CA 1.452 57.760 56.400 -0.154 0.000 0.810 1314 E CB -0.241 29.436 29.700 -0.038 0.000 0.742 1314 E HN 0.304 nan 8.360 nan 0.000 0.466 1315 V N 0.985 120.795 119.914 -0.173 0.000 2.379 1315 V HA -0.258 3.862 4.120 0.000 0.000 0.245 1315 V C 2.178 178.059 176.094 -0.356 0.000 1.044 1315 V CA 1.559 63.755 62.300 -0.173 0.000 1.036 1315 V CB -0.295 31.489 31.823 -0.064 0.000 0.664 1315 V HN 0.323 nan 8.190 nan 0.000 0.453 1316 M N -0.733 118.546 119.600 -0.535 0.000 2.108 1316 M HA -0.188 4.292 4.480 0.000 0.000 0.261 1316 M C 2.147 177.627 176.300 -1.365 0.000 1.066 1316 M CA 1.960 56.604 55.300 -1.094 0.000 1.107 1316 M CB -0.517 31.424 32.600 -1.098 0.000 1.356 1316 M HN 0.261 nan 8.290 nan 0.000 0.406 1317 L N -0.266 120.450 121.223 -0.844 0.000 2.141 1317 L HA -0.197 4.143 4.340 0.000 0.000 0.209 1317 L C 2.402 179.080 176.870 -0.320 0.000 1.094 1317 L CA 1.223 55.776 54.840 -0.479 0.000 0.763 1317 L CB -0.686 41.140 42.059 -0.390 0.000 0.908 1317 L HN 0.299 nan 8.230 nan 0.000 0.437 1318 K N -0.395 119.831 120.400 -0.290 0.000 2.057 1318 K HA -0.137 4.183 4.320 0.000 0.000 0.206 1318 K C 2.177 178.691 176.600 -0.143 0.000 1.050 1318 K CA 1.560 57.769 56.287 -0.129 0.000 0.935 1318 K CB -0.303 32.136 32.500 -0.102 0.000 0.715 1318 K HN 0.346 nan 8.250 nan 0.000 0.439 1319 C N -0.125 118.972 119.300 -0.339 0.000 2.419 1319 C HA -0.089 4.371 4.460 0.000 0.000 0.281 1319 C C 1.420 176.260 174.990 -0.250 0.000 1.336 1319 C CA 0.092 58.921 59.018 -0.315 0.000 1.770 1319 C CB -0.828 26.647 27.740 -0.442 0.000 1.929 1319 C HN 0.568 nan 8.230 nan 0.000 0.509 1320 W N 0.002 121.063 121.300 -0.398 0.000 3.194 1320 W HA 0.280 4.939 4.660 -0.000 0.000 0.408 1320 W C 0.927 177.296 176.519 -0.251 0.000 1.072 1320 W CA -0.798 56.072 57.345 -0.791 0.000 1.953 1320 W CB -1.576 27.216 29.460 -1.113 0.000 1.091 1320 W HN 0.425 nan 8.180 nan 0.000 0.699 1321 H N 3.864 122.972 119.070 0.064 0.000 3.070 1321 H HA -0.030 4.526 4.556 0.000 0.000 0.313 1321 H C -1.101 174.363 175.328 0.227 0.000 0.997 1321 H CA -0.274 55.837 56.048 0.105 0.000 1.438 1321 H CB 1.290 31.082 29.762 0.050 0.000 1.455 1321 H HN -0.100 nan 8.280 nan 0.000 0.575 1322 P HA -0.111 nan 4.420 nan 0.000 0.219 1322 P C -0.274 177.205 177.300 0.299 0.000 1.146 1322 P CA 1.318 64.597 63.100 0.299 0.000 0.808 1322 P CB 0.329 32.120 31.700 0.152 0.000 0.779 1323 K N 0.182 120.839 120.400 0.429 0.000 2.263 1323 K HA 0.428 4.748 4.320 0.000 0.000 0.282 1323 K C 1.298 177.951 176.600 0.089 0.000 1.089 1323 K CA -0.241 56.154 56.287 0.180 0.000 0.907 1323 K CB 0.899 33.446 32.500 0.077 0.000 1.148 1323 K HN -0.134 nan 8.250 nan 0.000 0.470 1324 A N 3.515 126.386 122.820 0.085 0.000 1.927 1324 A HA -0.239 4.081 4.320 0.000 0.000 0.220 1324 A C 1.934 179.517 177.584 -0.001 0.000 1.185 1324 A CA 1.917 53.995 52.037 0.069 0.000 0.639 1324 A CB -0.298 18.731 19.000 0.049 0.000 0.820 1324 A HN 0.854 nan 8.150 nan 0.000 0.451 1325 E N -0.815 119.362 120.200 -0.038 0.000 2.418 1325 E HA -0.112 4.238 4.350 0.000 0.000 0.197 1325 E C 1.279 177.801 176.600 -0.130 0.000 1.026 1325 E CA 0.808 57.169 56.400 -0.066 0.000 0.862 1325 E CB -0.343 29.328 29.700 -0.048 0.000 0.799 1325 E HN 0.490 nan 8.360 nan 0.000 0.518 1326 M N 0.888 120.342 119.600 -0.243 0.000 2.502 1326 M HA 0.188 4.668 4.480 0.000 0.000 0.243 1326 M C 0.543 176.650 176.300 -0.321 0.000 1.130 1326 M CA 0.075 55.115 55.300 -0.433 0.000 1.055 1326 M CB -0.227 31.743 32.600 -1.050 0.000 1.457 1326 M HN -0.056 nan 8.290 nan 0.000 0.488 1327 R N 1.835 122.237 120.500 -0.163 0.000 2.543 1327 R HA 0.199 4.539 4.340 0.000 0.000 0.277 1327 R C -2.122 174.115 176.300 -0.105 0.000 1.074 1327 R CA -1.395 54.662 56.100 -0.072 0.000 1.076 1327 R CB -0.273 30.022 30.300 -0.008 0.000 0.993 1327 R HN 0.047 nan 8.270 nan 0.000 0.459 1328 P HA -0.035 nan 4.420 nan 0.000 0.269 1328 P C -0.404 176.781 177.300 -0.192 0.000 1.215 1328 P CA -0.152 62.872 63.100 -0.125 0.000 0.780 1328 P CB 0.801 32.434 31.700 -0.112 0.000 0.898 1329 S N 0.999 116.607 115.700 -0.153 0.000 2.624 1329 S HA 0.217 4.688 4.470 0.000 0.000 0.263 1329 S C 1.015 175.490 174.600 -0.209 0.000 1.287 1329 S CA -0.338 57.763 58.200 -0.166 0.000 0.990 1329 S CB -0.072 63.092 63.200 -0.060 0.000 0.950 1329 S HN 0.219 nan 8.310 nan 0.000 0.561 1330 F N 0.721 120.611 119.950 -0.101 0.000 2.269 1330 F HA -0.006 4.521 4.527 -0.000 0.000 0.301 1330 F C 2.969 178.692 175.800 -0.129 0.000 1.082 1330 F CA 1.282 59.180 58.000 -0.170 0.000 1.360 1330 F CB -0.805 38.084 39.000 -0.186 0.000 1.041 1330 F HN 0.716 nan 8.300 nan 0.000 0.512 1331 S N -0.338 115.409 115.700 0.078 0.000 2.368 1331 S HA -0.234 4.236 4.470 0.000 0.000 0.224 1331 S C 2.175 176.784 174.600 0.016 0.000 1.029 1331 S CA 1.591 59.815 58.200 0.040 0.000 0.988 1331 S CB -0.342 62.876 63.200 0.030 0.000 0.838 1331 S HN 0.556 nan 8.310 nan 0.000 0.462 1332 E N 0.231 120.426 120.200 -0.008 0.000 2.072 1332 E HA -0.077 4.273 4.350 0.000 0.000 0.191 1332 E C 2.134 178.727 176.600 -0.012 0.000 0.985 1332 E CA 0.994 57.385 56.400 -0.016 0.000 0.801 1332 E CB -0.233 29.446 29.700 -0.036 0.000 0.750 1332 E HN 0.552 nan 8.360 nan 0.000 0.452 1333 L N 0.417 121.619 121.223 -0.034 0.000 2.046 1333 L HA -0.190 4.150 4.340 0.000 0.000 0.208 1333 L C 2.564 179.451 176.870 0.029 0.000 1.077 1333 L CA 0.827 55.659 54.840 -0.013 0.000 0.747 1333 L CB -0.373 41.623 42.059 -0.106 0.000 0.896 1333 L HN 0.114 nan 8.230 nan 0.000 0.432 1334 V N -1.011 118.914 119.914 0.019 0.000 2.332 1334 V HA -0.336 3.784 4.120 0.000 0.000 0.248 1334 V C 2.695 178.812 176.094 0.038 0.000 1.055 1334 V CA 2.108 64.424 62.300 0.027 0.000 1.038 1334 V CB -0.453 31.382 31.823 0.020 0.000 0.651 1334 V HN 0.478 nan 8.190 nan 0.000 0.450 1335 S N -0.554 115.166 115.700 0.033 0.000 2.348 1335 S HA -0.211 4.259 4.470 0.000 0.000 0.221 1335 S C 2.194 176.824 174.600 0.049 0.000 1.033 1335 S CA 1.707 59.929 58.200 0.037 0.000 1.010 1335 S CB -0.211 63.005 63.200 0.026 0.000 0.891 1335 S HN 0.548 nan 8.310 nan 0.000 0.442 1336 R N 0.241 120.769 120.500 0.046 0.000 2.073 1336 R HA 0.034 4.374 4.340 0.000 0.000 0.234 1336 R C 2.345 178.698 176.300 0.088 0.000 1.134 1336 R CA 1.840 57.974 56.100 0.056 0.000 0.952 1336 R CB -0.483 29.840 30.300 0.040 0.000 0.850 1336 R HN 0.482 nan 8.270 nan 0.000 0.433 1337 I N 0.659 121.292 120.570 0.105 0.000 2.315 1337 I HA -0.236 3.934 4.170 0.000 0.000 0.248 1337 I C 2.545 178.759 176.117 0.163 0.000 1.117 1337 I CA 1.251 62.637 61.300 0.142 0.000 1.404 1337 I CB -0.416 37.685 38.000 0.168 0.000 1.071 1337 I HN 0.235 nan 8.210 nan 0.000 0.419 1338 S N 1.482 117.254 115.700 0.120 0.000 2.399 1338 S HA -0.135 4.335 4.470 0.000 0.000 0.231 1338 S C 2.170 176.891 174.600 0.202 0.000 1.022 1338 S CA 0.939 59.223 58.200 0.140 0.000 0.983 1338 S CB -0.368 62.878 63.200 0.078 0.000 0.803 1338 S HN 0.402 nan 8.310 nan 0.000 0.480 1339 A N 1.794 124.700 122.820 0.143 0.000 1.898 1339 A HA 0.237 4.557 4.320 0.000 0.000 0.214 1339 A C 2.197 179.857 177.584 0.127 0.000 1.183 1339 A CA 1.112 53.216 52.037 0.112 0.000 0.622 1339 A CB -0.713 18.329 19.000 0.070 0.000 0.824 1339 A HN 0.563 nan 8.150 nan 0.000 0.444 1340 I N -1.548 119.124 120.570 0.171 0.000 2.226 1340 I HA -0.231 3.939 4.170 0.000 0.000 0.245 1340 I C 2.355 178.683 176.117 0.353 0.000 1.100 1340 I CA 1.654 63.090 61.300 0.227 0.000 1.374 1340 I CB -0.381 37.767 38.000 0.247 0.000 1.057 1340 I HN 0.466 nan 8.210 nan 0.000 0.413 1341 F N 2.011 122.080 119.950 0.197 0.000 2.126 1341 F HA -0.301 4.227 4.527 0.000 0.000 0.299 1341 F C 2.799 178.698 175.800 0.164 0.000 1.096 1341 F CA 1.804 59.922 58.000 0.197 0.000 1.255 1341 F CB -0.336 38.718 39.000 0.089 0.000 0.997 1341 F HN 0.130 nan 8.300 nan 0.000 0.479 1342 S N -0.911 114.837 115.700 0.080 0.000 2.442 1342 S HA -0.206 4.264 4.470 0.000 0.000 0.236 1342 S C 1.941 176.453 174.600 -0.148 0.000 1.007 1342 S CA 1.346 59.511 58.200 -0.060 0.000 0.965 1342 S CB -1.517 61.717 63.200 0.056 0.000 0.773 1342 S HN 0.642 nan 8.310 nan 0.000 0.504 1343 T N -1.711 112.736 114.554 -0.178 0.000 3.043 1343 T HA 0.254 4.604 4.350 0.000 0.000 0.263 1343 T C 0.332 174.736 174.700 -0.493 0.000 1.094 1343 T CA -0.206 61.688 62.100 -0.342 0.000 1.127 1343 T CB -0.651 67.947 68.868 -0.450 0.000 0.905 1343 T HN 0.318 nan 8.240 nan 0.000 0.490 1344 F N 1.508 121.353 119.950 -0.174 0.000 2.375 1344 F HA 0.496 5.023 4.527 0.000 0.000 0.333 1344 F C 1.347 176.996 175.800 -0.252 0.000 1.104 1344 F CA -1.438 56.455 58.000 -0.178 0.000 1.149 1344 F CB 1.165 40.059 39.000 -0.177 0.000 1.190 1344 F HN 0.016 nan 8.300 nan 0.000 0.533 1345 I N -0.939 119.607 120.570 -0.040 0.000 4.227 1345 I HA 0.513 4.683 4.170 0.000 0.000 0.334 1345 I C 1.010 177.040 176.117 -0.145 0.000 1.341 1345 I CA 0.084 61.313 61.300 -0.119 0.000 1.123 1345 I CB 0.618 38.551 38.000 -0.111 0.000 1.097 1345 I HN 0.731 nan 8.210 nan 0.000 0.399 1346 G N 1.614 110.315 108.800 -0.165 0.000 2.131 1346 G HA2 -0.205 3.755 3.960 0.000 0.000 0.201 1346 G HA3 -0.205 3.755 3.960 0.000 0.000 0.201 1346 G C 0.463 175.153 174.900 -0.350 0.000 1.000 1346 G CA 0.310 45.256 45.100 -0.257 0.000 0.680 1346 G HN 0.505 nan 8.290 nan 0.000 0.514 1347 E N -0.543 119.443 120.200 -0.357 0.000 2.190 1347 E HA 0.015 4.365 4.350 0.000 0.000 0.191 1347 E C 0.215 176.527 176.600 -0.481 0.000 0.978 1347 E CA 0.106 56.259 56.400 -0.412 0.000 0.839 1347 E CB 0.096 29.490 29.700 -0.510 0.000 0.787 1347 E HN 0.664 nan 8.360 nan 0.000 0.473 1348 H N 0.180 119.146 119.070 -0.173 0.000 2.705 1348 H HA 0.135 4.691 4.556 0.000 0.000 0.291 1348 H C -0.802 174.311 175.328 -0.358 0.000 1.085 1348 H CA -0.132 55.835 56.048 -0.136 0.000 1.357 1348 H CB -0.322 29.426 29.762 -0.023 0.000 1.419 1348 H HN 0.046 nan 8.280 nan 0.000 0.462 1349 Y N 1.366 121.591 120.300 -0.126 0.000 2.304 1349 Y HA 0.149 4.699 4.550 0.000 0.000 0.328 1349 Y C 0.648 176.041 175.900 -0.844 0.000 1.123 1349 Y CA -0.499 57.376 58.100 -0.376 0.000 1.218 1349 Y CB 1.102 39.402 38.460 -0.266 0.000 1.207 1349 Y HN 0.277 nan 8.280 nan 0.000 0.495 1350 V N 4.329 123.793 119.914 -0.751 0.000 2.350 1350 V HA 0.242 4.362 4.120 0.000 0.000 0.276 1350 V C -0.494 175.029 176.094 -0.953 0.000 1.028 1350 V CA -0.838 60.839 62.300 -1.039 0.000 0.860 1350 V CB 0.113 31.616 31.823 -0.534 0.000 0.990 1350 V HN 0.757 nan 8.190 nan 0.000 0.453 1351 H N 1.984 120.664 119.070 -0.650 0.000 2.502 1351 H HA 0.593 5.149 4.556 0.000 0.000 0.338 1351 H C 0.081 175.412 175.328 0.005 0.000 1.155 1351 H CA -0.808 55.135 56.048 -0.175 0.000 1.237 1351 H CB 1.806 31.545 29.762 -0.038 0.000 1.534 1351 H HN 0.638 nan 8.280 nan 0.000 0.523 1352 V N 0.797 120.798 119.914 0.146 0.000 2.715 1352 V HA 0.111 4.231 4.120 0.000 0.000 0.299 1352 V C 0.478 176.669 176.094 0.162 0.000 1.054 1352 V CA -0.789 61.579 62.300 0.114 0.000 1.077 1352 V CB 1.095 32.959 31.823 0.068 0.000 0.972 1352 V HN 0.763 nan 8.190 nan 0.000 0.484 1353 N N 3.617 122.415 118.700 0.163 0.000 2.430 1353 N HA 0.306 5.046 4.740 0.000 0.000 0.265 1353 N C 1.019 176.622 175.510 0.155 0.000 1.100 1353 N CA 0.490 53.650 53.050 0.184 0.000 0.961 1353 N CB 1.730 40.381 38.487 0.273 0.000 1.075 1353 N HN 0.994 nan 8.380 nan 0.000 0.478 1354 A N 2.894 125.773 122.820 0.098 0.000 1.978 1354 A HA -0.185 4.135 4.320 0.000 0.000 0.220 1354 A C 1.958 179.561 177.584 0.033 0.000 1.170 1354 A CA 2.318 54.390 52.037 0.058 0.000 0.636 1354 A CB -0.944 18.077 19.000 0.034 0.000 0.810 1354 A HN 0.820 nan 8.150 nan 0.000 0.448 1355 T N -4.858 109.693 114.554 -0.003 0.000 3.072 1355 T HA -0.033 4.317 4.350 0.000 0.000 0.266 1355 T C 1.283 175.861 174.700 -0.202 0.000 1.127 1355 T CA 1.233 63.260 62.100 -0.121 0.000 1.107 1355 T CB -0.419 68.333 68.868 -0.194 0.000 0.910 1355 T HN 0.461 nan 8.240 nan 0.000 0.513 1356 Y N 0.655 120.981 120.300 0.044 0.000 2.442 1356 Y HA 0.469 5.019 4.550 0.000 0.000 0.250 1356 Y C 0.955 176.883 175.900 0.047 0.000 1.113 1356 Y CA -1.116 57.016 58.100 0.053 0.000 1.273 1356 Y CB 0.463 38.951 38.460 0.047 0.000 1.138 1356 Y HN 0.031 nan 8.280 nan 0.000 0.522 1357 V N 2.580 122.588 119.914 0.157 0.000 2.585 1357 V HA -0.046 4.074 4.120 0.000 0.000 0.296 1357 V C 0.580 176.724 176.094 0.084 0.000 1.035 1357 V CA 0.108 62.470 62.300 0.103 0.000 1.084 1357 V CB 0.213 32.077 31.823 0.069 0.000 0.953 1357 V HN 0.608 nan 8.190 nan 0.000 0.483 1358 N N 1.348 120.094 118.700 0.077 0.000 2.857 1358 N HA -0.164 4.576 4.740 0.000 0.000 0.242 1358 N C -0.035 175.521 175.510 0.077 0.000 0.983 1358 N CA 0.950 54.038 53.050 0.064 0.000 0.934 1358 N CB -1.108 37.406 38.487 0.045 0.000 1.115 1358 N HN 0.498 nan 8.380 nan 0.000 0.593 1359 V N 1.667 121.646 119.914 0.108 0.000 2.470 1359 V HA 0.109 4.229 4.120 0.000 0.000 0.276 1359 V C 1.072 177.250 176.094 0.139 0.000 1.040 1359 V CA 0.202 62.577 62.300 0.125 0.000 1.008 1359 V CB 1.388 33.310 31.823 0.165 0.000 0.990 1359 V HN 0.040 nan 8.190 nan 0.000 0.477 1360 K N 0.000 120.469 120.400 0.115 0.000 2.780 1360 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1360 K CA 0.000 56.357 56.287 0.116 0.000 0.838 1360 K CB 0.000 32.553 32.500 0.088 0.000 1.064 1360 K HN 0.000 nan 8.250 nan 0.000 0.543