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 2dqy_1_A DATA FIRST_RESID 1021 DATA SEQUENCE SSPPVVDTVH GKVLGKFVSL EGFAQPVAIF LGIPFAKPPL GPLRFTPPQP DATA SEQUENCE AEPWSFVKNA TSYPPMcTQD PKAGQLLSEL FTNRKENIPL KLSEDcLYLN DATA SEQUENCE IYTPADLTKK NRLPVMVWIH GGGLMVGAAS TYDGLALAAH ENVVVVTIQY DATA SEQUENCE RLGIWGFFST GDEHSRGNWG HLDQVAALRW VQDNIASFGG NPGSVTIFGE DATA SEQUENCE SAGGESVSVL VLSPLAKNLF HRAISESGVA LTSVLVKKGD VKPLAEQIAI DATA SEQUENCE TAGcKTTTSA VMVHcLRQKT EEELLETTLK MKFLSLDLQG DPRESQPLLG DATA SEQUENCE TVIDGMLLLK TPEELQAERN FHTVPYMVGI NKQEFGWLIP MXLMSYPLSE DATA SEQUENCE GQLDQKTAMS LLWKSYPLVC IAKELIPEAT EKYLGGTDDT VKKKDLFLDL DATA SEQUENCE IADVMFGVPS VIVARNHRDA GAPTYMYEFQ YRPSFSSDMK PKTVIGDHGD DATA SEQUENCE ELFSVFGAPF LKEGASEEEI RLSKMVMKFW ANFARNGNPN GEGLPHWPEY DATA SEQUENCE NQKEGYLQIG ANTQAAQKLK DKEVAFWTNL FAK 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 1021 S HA 0.000 nan 4.470 nan 0.000 0.327 1021 S C 0.000 174.656 174.600 0.093 0.000 1.055 1021 S CA 0.000 58.224 58.200 0.039 0.000 1.107 1021 S CB 0.000 63.210 63.200 0.016 0.000 0.593 1022 S N 1.599 117.408 115.700 0.182 0.000 2.583 1022 S HA 0.582 5.052 4.470 0.000 0.000 0.294 1022 S C -3.220 171.511 174.600 0.220 0.000 1.121 1022 S CA -0.552 57.748 58.200 0.166 0.000 0.910 1022 S CB 1.010 64.283 63.200 0.121 0.000 1.102 1022 S HN 0.105 nan 8.310 nan 0.000 0.451 1023 P HA 0.174 nan 4.420 nan 0.000 0.263 1023 P C -2.625 174.581 177.300 -0.157 0.000 1.175 1023 P CA -0.418 62.626 63.100 -0.093 0.000 0.761 1023 P CB -0.261 31.392 31.700 -0.079 0.000 0.794 1024 P HA 0.048 nan 4.420 nan 0.000 0.267 1024 P C -0.825 176.461 177.300 -0.024 0.000 1.205 1024 P CA 0.416 63.331 63.100 -0.308 0.000 0.765 1024 P CB 0.462 31.781 31.700 -0.635 0.000 0.828 1025 V N 5.339 125.301 119.914 0.080 0.000 2.357 1025 V HA 0.203 4.323 4.120 0.000 0.000 0.281 1025 V C 0.218 176.365 176.094 0.087 0.000 1.015 1025 V CA -0.560 61.815 62.300 0.124 0.000 0.827 1025 V CB 1.753 33.630 31.823 0.090 0.000 1.018 1025 V HN 0.233 nan 8.190 nan 0.000 0.432 1026 V N 2.851 122.804 119.914 0.065 0.000 2.837 1026 V HA 0.492 4.613 4.120 0.000 0.000 0.310 1026 V C -0.205 175.835 176.094 -0.091 0.000 1.059 1026 V CA -0.531 61.660 62.300 -0.183 0.000 1.004 1026 V CB 2.178 33.552 31.823 -0.748 0.000 1.045 1026 V HN 0.794 nan 8.190 nan 0.000 0.465 1027 D N 1.797 122.115 120.400 -0.136 0.000 2.381 1027 D HA 0.420 5.061 4.640 0.000 0.000 0.235 1027 D C -0.142 176.113 176.300 -0.074 0.000 1.068 1027 D CA -0.069 53.904 54.000 -0.046 0.000 0.832 1027 D CB 1.822 42.593 40.800 -0.048 0.000 1.101 1027 D HN 0.795 nan 8.370 nan 0.000 0.515 1028 T N -0.706 113.868 114.554 0.034 0.000 2.937 1028 T HA 0.283 4.634 4.350 0.000 0.000 0.283 1028 T C 1.671 176.315 174.700 -0.093 0.000 1.012 1028 T CA -0.664 61.453 62.100 0.029 0.000 0.997 1028 T CB 1.105 70.168 68.868 0.324 0.000 1.136 1028 T HN 0.022 nan 8.240 nan 0.000 0.551 1029 V N 1.100 120.890 119.914 -0.206 0.000 2.324 1029 V HA -0.173 3.947 4.120 0.000 0.000 0.250 1029 V C 2.428 178.308 176.094 -0.357 0.000 1.060 1029 V CA 1.803 63.912 62.300 -0.318 0.000 1.042 1029 V CB -1.145 30.398 31.823 -0.467 0.000 0.650 1029 V HN 0.866 nan 8.190 nan 0.000 0.450 1030 H N -0.196 118.710 119.070 -0.273 0.000 2.548 1030 H HA 0.440 4.996 4.556 0.000 0.000 0.265 1030 H C 1.025 175.607 175.328 -1.244 0.000 0.969 1030 H CA 0.898 56.557 56.048 -0.648 0.000 1.155 1030 H CB 0.387 29.765 29.762 -0.640 0.000 1.394 1030 H HN 0.544 nan 8.280 nan 0.000 0.570 1031 G N 0.313 108.722 108.800 -0.652 0.000 2.326 1031 G HA2 -0.051 3.909 3.960 0.000 0.000 0.413 1031 G HA3 -0.051 3.909 3.960 0.000 0.000 0.413 1031 G C -1.203 173.869 174.900 0.288 0.000 1.444 1031 G CA -1.169 43.613 45.100 -0.531 0.000 1.002 1031 G HN 0.038 nan 8.290 nan 0.000 0.649 1032 K N -0.508 120.120 120.400 0.379 0.000 2.485 1032 K HA 0.406 4.727 4.320 0.000 0.000 0.277 1032 K C 0.041 176.971 176.600 0.550 0.000 0.990 1032 K CA -0.041 56.480 56.287 0.391 0.000 0.994 1032 K CB 1.116 33.772 32.500 0.261 0.000 0.906 1032 K HN 0.371 nan 8.250 nan 0.000 0.488 1033 V N 4.022 124.162 119.914 0.377 0.000 2.604 1033 V HA 0.283 4.404 4.120 0.000 0.000 0.305 1033 V C -0.683 175.612 176.094 0.335 0.000 1.043 1033 V CA -1.035 61.476 62.300 0.351 0.000 0.888 1033 V CB 1.840 33.917 31.823 0.424 0.000 0.995 1033 V HN 0.558 nan 8.190 nan 0.000 0.429 1034 L N 3.895 125.266 121.223 0.245 0.000 2.322 1034 L HA 0.887 5.227 4.340 0.000 0.000 0.281 1034 L C 0.255 177.137 176.870 0.020 0.000 1.014 1034 L CA 0.445 55.366 54.840 0.135 0.000 0.815 1034 L CB 1.081 43.165 42.059 0.042 0.000 1.247 1034 L HN 0.803 nan 8.230 nan 0.000 0.421 1035 G N 4.662 113.295 108.800 -0.279 0.000 3.217 1035 G HA2 0.652 4.612 3.960 0.000 0.000 0.213 1035 G HA3 0.652 4.612 3.960 0.000 0.000 0.213 1035 G C -1.371 173.176 174.900 -0.589 0.000 1.294 1035 G CA -0.550 44.095 45.100 -0.758 0.000 0.987 1035 G HN 0.694 nan 8.290 nan 0.000 0.584 1036 K N -1.219 118.795 120.400 -0.642 0.000 2.508 1036 K HA 0.646 4.967 4.320 0.000 0.000 0.260 1036 K C -1.717 174.636 176.600 -0.412 0.000 0.949 1036 K CA -0.832 55.202 56.287 -0.421 0.000 0.834 1036 K CB 2.160 34.515 32.500 -0.242 0.000 1.365 1036 K HN 0.282 nan 8.250 nan 0.000 0.437 1037 F N 1.198 121.083 119.950 -0.109 0.000 2.385 1037 F HA 0.478 5.005 4.527 0.000 0.000 0.336 1037 F C -0.317 175.466 175.800 -0.029 0.000 1.100 1037 F CA -0.705 57.261 58.000 -0.056 0.000 1.116 1037 F CB 1.992 40.978 39.000 -0.024 0.000 1.166 1037 F HN 0.103 nan 8.300 nan 0.000 0.511 1038 V N 2.339 122.395 119.914 0.237 0.000 2.612 1038 V HA 0.261 4.381 4.120 0.000 0.000 0.301 1038 V C -0.824 175.347 176.094 0.128 0.000 1.059 1038 V CA -0.880 61.505 62.300 0.142 0.000 0.886 1038 V CB 1.921 33.810 31.823 0.111 0.000 1.007 1038 V HN 0.729 nan 8.190 nan 0.000 0.426 1039 S N 4.834 120.591 115.700 0.096 0.000 2.480 1039 S HA 0.638 5.108 4.470 0.000 0.000 0.286 1039 S C -0.493 174.156 174.600 0.081 0.000 1.180 1039 S CA -0.402 57.846 58.200 0.080 0.000 1.075 1039 S CB 1.424 64.663 63.200 0.066 0.000 0.996 1039 S HN 0.577 nan 8.310 nan 0.000 0.487 1040 L N 4.276 125.538 121.223 0.066 0.000 2.257 1040 L HA 0.350 4.690 4.340 0.000 0.000 0.290 1040 L C 0.240 177.238 176.870 0.214 0.000 1.044 1040 L CA -0.591 54.294 54.840 0.076 0.000 0.810 1040 L CB 0.342 42.327 42.059 -0.123 0.000 1.193 1040 L HN 0.741 nan 8.230 nan 0.000 0.425 1041 E N 4.187 124.502 120.200 0.192 0.000 2.608 1041 E HA 0.358 4.709 4.350 0.000 0.000 0.259 1041 E C 0.934 177.680 176.600 0.244 0.000 0.951 1041 E CA 0.636 57.146 56.400 0.183 0.000 0.945 1041 E CB 0.096 29.880 29.700 0.141 0.000 0.916 1041 E HN 0.929 nan 8.360 nan 0.000 0.477 1042 G N 2.408 111.285 108.800 0.127 0.000 2.218 1042 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 1042 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 1042 G C -0.279 174.434 174.900 -0.313 0.000 0.994 1042 G CA -0.117 44.946 45.100 -0.061 0.000 0.637 1042 G HN 0.422 nan 8.290 nan 0.000 0.505 1043 F N 0.512 120.424 119.950 -0.063 0.000 2.507 1043 F HA 0.794 5.321 4.527 0.000 0.000 0.325 1043 F C 1.149 176.922 175.800 -0.045 0.000 1.116 1043 F CA -0.214 57.741 58.000 -0.074 0.000 0.930 1043 F CB 1.760 40.702 39.000 -0.097 0.000 1.146 1043 F HN 0.124 nan 8.300 nan 0.000 0.447 1044 A N 1.578 124.454 122.820 0.093 0.000 1.823 1044 A HA -0.084 4.236 4.320 0.000 0.000 0.214 1044 A C 0.973 178.585 177.584 0.046 0.000 1.225 1044 A CA 0.685 52.748 52.037 0.043 0.000 0.604 1044 A CB -0.727 18.276 19.000 0.006 0.000 0.878 1044 A HN 0.664 nan 8.150 nan 0.000 0.450 1045 Q N 1.841 121.671 119.800 0.051 0.000 2.275 1045 Q HA 0.117 4.457 4.340 0.000 0.000 0.293 1045 Q C -2.272 173.754 176.000 0.043 0.000 1.129 1045 Q CA -1.541 54.277 55.803 0.026 0.000 0.971 1045 Q CB 0.017 28.786 28.738 0.052 0.000 1.098 1045 Q HN 0.411 nan 8.270 nan 0.000 0.386 1046 P HA 0.023 nan 4.420 nan 0.000 0.271 1046 P C -0.847 176.554 177.300 0.167 0.000 1.218 1046 P CA -0.242 62.883 63.100 0.042 0.000 0.780 1046 P CB 0.884 32.549 31.700 -0.058 0.000 0.901 1047 V N 2.243 122.274 119.914 0.195 0.000 2.546 1047 V HA 0.355 4.476 4.120 0.000 0.000 0.284 1047 V C 0.891 177.171 176.094 0.309 0.000 1.050 1047 V CA -0.459 61.985 62.300 0.239 0.000 0.981 1047 V CB 0.800 32.730 31.823 0.180 0.000 0.990 1047 V HN 0.739 nan 8.190 nan 0.000 0.474 1048 A N 6.678 129.671 122.820 0.289 0.000 2.302 1048 A HA 0.701 5.021 4.320 0.000 0.000 0.295 1048 A C -0.390 177.173 177.584 -0.034 0.000 1.235 1048 A CA -0.290 51.764 52.037 0.029 0.000 0.876 1048 A CB -0.126 18.954 19.000 0.134 0.000 1.133 1048 A HN 0.761 nan 8.150 nan 0.000 0.533 1049 I N 2.726 123.107 120.570 -0.315 0.000 2.362 1049 I HA 0.365 4.535 4.170 0.000 0.000 0.289 1049 I C -1.237 174.534 176.117 -0.577 0.000 0.994 1049 I CA -0.242 60.854 61.300 -0.340 0.000 1.158 1049 I CB 1.339 39.204 38.000 -0.224 0.000 1.315 1049 I HN 0.533 nan 8.210 nan 0.000 0.451 1050 F N 6.788 126.584 119.950 -0.257 0.000 2.449 1050 F HA 0.524 5.051 4.527 0.001 0.000 0.342 1050 F C -0.267 175.385 175.800 -0.247 0.000 1.127 1050 F CA -0.585 57.309 58.000 -0.175 0.000 0.975 1050 F CB 1.263 40.242 39.000 -0.035 0.000 1.146 1050 F HN 0.126 nan 8.300 nan 0.000 0.444 1051 L N 3.002 124.163 121.223 -0.104 0.000 2.305 1051 L HA 0.666 5.007 4.340 0.000 0.000 0.284 1051 L C 0.648 177.464 176.870 -0.090 0.000 1.013 1051 L CA -0.754 53.998 54.840 -0.148 0.000 0.819 1051 L CB 1.564 43.413 42.059 -0.351 0.000 1.227 1051 L HN 0.915 nan 8.230 nan 0.000 0.417 1052 G N 3.397 112.181 108.800 -0.027 0.000 2.140 1052 G HA2 -0.213 3.747 3.960 0.000 0.000 0.211 1052 G HA3 -0.213 3.747 3.960 0.000 0.000 0.211 1052 G C -0.042 174.945 174.900 0.144 0.000 1.013 1052 G CA -0.615 44.469 45.100 -0.026 0.000 0.705 1052 G HN 0.509 nan 8.290 nan 0.000 0.508 1053 I N 2.766 123.387 120.570 0.084 0.000 2.505 1053 I HA 0.191 4.361 4.170 0.000 0.000 0.287 1053 I C -1.325 174.796 176.117 0.006 0.000 1.104 1053 I CA -1.731 59.577 61.300 0.014 0.000 1.387 1053 I CB 0.827 38.747 38.000 -0.134 0.000 1.404 1053 I HN -0.001 nan 8.210 nan 0.000 0.528 1054 P HA 0.025 nan 4.420 nan 0.000 0.276 1054 P C -0.229 176.938 177.300 -0.222 0.000 1.235 1054 P CA -0.011 62.891 63.100 -0.329 0.000 0.772 1054 P CB 0.640 32.170 31.700 -0.283 0.000 0.871 1055 F N 1.251 120.987 119.950 -0.357 0.000 2.682 1055 F HA 0.731 5.258 4.527 0.000 0.000 0.308 1055 F C -0.000 175.785 175.800 -0.024 0.000 1.093 1055 F CA -0.814 57.028 58.000 -0.263 0.000 1.244 1055 F CB 0.205 38.987 39.000 -0.364 0.000 1.052 1055 F HN 0.372 nan 8.300 nan 0.000 0.573 1056 A N 0.756 123.249 122.820 -0.546 0.000 2.609 1056 A HA 0.511 4.832 4.320 0.000 0.000 0.291 1056 A C -1.279 176.089 177.584 -0.359 0.000 1.096 1056 A CA -1.103 50.710 52.037 -0.374 0.000 0.684 1056 A CB 0.991 19.684 19.000 -0.512 0.000 1.282 1056 A HN 0.202 nan 8.150 nan 0.000 0.412 1057 K N 1.144 121.417 120.400 -0.212 0.000 2.322 1057 K HA 0.397 4.717 4.320 0.000 0.000 0.283 1057 K C -2.413 174.062 176.600 -0.208 0.000 1.042 1057 K CA -1.503 54.678 56.287 -0.177 0.000 0.958 1057 K CB 0.276 32.714 32.500 -0.104 0.000 0.984 1057 K HN 0.315 nan 8.250 nan 0.000 0.473 1058 P HA -0.078 nan 4.420 nan 0.000 0.255 1058 P C -2.356 174.854 177.300 -0.150 0.000 1.161 1058 P CA -0.633 62.359 63.100 -0.180 0.000 0.768 1058 P CB 0.122 31.753 31.700 -0.115 0.000 0.746 1059 P HA 0.005 nan 4.420 nan 0.000 0.249 1059 P C -0.360 176.851 177.300 -0.149 0.000 1.686 1059 P CA 0.433 63.439 63.100 -0.156 0.000 0.873 1059 P CB -0.006 31.597 31.700 -0.162 0.000 1.828 1060 L N -0.665 120.487 121.223 -0.120 0.000 2.454 1060 L HA 0.510 4.850 4.340 0.000 0.000 0.256 1060 L C 1.745 178.556 176.870 -0.097 0.000 1.136 1060 L CA -0.047 54.733 54.840 -0.099 0.000 0.804 1060 L CB -0.102 41.912 42.059 -0.075 0.000 1.181 1060 L HN 0.246 nan 8.230 nan 0.000 0.469 1061 G N 1.255 110.006 108.800 -0.082 0.000 2.634 1061 G HA2 -0.288 3.673 3.960 0.000 0.000 0.309 1061 G HA3 -0.288 3.673 3.960 0.000 0.000 0.309 1061 G C -1.347 173.500 174.900 -0.088 0.000 1.265 1061 G CA 0.283 45.340 45.100 -0.072 0.000 0.998 1061 G HN 0.639 nan 8.290 nan 0.000 0.551 1062 P HA 0.025 nan 4.420 nan 0.000 0.228 1062 P C 1.957 179.208 177.300 -0.081 0.000 1.151 1062 P CA 1.215 64.288 63.100 -0.044 0.000 0.770 1062 P CB -0.049 31.644 31.700 -0.012 0.000 0.786 1063 L N -0.985 120.172 121.223 -0.110 0.000 2.552 1063 L HA 0.050 4.390 4.340 0.000 0.000 0.227 1063 L C 1.792 178.517 176.870 -0.242 0.000 1.146 1063 L CA -0.039 54.716 54.840 -0.143 0.000 0.858 1063 L CB -0.390 41.596 42.059 -0.121 0.000 0.969 1063 L HN -0.057 nan 8.230 nan 0.000 0.451 1064 R N 0.356 120.678 120.500 -0.296 0.000 2.543 1064 R HA -0.011 4.329 4.340 0.000 0.000 0.277 1064 R C -0.232 175.689 176.300 -0.632 0.000 1.074 1064 R CA -0.217 55.550 56.100 -0.554 0.000 1.076 1064 R CB 0.270 30.168 30.300 -0.671 0.000 0.993 1064 R HN 0.047 nan 8.270 nan 0.000 0.459 1065 F N 0.098 119.656 119.950 -0.653 0.000 3.071 1065 F HA -0.264 4.263 4.527 0.001 0.000 0.295 1065 F C 0.010 174.814 175.800 -1.660 0.000 0.919 1065 F CA 1.410 58.664 58.000 -1.244 0.000 1.050 1065 F CB -2.502 36.237 39.000 -0.435 0.000 1.040 1065 F HN 0.680 nan 8.300 nan 0.000 0.692 1066 T N -3.678 110.125 114.554 -1.251 0.000 2.843 1066 T HA 0.764 5.115 4.350 0.000 0.000 0.302 1066 T C -3.057 171.466 174.700 -0.296 0.000 1.232 1066 T CA -2.286 59.384 62.100 -0.716 0.000 1.009 1066 T CB 3.298 71.998 68.868 -0.280 0.000 1.254 1066 T HN -0.245 nan 8.240 nan 0.000 0.504 1067 P HA 0.272 nan 4.420 nan 0.000 0.270 1067 P C -2.413 174.938 177.300 0.086 0.000 1.223 1067 P CA -0.940 62.284 63.100 0.207 0.000 0.785 1067 P CB -0.234 31.601 31.700 0.225 0.000 0.923 1068 P HA 0.109 nan 4.420 nan 0.000 0.276 1068 P C -0.854 176.480 177.300 0.057 0.000 1.230 1068 P CA 0.093 63.227 63.100 0.056 0.000 0.776 1068 P CB 0.830 32.593 31.700 0.104 0.000 0.888 1069 Q N 3.177 122.983 119.800 0.010 0.000 2.257 1069 Q HA 0.441 4.782 4.340 0.000 0.000 0.262 1069 Q C -2.264 173.753 176.000 0.028 0.000 0.997 1069 Q CA -2.184 53.634 55.803 0.025 0.000 0.873 1069 Q CB 0.656 29.394 28.738 0.000 0.000 1.312 1069 Q HN 0.359 nan 8.270 nan 0.000 0.450 1070 P HA -0.060 nan 4.420 nan 0.000 0.268 1070 P C -1.207 176.083 177.300 -0.017 0.000 1.208 1070 P CA 0.240 63.401 63.100 0.101 0.000 0.777 1070 P CB 0.463 32.250 31.700 0.146 0.000 0.875 1071 A N 2.333 125.104 122.820 -0.083 0.000 2.351 1071 A HA 0.230 4.551 4.320 0.000 0.000 0.257 1071 A C 0.246 177.596 177.584 -0.390 0.000 1.087 1071 A CA -0.322 51.593 52.037 -0.204 0.000 0.798 1071 A CB 0.024 18.965 19.000 -0.099 0.000 1.033 1071 A HN 0.435 nan 8.150 nan 0.000 0.488 1072 E N 1.123 121.217 120.200 -0.176 0.000 2.313 1072 E HA 0.326 4.676 4.350 0.000 0.000 0.276 1072 E C -2.347 174.181 176.600 -0.119 0.000 1.031 1072 E CA -1.688 54.636 56.400 -0.127 0.000 0.857 1072 E CB 0.204 29.896 29.700 -0.013 0.000 1.040 1072 E HN 0.335 nan 8.360 nan 0.000 0.408 1073 P HA 0.050 nan 4.420 nan 0.000 0.271 1073 P C -0.795 176.466 177.300 -0.064 0.000 1.218 1073 P CA -0.100 62.837 63.100 -0.272 0.000 0.780 1073 P CB 0.240 31.834 31.700 -0.176 0.000 0.901 1074 W N 0.706 122.034 121.300 0.048 0.000 2.570 1074 W HA 0.573 5.233 4.660 0.000 0.000 0.337 1074 W C 0.698 177.209 176.519 -0.013 0.000 1.067 1074 W CA -0.578 56.792 57.345 0.042 0.000 1.229 1074 W CB -0.243 29.269 29.460 0.086 0.000 1.355 1074 W HN 0.150 nan 8.180 nan 0.000 0.555 1075 S N 0.656 116.440 115.700 0.140 0.000 2.436 1075 S HA 0.047 4.517 4.470 0.000 0.000 0.228 1075 S C 0.307 174.596 174.600 -0.518 0.000 1.014 1075 S CA 0.757 58.801 58.200 -0.260 0.000 0.950 1075 S CB -0.311 62.644 63.200 -0.409 0.000 0.784 1075 S HN 0.443 nan 8.310 nan 0.000 0.504 1076 F N -0.478 119.619 119.950 0.244 0.000 3.248 1076 F HA 0.481 5.008 4.527 0.001 0.000 0.244 1076 F C -0.045 175.930 175.800 0.292 0.000 1.581 1076 F CA -1.091 57.030 58.000 0.202 0.000 0.959 1076 F CB -0.122 38.954 39.000 0.126 0.000 1.844 1076 F HN -0.364 nan 8.300 nan 0.000 0.343 1077 V N 1.467 121.640 119.914 0.432 0.000 2.383 1077 V HA 0.249 4.369 4.120 0.000 0.000 0.275 1077 V C -0.272 175.914 176.094 0.152 0.000 1.036 1077 V CA -0.869 61.602 62.300 0.285 0.000 0.889 1077 V CB 0.929 32.867 31.823 0.193 0.000 0.985 1077 V HN 0.410 nan 8.190 nan 0.000 0.459 1078 K N 4.241 124.654 120.400 0.021 0.000 2.227 1078 K HA 0.307 4.627 4.320 0.000 0.000 0.280 1078 K C -0.221 176.316 176.600 -0.105 0.000 1.041 1078 K CA -0.573 55.575 56.287 -0.233 0.000 0.905 1078 K CB 0.502 32.490 32.500 -0.853 0.000 1.068 1078 K HN 0.594 nan 8.250 nan 0.000 0.470 1079 N N 2.899 121.540 118.700 -0.099 0.000 2.415 1079 N HA 0.119 4.860 4.740 0.000 0.000 0.250 1079 N C -0.796 174.663 175.510 -0.085 0.000 1.127 1079 N CA -0.073 52.935 53.050 -0.070 0.000 0.945 1079 N CB 1.460 39.903 38.487 -0.074 0.000 1.196 1079 N HN 0.574 nan 8.380 nan 0.000 0.499 1080 A N 1.700 124.501 122.820 -0.031 0.000 3.168 1080 A HA 0.213 4.533 4.320 0.000 0.000 0.260 1080 A C 0.785 178.302 177.584 -0.112 0.000 1.598 1080 A CA -0.425 51.596 52.037 -0.027 0.000 1.285 1080 A CB -0.751 18.337 19.000 0.146 0.000 1.149 1080 A HN 0.519 nan 8.150 nan 0.000 0.630 1081 T N -3.046 111.415 114.554 -0.156 0.000 3.200 1081 T HA 0.363 4.713 4.350 0.000 0.000 0.284 1081 T C 0.143 174.700 174.700 -0.239 0.000 1.009 1081 T CA -0.105 61.869 62.100 -0.210 0.000 0.907 1081 T CB 0.042 68.806 68.868 -0.174 0.000 1.120 1081 T HN 0.206 nan 8.240 nan 0.000 0.534 1082 S N 1.048 116.608 115.700 -0.233 0.000 2.614 1082 S HA 0.516 4.986 4.470 0.000 0.000 0.288 1082 S C -1.205 173.272 174.600 -0.205 0.000 1.137 1082 S CA -0.789 57.281 58.200 -0.217 0.000 0.992 1082 S CB 0.742 63.856 63.200 -0.143 0.000 1.026 1082 S HN 0.314 nan 8.310 nan 0.000 0.486 1083 Y N 4.286 124.524 120.300 -0.104 0.000 2.802 1083 Y HA 0.072 4.623 4.550 0.000 0.000 0.333 1083 Y C -1.419 174.377 175.900 -0.173 0.000 1.244 1083 Y CA -0.946 57.090 58.100 -0.106 0.000 1.558 1083 Y CB -0.306 38.111 38.460 -0.072 0.000 1.233 1083 Y HN 0.392 nan 8.280 nan 0.000 0.547 1084 P HA 0.141 nan 4.420 nan 0.000 0.272 1084 P C -2.607 174.588 177.300 -0.176 0.000 1.230 1084 P CA -1.451 61.460 63.100 -0.316 0.000 0.788 1084 P CB 0.667 32.094 31.700 -0.456 0.000 0.949 1085 P HA 0.148 nan 4.420 nan 0.000 0.271 1085 P C -0.121 177.128 177.300 -0.084 0.000 1.233 1085 P CA 0.169 63.192 63.100 -0.129 0.000 0.789 1085 P CB 0.190 31.812 31.700 -0.129 0.000 0.951 1086 M N -0.606 118.936 119.600 -0.097 0.000 2.472 1086 M HA 0.500 4.980 4.480 0.000 0.000 0.331 1086 M C -0.872 175.348 176.300 -0.133 0.000 1.170 1086 M CA -0.751 54.491 55.300 -0.097 0.000 1.009 1086 M CB 0.894 33.422 32.600 -0.121 0.000 1.672 1086 M HN 0.099 nan 8.290 nan 0.000 0.453 1087 c N 2.029 120.548 118.600 -0.135 0.000 2.634 1087 c HA 0.110 4.680 4.570 0.000 0.000 0.417 1087 c C 0.965 174.870 174.090 -0.308 0.000 1.334 1087 c CA -0.107 56.089 56.329 -0.222 0.000 1.829 1087 c CB -0.621 41.783 42.510 -0.176 0.000 2.665 1087 c HN 0.881 nan 8.230 nan 0.000 0.614 1088 T N 4.641 118.865 114.554 -0.551 0.000 2.903 1088 T HA 0.229 4.580 4.350 0.000 0.000 0.299 1088 T C 0.062 174.527 174.700 -0.392 0.000 1.041 1088 T CA 0.637 62.344 62.100 -0.655 0.000 1.138 1088 T CB -0.148 67.867 68.868 -1.420 0.000 1.040 1088 T HN 0.907 nan 8.240 nan 0.000 0.524 1089 Q N 0.713 120.427 119.800 -0.145 0.000 2.874 1089 Q HA 0.272 4.612 4.340 0.000 0.000 0.303 1089 Q C -1.674 174.359 176.000 0.054 0.000 0.876 1089 Q CA -1.148 54.676 55.803 0.036 0.000 0.765 1089 Q CB 0.674 29.418 28.738 0.009 0.000 1.478 1089 Q HN 0.379 nan 8.270 nan 0.000 0.434 1090 D N 2.496 122.953 120.400 0.094 0.000 2.356 1090 D HA 0.049 4.689 4.640 0.000 0.000 0.272 1090 D C -1.185 175.130 176.300 0.025 0.000 1.337 1090 D CA -1.470 52.575 54.000 0.074 0.000 0.970 1090 D CB 0.912 41.766 40.800 0.090 0.000 1.092 1090 D HN 0.300 nan 8.370 nan 0.000 0.516 1091 P HA -0.241 nan 4.420 nan 0.000 0.216 1091 P C 1.331 178.620 177.300 -0.019 0.000 1.154 1091 P CA 1.233 64.322 63.100 -0.017 0.000 0.865 1091 P CB 0.462 32.152 31.700 -0.018 0.000 0.789 1092 K N -0.191 120.206 120.400 -0.006 0.000 1.978 1092 K HA -0.123 4.197 4.320 0.000 0.000 0.214 1092 K C 2.409 178.998 176.600 -0.019 0.000 1.049 1092 K CA 1.756 58.037 56.287 -0.010 0.000 0.939 1092 K CB -0.759 31.742 32.500 0.001 0.000 0.721 1092 K HN -0.007 nan 8.250 nan 0.000 0.441 1093 A N 0.860 123.675 122.820 -0.009 0.000 1.917 1093 A HA -0.157 4.164 4.320 0.000 0.000 0.219 1093 A C 2.322 179.881 177.584 -0.042 0.000 1.182 1093 A CA 2.252 54.278 52.037 -0.019 0.000 0.633 1093 A CB -1.317 17.689 19.000 0.009 0.000 0.819 1093 A HN 0.555 nan 8.150 nan 0.000 0.448 1094 G N -1.059 107.720 108.800 -0.035 0.000 2.480 1094 G HA2 -0.309 3.651 3.960 0.000 0.000 0.216 1094 G HA3 -0.309 3.651 3.960 0.000 0.000 0.216 1094 G C 1.652 176.501 174.900 -0.085 0.000 1.200 1094 G CA 1.170 46.234 45.100 -0.060 0.000 0.782 1094 G HN 0.629 nan 8.290 nan 0.000 0.554 1095 Q N -0.546 119.210 119.800 -0.073 0.000 2.119 1095 Q HA -0.060 4.280 4.340 0.000 0.000 0.201 1095 Q C 2.444 178.396 176.000 -0.080 0.000 0.972 1095 Q CA 1.130 56.885 55.803 -0.080 0.000 0.847 1095 Q CB -0.234 28.466 28.738 -0.063 0.000 0.903 1095 Q HN 0.383 nan 8.270 nan 0.000 0.433 1096 L N 0.554 121.736 121.223 -0.069 0.000 2.013 1096 L HA -0.193 4.147 4.340 0.000 0.000 0.212 1096 L C 2.077 178.881 176.870 -0.111 0.000 1.073 1096 L CA 1.742 56.541 54.840 -0.067 0.000 0.753 1096 L CB -0.912 41.112 42.059 -0.058 0.000 0.890 1096 L HN 0.405 nan 8.230 nan 0.000 0.432 1097 L N -0.963 120.163 121.223 -0.162 0.000 2.056 1097 L HA -0.151 4.190 4.340 0.000 0.000 0.207 1097 L C 2.724 179.436 176.870 -0.263 0.000 1.078 1097 L CA 2.014 56.678 54.840 -0.293 0.000 0.749 1097 L CB -0.849 41.039 42.059 -0.285 0.000 0.901 1097 L HN 0.490 nan 8.230 nan 0.000 0.433 1098 S N -0.814 114.781 115.700 -0.174 0.000 2.400 1098 S HA -0.215 4.256 4.470 0.000 0.000 0.232 1098 S C 1.815 176.332 174.600 -0.139 0.000 1.025 1098 S CA 1.657 59.756 58.200 -0.168 0.000 0.993 1098 S CB -0.299 62.804 63.200 -0.161 0.000 0.808 1098 S HN 0.668 nan 8.310 nan 0.000 0.478 1099 E N 0.209 120.353 120.200 -0.094 0.000 2.158 1099 E HA 0.055 4.405 4.350 0.000 0.000 0.191 1099 E C 1.927 178.546 176.600 0.032 0.000 0.982 1099 E CA 0.736 57.112 56.400 -0.039 0.000 0.823 1099 E CB -0.117 29.570 29.700 -0.021 0.000 0.766 1099 E HN 0.476 nan 8.360 nan 0.000 0.468 1100 L N -0.212 121.027 121.223 0.027 0.000 2.418 1100 L HA -0.012 4.329 4.340 0.000 0.000 0.218 1100 L C 1.524 178.628 176.870 0.390 0.000 1.125 1100 L CA 0.352 55.291 54.840 0.165 0.000 0.835 1100 L CB 0.144 42.243 42.059 0.067 0.000 0.953 1100 L HN 0.119 nan 8.230 nan 0.000 0.454 1101 F N -1.140 118.766 119.950 -0.073 0.000 2.653 1101 F HA 0.147 4.674 4.527 0.000 0.000 0.288 1101 F C 1.675 177.140 175.800 -0.558 0.000 1.121 1101 F CA -0.394 57.424 58.000 -0.303 0.000 1.384 1101 F CB -0.596 38.216 39.000 -0.314 0.000 1.115 1101 F HN -0.199 nan 8.300 nan 0.000 0.599 1102 T N 2.418 116.824 114.554 -0.246 0.000 2.939 1102 T HA -0.091 4.259 4.350 0.000 0.000 0.312 1102 T C 1.215 175.738 174.700 -0.294 0.000 1.064 1102 T CA 0.379 62.258 62.100 -0.368 0.000 1.136 1102 T CB 0.238 68.968 68.868 -0.230 0.000 1.035 1102 T HN 0.406 nan 8.240 nan 0.000 0.538 1103 N N 3.872 122.346 118.700 -0.375 0.000 2.205 1103 N HA 0.030 4.770 4.740 0.000 0.000 0.201 1103 N C 0.452 175.847 175.510 -0.191 0.000 1.128 1103 N CA -0.423 52.460 53.050 -0.279 0.000 0.867 1103 N CB 0.089 38.378 38.487 -0.329 0.000 0.996 1103 N HN 0.749 nan 8.380 nan 0.000 0.503 1104 R N 0.986 121.387 120.500 -0.165 0.000 2.546 1104 R HA 0.316 4.656 4.340 0.000 0.000 0.266 1104 R C 1.124 177.387 176.300 -0.061 0.000 1.086 1104 R CA -0.693 55.350 56.100 -0.096 0.000 1.160 1104 R CB 1.043 31.296 30.300 -0.078 0.000 1.138 1104 R HN -0.092 nan 8.270 nan 0.000 0.567 1105 K N 0.585 120.971 120.400 -0.024 0.000 1.971 1105 K HA -0.238 4.082 4.320 0.000 0.000 0.221 1105 K C 0.038 176.635 176.600 -0.004 0.000 1.050 1105 K CA 1.744 58.031 56.287 -0.001 0.000 0.967 1105 K CB -0.533 31.978 32.500 0.018 0.000 0.733 1105 K HN 0.788 nan 8.250 nan 0.000 0.445 1106 E N 1.296 121.491 120.200 -0.008 0.000 2.231 1106 E HA 0.119 4.469 4.350 0.000 0.000 0.277 1106 E C -0.884 175.688 176.600 -0.047 0.000 0.999 1106 E CA -0.983 55.407 56.400 -0.016 0.000 0.827 1106 E CB 0.967 30.664 29.700 -0.004 0.000 1.101 1106 E HN 0.247 nan 8.360 nan 0.000 0.393 1107 N N 3.768 122.435 118.700 -0.055 0.000 2.458 1107 N HA 0.061 4.801 4.740 0.000 0.000 0.270 1107 N C -0.551 174.893 175.510 -0.110 0.000 1.102 1107 N CA -0.527 52.466 53.050 -0.094 0.000 0.967 1107 N CB 0.531 38.971 38.487 -0.078 0.000 1.078 1107 N HN 0.483 nan 8.380 nan 0.000 0.471 1108 I N 5.812 126.274 120.570 -0.180 0.000 2.379 1108 I HA 0.177 4.348 4.170 0.000 0.000 0.290 1108 I C -1.784 174.222 176.117 -0.185 0.000 1.063 1108 I CA -2.266 58.906 61.300 -0.213 0.000 1.351 1108 I CB 0.340 38.059 38.000 -0.468 0.000 1.410 1108 I HN 0.345 nan 8.210 nan 0.000 0.505 1109 P HA 0.224 nan 4.420 nan 0.000 0.270 1109 P C -0.607 176.632 177.300 -0.101 0.000 1.242 1109 P CA -0.057 62.986 63.100 -0.094 0.000 0.768 1109 P CB 0.813 32.477 31.700 -0.059 0.000 0.820 1110 L N 2.946 124.101 121.223 -0.113 0.000 2.375 1110 L HA 0.496 4.836 4.340 0.000 0.000 0.268 1110 L C 0.898 177.716 176.870 -0.087 0.000 1.058 1110 L CA -1.041 53.734 54.840 -0.108 0.000 0.803 1110 L CB 0.793 42.773 42.059 -0.130 0.000 1.212 1110 L HN 0.187 nan 8.230 nan 0.000 0.451 1111 K N 0.931 121.280 120.400 -0.085 0.000 2.123 1111 K HA 0.632 4.952 4.320 0.000 0.000 0.248 1111 K C -1.110 175.430 176.600 -0.100 0.000 0.969 1111 K CA -0.296 55.941 56.287 -0.083 0.000 0.882 1111 K CB 1.215 33.668 32.500 -0.080 0.000 1.080 1111 K HN 0.361 nan 8.250 nan 0.000 0.441 1112 L N 1.437 122.598 121.223 -0.102 0.000 2.317 1112 L HA 0.580 4.920 4.340 0.000 0.000 0.281 1112 L C -0.383 176.398 176.870 -0.148 0.000 1.024 1112 L CA -0.552 54.208 54.840 -0.134 0.000 0.810 1112 L CB 1.773 43.755 42.059 -0.129 0.000 1.240 1112 L HN 0.591 nan 8.230 nan 0.000 0.427 1113 S N 0.960 116.545 115.700 -0.192 0.000 2.558 1113 S HA 0.189 4.659 4.470 0.000 0.000 0.277 1113 S C 0.192 174.636 174.600 -0.260 0.000 1.143 1113 S CA -0.625 57.462 58.200 -0.189 0.000 0.865 1113 S CB 1.489 64.617 63.200 -0.119 0.000 1.102 1113 S HN 0.760 nan 8.310 nan 0.000 0.454 1114 E N 1.134 121.165 120.200 -0.281 0.000 2.268 1114 E HA -0.088 4.262 4.350 0.000 0.000 0.195 1114 E C -0.200 176.284 176.600 -0.193 0.000 0.995 1114 E CA 0.651 56.850 56.400 -0.336 0.000 0.836 1114 E CB 0.021 29.574 29.700 -0.245 0.000 0.763 1114 E HN 0.556 nan 8.360 nan 0.000 0.491 1115 D N 0.443 120.776 120.400 -0.110 0.000 2.508 1115 D HA -0.006 4.634 4.640 0.000 0.000 0.224 1115 D C 0.147 176.520 176.300 0.122 0.000 1.171 1115 D CA -0.258 53.733 54.000 -0.015 0.000 1.006 1115 D CB -0.071 40.742 40.800 0.022 0.000 1.073 1115 D HN 0.176 nan 8.370 nan 0.000 0.513 1116 c N 1.941 120.577 118.600 0.060 0.000 3.785 1116 c HA 0.360 4.931 4.570 0.000 0.000 0.312 1116 c C 0.986 175.161 174.090 0.141 0.000 1.566 1116 c CA -0.644 55.789 56.329 0.174 0.000 1.837 1116 c CB -1.267 41.244 42.510 0.002 0.000 2.826 1116 c HN 0.423 nan 8.230 nan 0.000 0.667 1117 L N 2.552 123.621 121.223 -0.256 0.000 2.388 1117 L HA 0.263 4.603 4.340 0.000 0.000 0.252 1117 L C -0.673 175.659 176.870 -0.896 0.000 1.357 1117 L CA 0.729 55.208 54.840 -0.601 0.000 1.214 1117 L CB -0.973 40.540 42.059 -0.911 0.000 1.392 1117 L HN 0.417 nan 8.230 nan 0.000 0.432 1118 Y N 1.499 121.788 120.300 -0.019 0.000 2.662 1118 Y HA 0.725 5.275 4.550 0.001 0.000 0.335 1118 Y C -0.096 175.964 175.900 0.267 0.000 1.066 1118 Y CA -1.335 56.815 58.100 0.082 0.000 1.116 1118 Y CB 1.766 40.221 38.460 -0.008 0.000 1.308 1118 Y HN 0.125 nan 8.280 nan 0.000 0.502 1119 L N -0.378 121.006 121.223 0.269 0.000 2.465 1119 L HA 0.741 5.082 4.340 0.000 0.000 0.257 1119 L C -1.591 175.302 176.870 0.039 0.000 0.988 1119 L CA -1.104 53.805 54.840 0.114 0.000 0.827 1119 L CB 1.855 43.866 42.059 -0.080 0.000 1.397 1119 L HN 0.395 nan 8.230 nan 0.000 0.410 1120 N N 1.941 120.687 118.700 0.076 0.000 2.361 1120 N HA 0.738 5.478 4.740 0.000 0.000 0.302 1120 N C -1.139 174.348 175.510 -0.039 0.000 1.074 1120 N CA -0.225 52.831 53.050 0.010 0.000 0.850 1120 N CB 2.465 41.015 38.487 0.105 0.000 1.228 1120 N HN 0.699 nan 8.380 nan 0.000 0.491 1121 I N 1.637 122.103 120.570 -0.174 0.000 2.509 1121 I HA 0.331 4.501 4.170 0.000 0.000 0.293 1121 I C -1.086 174.906 176.117 -0.208 0.000 1.020 1121 I CA -0.783 60.454 61.300 -0.105 0.000 1.088 1121 I CB 1.358 39.217 38.000 -0.235 0.000 1.267 1121 I HN 0.347 nan 8.210 nan 0.000 0.430 1122 Y N 3.143 123.567 120.300 0.206 0.000 2.426 1122 Y HA 0.335 4.885 4.550 0.000 0.000 0.325 1122 Y C 0.253 176.278 175.900 0.209 0.000 0.989 1122 Y CA -0.656 57.567 58.100 0.205 0.000 1.284 1122 Y CB 1.942 40.502 38.460 0.167 0.000 1.104 1122 Y HN 0.367 nan 8.280 nan 0.000 0.481 1123 T N 5.095 119.862 114.554 0.354 0.000 2.770 1123 T HA 0.327 4.677 4.350 0.000 0.000 0.283 1123 T C -2.042 172.819 174.700 0.268 0.000 0.988 1123 T CA -2.311 59.976 62.100 0.311 0.000 0.957 1123 T CB 1.223 70.310 68.868 0.366 0.000 0.930 1123 T HN 0.343 nan 8.240 nan 0.000 0.443 1124 P HA 0.256 nan 4.420 nan 0.000 0.251 1124 P C 0.281 177.674 177.300 0.155 0.000 1.223 1124 P CA -0.129 63.063 63.100 0.154 0.000 0.796 1124 P CB 0.119 31.874 31.700 0.092 0.000 1.068 1125 A N 1.144 124.067 122.820 0.171 0.000 2.462 1125 A HA 0.107 4.427 4.320 0.000 0.000 0.243 1125 A C 0.080 177.762 177.584 0.164 0.000 1.076 1125 A CA -0.036 52.090 52.037 0.148 0.000 0.773 1125 A CB -0.455 18.631 19.000 0.143 0.000 1.010 1125 A HN -0.038 nan 8.150 nan 0.000 0.493 1126 D N 2.468 122.942 120.400 0.123 0.000 2.416 1126 D HA 0.190 4.830 4.640 0.000 0.000 0.240 1126 D C 1.036 177.410 176.300 0.125 0.000 1.250 1126 D CA 0.026 54.097 54.000 0.119 0.000 0.967 1126 D CB -0.239 40.603 40.800 0.070 0.000 1.059 1126 D HN 0.444 nan 8.370 nan 0.000 0.512 1127 L N 2.548 123.876 121.223 0.174 0.000 2.270 1127 L HA -0.227 4.113 4.340 0.000 0.000 0.217 1127 L C 2.466 179.394 176.870 0.096 0.000 1.107 1127 L CA 1.603 56.528 54.840 0.141 0.000 0.772 1127 L CB -0.832 41.337 42.059 0.185 0.000 0.902 1127 L HN 0.534 nan 8.230 nan 0.000 0.439 1128 T N -2.993 111.621 114.554 0.100 0.000 3.007 1128 T HA -0.078 4.272 4.350 0.000 0.000 0.270 1128 T C 0.813 175.540 174.700 0.046 0.000 1.107 1128 T CA 0.605 62.746 62.100 0.069 0.000 1.118 1128 T CB -0.017 68.888 68.868 0.062 0.000 0.889 1128 T HN 0.278 nan 8.240 nan 0.000 0.506 1129 K N 0.686 121.114 120.400 0.047 0.000 2.340 1129 K HA 0.425 4.746 4.320 0.000 0.000 0.244 1129 K C -0.815 175.804 176.600 0.031 0.000 0.973 1129 K CA -1.057 55.249 56.287 0.033 0.000 0.828 1129 K CB 1.977 34.496 32.500 0.031 0.000 1.226 1129 K HN -0.010 nan 8.250 nan 0.000 0.437 1130 K N 2.502 122.914 120.400 0.020 0.000 2.382 1130 K HA 0.032 4.352 4.320 0.000 0.000 0.286 1130 K C -0.891 175.723 176.600 0.024 0.000 1.062 1130 K CA 0.278 56.574 56.287 0.016 0.000 1.000 1130 K CB 0.151 32.654 32.500 0.006 0.000 0.954 1130 K HN 0.465 nan 8.250 nan 0.000 0.470 1131 N N 3.770 122.490 118.700 0.033 0.000 2.238 1131 N HA 0.353 5.093 4.740 0.000 0.000 0.302 1131 N C -1.050 174.484 175.510 0.041 0.000 1.072 1131 N CA -0.738 52.337 53.050 0.042 0.000 0.792 1131 N CB 1.727 40.252 38.487 0.063 0.000 1.425 1131 N HN 0.445 nan 8.380 nan 0.000 0.478 1132 R N 2.061 122.581 120.500 0.034 0.000 2.644 1132 R HA 0.371 4.712 4.340 0.000 0.000 0.271 1132 R C -0.435 175.881 176.300 0.027 0.000 1.687 1132 R CA -0.310 55.806 56.100 0.027 0.000 1.655 1132 R CB 0.329 30.633 30.300 0.007 0.000 1.285 1132 R HN 0.512 nan 8.270 nan 0.000 0.643 1133 L N 2.299 123.551 121.223 0.048 0.000 2.456 1133 L HA 0.462 4.802 4.340 0.000 0.000 0.257 1133 L C -1.645 175.249 176.870 0.040 0.000 1.162 1133 L CA -1.943 52.924 54.840 0.045 0.000 0.808 1133 L CB 0.374 42.474 42.059 0.069 0.000 1.136 1133 L HN 0.012 nan 8.230 nan 0.000 0.466 1134 P HA 0.071 nan 4.420 nan 0.000 0.271 1134 P C -0.871 176.462 177.300 0.054 0.000 1.218 1134 P CA -0.116 62.993 63.100 0.015 0.000 0.780 1134 P CB 1.063 32.758 31.700 -0.008 0.000 0.901 1135 V N 4.335 124.292 119.914 0.070 0.000 2.483 1135 V HA 0.418 4.538 4.120 0.000 0.000 0.295 1135 V C 0.595 176.769 176.094 0.134 0.000 1.035 1135 V CA -0.417 61.955 62.300 0.121 0.000 0.896 1135 V CB 1.251 33.159 31.823 0.142 0.000 0.986 1135 V HN 0.490 nan 8.190 nan 0.000 0.447 1136 M N 4.410 124.120 119.600 0.183 0.000 2.093 1136 M HA 0.451 4.931 4.480 0.000 0.000 0.297 1136 M C -1.200 175.401 176.300 0.500 0.000 0.938 1136 M CA -0.530 54.913 55.300 0.239 0.000 0.920 1136 M CB 1.947 34.575 32.600 0.046 0.000 1.517 1136 M HN 0.369 nan 8.290 nan 0.000 0.427 1137 V N 3.306 123.509 119.914 0.482 0.000 2.406 1137 V HA 0.280 4.401 4.120 0.000 0.000 0.272 1137 V C -0.543 175.811 176.094 0.433 0.000 1.043 1137 V CA -0.473 62.064 62.300 0.395 0.000 0.915 1137 V CB 1.013 32.954 31.823 0.196 0.000 0.988 1137 V HN 0.841 nan 8.190 nan 0.000 0.466 1138 W N 6.960 128.297 121.300 0.062 0.000 2.361 1138 W HA 0.600 5.260 4.660 0.001 0.000 0.309 1138 W C -1.244 175.133 176.519 -0.237 0.000 1.122 1138 W CA -0.954 56.170 57.345 -0.369 0.000 1.208 1138 W CB 1.303 30.530 29.460 -0.387 0.000 1.246 1138 W HN 0.434 nan 8.180 nan 0.000 0.490 1139 I N 7.344 127.236 120.570 -1.130 0.000 2.330 1139 I HA 0.025 4.195 4.170 0.000 0.000 0.286 1139 I C 0.457 175.801 176.117 -1.288 0.000 1.025 1139 I CA -0.812 59.957 61.300 -0.885 0.000 1.197 1139 I CB 0.762 38.383 38.000 -0.631 0.000 1.358 1139 I HN 0.459 nan 8.210 nan 0.000 0.467 1140 H N 4.598 123.234 119.070 -0.724 0.000 2.757 1140 H HA 0.538 5.094 4.556 0.001 0.000 0.370 1140 H C 0.347 175.634 175.328 -0.068 0.000 1.172 1140 H CA -0.389 55.421 56.048 -0.398 0.000 1.426 1140 H CB 0.518 30.318 29.762 0.062 0.000 1.438 1140 H HN 0.547 nan 8.280 nan 0.000 0.612 1141 G N -1.372 107.632 108.800 0.340 0.000 2.642 1141 G HA2 0.503 4.464 3.960 0.000 0.000 0.291 1141 G HA3 0.503 4.464 3.960 0.000 0.000 0.291 1141 G C 0.232 175.428 174.900 0.494 0.000 1.345 1141 G CA -1.069 44.238 45.100 0.346 0.000 1.043 1141 G HN 1.475 nan 8.290 nan 0.000 0.528 1142 G N -2.618 106.391 108.800 0.347 0.000 2.321 1142 G HA2 0.419 4.379 3.960 0.000 0.000 0.219 1142 G HA3 0.419 4.379 3.960 0.000 0.000 0.219 1142 G C 0.965 175.968 174.900 0.173 0.000 1.057 1142 G CA 0.685 45.935 45.100 0.250 0.000 0.849 1142 G HN 2.276 nan 8.290 nan 0.000 0.520 1143 G N 0.117 109.013 108.800 0.159 0.000 2.296 1143 G HA2 -0.183 3.777 3.960 0.000 0.000 0.282 1143 G HA3 -0.183 3.777 3.960 0.000 0.000 0.282 1143 G C 1.183 176.081 174.900 -0.002 0.000 1.014 1143 G CA 0.733 45.877 45.100 0.072 0.000 0.812 1143 G HN 1.783 nan 8.290 nan 0.000 0.508 1144 L N -3.516 117.738 121.223 0.052 0.000 4.429 1144 L HA -0.271 4.069 4.340 0.000 0.000 0.422 1144 L C 1.870 178.793 176.870 0.089 0.000 1.149 1144 L CA 1.580 56.435 54.840 0.025 0.000 0.972 1144 L CB -1.309 40.477 42.059 -0.455 0.000 2.059 1144 L HN 0.479 nan 8.230 nan 0.000 0.870 1145 M N -1.408 118.244 119.600 0.088 0.000 2.296 1145 M HA 0.326 4.807 4.480 0.000 0.000 0.291 1145 M C 0.557 176.924 176.300 0.111 0.000 1.013 1145 M CA 0.822 56.176 55.300 0.091 0.000 1.089 1145 M CB 0.936 33.555 32.600 0.031 0.000 1.677 1145 M HN 0.193 nan 8.290 nan 0.000 0.584 1146 V N -2.875 117.101 119.914 0.103 0.000 3.202 1146 V HA 1.053 5.174 4.120 0.000 0.000 0.306 1146 V C -0.268 175.861 176.094 0.060 0.000 1.283 1146 V CA -0.367 61.967 62.300 0.056 0.000 1.065 1146 V CB 1.244 33.084 31.823 0.028 0.000 1.079 1146 V HN 0.433 nan 8.190 nan 0.000 0.448 1147 G N -0.813 107.938 108.800 -0.082 0.000 2.406 1147 G HA2 0.632 4.593 3.960 0.000 0.000 0.680 1147 G HA3 0.632 4.593 3.960 0.000 0.000 0.680 1147 G C -0.723 173.775 174.900 -0.670 0.000 1.338 1147 G CA -0.090 44.800 45.100 -0.350 0.000 0.941 1147 G HN 2.664 nan 8.290 nan 0.000 0.633 1148 A N -0.906 121.386 122.820 -0.881 0.000 2.612 1148 A HA 1.042 5.362 4.320 0.000 0.000 0.293 1148 A C 0.715 178.218 177.584 -0.134 0.000 1.075 1148 A CA 0.633 52.411 52.037 -0.432 0.000 0.680 1148 A CB 0.917 19.797 19.000 -0.200 0.000 1.279 1148 A HN 2.542 nan 8.150 nan 0.000 0.411 1149 A N 0.241 123.143 122.820 0.136 0.000 1.935 1149 A HA 0.171 4.491 4.320 0.000 0.000 0.214 1149 A C 1.942 179.697 177.584 0.284 0.000 1.178 1149 A CA 2.094 54.327 52.037 0.327 0.000 0.640 1149 A CB -0.751 18.446 19.000 0.328 0.000 0.825 1149 A HN 1.184 nan 8.150 nan 0.000 0.447 1150 S N 0.089 115.874 115.700 0.142 0.000 2.465 1150 S HA -0.133 4.337 4.470 0.000 0.000 0.241 1150 S C 1.828 176.359 174.600 -0.115 0.000 1.000 1150 S CA 1.588 59.809 58.200 0.034 0.000 0.964 1150 S CB -0.550 62.545 63.200 -0.176 0.000 0.763 1150 S HN 0.671 nan 8.310 nan 0.000 0.512 1151 T N 0.915 115.405 114.554 -0.107 0.000 2.759 1151 T HA -0.084 4.267 4.350 0.000 0.000 0.269 1151 T C -0.004 174.389 174.700 -0.513 0.000 1.042 1151 T CA 1.097 63.001 62.100 -0.328 0.000 1.140 1151 T CB -0.294 68.323 68.868 -0.419 0.000 0.864 1151 T HN 0.422 nan 8.240 nan 0.000 0.455 1152 Y N 1.922 122.037 120.300 -0.310 0.000 2.404 1152 Y HA 0.436 4.987 4.550 0.001 0.000 0.344 1152 Y C 0.136 175.757 175.900 -0.466 0.000 0.970 1152 Y CA -2.201 55.504 58.100 -0.658 0.000 1.180 1152 Y CB 0.205 37.964 38.460 -1.169 0.000 1.138 1152 Y HN -0.062 nan 8.280 nan 0.000 0.510 1153 D N 2.042 122.241 120.400 -0.335 0.000 2.264 1153 D HA 0.220 4.861 4.640 0.000 0.000 0.250 1153 D C 0.930 176.965 176.300 -0.442 0.000 1.113 1153 D CA -0.100 53.724 54.000 -0.293 0.000 0.871 1153 D CB 1.716 42.426 40.800 -0.150 0.000 1.167 1153 D HN 0.813 nan 8.370 nan 0.000 0.447 1154 G N 2.981 111.103 108.800 -1.131 0.000 3.088 1154 G HA2 -0.084 3.876 3.960 0.000 0.000 0.217 1154 G HA3 -0.084 3.876 3.960 0.000 0.000 0.217 1154 G C 1.337 175.952 174.900 -0.475 0.000 1.159 1154 G CA -0.096 44.557 45.100 -0.745 0.000 0.760 1154 G HN 0.481 nan 8.290 nan 0.000 0.550 1155 L N 1.809 122.783 121.223 -0.414 0.000 1.997 1155 L HA -0.107 4.234 4.340 0.000 0.000 0.216 1155 L C 2.848 179.670 176.870 -0.080 0.000 1.074 1155 L CA 2.634 57.438 54.840 -0.060 0.000 0.763 1155 L CB -0.698 41.378 42.059 0.028 0.000 0.890 1155 L HN 0.210 nan 8.230 nan 0.000 0.434 1156 A N -0.866 121.913 122.820 -0.069 0.000 1.841 1156 A HA -0.184 4.137 4.320 0.000 0.000 0.214 1156 A C 2.247 179.778 177.584 -0.087 0.000 1.195 1156 A CA 1.823 53.826 52.037 -0.056 0.000 0.611 1156 A CB -1.183 17.829 19.000 0.021 0.000 0.835 1156 A HN 0.503 nan 8.150 nan 0.000 0.443 1157 L N -0.008 121.167 121.223 -0.080 0.000 2.042 1157 L HA -0.136 4.204 4.340 0.000 0.000 0.210 1157 L C 2.644 179.489 176.870 -0.041 0.000 1.076 1157 L CA 2.363 57.153 54.840 -0.083 0.000 0.749 1157 L CB -0.922 41.061 42.059 -0.126 0.000 0.893 1157 L HN 0.377 nan 8.230 nan 0.000 0.432 1158 A N -0.653 122.155 122.820 -0.019 0.000 1.908 1158 A HA -0.116 4.204 4.320 0.000 0.000 0.218 1158 A C 2.423 179.984 177.584 -0.038 0.000 1.181 1158 A CA 2.147 54.202 52.037 0.030 0.000 0.627 1158 A CB -1.157 17.914 19.000 0.119 0.000 0.818 1158 A HN 0.604 nan 8.150 nan 0.000 0.445 1159 A N -1.708 121.001 122.820 -0.185 0.000 1.855 1159 A HA -0.099 4.221 4.320 0.000 0.000 0.213 1159 A C 2.079 179.418 177.584 -0.408 0.000 1.195 1159 A CA 1.302 53.075 52.037 -0.439 0.000 0.610 1159 A CB -0.946 17.472 19.000 -0.970 0.000 0.837 1159 A HN 0.632 nan 8.150 nan 0.000 0.444 1160 H N -0.513 118.296 119.070 -0.435 0.000 2.387 1160 H HA -0.062 4.495 4.556 0.000 0.000 0.299 1160 H C 0.889 176.215 175.328 -0.003 0.000 1.099 1160 H CA 1.661 57.639 56.048 -0.116 0.000 1.315 1160 H CB 0.308 29.907 29.762 -0.272 0.000 1.380 1160 H HN 0.417 nan 8.280 nan 0.000 0.513 1161 E N 0.008 120.251 120.200 0.070 0.000 2.583 1161 E HA 0.006 4.356 4.350 0.000 0.000 0.213 1161 E C -0.067 176.563 176.600 0.050 0.000 0.989 1161 E CA -0.298 56.138 56.400 0.059 0.000 0.991 1161 E CB 0.081 29.805 29.700 0.040 0.000 1.040 1161 E HN 0.310 nan 8.360 nan 0.000 0.481 1162 N N 1.088 119.816 118.700 0.047 0.000 2.667 1162 N HA -0.161 4.579 4.740 0.000 0.000 0.263 1162 N C -0.715 174.830 175.510 0.058 0.000 1.038 1162 N CA 0.910 53.994 53.050 0.056 0.000 0.749 1162 N CB -0.907 37.617 38.487 0.063 0.000 0.892 1162 N HN 0.042 nan 8.380 nan 0.000 0.546 1163 V N -2.330 117.623 119.914 0.065 0.000 3.049 1163 V HA 0.644 4.764 4.120 0.000 0.000 0.309 1163 V C 0.288 176.453 176.094 0.117 0.000 1.148 1163 V CA -1.033 61.312 62.300 0.076 0.000 0.990 1163 V CB 2.213 34.068 31.823 0.053 0.000 1.039 1163 V HN -0.098 nan 8.190 nan 0.000 0.430 1164 V N 3.251 123.248 119.914 0.139 0.000 2.455 1164 V HA 0.381 4.501 4.120 0.000 0.000 0.273 1164 V C 0.238 176.466 176.094 0.223 0.000 1.045 1164 V CA -0.210 62.204 62.300 0.191 0.000 0.976 1164 V CB 1.109 33.044 31.823 0.187 0.000 0.993 1164 V HN 0.727 nan 8.190 nan 0.000 0.475 1165 V N 6.196 126.285 119.914 0.291 0.000 2.394 1165 V HA 0.432 4.552 4.120 0.000 0.000 0.282 1165 V C -0.053 176.299 176.094 0.429 0.000 1.031 1165 V CA -0.458 62.061 62.300 0.365 0.000 0.881 1165 V CB 1.742 33.772 31.823 0.344 0.000 0.982 1165 V HN 0.604 nan 8.190 nan 0.000 0.451 1166 V N 4.198 124.350 119.914 0.398 0.000 2.407 1166 V HA 0.467 4.587 4.120 0.000 0.000 0.291 1166 V C 0.201 176.509 176.094 0.358 0.000 1.018 1166 V CA -0.506 61.986 62.300 0.320 0.000 0.842 1166 V CB 2.119 34.071 31.823 0.215 0.000 0.996 1166 V HN 0.996 nan 8.190 nan 0.000 0.426 1167 T N 3.855 118.626 114.554 0.362 0.000 2.756 1167 T HA 0.763 5.113 4.350 0.000 0.000 0.290 1167 T C -0.324 174.529 174.700 0.255 0.000 0.985 1167 T CA -0.460 61.864 62.100 0.373 0.000 0.955 1167 T CB 0.927 70.057 68.868 0.437 0.000 0.930 1167 T HN 0.615 nan 8.240 nan 0.000 0.451 1168 I N 0.432 121.114 120.570 0.186 0.000 2.947 1168 I HA 0.682 4.853 4.170 0.000 0.000 0.314 1168 I C -0.483 175.794 176.117 0.266 0.000 1.028 1168 I CA -1.281 60.098 61.300 0.132 0.000 1.077 1168 I CB 1.708 39.668 38.000 -0.067 0.000 1.274 1168 I HN 0.524 nan 8.210 nan 0.000 0.485 1169 Q N 1.370 121.372 119.800 0.336 0.000 2.458 1169 Q HA 0.579 4.919 4.340 0.000 0.000 0.282 1169 Q C -1.934 174.332 176.000 0.444 0.000 1.106 1169 Q CA -0.817 55.202 55.803 0.360 0.000 0.814 1169 Q CB 2.908 31.820 28.738 0.289 0.000 1.425 1169 Q HN 0.729 nan 8.270 nan 0.000 0.437 1170 Y N -2.755 117.672 120.300 0.211 0.000 2.552 1170 Y HA 0.512 5.062 4.550 0.001 0.000 0.337 1170 Y C -0.924 175.052 175.900 0.126 0.000 1.094 1170 Y CA -1.414 56.784 58.100 0.163 0.000 1.028 1170 Y CB 0.788 39.296 38.460 0.080 0.000 1.321 1170 Y HN 0.428 nan 8.280 nan 0.000 0.456 1171 R N 2.262 122.857 120.500 0.159 0.000 2.566 1171 R HA 0.273 4.613 4.340 0.000 0.000 0.273 1171 R C -0.870 175.514 176.300 0.140 0.000 0.981 1171 R CA 0.379 56.530 56.100 0.085 0.000 1.091 1171 R CB 0.161 30.519 30.300 0.097 0.000 0.924 1171 R HN 0.698 nan 8.270 nan 0.000 0.411 1172 L N 1.296 122.629 121.223 0.183 0.000 2.286 1172 L HA 0.479 4.819 4.340 0.000 0.000 0.265 1172 L C 1.326 178.484 176.870 0.480 0.000 1.012 1172 L CA -0.375 54.666 54.840 0.335 0.000 0.818 1172 L CB 1.581 43.743 42.059 0.171 0.000 1.337 1172 L HN 0.902 nan 8.230 nan 0.000 0.438 1173 G N 0.582 109.666 108.800 0.473 0.000 2.627 1173 G HA2 -0.343 3.617 3.960 0.000 0.000 0.312 1173 G HA3 -0.343 3.617 3.960 0.000 0.000 0.312 1173 G C 0.894 176.038 174.900 0.407 0.000 1.299 1173 G CA 0.694 46.008 45.100 0.357 0.000 0.989 1173 G HN 0.649 nan 8.290 nan 0.000 0.547 1174 I N -0.643 120.084 120.570 0.260 0.000 2.118 1174 I HA -0.223 3.947 4.170 0.000 0.000 0.241 1174 I C 2.847 179.161 176.117 0.328 0.000 1.070 1174 I CA 2.513 63.925 61.300 0.186 0.000 1.327 1174 I CB -0.392 37.476 38.000 -0.220 0.000 1.034 1174 I HN 0.575 nan 8.210 nan 0.000 0.405 1175 W N 0.686 122.127 121.300 0.234 0.000 2.313 1175 W HA -0.156 4.504 4.660 0.001 0.000 0.293 1175 W C 2.181 178.773 176.519 0.122 0.000 1.216 1175 W CA 1.365 58.742 57.345 0.052 0.000 1.223 1175 W CB -0.822 28.608 29.460 -0.049 0.000 1.138 1175 W HN 0.284 nan 8.180 nan 0.000 0.535 1176 G N -3.007 105.998 108.800 0.341 0.000 3.192 1176 G HA2 0.176 4.137 3.960 0.000 0.000 0.239 1176 G HA3 0.176 4.137 3.960 0.000 0.000 0.239 1176 G C 0.361 174.841 174.900 -0.699 0.000 1.084 1176 G CA -0.098 44.958 45.100 -0.073 0.000 0.784 1176 G HN 0.099 nan 8.290 nan 0.000 0.540 1177 F N -0.777 119.409 119.950 0.393 0.000 2.936 1177 F HA 0.391 4.918 4.527 0.000 0.000 0.334 1177 F C 0.012 175.903 175.800 0.152 0.000 1.170 1177 F CA -1.660 56.420 58.000 0.135 0.000 1.104 1177 F CB 0.237 39.256 39.000 0.031 0.000 1.216 1177 F HN 0.021 nan 8.300 nan 0.000 0.518 1178 F N 2.292 122.446 119.950 0.340 0.000 2.502 1178 F HA 0.451 4.979 4.527 0.001 0.000 0.371 1178 F C 0.369 176.267 175.800 0.163 0.000 1.083 1178 F CA -0.024 58.101 58.000 0.208 0.000 1.174 1178 F CB 0.454 39.518 39.000 0.106 0.000 1.096 1178 F HN -0.088 nan 8.300 nan 0.000 0.545 1179 S N 3.681 119.026 115.700 -0.593 0.000 2.521 1179 S HA 0.357 4.827 4.470 0.000 0.000 0.295 1179 S C 0.477 174.712 174.600 -0.609 0.000 1.098 1179 S CA -0.079 57.851 58.200 -0.449 0.000 0.999 1179 S CB 1.329 64.373 63.200 -0.260 0.000 1.034 1179 S HN 0.797 nan 8.310 nan 0.000 0.483 1180 T N 0.930 115.269 114.554 -0.359 0.000 3.086 1180 T HA 0.389 4.739 4.350 0.000 0.000 0.250 1180 T C 1.484 176.120 174.700 -0.107 0.000 1.074 1180 T CA 0.551 62.517 62.100 -0.223 0.000 0.988 1180 T CB -0.139 68.719 68.868 -0.016 0.000 0.988 1180 T HN 1.682 nan 8.240 nan 0.000 0.530 1181 G N 2.073 110.805 108.800 -0.114 0.000 2.205 1181 G HA2 -0.234 3.726 3.960 0.000 0.000 0.261 1181 G HA3 -0.234 3.726 3.960 0.000 0.000 0.261 1181 G C -0.220 174.657 174.900 -0.038 0.000 0.980 1181 G CA 0.371 45.426 45.100 -0.074 0.000 0.632 1181 G HN 0.898 nan 8.290 nan 0.000 0.533 1182 D N -1.216 119.178 120.400 -0.009 0.000 2.758 1182 D HA 0.474 5.114 4.640 0.000 0.000 0.279 1182 D C 1.348 177.634 176.300 -0.023 0.000 1.111 1182 D CA -0.093 53.901 54.000 -0.009 0.000 1.109 1182 D CB -0.184 40.632 40.800 0.028 0.000 1.428 1182 D HN 0.139 nan 8.370 nan 0.000 0.586 1183 E N -0.220 119.911 120.200 -0.115 0.000 2.333 1183 E HA -0.242 4.108 4.350 0.000 0.000 0.198 1183 E C 0.762 177.293 176.600 -0.115 0.000 1.007 1183 E CA 1.155 57.476 56.400 -0.132 0.000 0.845 1183 E CB -0.600 28.978 29.700 -0.203 0.000 0.766 1183 E HN 0.505 nan 8.360 nan 0.000 0.507 1184 H N 0.346 119.481 119.070 0.108 0.000 2.547 1184 H HA 0.167 4.723 4.556 0.001 0.000 0.272 1184 H C 0.377 175.829 175.328 0.208 0.000 0.989 1184 H CA 1.049 57.175 56.048 0.131 0.000 1.214 1184 H CB 0.459 30.280 29.762 0.097 0.000 1.389 1184 H HN 0.137 nan 8.280 nan 0.000 0.577 1185 S N -0.407 115.492 115.700 0.332 0.000 2.949 1185 S HA 0.100 4.570 4.470 0.000 0.000 0.136 1185 S C 0.950 175.746 174.600 0.327 0.000 0.855 1185 S CA -0.532 57.986 58.200 0.530 0.000 0.869 1185 S CB -0.190 63.316 63.200 0.509 0.000 1.577 1185 S HN 0.204 nan 8.310 nan 0.000 0.602 1186 R N 1.229 121.834 120.500 0.175 0.000 2.133 1186 R HA 0.037 4.377 4.340 0.000 0.000 0.245 1186 R C 1.492 177.565 176.300 -0.378 0.000 1.137 1186 R CA 1.790 57.824 56.100 -0.111 0.000 0.947 1186 R CB -0.403 29.824 30.300 -0.121 0.000 0.865 1186 R HN 0.912 nan 8.270 nan 0.000 0.437 1187 G N -1.228 106.947 108.800 -1.041 0.000 2.396 1187 G HA2 -0.201 3.759 3.960 0.000 0.000 0.254 1187 G HA3 -0.201 3.759 3.960 0.000 0.000 0.254 1187 G C -0.591 173.524 174.900 -1.308 0.000 1.248 1187 G CA -0.311 44.005 45.100 -1.308 0.000 1.033 1187 G HN 0.250 nan 8.290 nan 0.000 0.502 1188 N N -1.070 117.232 118.700 -0.663 0.000 2.741 1188 N HA -0.207 4.533 4.740 0.000 0.000 0.251 1188 N C 1.259 176.561 175.510 -0.346 0.000 1.112 1188 N CA 2.020 54.921 53.050 -0.248 0.000 0.750 1188 N CB -1.618 36.852 38.487 -0.029 0.000 1.119 1188 N HN 0.716 nan 8.380 nan 0.000 0.561 1189 W N 0.559 121.769 121.300 -0.150 0.000 2.305 1189 W HA -0.184 4.476 4.660 0.001 0.000 0.308 1189 W C 2.500 178.902 176.519 -0.195 0.000 1.226 1189 W CA 0.898 58.171 57.345 -0.120 0.000 1.253 1189 W CB -0.809 28.599 29.460 -0.086 0.000 1.146 1189 W HN 0.292 nan 8.180 nan 0.000 0.507 1190 G N -0.125 108.441 108.800 -0.390 0.000 2.446 1190 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 1190 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 1190 G C 1.218 176.066 174.900 -0.086 0.000 1.168 1190 G CA 1.441 46.379 45.100 -0.269 0.000 0.771 1190 G HN 0.307 nan 8.290 nan 0.000 0.551 1191 H N 0.360 119.443 119.070 0.021 0.000 2.387 1191 H HA 0.069 4.626 4.556 0.001 0.000 0.299 1191 H C 2.726 178.059 175.328 0.008 0.000 1.090 1191 H CA 0.896 56.940 56.048 -0.007 0.000 1.332 1191 H CB -0.246 29.528 29.762 0.020 0.000 1.386 1191 H HN 0.287 nan 8.280 nan 0.000 0.516 1192 L N 0.367 121.688 121.223 0.163 0.000 2.141 1192 L HA -0.139 4.201 4.340 0.000 0.000 0.209 1192 L C 2.032 179.016 176.870 0.190 0.000 1.094 1192 L CA 0.838 55.779 54.840 0.169 0.000 0.763 1192 L CB -0.214 41.970 42.059 0.208 0.000 0.908 1192 L HN 0.094 nan 8.230 nan 0.000 0.437 1193 D N 0.047 120.575 120.400 0.212 0.000 2.117 1193 D HA -0.181 4.459 4.640 0.000 0.000 0.197 1193 D C 2.294 178.742 176.300 0.247 0.000 0.987 1193 D CA 1.126 55.322 54.000 0.328 0.000 0.829 1193 D CB -0.129 40.893 40.800 0.369 0.000 0.961 1193 D HN 0.432 nan 8.370 nan 0.000 0.460 1194 Q N 0.280 120.132 119.800 0.087 0.000 2.084 1194 Q HA -0.081 4.260 4.340 0.000 0.000 0.202 1194 Q C 2.412 178.382 176.000 -0.050 0.000 0.978 1194 Q CA 0.829 56.593 55.803 -0.066 0.000 0.844 1194 Q CB -0.018 28.618 28.738 -0.169 0.000 0.898 1194 Q HN 0.146 nan 8.270 nan 0.000 0.426 1195 V N 1.147 121.079 119.914 0.030 0.000 2.358 1195 V HA -0.268 3.852 4.120 0.000 0.000 0.246 1195 V C 2.307 178.451 176.094 0.084 0.000 1.047 1195 V CA 1.742 64.076 62.300 0.056 0.000 1.035 1195 V CB -0.979 30.897 31.823 0.089 0.000 0.658 1195 V HN 0.408 nan 8.190 nan 0.000 0.452 1196 A N 0.124 123.030 122.820 0.143 0.000 1.908 1196 A HA -0.159 4.162 4.320 0.000 0.000 0.218 1196 A C 2.424 180.095 177.584 0.145 0.000 1.181 1196 A CA 2.184 54.364 52.037 0.238 0.000 0.627 1196 A CB -0.790 18.460 19.000 0.416 0.000 0.818 1196 A HN 0.578 nan 8.150 nan 0.000 0.445 1197 A N -0.492 122.173 122.820 -0.257 0.000 1.933 1197 A HA -0.001 4.319 4.320 0.000 0.000 0.218 1197 A C 2.158 179.670 177.584 -0.120 0.000 1.175 1197 A CA 1.416 53.040 52.037 -0.689 0.000 0.628 1197 A CB -0.529 17.782 19.000 -1.148 0.000 0.814 1197 A HN 0.477 nan 8.150 nan 0.000 0.444 1198 L N -0.988 120.213 121.223 -0.037 0.000 2.093 1198 L HA -0.163 4.177 4.340 0.000 0.000 0.208 1198 L C 2.858 179.800 176.870 0.120 0.000 1.085 1198 L CA 1.085 55.961 54.840 0.061 0.000 0.755 1198 L CB -0.434 41.663 42.059 0.063 0.000 0.904 1198 L HN 0.359 nan 8.230 nan 0.000 0.435 1199 R N -1.006 119.573 120.500 0.131 0.000 2.096 1199 R HA -0.226 4.115 4.340 0.000 0.000 0.235 1199 R C 2.043 178.432 176.300 0.149 0.000 1.127 1199 R CA 1.809 57.986 56.100 0.129 0.000 0.968 1199 R CB -0.655 29.728 30.300 0.139 0.000 0.861 1199 R HN 0.434 nan 8.270 nan 0.000 0.440 1200 W N 1.493 122.827 121.300 0.057 0.000 2.338 1200 W HA -0.224 4.436 4.660 0.000 0.000 0.304 1200 W C 1.917 178.467 176.519 0.050 0.000 1.212 1200 W CA 1.357 58.749 57.345 0.079 0.000 1.264 1200 W CB -0.181 29.354 29.460 0.125 0.000 1.142 1200 W HN -0.238 nan 8.180 nan 0.000 0.512 1201 V N 0.985 121.090 119.914 0.318 0.000 2.332 1201 V HA -0.356 3.764 4.120 0.000 0.000 0.248 1201 V C 2.475 178.564 176.094 -0.008 0.000 1.055 1201 V CA 2.119 64.530 62.300 0.184 0.000 1.038 1201 V CB -1.066 30.890 31.823 0.223 0.000 0.651 1201 V HN 0.227 nan 8.190 nan 0.000 0.450 1202 Q N -0.276 119.533 119.800 0.015 0.000 2.291 1202 Q HA -0.153 4.188 4.340 0.000 0.000 0.206 1202 Q C 1.351 177.296 176.000 -0.093 0.000 0.976 1202 Q CA 1.169 56.968 55.803 -0.006 0.000 0.875 1202 Q CB -0.316 28.436 28.738 0.025 0.000 0.927 1202 Q HN 0.665 nan 8.270 nan 0.000 0.450 1203 D N -0.811 119.469 120.400 -0.199 0.000 2.395 1203 D HA 0.113 4.753 4.640 0.000 0.000 0.213 1203 D C 0.727 176.775 176.300 -0.419 0.000 1.110 1203 D CA 0.051 53.889 54.000 -0.270 0.000 0.835 1203 D CB 0.439 41.078 40.800 -0.268 0.000 0.965 1203 D HN 0.226 nan 8.370 nan 0.000 0.505 1204 N N -0.222 118.164 118.700 -0.523 0.000 2.072 1204 N HA -0.017 4.724 4.740 0.000 0.000 0.246 1204 N C 1.520 176.929 175.510 -0.168 0.000 1.215 1204 N CA -0.220 52.495 53.050 -0.559 0.000 0.799 1204 N CB 0.835 38.467 38.487 -1.424 0.000 1.407 1204 N HN -0.067 nan 8.380 nan 0.000 0.489 1205 I N 3.064 123.562 120.570 -0.120 0.000 2.300 1205 I HA -0.198 3.972 4.170 0.000 0.000 0.252 1205 I C 2.164 178.394 176.117 0.189 0.000 1.119 1205 I CA 1.017 62.403 61.300 0.144 0.000 1.384 1205 I CB -0.338 37.728 38.000 0.110 0.000 1.062 1205 I HN 0.168 nan 8.210 nan 0.000 0.426 1206 A N -1.345 121.510 122.820 0.059 0.000 2.076 1206 A HA -0.159 4.161 4.320 0.000 0.000 0.220 1206 A C 2.362 179.956 177.584 0.017 0.000 1.160 1206 A CA 1.869 53.926 52.037 0.033 0.000 0.653 1206 A CB -0.754 18.236 19.000 -0.016 0.000 0.801 1206 A HN 0.444 nan 8.150 nan 0.000 0.455 1207 S N -1.436 114.257 115.700 -0.011 0.000 2.603 1207 S HA 0.180 4.650 4.470 0.000 0.000 0.220 1207 S C 0.180 174.555 174.600 -0.375 0.000 0.967 1207 S CA 0.206 58.283 58.200 -0.205 0.000 0.920 1207 S CB -0.305 62.690 63.200 -0.342 0.000 0.773 1207 S HN 0.556 nan 8.310 nan 0.000 0.529 1208 F N 0.599 120.535 119.950 -0.024 0.000 2.791 1208 F HA 0.373 4.900 4.527 0.001 0.000 0.308 1208 F C 1.444 177.281 175.800 0.062 0.000 1.138 1208 F CA -0.411 57.592 58.000 0.006 0.000 1.294 1208 F CB 0.257 39.246 39.000 -0.018 0.000 0.975 1208 F HN 0.162 nan 8.300 nan 0.000 0.512 1209 G N 0.620 109.513 108.800 0.155 0.000 2.153 1209 G HA2 -0.182 3.778 3.960 0.000 0.000 0.252 1209 G HA3 -0.182 3.778 3.960 0.000 0.000 0.252 1209 G C 0.532 175.509 174.900 0.127 0.000 0.994 1209 G CA -0.014 45.161 45.100 0.125 0.000 0.698 1209 G HN 0.779 nan 8.290 nan 0.000 0.521 1210 G N -0.667 108.220 108.800 0.145 0.000 2.400 1210 G HA2 0.517 4.477 3.960 0.000 0.000 0.333 1210 G HA3 0.517 4.477 3.960 0.000 0.000 0.333 1210 G C -0.362 174.583 174.900 0.074 0.000 1.143 1210 G CA -0.233 44.939 45.100 0.120 0.000 0.914 1210 G HN 0.510 nan 8.290 nan 0.000 0.480 1211 N N 2.122 120.850 118.700 0.047 0.000 2.469 1211 N HA 0.272 5.013 4.740 0.000 0.000 0.239 1211 N C -0.992 174.523 175.510 0.008 0.000 1.053 1211 N CA -2.455 50.601 53.050 0.009 0.000 0.937 1211 N CB 1.807 40.281 38.487 -0.022 0.000 1.163 1211 N HN 0.128 nan 8.380 nan 0.000 0.509 1212 P HA -0.052 nan 4.420 nan 0.000 0.226 1212 P C 0.889 178.224 177.300 0.057 0.000 1.146 1212 P CA 0.797 63.928 63.100 0.053 0.000 0.773 1212 P CB 0.124 31.841 31.700 0.028 0.000 0.772 1213 G N -0.903 107.854 108.800 -0.071 0.000 2.880 1213 G HA2 -0.022 3.938 3.960 0.000 0.000 0.209 1213 G HA3 -0.022 3.938 3.960 0.000 0.000 0.209 1213 G C 0.653 175.069 174.900 -0.808 0.000 1.157 1213 G CA 0.151 45.096 45.100 -0.257 0.000 0.779 1213 G HN 0.341 nan 8.290 nan 0.000 0.539 1214 S N 0.278 115.701 115.700 -0.462 0.000 2.112 1214 S HA 0.476 4.947 4.470 0.000 0.000 0.151 1214 S C -0.815 173.759 174.600 -0.043 0.000 1.723 1214 S CA -0.417 57.554 58.200 -0.382 0.000 1.263 1214 S CB 0.379 63.458 63.200 -0.201 0.000 1.194 1214 S HN -0.053 nan 8.310 nan 0.000 0.419 1215 V N 3.330 123.399 119.914 0.258 0.000 2.370 1215 V HA 0.506 4.626 4.120 0.000 0.000 0.283 1215 V C 0.229 176.512 176.094 0.316 0.000 1.023 1215 V CA -0.410 62.075 62.300 0.307 0.000 0.857 1215 V CB 1.650 33.675 31.823 0.337 0.000 0.985 1215 V HN 0.613 nan 8.190 nan 0.000 0.443 1216 T N 6.556 121.225 114.554 0.192 0.000 2.779 1216 T HA 0.620 4.970 4.350 0.000 0.000 0.280 1216 T C -0.121 174.702 174.700 0.205 0.000 0.987 1216 T CA -0.183 62.012 62.100 0.158 0.000 0.966 1216 T CB 0.927 69.808 68.868 0.022 0.000 0.933 1216 T HN 0.614 nan 8.240 nan 0.000 0.442 1217 I N 1.465 122.143 120.570 0.179 0.000 2.437 1217 I HA 0.900 5.070 4.170 0.000 0.000 0.298 1217 I C -0.922 175.388 176.117 0.323 0.000 0.984 1217 I CA -1.055 60.344 61.300 0.164 0.000 1.214 1217 I CB 1.136 39.013 38.000 -0.206 0.000 1.365 1217 I HN 0.529 nan 8.210 nan 0.000 0.469 1218 F N 2.580 122.538 119.950 0.014 0.000 2.665 1218 F HA 0.959 5.486 4.527 0.000 0.000 0.308 1218 F C -0.576 175.136 175.800 -0.147 0.000 1.112 1218 F CA -1.234 56.803 58.000 0.063 0.000 0.972 1218 F CB 1.092 40.250 39.000 0.263 0.000 1.295 1218 F HN 0.847 nan 8.300 nan 0.000 0.440 1219 G N 0.941 109.521 108.800 -0.367 0.000 2.660 1219 G HA2 0.524 4.484 3.960 0.000 0.000 0.290 1219 G HA3 0.524 4.484 3.960 0.000 0.000 0.290 1219 G C -2.446 172.160 174.900 -0.490 0.000 1.432 1219 G CA -0.778 43.646 45.100 -1.126 0.000 0.807 1219 G HN 0.845 nan 8.290 nan 0.000 0.485 1220 E N 0.149 120.065 120.200 -0.473 0.000 2.227 1220 E HA 0.619 4.970 4.350 0.000 0.000 0.268 1220 E C 0.708 177.324 176.600 0.026 0.000 0.907 1220 E CA 0.257 56.656 56.400 -0.002 0.000 0.786 1220 E CB 2.086 31.916 29.700 0.216 0.000 1.191 1220 E HN 0.771 nan 8.360 nan 0.000 0.411 1221 S N 2.712 118.483 115.700 0.118 0.000 4.114 1221 S HA -0.400 4.070 4.470 0.000 0.000 0.618 1221 S C 1.492 176.198 174.600 0.177 0.000 1.937 1221 S CA 2.283 60.652 58.200 0.282 0.000 4.228 1221 S CB -1.600 61.846 63.200 0.410 0.000 0.216 1221 S HN 0.947 nan 8.310 nan 0.000 0.528 1222 A N 1.040 123.958 122.820 0.163 0.000 1.978 1222 A HA 0.124 4.444 4.320 0.000 0.000 0.220 1222 A C 2.511 180.073 177.584 -0.036 0.000 1.170 1222 A CA 2.506 54.583 52.037 0.066 0.000 0.636 1222 A CB -1.594 17.460 19.000 0.090 0.000 0.810 1222 A HN 1.608 nan 8.150 nan 0.000 0.448 1223 G N -0.651 108.087 108.800 -0.102 0.000 2.422 1223 G HA2 0.035 3.995 3.960 0.000 0.000 0.218 1223 G HA3 0.035 3.995 3.960 0.000 0.000 0.218 1223 G C 1.470 176.221 174.900 -0.250 0.000 1.146 1223 G CA 1.218 46.132 45.100 -0.311 0.000 0.769 1223 G HN 0.681 nan 8.290 nan 0.000 0.547 1224 G N 0.255 108.982 108.800 -0.121 0.000 2.402 1224 G HA2 -0.145 3.816 3.960 0.000 0.000 0.216 1224 G HA3 -0.145 3.816 3.960 0.000 0.000 0.216 1224 G C 1.562 176.449 174.900 -0.022 0.000 1.162 1224 G CA 1.064 46.141 45.100 -0.038 0.000 0.777 1224 G HN 0.416 nan 8.290 nan 0.000 0.539 1225 E N 1.005 121.196 120.200 -0.015 0.000 2.110 1225 E HA -0.112 4.238 4.350 0.000 0.000 0.193 1225 E C 2.574 179.132 176.600 -0.070 0.000 0.988 1225 E CA 1.264 57.647 56.400 -0.028 0.000 0.804 1225 E CB -0.220 29.466 29.700 -0.023 0.000 0.745 1225 E HN 0.347 nan 8.360 nan 0.000 0.458 1226 S N 0.189 115.839 115.700 -0.084 0.000 2.348 1226 S HA -0.122 4.348 4.470 0.000 0.000 0.221 1226 S C 2.177 176.659 174.600 -0.196 0.000 1.033 1226 S CA 1.194 59.329 58.200 -0.108 0.000 1.010 1226 S CB -0.339 62.747 63.200 -0.191 0.000 0.891 1226 S HN 0.143 nan 8.310 nan 0.000 0.442 1227 V N 1.550 121.341 119.914 -0.205 0.000 2.380 1227 V HA -0.190 3.930 4.120 0.000 0.000 0.251 1227 V C 2.594 178.554 176.094 -0.223 0.000 1.063 1227 V CA 2.056 64.211 62.300 -0.242 0.000 1.055 1227 V CB -0.819 30.918 31.823 -0.144 0.000 0.657 1227 V HN 0.564 nan 8.190 nan 0.000 0.455 1228 S N -0.784 114.857 115.700 -0.098 0.000 2.383 1228 S HA -0.130 4.340 4.470 0.000 0.000 0.227 1228 S C 1.913 176.436 174.600 -0.129 0.000 1.026 1228 S CA 1.634 59.804 58.200 -0.050 0.000 0.981 1228 S CB -0.074 63.156 63.200 0.051 0.000 0.818 1228 S HN 0.354 nan 8.310 nan 0.000 0.472 1229 V N 2.074 121.877 119.914 -0.184 0.000 2.379 1229 V HA -0.068 4.052 4.120 0.000 0.000 0.245 1229 V C 2.377 178.341 176.094 -0.216 0.000 1.044 1229 V CA 1.541 63.692 62.300 -0.248 0.000 1.036 1229 V CB -0.668 30.882 31.823 -0.456 0.000 0.664 1229 V HN 0.467 nan 8.190 nan 0.000 0.453 1230 L N -0.241 120.846 121.223 -0.227 0.000 2.127 1230 L HA -0.163 4.177 4.340 0.000 0.000 0.211 1230 L C 2.432 179.301 176.870 -0.001 0.000 1.089 1230 L CA 1.076 55.817 54.840 -0.166 0.000 0.757 1230 L CB -0.621 41.230 42.059 -0.345 0.000 0.899 1230 L HN 0.224 nan 8.230 nan 0.000 0.434 1231 V N 0.022 119.900 119.914 -0.061 0.000 2.515 1231 V HA -0.238 3.882 4.120 0.000 0.000 0.250 1231 V C 2.149 178.304 176.094 0.103 0.000 1.058 1231 V CA 1.431 63.792 62.300 0.102 0.000 1.064 1231 V CB -0.249 31.466 31.823 -0.181 0.000 0.675 1231 V HN 0.394 nan 8.190 nan 0.000 0.461 1232 L N -0.960 120.230 121.223 -0.055 0.000 2.416 1232 L HA 0.146 4.486 4.340 0.000 0.000 0.216 1232 L C 1.363 178.059 176.870 -0.290 0.000 1.098 1232 L CA 0.230 54.944 54.840 -0.209 0.000 0.840 1232 L CB -0.103 41.845 42.059 -0.185 0.000 0.981 1232 L HN 0.193 nan 8.230 nan 0.000 0.462 1233 S N 0.279 115.919 115.700 -0.101 0.000 2.528 1233 S HA 0.174 4.644 4.470 0.000 0.000 0.277 1233 S C -1.565 173.120 174.600 0.140 0.000 1.297 1233 S CA -1.252 56.924 58.200 -0.041 0.000 1.052 1233 S CB 1.130 64.317 63.200 -0.022 0.000 0.917 1233 S HN -0.099 nan 8.310 nan 0.000 0.492 1234 P HA 0.005 nan 4.420 nan 0.000 0.219 1234 P C 1.190 178.623 177.300 0.222 0.000 1.150 1234 P CA 0.819 64.118 63.100 0.332 0.000 0.814 1234 P CB 0.068 31.887 31.700 0.200 0.000 0.787 1235 L N -1.095 120.212 121.223 0.140 0.000 2.131 1235 L HA -0.114 4.227 4.340 0.000 0.000 0.210 1235 L C 2.252 179.202 176.870 0.133 0.000 1.092 1235 L CA 1.467 56.375 54.840 0.114 0.000 0.759 1235 L CB -1.126 40.986 42.059 0.088 0.000 0.903 1235 L HN -0.043 nan 8.230 nan 0.000 0.435 1236 A N -0.408 122.520 122.820 0.180 0.000 2.208 1236 A HA -0.065 4.255 4.320 0.000 0.000 0.209 1236 A C 1.208 178.927 177.584 0.226 0.000 1.161 1236 A CA -0.004 52.185 52.037 0.254 0.000 0.782 1236 A CB -0.278 18.928 19.000 0.345 0.000 0.816 1236 A HN 0.215 nan 8.150 nan 0.000 0.477 1237 K N 1.191 121.679 120.400 0.147 0.000 2.511 1237 K HA -0.071 4.250 4.320 0.000 0.000 0.280 1237 K C -0.238 176.332 176.600 -0.050 0.000 1.008 1237 K CA 0.562 56.855 56.287 0.011 0.000 1.050 1237 K CB -0.031 32.463 32.500 -0.010 0.000 0.889 1237 K HN 0.455 nan 8.250 nan 0.000 0.484 1238 N N 2.271 120.889 118.700 -0.137 0.000 2.878 1238 N HA -0.218 4.522 4.740 0.000 0.000 0.247 1238 N C 0.254 175.660 175.510 -0.172 0.000 1.021 1238 N CA 1.019 53.973 53.050 -0.160 0.000 0.873 1238 N CB -1.089 37.338 38.487 -0.100 0.000 1.128 1238 N HN 0.595 nan 8.380 nan 0.000 0.571 1239 L N -0.891 120.252 121.223 -0.133 0.000 2.590 1239 L HA 0.258 4.598 4.340 0.000 0.000 0.227 1239 L C 0.274 177.192 176.870 0.080 0.000 1.099 1239 L CA 0.226 55.089 54.840 0.039 0.000 0.872 1239 L CB 0.093 42.261 42.059 0.181 0.000 1.088 1239 L HN 0.178 nan 8.230 nan 0.000 0.479 1240 F N -4.153 115.604 119.950 -0.321 0.000 2.668 1240 F HA 0.443 4.970 4.527 0.000 0.000 0.309 1240 F C 0.004 175.452 175.800 -0.588 0.000 1.117 1240 F CA -1.137 56.662 58.000 -0.334 0.000 0.951 1240 F CB 0.768 39.697 39.000 -0.118 0.000 1.323 1240 F HN -0.078 nan 8.300 nan 0.000 0.451 1241 H N -0.615 118.446 119.070 -0.014 0.000 3.058 1241 H HA 0.554 5.110 4.556 0.001 0.000 0.266 1241 H C -0.628 174.649 175.328 -0.085 0.000 1.135 1241 H CA -0.529 55.441 56.048 -0.129 0.000 1.174 1241 H CB 0.544 30.256 29.762 -0.083 0.000 1.581 1241 H HN 0.501 nan 8.280 nan 0.000 0.553 1242 R N 0.250 120.851 120.500 0.168 0.000 2.629 1242 R HA 0.746 5.086 4.340 0.000 0.000 0.266 1242 R C -1.594 174.875 176.300 0.281 0.000 1.051 1242 R CA -0.650 55.506 56.100 0.093 0.000 0.895 1242 R CB 2.153 32.328 30.300 -0.208 0.000 1.246 1242 R HN 0.163 nan 8.270 nan 0.000 0.459 1243 A N 2.875 125.887 122.820 0.321 0.000 2.449 1243 A HA 0.822 5.142 4.320 0.000 0.000 0.302 1243 A C -1.099 176.734 177.584 0.414 0.000 1.048 1243 A CA -0.646 51.530 52.037 0.232 0.000 0.708 1243 A CB 1.175 20.121 19.000 -0.090 0.000 1.274 1243 A HN 0.593 nan 8.150 nan 0.000 0.410 1244 I N 1.237 121.984 120.570 0.296 0.000 2.499 1244 I HA 0.364 4.534 4.170 0.000 0.000 0.288 1244 I C -0.300 175.955 176.117 0.231 0.000 1.048 1244 I CA -0.337 61.076 61.300 0.188 0.000 1.062 1244 I CB 2.456 40.449 38.000 -0.011 0.000 1.238 1244 I HN 0.495 nan 8.210 nan 0.000 0.426 1245 S N 4.902 120.693 115.700 0.153 0.000 2.530 1245 S HA 0.357 4.828 4.470 0.000 0.000 0.322 1245 S C -0.562 174.097 174.600 0.098 0.000 1.085 1245 S CA -0.655 57.614 58.200 0.114 0.000 1.096 1245 S CB 1.038 64.287 63.200 0.082 0.000 0.988 1245 S HN 0.481 nan 8.310 nan 0.000 0.466 1246 E N 1.911 122.215 120.200 0.174 0.000 2.063 1246 E HA 0.342 4.692 4.350 0.000 0.000 0.265 1246 E C -0.573 176.109 176.600 0.136 0.000 0.919 1246 E CA -0.512 56.028 56.400 0.233 0.000 0.756 1246 E CB 0.929 30.848 29.700 0.365 0.000 1.120 1246 E HN 0.641 nan 8.360 nan 0.000 0.414 1247 S N 2.011 117.771 115.700 0.100 0.000 3.625 1247 S HA -0.106 4.364 4.470 0.000 0.000 0.426 1247 S C 0.041 174.867 174.600 0.376 0.000 0.884 1247 S CA 0.486 58.773 58.200 0.145 0.000 1.322 1247 S CB -1.084 62.091 63.200 -0.041 0.000 0.905 1247 S HN 0.980 nan 8.310 nan 0.000 0.586 1248 G N -0.833 108.157 108.800 0.317 0.000 2.158 1248 G HA2 0.498 4.458 3.960 0.000 0.000 0.238 1248 G HA3 0.498 4.458 3.960 0.000 0.000 0.238 1248 G C -0.779 174.174 174.900 0.088 0.000 1.723 1248 G CA 0.130 45.377 45.100 0.244 0.000 0.911 1248 G HN 1.609 nan 8.290 nan 0.000 0.741 1249 V N -0.719 119.211 119.914 0.026 0.000 3.103 1249 V HA 0.949 5.070 4.120 0.000 0.000 0.311 1249 V C 1.322 177.395 176.094 -0.036 0.000 1.322 1249 V CA -0.018 62.285 62.300 0.004 0.000 1.063 1249 V CB 1.142 32.961 31.823 -0.007 0.000 1.090 1249 V HN 2.165 nan 8.190 nan 0.000 0.462 1250 A N -0.618 122.181 122.820 -0.034 0.000 2.168 1250 A HA 0.250 4.571 4.320 0.000 0.000 0.215 1250 A C 1.553 179.092 177.584 -0.076 0.000 1.152 1250 A CA 1.216 53.213 52.037 -0.067 0.000 0.716 1250 A CB -0.709 18.249 19.000 -0.070 0.000 0.794 1250 A HN 0.796 nan 8.150 nan 0.000 0.465 1251 L N -0.341 120.840 121.223 -0.070 0.000 2.592 1251 L HA 0.047 4.387 4.340 0.000 0.000 0.227 1251 L C 0.318 177.114 176.870 -0.123 0.000 1.127 1251 L CA 0.117 54.908 54.840 -0.080 0.000 0.884 1251 L CB -0.002 42.022 42.059 -0.058 0.000 1.065 1251 L HN 0.111 nan 8.230 nan 0.000 0.457 1252 T N -0.033 114.432 114.554 -0.148 0.000 4.104 1252 T HA 0.041 4.391 4.350 0.000 0.000 0.285 1252 T C 1.484 176.063 174.700 -0.202 0.000 1.346 1252 T CA -0.012 61.953 62.100 -0.226 0.000 1.158 1252 T CB 0.342 69.062 68.868 -0.246 0.000 1.290 1252 T HN 0.197 nan 8.240 nan 0.000 0.975 1253 S N 1.857 117.443 115.700 -0.190 0.000 2.426 1253 S HA -0.220 4.251 4.470 0.000 0.000 0.253 1253 S C 2.321 176.814 174.600 -0.178 0.000 1.104 1253 S CA 1.661 59.754 58.200 -0.178 0.000 1.158 1253 S CB -0.708 62.373 63.200 -0.200 0.000 1.043 1253 S HN 0.618 nan 8.310 nan 0.000 0.443 1254 V N 1.438 121.230 119.914 -0.204 0.000 2.363 1254 V HA -0.154 3.966 4.120 0.000 0.000 0.254 1254 V C 1.338 177.347 176.094 -0.142 0.000 1.074 1254 V CA 1.861 64.058 62.300 -0.173 0.000 1.069 1254 V CB -0.360 31.350 31.823 -0.189 0.000 0.659 1254 V HN 0.564 nan 8.190 nan 0.000 0.455 1255 L N 0.067 121.202 121.223 -0.147 0.000 2.791 1255 L HA 0.294 4.634 4.340 0.000 0.000 0.239 1255 L C -0.435 176.353 176.870 -0.137 0.000 1.203 1255 L CA -0.159 54.595 54.840 -0.145 0.000 1.002 1255 L CB 0.673 42.656 42.059 -0.128 0.000 1.295 1255 L HN 0.142 nan 8.230 nan 0.000 0.504 1256 V N 0.062 119.901 119.914 -0.126 0.000 2.498 1256 V HA 0.196 4.316 4.120 0.000 0.000 0.283 1256 V C -0.143 175.891 176.094 -0.100 0.000 1.015 1256 V CA -0.920 61.315 62.300 -0.108 0.000 0.867 1256 V CB 1.668 33.427 31.823 -0.106 0.000 1.025 1256 V HN 0.193 nan 8.190 nan 0.000 0.441 1257 K N 4.099 124.446 120.400 -0.088 0.000 2.349 1257 K HA 0.493 4.814 4.320 0.000 0.000 0.288 1257 K C -0.321 176.236 176.600 -0.071 0.000 1.058 1257 K CA -0.191 56.051 56.287 -0.076 0.000 0.953 1257 K CB 1.089 33.548 32.500 -0.067 0.000 0.997 1257 K HN 0.533 nan 8.250 nan 0.000 0.477 1258 K N 1.037 121.396 120.400 -0.068 0.000 2.281 1258 K HA 0.609 4.929 4.320 0.000 0.000 0.242 1258 K C 0.107 176.676 176.600 -0.051 0.000 0.971 1258 K CA -0.584 55.665 56.287 -0.062 0.000 0.834 1258 K CB 1.970 34.430 32.500 -0.067 0.000 1.181 1258 K HN 0.734 nan 8.250 nan 0.000 0.435 1259 G N 1.228 110.000 108.800 -0.046 0.000 2.545 1259 G HA2 -0.226 3.734 3.960 0.000 0.000 0.216 1259 G HA3 -0.226 3.734 3.960 0.000 0.000 0.216 1259 G C -1.360 173.516 174.900 -0.040 0.000 1.314 1259 G CA -0.448 44.630 45.100 -0.038 0.000 0.906 1259 G HN 0.663 nan 8.290 nan 0.000 0.563 1260 D N 0.339 120.719 120.400 -0.033 0.000 2.316 1260 D HA 0.441 5.081 4.640 0.000 0.000 0.245 1260 D C 1.733 178.007 176.300 -0.044 0.000 1.171 1260 D CA 0.461 54.439 54.000 -0.036 0.000 0.856 1260 D CB 1.280 42.064 40.800 -0.027 0.000 1.090 1260 D HN 1.183 nan 8.370 nan 0.000 0.476 1261 V N 2.156 122.033 119.914 -0.062 0.000 3.406 1261 V HA 0.064 4.185 4.120 0.000 0.000 0.263 1261 V C 2.092 178.132 176.094 -0.090 0.000 1.172 1261 V CA 0.417 62.669 62.300 -0.079 0.000 1.140 1261 V CB -0.400 31.357 31.823 -0.111 0.000 0.784 1261 V HN 0.288 nan 8.190 nan 0.000 0.467 1262 K N 2.106 122.462 120.400 -0.073 0.000 2.059 1262 K HA -0.114 4.206 4.320 0.000 0.000 0.212 1262 K C -0.134 176.440 176.600 -0.043 0.000 1.050 1262 K CA 2.544 58.794 56.287 -0.062 0.000 0.927 1262 K CB -1.696 30.784 32.500 -0.033 0.000 0.714 1262 K HN 0.453 nan 8.250 nan 0.000 0.447 1263 P HA -0.144 nan 4.420 nan 0.000 0.216 1263 P C 1.401 178.698 177.300 -0.004 0.000 1.153 1263 P CA 0.970 64.062 63.100 -0.012 0.000 0.848 1263 P CB 0.031 31.725 31.700 -0.010 0.000 0.787 1264 L N -0.995 120.220 121.223 -0.014 0.000 2.056 1264 L HA -0.161 4.179 4.340 0.000 0.000 0.207 1264 L C 2.178 179.059 176.870 0.019 0.000 1.078 1264 L CA 1.709 56.557 54.840 0.013 0.000 0.749 1264 L CB -0.855 41.209 42.059 0.008 0.000 0.901 1264 L HN -0.042 nan 8.230 nan 0.000 0.433 1265 A N -0.034 122.747 122.820 -0.066 0.000 1.865 1265 A HA -0.283 4.038 4.320 0.000 0.000 0.217 1265 A C 2.001 179.654 177.584 0.115 0.000 1.191 1265 A CA 2.012 54.006 52.037 -0.073 0.000 0.623 1265 A CB -0.626 18.214 19.000 -0.266 0.000 0.826 1265 A HN 0.556 nan 8.150 nan 0.000 0.444 1266 E N -0.951 119.281 120.200 0.053 0.000 2.085 1266 E HA -0.262 4.089 4.350 0.000 0.000 0.194 1266 E C 2.282 178.918 176.600 0.060 0.000 0.994 1266 E CA 1.331 57.766 56.400 0.059 0.000 0.801 1266 E CB -0.174 29.543 29.700 0.028 0.000 0.743 1266 E HN 0.782 nan 8.360 nan 0.000 0.453 1267 Q N 0.508 120.340 119.800 0.053 0.000 2.124 1267 Q HA -0.170 4.171 4.340 0.000 0.000 0.202 1267 Q C 2.164 178.201 176.000 0.063 0.000 0.977 1267 Q CA 1.049 56.879 55.803 0.044 0.000 0.850 1267 Q CB 0.046 28.805 28.738 0.035 0.000 0.901 1267 Q HN 0.326 nan 8.270 nan 0.000 0.429 1268 I N 0.237 120.877 120.570 0.117 0.000 2.202 1268 I HA -0.246 3.924 4.170 0.000 0.000 0.242 1268 I C 2.463 178.629 176.117 0.082 0.000 1.091 1268 I CA 0.843 62.227 61.300 0.140 0.000 1.368 1268 I CB -0.527 37.636 38.000 0.273 0.000 1.058 1268 I HN 0.221 nan 8.210 nan 0.000 0.410 1269 A N 1.507 124.387 122.820 0.100 0.000 1.873 1269 A HA -0.230 4.090 4.320 0.000 0.000 0.218 1269 A C 2.294 179.885 177.584 0.011 0.000 1.193 1269 A CA 1.884 53.942 52.037 0.035 0.000 0.629 1269 A CB -0.995 18.043 19.000 0.064 0.000 0.826 1269 A HN 0.398 nan 8.150 nan 0.000 0.447 1270 I N -0.617 119.966 120.570 0.022 0.000 2.179 1270 I HA -0.226 3.945 4.170 0.000 0.000 0.242 1270 I C 2.495 178.613 176.117 0.002 0.000 1.088 1270 I CA 1.803 63.108 61.300 0.009 0.000 1.357 1270 I CB -0.850 37.156 38.000 0.010 0.000 1.051 1270 I HN 0.249 nan 8.210 nan 0.000 0.409 1271 T N 0.736 115.293 114.554 0.005 0.000 2.897 1271 T HA -0.115 4.236 4.350 0.000 0.000 0.271 1271 T C 1.680 176.376 174.700 -0.007 0.000 1.084 1271 T CA 1.349 63.447 62.100 -0.003 0.000 1.123 1271 T CB -0.215 68.651 68.868 -0.003 0.000 0.865 1271 T HN 0.498 nan 8.240 nan 0.000 0.496 1272 A N 0.285 123.098 122.820 -0.012 0.000 2.275 1272 A HA 0.556 4.876 4.320 0.000 0.000 0.212 1272 A C 1.690 179.258 177.584 -0.026 0.000 1.201 1272 A CA 0.499 52.520 52.037 -0.028 0.000 0.843 1272 A CB -0.503 18.462 19.000 -0.058 0.000 0.873 1272 A HN 0.678 nan 8.150 nan 0.000 0.492 1273 G N -1.335 107.454 108.800 -0.017 0.000 2.212 1273 G HA2 -0.227 3.733 3.960 0.000 0.000 0.255 1273 G HA3 -0.227 3.733 3.960 0.000 0.000 0.255 1273 G C 0.043 174.932 174.900 -0.018 0.000 1.062 1273 G CA 0.127 45.218 45.100 -0.015 0.000 0.815 1273 G HN 0.591 nan 8.290 nan 0.000 0.497 1274 c N -0.577 118.012 118.600 -0.018 0.000 2.486 1274 c HA 0.766 5.336 4.570 0.000 0.000 0.348 1274 c C 0.914 175.001 174.090 -0.004 0.000 1.203 1274 c CA -0.893 55.425 56.329 -0.018 0.000 1.911 1274 c CB 1.691 44.180 42.510 -0.036 0.000 2.340 1274 c HN 0.594 nan 8.230 nan 0.000 0.511 1275 K N 0.317 120.717 120.400 0.001 0.000 2.107 1275 K HA 0.436 4.756 4.320 0.000 0.000 0.251 1275 K C 0.592 177.199 176.600 0.012 0.000 1.012 1275 K CA 0.105 56.396 56.287 0.007 0.000 0.920 1275 K CB 0.606 33.112 32.500 0.009 0.000 1.033 1275 K HN 0.855 nan 8.250 nan 0.000 0.478 1276 T N -2.992 111.569 114.554 0.013 0.000 3.339 1276 T HA 0.076 4.426 4.350 0.000 0.000 0.292 1276 T C 0.908 175.614 174.700 0.011 0.000 1.012 1276 T CA -0.457 61.654 62.100 0.018 0.000 0.937 1276 T CB 0.101 68.982 68.868 0.022 0.000 1.164 1276 T HN 0.428 nan 8.240 nan 0.000 0.509 1277 T N 2.946 117.502 114.554 0.005 0.000 2.653 1277 T HA -0.050 4.300 4.350 0.000 0.000 0.268 1277 T C 1.170 175.866 174.700 -0.007 0.000 1.035 1277 T CA 2.070 64.169 62.100 -0.002 0.000 1.154 1277 T CB -0.408 68.456 68.868 -0.006 0.000 0.862 1277 T HN 0.873 nan 8.240 nan 0.000 0.441 1278 T N -2.537 112.007 114.554 -0.015 0.000 2.843 1278 T HA 0.511 4.862 4.350 0.000 0.000 0.302 1278 T C 0.923 175.603 174.700 -0.032 0.000 1.232 1278 T CA -0.371 61.711 62.100 -0.030 0.000 1.009 1278 T CB 1.721 70.548 68.868 -0.067 0.000 1.254 1278 T HN -0.160 nan 8.240 nan 0.000 0.504 1279 S N 0.743 116.425 115.700 -0.029 0.000 2.359 1279 S HA -0.138 4.332 4.470 0.000 0.000 0.222 1279 S C 2.557 177.128 174.600 -0.049 0.000 1.038 1279 S CA 1.871 60.078 58.200 0.012 0.000 1.051 1279 S CB -1.170 62.097 63.200 0.111 0.000 0.944 1279 S HN 1.035 nan 8.310 nan 0.000 0.433 1280 A N 1.149 123.789 122.820 -0.298 0.000 1.915 1280 A HA -0.166 4.154 4.320 0.000 0.000 0.220 1280 A C 2.376 179.921 177.584 -0.065 0.000 1.198 1280 A CA 2.158 54.027 52.037 -0.280 0.000 0.647 1280 A CB -1.249 17.466 19.000 -0.474 0.000 0.825 1280 A HN 0.359 nan 8.150 nan 0.000 0.456 1281 V N -0.117 119.763 119.914 -0.057 0.000 2.287 1281 V HA -0.368 3.752 4.120 0.000 0.000 0.248 1281 V C 2.671 178.793 176.094 0.045 0.000 1.053 1281 V CA 2.368 64.676 62.300 0.013 0.000 1.027 1281 V CB -0.743 31.079 31.823 -0.002 0.000 0.646 1281 V HN 0.593 nan 8.190 nan 0.000 0.447 1282 M N -0.506 119.112 119.600 0.029 0.000 2.065 1282 M HA -0.189 4.292 4.480 0.000 0.000 0.259 1282 M C 2.241 178.518 176.300 -0.039 0.000 1.069 1282 M CA 1.914 57.229 55.300 0.026 0.000 1.110 1282 M CB -0.678 31.987 32.600 0.108 0.000 1.328 1282 M HN 0.282 nan 8.290 nan 0.000 0.405 1283 V N -0.522 119.395 119.914 0.005 0.000 2.332 1283 V HA -0.300 3.821 4.120 0.000 0.000 0.248 1283 V C 2.272 178.370 176.094 0.006 0.000 1.055 1283 V CA 2.441 64.702 62.300 -0.066 0.000 1.038 1283 V CB -1.244 30.628 31.823 0.081 0.000 0.651 1283 V HN 0.499 nan 8.190 nan 0.000 0.450 1284 H N -0.644 118.411 119.070 -0.025 0.000 2.353 1284 H HA -0.193 4.364 4.556 0.000 0.000 0.300 1284 H C 2.340 177.659 175.328 -0.016 0.000 1.090 1284 H CA 2.147 58.191 56.048 -0.007 0.000 1.327 1284 H CB -0.608 29.146 29.762 -0.013 0.000 1.383 1284 H HN 0.449 nan 8.280 nan 0.000 0.508 1285 c N -0.094 118.448 118.600 -0.096 0.000 2.432 1285 c HA -0.063 4.507 4.570 0.000 0.000 0.277 1285 c C 2.775 176.772 174.090 -0.156 0.000 1.249 1285 c CA 0.960 57.199 56.329 -0.151 0.000 1.725 1285 c CB -1.425 41.047 42.510 -0.062 0.000 2.028 1285 c HN 0.661 nan 8.230 nan 0.000 0.477 1286 L N 0.331 121.462 121.223 -0.153 0.000 2.131 1286 L HA -0.089 4.251 4.340 0.000 0.000 0.210 1286 L C 2.916 179.795 176.870 0.015 0.000 1.092 1286 L CA 1.345 56.110 54.840 -0.126 0.000 0.759 1286 L CB -0.659 41.186 42.059 -0.357 0.000 0.903 1286 L HN 0.351 nan 8.230 nan 0.000 0.435 1287 R N -0.402 120.115 120.500 0.028 0.000 2.237 1287 R HA -0.113 4.227 4.340 0.000 0.000 0.219 1287 R C 2.044 178.286 176.300 -0.098 0.000 1.080 1287 R CA 0.615 56.714 56.100 -0.002 0.000 0.995 1287 R CB -0.029 30.275 30.300 0.007 0.000 0.875 1287 R HN 0.449 nan 8.270 nan 0.000 0.462 1288 Q N 0.532 120.240 119.800 -0.154 0.000 2.250 1288 Q HA 0.055 4.396 4.340 0.000 0.000 0.200 1288 Q C 0.390 176.340 176.000 -0.083 0.000 0.941 1288 Q CA 0.686 56.402 55.803 -0.145 0.000 0.872 1288 Q CB 0.135 28.754 28.738 -0.198 0.000 0.965 1288 Q HN 0.024 nan 8.270 nan 0.000 0.480 1289 K N 2.219 122.575 120.400 -0.073 0.000 2.440 1289 K HA 0.040 4.361 4.320 0.000 0.000 0.270 1289 K C 0.620 177.211 176.600 -0.015 0.000 0.980 1289 K CA 0.214 56.474 56.287 -0.044 0.000 0.953 1289 K CB 0.066 32.534 32.500 -0.054 0.000 0.925 1289 K HN 0.253 nan 8.250 nan 0.000 0.497 1290 T N -2.626 111.934 114.554 0.011 0.000 2.899 1290 T HA 0.087 4.437 4.350 0.000 0.000 0.284 1290 T C 1.298 176.060 174.700 0.104 0.000 1.004 1290 T CA -0.673 61.450 62.100 0.039 0.000 1.043 1290 T CB 1.334 70.220 68.868 0.031 0.000 1.013 1290 T HN 0.608 nan 8.240 nan 0.000 0.518 1291 E N 0.238 120.524 120.200 0.142 0.000 2.114 1291 E HA -0.299 4.051 4.350 0.000 0.000 0.199 1291 E C 1.769 178.541 176.600 0.285 0.000 1.008 1291 E CA 1.840 58.408 56.400 0.279 0.000 0.810 1291 E CB -0.106 29.660 29.700 0.110 0.000 0.739 1291 E HN 0.804 nan 8.360 nan 0.000 0.456 1292 E N 0.929 121.215 120.200 0.144 0.000 2.077 1292 E HA -0.199 4.151 4.350 0.000 0.000 0.193 1292 E C 1.787 178.458 176.600 0.119 0.000 0.989 1292 E CA 1.847 58.317 56.400 0.116 0.000 0.800 1292 E CB -0.115 29.621 29.700 0.060 0.000 0.746 1292 E HN 0.393 nan 8.360 nan 0.000 0.452 1293 E N -0.017 120.235 120.200 0.087 0.000 2.077 1293 E HA -0.157 4.194 4.350 0.000 0.000 0.193 1293 E C 2.240 178.871 176.600 0.052 0.000 0.989 1293 E CA 1.190 57.621 56.400 0.053 0.000 0.800 1293 E CB -0.203 29.508 29.700 0.020 0.000 0.746 1293 E HN 0.321 nan 8.360 nan 0.000 0.452 1294 L N 0.595 121.854 121.223 0.059 0.000 2.201 1294 L HA -0.139 4.201 4.340 0.000 0.000 0.212 1294 L C 2.477 179.394 176.870 0.078 0.000 1.105 1294 L CA 0.189 54.990 54.840 -0.064 0.000 0.775 1294 L CB -0.222 41.625 42.059 -0.354 0.000 0.913 1294 L HN 0.172 nan 8.230 nan 0.000 0.440 1295 L N -0.101 121.318 121.223 0.327 0.000 2.109 1295 L HA -0.148 4.192 4.340 0.000 0.000 0.207 1295 L C 2.387 179.380 176.870 0.205 0.000 1.086 1295 L CA 1.688 56.764 54.840 0.392 0.000 0.760 1295 L CB -0.372 41.873 42.059 0.309 0.000 0.910 1295 L HN 0.197 nan 8.230 nan 0.000 0.437 1296 E N -1.148 119.130 120.200 0.131 0.000 2.072 1296 E HA -0.163 4.187 4.350 0.000 0.000 0.191 1296 E C 1.901 178.541 176.600 0.067 0.000 0.985 1296 E CA 1.590 58.040 56.400 0.082 0.000 0.801 1296 E CB -0.288 29.444 29.700 0.054 0.000 0.750 1296 E HN 0.523 nan 8.360 nan 0.000 0.452 1297 T N 1.085 115.673 114.554 0.057 0.000 2.665 1297 T HA -0.178 4.172 4.350 0.000 0.000 0.268 1297 T C 2.068 176.813 174.700 0.075 0.000 1.035 1297 T CA 1.880 64.003 62.100 0.038 0.000 1.151 1297 T CB -0.594 68.278 68.868 0.007 0.000 0.862 1297 T HN 0.184 nan 8.240 nan 0.000 0.438 1298 T N 2.731 117.372 114.554 0.146 0.000 2.635 1298 T HA -0.070 4.281 4.350 0.000 0.000 0.267 1298 T C 1.987 176.796 174.700 0.180 0.000 1.040 1298 T CA 1.184 63.448 62.100 0.274 0.000 1.156 1298 T CB -0.600 68.472 68.868 0.339 0.000 0.863 1298 T HN 0.286 nan 8.240 nan 0.000 0.430 1299 L N 0.262 121.560 121.223 0.125 0.000 2.056 1299 L HA -0.082 4.258 4.340 0.000 0.000 0.207 1299 L C 2.679 179.551 176.870 0.002 0.000 1.078 1299 L CA 1.389 56.271 54.840 0.070 0.000 0.749 1299 L CB -0.534 41.565 42.059 0.066 0.000 0.901 1299 L HN 0.237 nan 8.230 nan 0.000 0.433 1300 K N -0.367 120.028 120.400 -0.007 0.000 2.057 1300 K HA -0.142 4.178 4.320 0.000 0.000 0.207 1300 K C 2.185 178.712 176.600 -0.120 0.000 1.049 1300 K CA 1.217 57.477 56.287 -0.045 0.000 0.931 1300 K CB -0.103 32.379 32.500 -0.030 0.000 0.714 1300 K HN 0.191 nan 8.250 nan 0.000 0.440 1301 M N 1.079 120.561 119.600 -0.198 0.000 2.202 1301 M HA -0.108 4.372 4.480 0.000 0.000 0.262 1301 M C 0.027 175.987 176.300 -0.567 0.000 1.063 1301 M CA 1.232 56.247 55.300 -0.474 0.000 1.097 1301 M CB -0.866 31.200 32.600 -0.891 0.000 1.382 1301 M HN 0.055 nan 8.290 nan 0.000 0.413 1302 K N -0.210 119.965 120.400 -0.375 0.000 5.728 1302 K HA -0.212 4.108 4.320 0.000 0.000 0.427 1302 K C 0.098 176.554 176.600 -0.240 0.000 1.056 1302 K CA 0.008 56.175 56.287 -0.201 0.000 1.274 1302 K CB -1.614 30.814 32.500 -0.121 0.000 1.831 1302 K HN 0.177 nan 8.250 nan 0.000 0.384 1303 F N 0.345 120.320 119.950 0.042 0.000 2.317 1303 F HA -0.029 4.498 4.527 0.000 0.000 0.290 1303 F C 2.221 178.046 175.800 0.042 0.000 1.075 1303 F CA 0.287 58.312 58.000 0.043 0.000 1.380 1303 F CB -0.108 38.926 39.000 0.056 0.000 1.093 1303 F HN 0.440 nan 8.300 nan 0.000 0.524 1304 L N 0.852 122.218 121.223 0.238 0.000 1.956 1304 L HA -0.133 4.208 4.340 0.000 0.000 0.216 1304 L C 1.411 178.354 176.870 0.121 0.000 1.073 1304 L CA 1.472 56.401 54.840 0.149 0.000 0.762 1304 L CB -1.283 40.840 42.059 0.106 0.000 0.889 1304 L HN 0.089 nan 8.230 nan 0.000 0.433 1305 S N 1.014 116.766 115.700 0.088 0.000 2.509 1305 S HA 0.163 4.634 4.470 0.000 0.000 0.287 1305 S C 0.046 174.681 174.600 0.059 0.000 1.248 1305 S CA -0.588 57.653 58.200 0.067 0.000 1.089 1305 S CB -0.564 62.655 63.200 0.031 0.000 0.900 1305 S HN 0.362 nan 8.310 nan 0.000 0.496 1306 L N 3.225 124.498 121.223 0.084 0.000 2.534 1306 L HA 0.211 4.551 4.340 0.000 0.000 0.271 1306 L C 0.210 177.063 176.870 -0.029 0.000 1.178 1306 L CA 0.338 55.204 54.840 0.042 0.000 0.907 1306 L CB 0.014 42.090 42.059 0.029 0.000 1.164 1306 L HN 0.766 nan 8.230 nan 0.000 0.482 1307 D N 3.637 124.015 120.400 -0.037 0.000 2.390 1307 D HA 0.075 4.716 4.640 0.000 0.000 0.249 1307 D C 0.855 177.111 176.300 -0.073 0.000 1.144 1307 D CA 0.219 54.187 54.000 -0.054 0.000 0.880 1307 D CB 0.853 41.619 40.800 -0.056 0.000 1.182 1307 D HN 0.598 nan 8.370 nan 0.000 0.451 1308 L N 2.033 123.217 121.223 -0.064 0.000 2.253 1308 L HA 0.036 4.377 4.340 0.000 0.000 0.205 1308 L C 1.454 178.301 176.870 -0.038 0.000 1.078 1308 L CA 0.241 55.044 54.840 -0.061 0.000 0.805 1308 L CB -0.377 41.651 42.059 -0.053 0.000 0.963 1308 L HN 0.541 nan 8.230 nan 0.000 0.459 1309 Q N 0.419 120.200 119.800 -0.031 0.000 2.364 1309 Q HA 0.520 4.861 4.340 0.000 0.000 0.204 1309 Q C 0.452 176.438 176.000 -0.024 0.000 1.002 1309 Q CA 0.180 55.974 55.803 -0.016 0.000 1.012 1309 Q CB 0.961 29.692 28.738 -0.010 0.000 1.188 1309 Q HN 0.127 nan 8.270 nan 0.000 0.522 1310 G N 0.529 109.324 108.800 -0.008 0.000 2.645 1310 G HA2 -0.255 3.705 3.960 0.000 0.000 0.239 1310 G HA3 -0.255 3.705 3.960 0.000 0.000 0.239 1310 G C -1.056 173.836 174.900 -0.014 0.000 1.331 1310 G CA 0.065 45.157 45.100 -0.013 0.000 0.890 1310 G HN 0.821 nan 8.290 nan 0.000 0.572 1311 D N 0.928 121.307 120.400 -0.036 0.000 2.313 1311 D HA 0.454 5.095 4.640 0.000 0.000 0.239 1311 D C -0.994 175.194 176.300 -0.186 0.000 1.142 1311 D CA -1.678 52.286 54.000 -0.060 0.000 0.847 1311 D CB 1.408 42.186 40.800 -0.037 0.000 1.082 1311 D HN -0.008 nan 8.370 nan 0.000 0.480 1312 P HA -0.099 nan 4.420 nan 0.000 0.218 1312 P C 0.761 177.809 177.300 -0.420 0.000 1.146 1312 P CA 1.010 63.790 63.100 -0.534 0.000 0.813 1312 P CB 0.245 31.235 31.700 -1.182 0.000 0.778 1313 R N -0.643 119.556 120.500 -0.502 0.000 2.319 1313 R HA 0.063 4.404 4.340 0.000 0.000 0.204 1313 R C 1.267 177.498 176.300 -0.116 0.000 0.954 1313 R CA 0.555 56.442 56.100 -0.354 0.000 1.066 1313 R CB -0.144 29.873 30.300 -0.471 0.000 0.991 1313 R HN 0.351 nan 8.270 nan 0.000 0.486 1314 E N -0.586 119.551 120.200 -0.105 0.000 2.601 1314 E HA 0.118 4.468 4.350 0.000 0.000 0.219 1314 E C -0.400 176.176 176.600 -0.039 0.000 0.964 1314 E CA -0.070 56.298 56.400 -0.054 0.000 1.050 1314 E CB 1.100 30.768 29.700 -0.052 0.000 1.068 1314 E HN -0.020 nan 8.360 nan 0.000 0.496 1315 S N 2.421 118.093 115.700 -0.048 0.000 3.530 1315 S HA 0.067 4.537 4.470 0.000 0.000 0.279 1315 S C 0.001 174.608 174.600 0.010 0.000 1.280 1315 S CA -0.219 57.962 58.200 -0.032 0.000 0.946 1315 S CB 0.025 63.196 63.200 -0.049 0.000 1.501 1315 S HN 0.159 nan 8.310 nan 0.000 0.498 1316 Q N 4.665 124.483 119.800 0.031 0.000 2.242 1316 Q HA 0.062 4.402 4.340 0.000 0.000 0.284 1316 Q C -1.252 174.846 176.000 0.164 0.000 1.130 1316 Q CA -1.149 54.710 55.803 0.093 0.000 0.940 1316 Q CB 0.667 29.483 28.738 0.131 0.000 1.146 1316 Q HN 0.249 nan 8.270 nan 0.000 0.388 1317 P HA -0.007 nan 4.420 nan 0.000 0.231 1317 P C -0.137 177.302 177.300 0.232 0.000 1.168 1317 P CA 0.702 63.902 63.100 0.165 0.000 0.779 1317 P CB 0.185 31.923 31.700 0.063 0.000 0.844 1318 L N -3.506 117.817 121.223 0.166 0.000 2.485 1318 L HA 0.671 5.011 4.340 0.000 0.000 0.245 1318 L C -1.855 174.946 176.870 -0.115 0.000 1.137 1318 L CA -1.417 53.399 54.840 -0.040 0.000 0.954 1318 L CB 1.338 43.330 42.059 -0.113 0.000 1.560 1318 L HN -0.369 nan 8.230 nan 0.000 0.403 1319 L N 0.723 121.792 121.223 -0.257 0.000 2.491 1319 L HA 0.807 5.147 4.340 0.000 0.000 0.267 1319 L C -0.266 176.476 176.870 -0.213 0.000 0.971 1319 L CA 0.059 54.810 54.840 -0.147 0.000 0.857 1319 L CB 1.559 43.524 42.059 -0.158 0.000 1.226 1319 L HN 0.984 nan 8.230 nan 0.000 0.408 1320 G N 0.809 109.497 108.800 -0.186 0.000 3.058 1320 G HA2 0.446 4.407 3.960 0.000 0.000 0.282 1320 G HA3 0.446 4.407 3.960 0.000 0.000 0.282 1320 G C -0.902 173.888 174.900 -0.183 0.000 1.248 1320 G CA -0.430 44.438 45.100 -0.386 0.000 0.822 1320 G HN 0.227 nan 8.290 nan 0.000 0.579 1321 T N 0.725 115.204 114.554 -0.125 0.000 2.902 1321 T HA 0.422 4.772 4.350 0.000 0.000 0.301 1321 T C 0.612 175.313 174.700 0.002 0.000 1.012 1321 T CA 0.375 62.531 62.100 0.092 0.000 1.151 1321 T CB 0.777 69.688 68.868 0.072 0.000 0.946 1321 T HN 1.190 nan 8.240 nan 0.000 0.542 1322 V N 0.433 120.351 119.914 0.007 0.000 3.164 1322 V HA 0.628 4.748 4.120 0.000 0.000 0.313 1322 V C -0.413 175.641 176.094 -0.068 0.000 1.188 1322 V CA -1.275 60.995 62.300 -0.051 0.000 1.058 1322 V CB 1.701 33.479 31.823 -0.074 0.000 1.110 1322 V HN 0.596 nan 8.190 nan 0.000 0.453 1323 I N 3.150 123.674 120.570 -0.077 0.000 2.243 1323 I HA 0.246 4.416 4.170 0.000 0.000 0.289 1323 I C 1.014 177.084 176.117 -0.079 0.000 1.140 1323 I CA -0.120 61.133 61.300 -0.079 0.000 1.289 1323 I CB -0.447 37.510 38.000 -0.072 0.000 1.498 1323 I HN 0.942 nan 8.210 nan 0.000 0.561 1324 D N 3.014 123.360 120.400 -0.091 0.000 2.218 1324 D HA -0.142 4.499 4.640 0.000 0.000 0.204 1324 D C 1.552 177.812 176.300 -0.066 0.000 0.976 1324 D CA 1.388 55.330 54.000 -0.096 0.000 0.853 1324 D CB 0.167 40.888 40.800 -0.133 0.000 0.939 1324 D HN 0.621 nan 8.370 nan 0.000 0.481 1325 G N -0.715 108.050 108.800 -0.058 0.000 2.176 1325 G HA2 -0.268 3.692 3.960 0.000 0.000 0.232 1325 G HA3 -0.268 3.692 3.960 0.000 0.000 0.232 1325 G C 0.963 175.846 174.900 -0.028 0.000 0.986 1325 G CA 0.563 45.638 45.100 -0.041 0.000 0.643 1325 G HN 0.254 nan 8.290 nan 0.000 0.522 1326 M N -1.121 118.461 119.600 -0.029 0.000 2.962 1326 M HA 0.445 4.926 4.480 0.000 0.000 0.242 1326 M C 2.301 178.596 176.300 -0.007 0.000 1.396 1326 M CA 1.113 56.410 55.300 -0.005 0.000 1.287 1326 M CB -1.154 31.451 32.600 0.009 0.000 1.168 1326 M HN 0.233 nan 8.290 nan 0.000 0.557 1327 L N 0.555 121.764 121.223 -0.024 0.000 2.068 1327 L HA 0.170 4.510 4.340 0.000 0.000 0.204 1327 L C 0.287 177.117 176.870 -0.067 0.000 1.076 1327 L CA 1.267 56.089 54.840 -0.031 0.000 0.753 1327 L CB 0.261 42.297 42.059 -0.038 0.000 0.910 1327 L HN 0.103 nan 8.230 nan 0.000 0.439 1328 L N 0.084 121.256 121.223 -0.085 0.000 2.349 1328 L HA 0.248 4.588 4.340 0.000 0.000 0.278 1328 L C 0.384 177.202 176.870 -0.087 0.000 0.996 1328 L CA -0.411 54.365 54.840 -0.107 0.000 0.825 1328 L CB 1.908 43.893 42.059 -0.124 0.000 1.243 1328 L HN 0.095 nan 8.230 nan 0.000 0.412 1329 L N 2.835 124.004 121.223 -0.090 0.000 2.395 1329 L HA 0.068 4.408 4.340 0.000 0.000 0.218 1329 L C 0.510 177.339 176.870 -0.069 0.000 1.130 1329 L CA 0.824 55.622 54.840 -0.069 0.000 0.826 1329 L CB -0.370 41.650 42.059 -0.065 0.000 0.941 1329 L HN 0.646 nan 8.230 nan 0.000 0.451 1330 K N -2.057 118.293 120.400 -0.084 0.000 2.672 1330 K HA 0.281 4.602 4.320 0.000 0.000 0.295 1330 K C -0.522 176.028 176.600 -0.083 0.000 1.042 1330 K CA -0.767 55.475 56.287 -0.074 0.000 0.869 1330 K CB 0.431 32.893 32.500 -0.064 0.000 1.541 1330 K HN -0.151 nan 8.250 nan 0.000 0.396 1331 T N -1.498 113.012 114.554 -0.073 0.000 2.937 1331 T HA 0.072 4.422 4.350 0.000 0.000 0.316 1331 T C -1.807 172.846 174.700 -0.079 0.000 1.079 1331 T CA -0.599 61.456 62.100 -0.075 0.000 1.131 1331 T CB 0.258 69.088 68.868 -0.064 0.000 1.000 1331 T HN 0.320 nan 8.240 nan 0.000 0.549 1332 P HA -0.159 nan 4.420 nan 0.000 0.216 1332 P C 1.402 178.668 177.300 -0.056 0.000 1.157 1332 P CA 1.363 64.416 63.100 -0.078 0.000 0.880 1332 P CB 0.025 31.680 31.700 -0.076 0.000 0.791 1333 E N -0.029 120.143 120.200 -0.046 0.000 2.049 1333 E HA -0.228 4.122 4.350 0.000 0.000 0.198 1333 E C 1.924 178.507 176.600 -0.028 0.000 1.007 1333 E CA 1.580 57.962 56.400 -0.029 0.000 0.809 1333 E CB -1.014 28.670 29.700 -0.027 0.000 0.749 1333 E HN 0.470 nan 8.360 nan 0.000 0.450 1334 E N 0.433 120.609 120.200 -0.039 0.000 2.051 1334 E HA -0.162 4.188 4.350 0.000 0.000 0.192 1334 E C 2.259 178.831 176.600 -0.047 0.000 0.991 1334 E CA 1.003 57.380 56.400 -0.038 0.000 0.799 1334 E CB -0.289 29.385 29.700 -0.044 0.000 0.748 1334 E HN 0.195 nan 8.360 nan 0.000 0.449 1335 L N 1.370 122.551 121.223 -0.070 0.000 1.989 1335 L HA -0.270 4.071 4.340 0.000 0.000 0.211 1335 L C 2.879 179.708 176.870 -0.069 0.000 1.071 1335 L CA 1.785 56.565 54.840 -0.100 0.000 0.749 1335 L CB -0.805 41.164 42.059 -0.149 0.000 0.890 1335 L HN 0.238 nan 8.230 nan 0.000 0.431 1336 Q N 0.349 120.127 119.800 -0.037 0.000 2.439 1336 Q HA -0.107 4.234 4.340 0.000 0.000 0.211 1336 Q C 1.580 177.589 176.000 0.015 0.000 0.978 1336 Q CA 1.158 56.965 55.803 0.006 0.000 0.897 1336 Q CB -0.313 28.444 28.738 0.031 0.000 0.956 1336 Q HN 0.447 nan 8.270 nan 0.000 0.483 1337 A N 1.334 124.154 122.820 -0.000 0.000 2.310 1337 A HA 0.022 4.342 4.320 0.000 0.000 0.230 1337 A C 0.156 177.744 177.584 0.006 0.000 1.294 1337 A CA -0.013 52.028 52.037 0.006 0.000 0.898 1337 A CB -0.064 18.936 19.000 0.000 0.000 0.917 1337 A HN 0.415 nan 8.150 nan 0.000 0.491 1338 E N -0.430 119.775 120.200 0.008 0.000 2.314 1338 E HA 0.475 4.825 4.350 0.000 0.000 0.272 1338 E C -0.971 175.652 176.600 0.038 0.000 0.884 1338 E CA -0.742 55.668 56.400 0.017 0.000 0.753 1338 E CB 1.161 30.865 29.700 0.007 0.000 1.213 1338 E HN 0.079 nan 8.360 nan 0.000 0.432 1339 R N 2.144 122.669 120.500 0.042 0.000 2.633 1339 R HA 0.291 4.631 4.340 0.000 0.000 0.348 1339 R C -0.741 175.598 176.300 0.065 0.000 1.100 1339 R CA -0.056 56.073 56.100 0.047 0.000 1.068 1339 R CB -0.033 30.282 30.300 0.025 0.000 1.351 1339 R HN 0.310 nan 8.270 nan 0.000 0.575 1340 N N 0.443 119.199 118.700 0.095 0.000 2.990 1340 N HA 0.293 5.033 4.740 0.000 0.000 0.288 1340 N C -1.413 174.233 175.510 0.225 0.000 1.624 1340 N CA -0.262 52.853 53.050 0.108 0.000 0.961 1340 N CB 0.503 39.036 38.487 0.077 0.000 1.259 1340 N HN 0.009 nan 8.380 nan 0.000 0.489 1341 F N -0.601 119.354 119.950 0.008 0.000 2.817 1341 F HA 0.285 4.813 4.527 0.000 0.000 0.317 1341 F C -0.891 174.946 175.800 0.062 0.000 1.168 1341 F CA -1.034 56.981 58.000 0.025 0.000 0.911 1341 F CB 1.132 40.144 39.000 0.020 0.000 1.337 1341 F HN 0.140 nan 8.300 nan 0.000 0.464 1342 H N 1.614 120.139 119.070 -0.908 0.000 2.819 1342 H HA 0.438 4.994 4.556 0.000 0.000 0.303 1342 H C -0.710 174.482 175.328 -0.227 0.000 1.058 1342 H CA 0.303 56.011 56.048 -0.567 0.000 1.471 1342 H CB 0.715 30.022 29.762 -0.757 0.000 1.480 1342 H HN 0.639 nan 8.280 nan 0.000 0.517 1343 T N 2.612 117.152 114.554 -0.025 0.000 2.888 1343 T HA 0.531 4.881 4.350 0.000 0.000 0.284 1343 T C -0.064 174.561 174.700 -0.125 0.000 1.017 1343 T CA -0.696 61.365 62.100 -0.065 0.000 1.022 1343 T CB 1.677 70.510 68.868 -0.058 0.000 1.013 1343 T HN 0.438 nan 8.240 nan 0.000 0.465 1344 V N -1.653 118.255 119.914 -0.010 0.000 3.159 1344 V HA 0.765 4.885 4.120 0.000 0.000 0.308 1344 V C -3.267 172.982 176.094 0.259 0.000 1.190 1344 V CA -3.346 58.958 62.300 0.006 0.000 1.037 1344 V CB 1.418 33.132 31.823 -0.181 0.000 1.060 1344 V HN 0.654 nan 8.190 nan 0.000 0.437 1345 P HA 0.159 nan 4.420 nan 0.000 0.263 1345 P C -1.457 176.176 177.300 0.555 0.000 1.195 1345 P CA 0.709 64.023 63.100 0.357 0.000 0.762 1345 P CB -0.210 31.499 31.700 0.015 0.000 0.799 1346 Y N 3.780 124.282 120.300 0.336 0.000 2.361 1346 Y HA 0.531 5.081 4.550 0.000 0.000 0.337 1346 Y C -0.575 175.297 175.900 -0.047 0.000 0.965 1346 Y CA -1.435 56.666 58.100 0.001 0.000 1.091 1346 Y CB 1.493 39.486 38.460 -0.778 0.000 1.182 1346 Y HN 0.191 nan 8.280 nan 0.000 0.450 1347 M N 7.980 127.522 119.600 -0.097 0.000 2.078 1347 M HA 0.453 4.933 4.480 0.000 0.000 0.320 1347 M C -2.163 173.857 176.300 -0.468 0.000 0.969 1347 M CA -0.743 54.258 55.300 -0.498 0.000 0.929 1347 M CB 0.873 32.828 32.600 -1.074 0.000 1.504 1347 M HN 0.420 nan 8.290 nan 0.000 0.419 1348 V N 4.591 124.186 119.914 -0.531 0.000 2.384 1348 V HA 0.854 4.974 4.120 0.000 0.000 0.287 1348 V C 0.369 176.166 176.094 -0.495 0.000 1.020 1348 V CA -0.548 61.437 62.300 -0.524 0.000 0.850 1348 V CB 1.290 32.717 31.823 -0.660 0.000 0.987 1348 V HN 0.977 nan 8.190 nan 0.000 0.436 1349 G N 4.033 112.477 108.800 -0.593 0.000 2.733 1349 G HA2 0.912 4.873 3.960 0.000 0.000 0.288 1349 G HA3 0.912 4.873 3.960 0.000 0.000 0.288 1349 G C -1.127 173.394 174.900 -0.633 0.000 1.373 1349 G CA -0.702 43.656 45.100 -1.237 0.000 0.895 1349 G HN 0.884 nan 8.290 nan 0.000 0.479 1350 I N -2.701 117.572 120.570 -0.495 0.000 3.279 1350 I HA 0.678 4.848 4.170 0.000 0.000 0.315 1350 I C -1.446 174.723 176.117 0.087 0.000 1.187 1350 I CA -1.419 59.815 61.300 -0.110 0.000 0.953 1350 I CB 2.480 40.441 38.000 -0.064 0.000 1.279 1350 I HN 0.252 nan 8.210 nan 0.000 0.465 1351 N N 1.388 120.164 118.700 0.126 0.000 2.384 1351 N HA 0.342 5.083 4.740 0.000 0.000 0.301 1351 N C 0.195 175.807 175.510 0.170 0.000 1.133 1351 N CA -0.813 52.379 53.050 0.237 0.000 0.853 1351 N CB 1.859 40.497 38.487 0.252 0.000 1.241 1351 N HN 0.595 nan 8.380 nan 0.000 0.502 1352 K N 0.621 121.132 120.400 0.185 0.000 2.059 1352 K HA -0.140 4.181 4.320 0.000 0.000 0.212 1352 K C -0.214 176.464 176.600 0.129 0.000 1.050 1352 K CA 1.864 58.232 56.287 0.136 0.000 0.927 1352 K CB 0.055 32.624 32.500 0.115 0.000 0.714 1352 K HN 0.607 nan 8.250 nan 0.000 0.447 1353 Q N 0.202 120.088 119.800 0.143 0.000 2.700 1353 Q HA 0.127 4.467 4.340 0.000 0.000 0.249 1353 Q C -0.190 175.896 176.000 0.144 0.000 1.033 1353 Q CA -0.371 55.518 55.803 0.144 0.000 0.804 1353 Q CB 1.564 30.386 28.738 0.141 0.000 1.164 1353 Q HN 0.106 nan 8.270 nan 0.000 0.500 1354 E N 0.564 120.829 120.200 0.109 0.000 2.118 1354 E HA -0.146 4.204 4.350 0.000 0.000 0.195 1354 E C 0.365 177.021 176.600 0.093 0.000 0.992 1354 E CA 1.208 57.607 56.400 -0.002 0.000 0.804 1354 E CB 0.169 29.718 29.700 -0.252 0.000 0.741 1354 E HN 0.495 nan 8.360 nan 0.000 0.458 1355 F N 0.369 120.314 119.950 -0.009 0.000 2.837 1355 F HA 0.263 4.791 4.527 0.001 0.000 0.298 1355 F C 1.626 177.434 175.800 0.012 0.000 1.161 1355 F CA -0.350 57.627 58.000 -0.038 0.000 1.353 1355 F CB 0.390 39.346 39.000 -0.074 0.000 0.951 1355 F HN -0.062 nan 8.300 nan 0.000 0.508 1356 G N 0.553 109.393 108.800 0.067 0.000 2.453 1356 G HA2 -0.300 3.660 3.960 0.000 0.000 0.215 1356 G HA3 -0.300 3.660 3.960 0.000 0.000 0.215 1356 G C 1.026 175.994 174.900 0.114 0.000 1.201 1356 G CA 1.474 46.636 45.100 0.104 0.000 0.784 1356 G HN 0.644 nan 8.290 nan 0.000 0.545 1357 W N -1.330 119.902 121.300 -0.114 0.000 5.194 1357 W HA 0.313 4.974 4.660 0.001 0.000 0.169 1357 W C 1.773 178.211 176.519 -0.136 0.000 1.110 1357 W CA 0.247 57.523 57.345 -0.115 0.000 1.861 1357 W CB -0.565 28.877 29.460 -0.031 0.000 0.573 1357 W HN 0.072 nan 8.180 nan 0.000 1.069 1358 L N 2.256 123.377 121.223 -0.171 0.000 1.965 1358 L HA -0.241 4.099 4.340 0.000 0.000 0.226 1358 L C 2.206 178.800 176.870 -0.460 0.000 1.083 1358 L CA 3.148 57.755 54.840 -0.388 0.000 0.790 1358 L CB -1.346 40.790 42.059 0.128 0.000 0.898 1358 L HN 0.230 nan 8.230 nan 0.000 0.439 1359 I N -0.635 119.743 120.570 -0.319 0.000 2.069 1359 I HA -0.274 3.896 4.170 0.000 0.000 0.237 1359 I C -0.196 175.624 176.117 -0.495 0.000 1.053 1359 I CA 1.806 62.917 61.300 -0.316 0.000 1.311 1359 I CB -1.985 35.900 38.000 -0.191 0.000 1.030 1359 I HN 0.274 nan 8.210 nan 0.000 0.398 1360 P HA -0.186 nan 4.420 nan 0.000 0.216 1360 P C 1.073 178.131 177.300 -0.403 0.000 1.150 1360 P CA 1.273 63.888 63.100 -0.809 0.000 0.843 1360 P CB -0.053 31.058 31.700 -0.982 0.000 0.787 1364 M N 0.426 120.035 119.600 0.014 0.000 2.628 1364 M HA 0.127 4.607 4.480 0.000 0.000 0.232 1364 M C 0.621 177.026 176.300 0.176 0.000 1.128 1364 M CA 0.272 55.661 55.300 0.150 0.000 1.040 1364 M CB 0.101 32.890 32.600 0.314 0.000 1.608 1364 M HN 0.239 nan 8.290 nan 0.000 0.507 1365 S N -0.235 115.521 115.700 0.093 0.000 3.533 1365 S HA -0.190 4.280 4.470 0.000 0.000 0.347 1365 S C -0.181 174.504 174.600 0.142 0.000 1.101 1365 S CA 0.354 58.601 58.200 0.079 0.000 1.009 1365 S CB -2.204 61.023 63.200 0.043 0.000 0.916 1365 S HN 0.486 nan 8.310 nan 0.000 0.496 1366 Y N 1.086 121.392 120.300 0.011 0.000 2.895 1366 Y HA 0.106 4.656 4.550 0.000 0.000 0.334 1366 Y C -1.316 174.621 175.900 0.062 0.000 1.261 1366 Y CA -0.910 57.231 58.100 0.068 0.000 1.560 1366 Y CB 0.034 38.559 38.460 0.109 0.000 1.253 1366 Y HN 0.074 nan 8.280 nan 0.000 0.582 1367 P HA 0.007 nan 4.420 nan 0.000 0.286 1367 P C 0.403 177.763 177.300 0.100 0.000 1.577 1367 P CA 0.781 63.915 63.100 0.056 0.000 0.805 1367 P CB -0.231 31.462 31.700 -0.012 0.000 1.706 1368 L N -0.996 120.327 121.223 0.166 0.000 2.592 1368 L HA -0.009 4.331 4.340 0.000 0.000 0.227 1368 L C 1.972 178.913 176.870 0.118 0.000 1.127 1368 L CA 0.338 55.274 54.840 0.160 0.000 0.884 1368 L CB -0.460 41.735 42.059 0.227 0.000 1.065 1368 L HN 0.146 nan 8.230 nan 0.000 0.457 1369 S N -0.826 114.933 115.700 0.099 0.000 2.441 1369 S HA -0.227 4.243 4.470 0.000 0.000 0.242 1369 S C 1.661 176.302 174.600 0.068 0.000 1.018 1369 S CA 0.996 59.246 58.200 0.083 0.000 0.988 1369 S CB -0.219 63.022 63.200 0.068 0.000 0.778 1369 S HN 0.421 nan 8.310 nan 0.000 0.498 1370 E N 1.321 121.557 120.200 0.060 0.000 2.085 1370 E HA -0.032 4.318 4.350 0.000 0.000 0.194 1370 E C 1.932 178.563 176.600 0.052 0.000 0.994 1370 E CA 1.247 57.676 56.400 0.048 0.000 0.801 1370 E CB -0.776 28.947 29.700 0.038 0.000 0.743 1370 E HN 0.770 nan 8.360 nan 0.000 0.453 1371 G N 0.211 109.050 108.800 0.066 0.000 2.307 1371 G HA2 -0.191 3.769 3.960 0.000 0.000 0.210 1371 G HA3 -0.191 3.769 3.960 0.000 0.000 0.210 1371 G C 0.343 175.285 174.900 0.070 0.000 1.005 1371 G CA 0.396 45.536 45.100 0.068 0.000 0.634 1371 G HN 0.307 nan 8.290 nan 0.000 0.496 1372 Q N -0.333 119.503 119.800 0.060 0.000 2.683 1372 Q HA 0.911 5.252 4.340 0.000 0.000 0.302 1372 Q C -1.585 174.441 176.000 0.042 0.000 1.042 1372 Q CA -1.110 54.727 55.803 0.057 0.000 0.773 1372 Q CB 2.114 30.878 28.738 0.043 0.000 1.508 1372 Q HN 0.933 nan 8.270 nan 0.000 0.459 1373 L N 1.000 122.241 121.223 0.031 0.000 2.556 1373 L HA 0.476 4.816 4.340 0.000 0.000 0.257 1373 L C -2.045 174.820 176.870 -0.008 0.000 0.955 1373 L CA -0.170 54.662 54.840 -0.013 0.000 0.850 1373 L CB 2.242 44.265 42.059 -0.060 0.000 1.398 1373 L HN 0.908 nan 8.230 nan 0.000 0.412 1374 D N 2.411 122.795 120.400 -0.027 0.000 2.350 1374 D HA 0.235 4.876 4.640 0.000 0.000 0.238 1374 D C 0.025 176.316 176.300 -0.015 0.000 0.989 1374 D CA -0.499 53.496 54.000 -0.007 0.000 0.921 1374 D CB 1.419 42.217 40.800 -0.003 0.000 1.297 1374 D HN 0.510 nan 8.370 nan 0.000 0.490 1375 Q N 0.790 120.596 119.800 0.011 0.000 2.156 1375 Q HA -0.227 4.113 4.340 0.000 0.000 0.211 1375 Q C 1.674 177.681 176.000 0.012 0.000 0.995 1375 Q CA 1.879 57.697 55.803 0.024 0.000 0.877 1375 Q CB -0.219 28.539 28.738 0.033 0.000 0.920 1375 Q HN 0.583 nan 8.270 nan 0.000 0.416 1376 K N -0.475 119.927 120.400 0.002 0.000 2.001 1376 K HA -0.058 4.262 4.320 0.000 0.000 0.208 1376 K C 2.217 178.810 176.600 -0.012 0.000 1.048 1376 K CA 1.600 57.887 56.287 0.000 0.000 0.932 1376 K CB -0.187 32.313 32.500 -0.000 0.000 0.715 1376 K HN 0.128 nan 8.250 nan 0.000 0.437 1377 T N 1.193 115.727 114.554 -0.034 0.000 2.915 1377 T HA -0.081 4.269 4.350 0.000 0.000 0.269 1377 T C 1.875 176.501 174.700 -0.122 0.000 1.071 1377 T CA 1.044 63.110 62.100 -0.058 0.000 1.132 1377 T CB -0.179 68.649 68.868 -0.065 0.000 0.878 1377 T HN 0.309 nan 8.240 nan 0.000 0.479 1378 A N 2.019 124.746 122.820 -0.155 0.000 1.845 1378 A HA -0.044 4.276 4.320 0.000 0.000 0.215 1378 A C 2.304 179.859 177.584 -0.050 0.000 1.195 1378 A CA 1.454 53.320 52.037 -0.285 0.000 0.616 1378 A CB -0.738 18.184 19.000 -0.130 0.000 0.832 1378 A HN 0.428 nan 8.150 nan 0.000 0.443 1379 M N -0.267 119.368 119.600 0.058 0.000 2.267 1379 M HA -0.145 4.335 4.480 0.000 0.000 0.263 1379 M C 2.438 178.839 176.300 0.167 0.000 1.063 1379 M CA 1.568 56.950 55.300 0.137 0.000 1.090 1379 M CB -0.373 32.279 32.600 0.088 0.000 1.392 1379 M HN 0.596 nan 8.290 nan 0.000 0.422 1380 S N 0.922 116.685 115.700 0.105 0.000 2.335 1380 S HA -0.064 4.406 4.470 0.000 0.000 0.217 1380 S C 1.796 176.513 174.600 0.196 0.000 1.032 1380 S CA 0.898 59.184 58.200 0.143 0.000 0.985 1380 S CB -0.168 63.071 63.200 0.065 0.000 0.896 1380 S HN 0.432 nan 8.310 nan 0.000 0.445 1381 L N 0.867 122.153 121.223 0.105 0.000 2.042 1381 L HA -0.097 4.243 4.340 0.000 0.000 0.210 1381 L C 2.540 179.625 176.870 0.358 0.000 1.076 1381 L CA 1.107 56.039 54.840 0.154 0.000 0.749 1381 L CB -0.487 41.603 42.059 0.051 0.000 0.893 1381 L HN 0.374 nan 8.230 nan 0.000 0.432 1382 L N -0.714 120.799 121.223 0.482 0.000 2.127 1382 L HA -0.281 4.059 4.340 0.000 0.000 0.211 1382 L C 2.119 179.248 176.870 0.431 0.000 1.089 1382 L CA 1.790 56.936 54.840 0.510 0.000 0.757 1382 L CB -0.640 41.731 42.059 0.521 0.000 0.899 1382 L HN 0.371 nan 8.230 nan 0.000 0.434 1383 W N 0.582 121.998 121.300 0.193 0.000 2.408 1383 W HA -0.231 4.429 4.660 0.000 0.000 0.311 1383 W C 2.110 178.724 176.519 0.158 0.000 1.190 1383 W CA 1.265 58.708 57.345 0.163 0.000 1.321 1383 W CB 0.015 29.532 29.460 0.095 0.000 1.143 1383 W HN 0.079 nan 8.180 nan 0.000 0.501 1384 K N 0.412 120.823 120.400 0.019 0.000 2.360 1384 K HA -0.086 4.235 4.320 0.000 0.000 0.201 1384 K C 1.572 178.125 176.600 -0.079 0.000 1.046 1384 K CA 1.318 57.515 56.287 -0.149 0.000 0.945 1384 K CB -0.260 32.202 32.500 -0.064 0.000 0.750 1384 K HN -0.087 nan 8.250 nan 0.000 0.464 1385 S N 0.474 116.203 115.700 0.050 0.000 2.710 1385 S HA 0.010 4.480 4.470 0.000 0.000 0.224 1385 S C 0.893 175.505 174.600 0.020 0.000 0.948 1385 S CA -0.338 57.920 58.200 0.096 0.000 0.949 1385 S CB -0.275 63.054 63.200 0.216 0.000 0.778 1385 S HN 0.309 nan 8.310 nan 0.000 0.498 1386 Y N 3.991 124.183 120.300 -0.179 0.000 2.114 1386 Y HA -0.136 4.414 4.550 0.000 0.000 0.282 1386 Y C -0.844 174.958 175.900 -0.164 0.000 1.165 1386 Y CA 1.661 59.627 58.100 -0.224 0.000 1.148 1386 Y CB -1.053 37.106 38.460 -0.501 0.000 0.972 1386 Y HN 0.248 nan 8.280 nan 0.000 0.504 1387 P HA -0.136 nan 4.420 nan 0.000 0.236 1387 P C 0.932 178.143 177.300 -0.148 0.000 1.172 1387 P CA 1.512 64.558 63.100 -0.090 0.000 0.759 1387 P CB -0.039 31.659 31.700 -0.004 0.000 0.843 1388 L N -1.119 120.000 121.223 -0.172 0.000 2.547 1388 L HA 0.062 4.402 4.340 0.000 0.000 0.218 1388 L C 2.332 179.028 176.870 -0.290 0.000 1.048 1388 L CA 0.438 55.157 54.840 -0.203 0.000 0.859 1388 L CB 0.002 41.965 42.059 -0.159 0.000 1.128 1388 L HN -0.192 nan 8.230 nan 0.000 0.483 1389 V N -5.728 114.013 119.914 -0.289 0.000 3.523 1389 V HA 0.134 4.255 4.120 0.000 0.000 0.255 1389 V C 1.067 176.989 176.094 -0.287 0.000 1.226 1389 V CA -0.499 61.636 62.300 -0.276 0.000 1.092 1389 V CB -0.076 31.617 31.823 -0.216 0.000 0.817 1389 V HN 0.441 nan 8.190 nan 0.000 0.458 1390 C N 1.653 120.619 119.300 -0.555 0.000 3.896 1390 C HA -0.158 4.302 4.460 0.000 0.000 0.300 1390 C C 0.420 175.104 174.990 -0.509 0.000 1.322 1390 C CA 0.124 58.569 59.018 -0.954 0.000 2.130 1390 C CB -2.929 24.402 27.740 -0.682 0.000 1.363 1390 C HN 0.651 nan 8.230 nan 0.000 0.642 1391 I N 1.257 121.763 120.570 -0.106 0.000 2.330 1391 I HA 0.488 4.658 4.170 0.000 0.000 0.289 1391 I C 0.995 177.431 176.117 0.533 0.000 1.001 1391 I CA -0.058 61.409 61.300 0.279 0.000 1.193 1391 I CB 1.130 39.386 38.000 0.428 0.000 1.345 1391 I HN 0.546 nan 8.210 nan 0.000 0.461 1392 A N 5.832 128.898 122.820 0.409 0.000 2.587 1392 A HA -0.058 4.263 4.320 0.000 0.000 0.233 1392 A C 1.458 179.234 177.584 0.320 0.000 1.049 1392 A CA 0.189 52.465 52.037 0.398 0.000 0.754 1392 A CB 0.125 19.242 19.000 0.196 0.000 0.977 1392 A HN 0.922 nan 8.150 nan 0.000 0.509 1393 K N 0.739 121.196 120.400 0.093 0.000 2.280 1393 K HA -0.169 4.152 4.320 0.000 0.000 0.202 1393 K C 1.626 178.126 176.600 -0.168 0.000 1.047 1393 K CA 1.795 57.857 56.287 -0.376 0.000 0.942 1393 K CB -0.024 31.756 32.500 -1.200 0.000 0.739 1393 K HN 0.900 nan 8.250 nan 0.000 0.457 1394 E N 0.116 120.282 120.200 -0.056 0.000 2.285 1394 E HA -0.136 4.214 4.350 0.000 0.000 0.194 1394 E C 1.623 178.245 176.600 0.036 0.000 0.997 1394 E CA 0.585 56.970 56.400 -0.024 0.000 0.845 1394 E CB -0.054 29.640 29.700 -0.010 0.000 0.782 1394 E HN 0.330 nan 8.360 nan 0.000 0.491 1395 L N 0.561 121.844 121.223 0.100 0.000 2.416 1395 L HA 0.024 4.364 4.340 0.000 0.000 0.216 1395 L C 2.302 179.277 176.870 0.175 0.000 1.098 1395 L CA -0.187 54.741 54.840 0.146 0.000 0.840 1395 L CB -0.207 41.987 42.059 0.226 0.000 0.981 1395 L HN 0.076 nan 8.230 nan 0.000 0.462 1396 I N 0.905 121.585 120.570 0.183 0.000 2.113 1396 I HA -0.247 3.923 4.170 0.000 0.000 0.242 1396 I C 0.028 176.244 176.117 0.165 0.000 1.057 1396 I CA 2.234 63.660 61.300 0.209 0.000 1.314 1396 I CB -2.401 35.701 38.000 0.170 0.000 1.022 1396 I HN 0.173 nan 8.210 nan 0.000 0.408 1397 P HA -0.191 nan 4.420 nan 0.000 0.213 1397 P C 1.793 179.157 177.300 0.106 0.000 1.170 1397 P CA 1.592 64.744 63.100 0.086 0.000 0.902 1397 P CB -0.041 31.688 31.700 0.047 0.000 0.789 1398 E N -0.646 119.618 120.200 0.107 0.000 2.049 1398 E HA -0.257 4.093 4.350 0.000 0.000 0.198 1398 E C 1.973 178.680 176.600 0.179 0.000 1.007 1398 E CA 1.471 57.947 56.400 0.126 0.000 0.809 1398 E CB -0.615 29.150 29.700 0.109 0.000 0.749 1398 E HN 0.036 nan 8.360 nan 0.000 0.450 1399 A N 0.247 123.183 122.820 0.194 0.000 1.865 1399 A HA -0.233 4.088 4.320 0.000 0.000 0.217 1399 A C 2.418 180.112 177.584 0.184 0.000 1.191 1399 A CA 2.416 54.565 52.037 0.186 0.000 0.623 1399 A CB -1.226 17.933 19.000 0.266 0.000 0.826 1399 A HN 0.385 nan 8.150 nan 0.000 0.444 1400 T N -0.356 114.321 114.554 0.206 0.000 2.665 1400 T HA -0.195 4.155 4.350 0.000 0.000 0.268 1400 T C 1.897 176.704 174.700 0.178 0.000 1.035 1400 T CA 1.838 64.068 62.100 0.217 0.000 1.151 1400 T CB -0.317 68.666 68.868 0.191 0.000 0.862 1400 T HN 0.603 nan 8.240 nan 0.000 0.438 1401 E N 1.352 121.627 120.200 0.124 0.000 2.077 1401 E HA -0.125 4.225 4.350 0.000 0.000 0.193 1401 E C 2.081 178.705 176.600 0.040 0.000 0.989 1401 E CA 1.332 57.779 56.400 0.078 0.000 0.800 1401 E CB -0.286 29.449 29.700 0.058 0.000 0.746 1401 E HN 0.281 nan 8.360 nan 0.000 0.452 1402 K N -1.133 119.269 120.400 0.005 0.000 2.211 1402 K HA -0.138 4.182 4.320 0.000 0.000 0.204 1402 K C 1.431 177.955 176.600 -0.126 0.000 1.047 1402 K CA 1.365 57.541 56.287 -0.184 0.000 0.935 1402 K CB -0.333 31.800 32.500 -0.610 0.000 0.728 1402 K HN 0.246 nan 8.250 nan 0.000 0.452 1403 Y N -0.856 119.371 120.300 -0.122 0.000 2.422 1403 Y HA 0.228 4.779 4.550 0.000 0.000 0.291 1403 Y C 1.559 177.478 175.900 0.031 0.000 1.144 1403 Y CA 0.578 58.660 58.100 -0.030 0.000 1.208 1403 Y CB 0.251 38.751 38.460 0.066 0.000 1.195 1403 Y HN -0.139 nan 8.280 nan 0.000 0.535 1404 L N -1.160 120.201 121.223 0.230 0.000 2.529 1404 L HA 0.193 4.534 4.340 0.000 0.000 0.223 1404 L C 2.201 179.125 176.870 0.089 0.000 1.113 1404 L CA 0.677 55.615 54.840 0.163 0.000 0.861 1404 L CB -0.718 41.452 42.059 0.184 0.000 1.012 1404 L HN 0.245 nan 8.230 nan 0.000 0.461 1405 G N 0.630 109.468 108.800 0.063 0.000 2.564 1405 G HA2 -0.077 3.883 3.960 0.000 0.000 0.216 1405 G HA3 -0.077 3.883 3.960 0.000 0.000 0.216 1405 G C 1.107 176.015 174.900 0.014 0.000 1.124 1405 G CA 0.613 45.731 45.100 0.031 0.000 0.764 1405 G HN 0.454 nan 8.290 nan 0.000 0.550 1406 G N 0.418 109.226 108.800 0.013 0.000 2.820 1406 G HA2 0.296 4.256 3.960 0.000 0.000 0.158 1406 G HA3 0.296 4.256 3.960 0.000 0.000 0.158 1406 G C 0.842 175.751 174.900 0.015 0.000 1.715 1406 G CA 0.639 45.741 45.100 0.003 0.000 1.057 1406 G HN 0.581 nan 8.290 nan 0.000 0.525 1407 T N -0.763 113.801 114.554 0.018 0.000 2.906 1407 T HA 0.053 4.403 4.350 0.000 0.000 0.329 1407 T C 0.303 175.019 174.700 0.028 0.000 1.091 1407 T CA 0.589 62.702 62.100 0.021 0.000 1.127 1407 T CB 0.676 69.558 68.868 0.024 0.000 1.035 1407 T HN 0.371 nan 8.240 nan 0.000 0.547 1408 D N -0.417 119.997 120.400 0.023 0.000 2.340 1408 D HA 0.002 4.642 4.640 0.000 0.000 0.220 1408 D C 0.270 176.586 176.300 0.028 0.000 1.039 1408 D CA 0.034 54.048 54.000 0.024 0.000 0.866 1408 D CB 0.024 40.835 40.800 0.018 0.000 0.913 1408 D HN 0.636 nan 8.370 nan 0.000 0.523 1409 D N 1.982 122.400 120.400 0.031 0.000 2.363 1409 D HA -0.049 4.591 4.640 0.000 0.000 0.263 1409 D C 1.643 177.969 176.300 0.042 0.000 1.258 1409 D CA 0.201 54.221 54.000 0.033 0.000 0.907 1409 D CB 1.163 41.983 40.800 0.034 0.000 1.107 1409 D HN 0.056 nan 8.370 nan 0.000 0.495 1410 T N 0.651 115.227 114.554 0.037 0.000 2.759 1410 T HA -0.172 4.179 4.350 0.000 0.000 0.269 1410 T C 1.977 176.709 174.700 0.053 0.000 1.042 1410 T CA 1.226 63.350 62.100 0.040 0.000 1.140 1410 T CB -0.357 68.529 68.868 0.030 0.000 0.864 1410 T HN 0.231 nan 8.240 nan 0.000 0.455 1411 V N 1.804 121.749 119.914 0.052 0.000 2.427 1411 V HA -0.110 4.010 4.120 0.000 0.000 0.248 1411 V C 2.758 178.900 176.094 0.080 0.000 1.051 1411 V CA 1.839 64.177 62.300 0.063 0.000 1.048 1411 V CB -0.629 31.224 31.823 0.051 0.000 0.666 1411 V HN 0.531 nan 8.190 nan 0.000 0.456 1412 K N 0.051 120.495 120.400 0.073 0.000 2.155 1412 K HA -0.106 4.214 4.320 0.000 0.000 0.203 1412 K C 2.225 178.895 176.600 0.116 0.000 1.052 1412 K CA 0.950 57.288 56.287 0.085 0.000 0.948 1412 K CB -0.175 32.364 32.500 0.065 0.000 0.728 1412 K HN 0.404 nan 8.250 nan 0.000 0.448 1413 K N 1.286 121.753 120.400 0.112 0.000 2.063 1413 K HA -0.190 4.130 4.320 0.000 0.000 0.208 1413 K C 2.147 178.874 176.600 0.211 0.000 1.048 1413 K CA 1.276 57.650 56.287 0.145 0.000 0.928 1413 K CB -0.054 32.507 32.500 0.101 0.000 0.713 1413 K HN 0.081 nan 8.250 nan 0.000 0.442 1414 K N 1.266 121.773 120.400 0.178 0.000 2.032 1414 K HA -0.223 4.097 4.320 0.000 0.000 0.209 1414 K C 1.362 178.143 176.600 0.303 0.000 1.048 1414 K CA 2.223 58.653 56.287 0.238 0.000 0.927 1414 K CB -0.037 32.567 32.500 0.172 0.000 0.712 1414 K HN 0.018 nan 8.250 nan 0.000 0.441 1415 D N 0.803 121.334 120.400 0.219 0.000 2.097 1415 D HA -0.147 4.493 4.640 0.000 0.000 0.195 1415 D C 1.955 178.394 176.300 0.231 0.000 0.989 1415 D CA 1.088 55.208 54.000 0.200 0.000 0.827 1415 D CB -0.163 40.722 40.800 0.142 0.000 0.966 1415 D HN 0.218 nan 8.370 nan 0.000 0.456 1416 L N -0.422 120.945 121.223 0.239 0.000 2.141 1416 L HA -0.111 4.230 4.340 0.000 0.000 0.209 1416 L C 2.181 179.274 176.870 0.372 0.000 1.094 1416 L CA 0.462 55.469 54.840 0.279 0.000 0.763 1416 L CB -0.292 41.911 42.059 0.240 0.000 0.908 1416 L HN 0.006 nan 8.230 nan 0.000 0.437 1417 F N 0.778 120.857 119.950 0.214 0.000 2.146 1417 F HA -0.176 4.351 4.527 0.000 0.000 0.298 1417 F C 2.141 178.059 175.800 0.198 0.000 1.096 1417 F CA 1.408 59.525 58.000 0.195 0.000 1.275 1417 F CB -0.194 38.916 39.000 0.184 0.000 1.008 1417 F HN -0.130 nan 8.300 nan 0.000 0.480 1418 L N -0.112 121.237 121.223 0.210 0.000 2.191 1418 L HA -0.207 4.134 4.340 0.000 0.000 0.212 1418 L C 1.960 178.907 176.870 0.127 0.000 1.103 1418 L CA 1.202 56.156 54.840 0.191 0.000 0.769 1418 L CB -0.744 41.478 42.059 0.273 0.000 0.908 1418 L HN 0.117 nan 8.230 nan 0.000 0.438 1419 D N -0.244 120.257 120.400 0.167 0.000 2.183 1419 D HA -0.132 4.508 4.640 0.000 0.000 0.203 1419 D C 2.171 178.564 176.300 0.156 0.000 0.969 1419 D CA 0.603 54.733 54.000 0.216 0.000 0.842 1419 D CB 0.079 41.065 40.800 0.309 0.000 0.957 1419 D HN 0.133 nan 8.370 nan 0.000 0.484 1420 L N 1.434 122.640 121.223 -0.028 0.000 1.970 1420 L HA -0.169 4.172 4.340 0.000 0.000 0.212 1420 L C 2.248 178.846 176.870 -0.453 0.000 1.071 1420 L CA 1.498 56.042 54.840 -0.495 0.000 0.751 1420 L CB -0.960 40.804 42.059 -0.492 0.000 0.889 1420 L HN -0.013 nan 8.230 nan 0.000 0.432 1421 I N 0.267 120.518 120.570 -0.532 0.000 2.142 1421 I HA -0.287 3.883 4.170 0.000 0.000 0.240 1421 I C 2.780 178.622 176.117 -0.458 0.000 1.078 1421 I CA 1.322 62.236 61.300 -0.643 0.000 1.343 1421 I CB -0.667 36.702 38.000 -1.051 0.000 1.046 1421 I HN 0.318 nan 8.210 nan 0.000 0.405 1422 A N 0.393 123.088 122.820 -0.208 0.000 1.986 1422 A HA -0.277 4.043 4.320 0.000 0.000 0.220 1422 A C 1.939 179.557 177.584 0.056 0.000 1.171 1422 A CA 2.286 54.375 52.037 0.087 0.000 0.640 1422 A CB -0.615 18.499 19.000 0.190 0.000 0.811 1422 A HN 0.408 nan 8.150 nan 0.000 0.451 1423 D N -0.559 119.799 120.400 -0.070 0.000 2.123 1423 D HA -0.054 4.586 4.640 0.000 0.000 0.200 1423 D C 2.083 178.165 176.300 -0.364 0.000 0.976 1423 D CA 1.446 55.387 54.000 -0.098 0.000 0.831 1423 D CB -0.262 40.578 40.800 0.066 0.000 0.974 1423 D HN 0.255 nan 8.370 nan 0.000 0.469 1424 V N 0.988 120.520 119.914 -0.636 0.000 2.515 1424 V HA -0.162 3.959 4.120 0.000 0.000 0.250 1424 V C 2.391 178.172 176.094 -0.521 0.000 1.058 1424 V CA 1.108 62.947 62.300 -0.769 0.000 1.064 1424 V CB -0.343 30.941 31.823 -0.899 0.000 0.675 1424 V HN 0.201 nan 8.190 nan 0.000 0.461 1425 M N -1.680 117.605 119.600 -0.526 0.000 2.287 1425 M HA 0.115 4.595 4.480 0.000 0.000 0.266 1425 M C 1.772 177.515 176.300 -0.928 0.000 1.079 1425 M CA 1.897 56.732 55.300 -0.775 0.000 1.146 1425 M CB -0.037 31.947 32.600 -1.026 0.000 1.374 1425 M HN 0.389 nan 8.290 nan 0.000 0.435 1426 F N -1.479 118.383 119.950 -0.147 0.000 2.421 1426 F HA 0.362 4.889 4.527 0.001 0.000 0.270 1426 F C 2.368 178.105 175.800 -0.106 0.000 0.894 1426 F CA 0.164 58.111 58.000 -0.090 0.000 1.128 1426 F CB -1.357 37.632 39.000 -0.018 0.000 1.011 1426 F HN 0.034 nan 8.300 nan 0.000 0.788 1427 G N 1.497 110.364 108.800 0.113 0.000 2.777 1427 G HA2 -0.263 3.698 3.960 0.000 0.000 0.217 1427 G HA3 -0.263 3.698 3.960 0.000 0.000 0.217 1427 G C 1.668 176.546 174.900 -0.036 0.000 1.295 1427 G CA 2.317 47.431 45.100 0.024 0.000 0.800 1427 G HN 0.166 nan 8.290 nan 0.000 0.637 1428 V N 2.331 122.202 119.914 -0.072 0.000 2.287 1428 V HA -0.134 3.987 4.120 0.000 0.000 0.248 1428 V C 0.439 176.490 176.094 -0.072 0.000 1.053 1428 V CA 2.382 64.645 62.300 -0.062 0.000 1.027 1428 V CB -1.508 30.247 31.823 -0.113 0.000 0.646 1428 V HN 0.318 nan 8.190 nan 0.000 0.447 1429 P HA -0.120 nan 4.420 nan 0.000 0.214 1429 P C 2.074 179.326 177.300 -0.079 0.000 1.163 1429 P CA 2.018 65.061 63.100 -0.094 0.000 0.889 1429 P CB -0.135 31.482 31.700 -0.139 0.000 0.790 1430 S N -0.652 114.996 115.700 -0.086 0.000 2.353 1430 S HA -0.136 4.334 4.470 0.000 0.000 0.222 1430 S C 2.034 176.527 174.600 -0.178 0.000 1.035 1430 S CA 1.509 59.633 58.200 -0.128 0.000 1.025 1430 S CB -1.390 61.734 63.200 -0.128 0.000 0.902 1430 S HN -0.055 nan 8.310 nan 0.000 0.440 1431 V N 2.167 121.988 119.914 -0.155 0.000 2.343 1431 V HA -0.163 3.958 4.120 0.000 0.000 0.247 1431 V C 2.071 178.127 176.094 -0.063 0.000 1.051 1431 V CA 1.502 63.707 62.300 -0.159 0.000 1.036 1431 V CB -0.740 31.037 31.823 -0.077 0.000 0.654 1431 V HN 0.449 nan 8.190 nan 0.000 0.451 1432 I N -0.297 120.258 120.570 -0.024 0.000 2.208 1432 I HA -0.234 3.936 4.170 0.000 0.000 0.245 1432 I C 2.385 178.515 176.117 0.021 0.000 1.097 1432 I CA 1.346 62.656 61.300 0.017 0.000 1.363 1432 I CB -0.516 37.492 38.000 0.013 0.000 1.051 1432 I HN 0.158 nan 8.210 nan 0.000 0.413 1433 V N 1.081 120.986 119.914 -0.015 0.000 2.295 1433 V HA -0.296 3.825 4.120 0.000 0.000 0.246 1433 V C 2.763 178.874 176.094 0.027 0.000 1.049 1433 V CA 1.999 64.308 62.300 0.015 0.000 1.024 1433 V CB -1.042 30.773 31.823 -0.013 0.000 0.648 1433 V HN 0.504 nan 8.190 nan 0.000 0.447 1434 A N 0.015 122.774 122.820 -0.100 0.000 1.908 1434 A HA -0.258 4.063 4.320 0.000 0.000 0.218 1434 A C 2.374 180.041 177.584 0.138 0.000 1.181 1434 A CA 2.056 54.006 52.037 -0.145 0.000 0.627 1434 A CB -0.513 18.158 19.000 -0.549 0.000 0.818 1434 A HN 0.524 nan 8.150 nan 0.000 0.445 1435 R N -0.380 120.244 120.500 0.206 0.000 2.073 1435 R HA -0.108 4.233 4.340 0.000 0.000 0.234 1435 R C 1.990 178.402 176.300 0.187 0.000 1.134 1435 R CA 1.476 57.749 56.100 0.288 0.000 0.952 1435 R CB -0.431 30.000 30.300 0.219 0.000 0.850 1435 R HN 0.545 nan 8.270 nan 0.000 0.433 1436 N N 0.154 118.943 118.700 0.147 0.000 2.166 1436 N HA -0.191 4.550 4.740 0.000 0.000 0.186 1436 N C 1.723 177.325 175.510 0.153 0.000 1.019 1436 N CA 1.316 54.440 53.050 0.125 0.000 0.856 1436 N CB -0.316 38.233 38.487 0.104 0.000 0.993 1436 N HN 0.355 nan 8.380 nan 0.000 0.426 1437 H N 1.314 120.458 119.070 0.124 0.000 2.389 1437 H HA 0.037 4.593 4.556 0.001 0.000 0.299 1437 H C 2.293 177.700 175.328 0.132 0.000 1.081 1437 H CA 1.473 57.615 56.048 0.157 0.000 1.345 1437 H CB 0.155 30.061 29.762 0.239 0.000 1.393 1437 H HN 0.095 nan 8.280 nan 0.000 0.520 1438 R N 0.328 120.948 120.500 0.200 0.000 2.064 1438 R HA -0.118 4.222 4.340 0.000 0.000 0.228 1438 R C 1.312 177.637 176.300 0.043 0.000 1.144 1438 R CA 1.860 58.035 56.100 0.126 0.000 0.932 1438 R CB -0.203 30.205 30.300 0.179 0.000 0.833 1438 R HN 0.389 nan 8.270 nan 0.000 0.429 1439 D N 0.588 121.021 120.400 0.054 0.000 2.311 1439 D HA -0.148 4.492 4.640 0.000 0.000 0.212 1439 D C 1.560 177.864 176.300 0.007 0.000 0.972 1439 D CA 1.215 55.231 54.000 0.028 0.000 0.887 1439 D CB -0.087 40.736 40.800 0.038 0.000 0.915 1439 D HN 0.443 nan 8.370 nan 0.000 0.497 1440 A N 0.075 122.889 122.820 -0.011 0.000 2.014 1440 A HA 0.264 4.584 4.320 0.000 0.000 0.218 1440 A C 1.903 179.456 177.584 -0.053 0.000 1.163 1440 A CA 1.599 53.614 52.037 -0.036 0.000 0.652 1440 A CB -0.118 18.835 19.000 -0.080 0.000 0.808 1440 A HN 0.317 nan 8.150 nan 0.000 0.449 1441 G N -2.919 105.842 108.800 -0.065 0.000 2.141 1441 G HA2 0.300 4.260 3.960 0.000 0.000 0.164 1441 G HA3 0.300 4.260 3.960 0.000 0.000 0.164 1441 G C 0.072 174.935 174.900 -0.062 0.000 1.009 1441 G CA 0.101 45.174 45.100 -0.046 0.000 0.677 1441 G HN 1.518 nan 8.290 nan 0.000 0.508 1442 A N -0.066 122.674 122.820 -0.132 0.000 2.355 1442 A HA 0.912 5.232 4.320 0.000 0.000 0.324 1442 A C -2.644 174.979 177.584 0.065 0.000 1.117 1442 A CA -1.781 50.201 52.037 -0.093 0.000 0.785 1442 A CB 1.355 20.174 19.000 -0.303 0.000 1.254 1442 A HN 0.029 nan 8.150 nan 0.000 0.453 1443 P HA 0.121 nan 4.420 nan 0.000 0.257 1443 P C -0.471 176.993 177.300 0.272 0.000 1.189 1443 P CA 0.989 64.194 63.100 0.175 0.000 0.780 1443 P CB 0.277 32.127 31.700 0.250 0.000 0.772 1444 T N 3.690 118.289 114.554 0.075 0.000 2.885 1444 T HA 0.568 4.918 4.350 0.000 0.000 0.285 1444 T C -0.817 173.733 174.700 -0.251 0.000 1.019 1444 T CA -0.220 61.942 62.100 0.104 0.000 1.010 1444 T CB 0.785 69.801 68.868 0.247 0.000 1.022 1444 T HN 0.111 nan 8.240 nan 0.000 0.466 1445 Y N 0.892 121.167 120.300 -0.042 0.000 2.504 1445 Y HA 0.634 5.185 4.550 0.001 0.000 0.344 1445 Y C -0.122 175.733 175.900 -0.075 0.000 1.023 1445 Y CA -1.041 57.002 58.100 -0.096 0.000 1.020 1445 Y CB 2.011 40.148 38.460 -0.538 0.000 1.282 1445 Y HN 0.388 nan 8.280 nan 0.000 0.454 1446 M N 3.254 123.072 119.600 0.364 0.000 2.619 1446 M HA 0.571 5.052 4.480 0.000 0.000 0.297 1446 M C -1.585 175.022 176.300 0.512 0.000 1.229 1446 M CA -0.999 54.397 55.300 0.161 0.000 0.860 1446 M CB 3.273 35.741 32.600 -0.221 0.000 1.741 1446 M HN 0.761 nan 8.290 nan 0.000 0.462 1447 Y N -1.467 118.988 120.300 0.257 0.000 2.670 1447 Y HA 0.695 5.245 4.550 0.001 0.000 0.334 1447 Y C -1.606 174.398 175.900 0.174 0.000 1.185 1447 Y CA -1.025 57.203 58.100 0.213 0.000 1.053 1447 Y CB 1.510 40.049 38.460 0.133 0.000 1.298 1447 Y HN 0.696 nan 8.280 nan 0.000 0.459 1448 E N 2.420 122.881 120.200 0.436 0.000 2.373 1448 E HA 0.270 4.620 4.350 0.000 0.000 0.251 1448 E C -2.100 174.749 176.600 0.415 0.000 0.923 1448 E CA -0.739 55.854 56.400 0.322 0.000 0.798 1448 E CB 0.894 30.731 29.700 0.229 0.000 1.303 1448 E HN 0.626 nan 8.360 nan 0.000 0.412 1449 F N 3.537 123.719 119.950 0.387 0.000 2.506 1449 F HA 0.116 4.643 4.527 0.000 0.000 0.371 1449 F C 0.033 175.951 175.800 0.195 0.000 1.078 1449 F CA 0.526 58.684 58.000 0.263 0.000 1.195 1449 F CB 0.766 39.934 39.000 0.279 0.000 1.099 1449 F HN 0.469 nan 8.300 nan 0.000 0.548 1450 Q N 7.232 126.865 119.800 -0.278 0.000 2.771 1450 Q HA 0.247 4.587 4.340 0.000 0.000 0.247 1450 Q C -2.176 173.681 176.000 -0.239 0.000 0.986 1450 Q CA -0.572 55.147 55.803 -0.140 0.000 0.713 1450 Q CB 0.790 29.506 28.738 -0.037 0.000 1.241 1450 Q HN 0.800 nan 8.270 nan 0.000 0.488 1451 Y N 0.637 120.688 120.300 -0.416 0.000 2.565 1451 Y HA 0.347 4.897 4.550 0.000 0.000 0.330 1451 Y C -1.899 173.992 175.900 -0.015 0.000 1.150 1451 Y CA -0.862 57.060 58.100 -0.297 0.000 1.055 1451 Y CB 1.466 39.605 38.460 -0.534 0.000 1.337 1451 Y HN 0.446 nan 8.280 nan 0.000 0.457 1452 R N 6.955 127.115 120.500 -0.567 0.000 2.247 1452 R HA 0.459 4.799 4.340 0.000 0.000 0.329 1452 R C -2.725 173.339 176.300 -0.393 0.000 1.014 1452 R CA -2.032 53.880 56.100 -0.314 0.000 0.907 1452 R CB 0.800 30.922 30.300 -0.297 0.000 1.146 1452 R HN 0.418 nan 8.270 nan 0.000 0.499 1453 P HA -0.048 nan 4.420 nan 0.000 0.267 1453 P C 0.194 177.293 177.300 -0.335 0.000 1.200 1453 P CA 0.137 63.212 63.100 -0.042 0.000 0.772 1453 P CB 1.332 33.057 31.700 0.042 0.000 0.855 1454 S N 1.131 116.489 115.700 -0.571 0.000 2.515 1454 S HA -0.065 4.406 4.470 0.000 0.000 0.231 1454 S C 1.175 175.365 174.600 -0.684 0.000 0.987 1454 S CA 0.378 58.194 58.200 -0.642 0.000 0.936 1454 S CB -1.071 61.689 63.200 -0.734 0.000 0.766 1454 S HN 0.393 nan 8.310 nan 0.000 0.528 1455 F N 2.365 122.075 119.950 -0.401 0.000 2.731 1455 F HA 0.383 4.911 4.527 0.000 0.000 0.304 1455 F C 1.325 176.867 175.800 -0.431 0.000 1.133 1455 F CA -0.543 57.172 58.000 -0.475 0.000 1.380 1455 F CB -0.508 38.030 39.000 -0.771 0.000 1.079 1455 F HN 0.033 nan 8.300 nan 0.000 0.550 1456 S N -0.059 115.497 115.700 -0.240 0.000 2.598 1456 S HA 0.081 4.552 4.470 0.000 0.000 0.256 1456 S C 0.603 175.142 174.600 -0.102 0.000 1.350 1456 S CA -0.597 57.528 58.200 -0.126 0.000 0.984 1456 S CB 0.764 63.868 63.200 -0.160 0.000 0.930 1456 S HN 0.315 nan 8.310 nan 0.000 0.577 1457 S N -0.145 115.487 115.700 -0.114 0.000 2.593 1457 S HA 0.067 4.537 4.470 0.000 0.000 0.269 1457 S C 0.721 175.174 174.600 -0.245 0.000 1.334 1457 S CA -0.515 57.606 58.200 -0.132 0.000 1.015 1457 S CB 0.205 63.347 63.200 -0.098 0.000 0.912 1457 S HN 0.632 nan 8.310 nan 0.000 0.541 1458 D N 2.528 122.837 120.400 -0.153 0.000 2.224 1458 D HA -0.036 4.605 4.640 0.000 0.000 0.205 1458 D C 1.262 177.442 176.300 -0.199 0.000 0.965 1458 D CA 1.139 55.048 54.000 -0.152 0.000 0.852 1458 D CB -0.007 40.746 40.800 -0.079 0.000 0.947 1458 D HN 0.622 nan 8.370 nan 0.000 0.494 1459 M N 0.538 120.013 119.600 -0.209 0.000 2.568 1459 M HA 0.033 4.513 4.480 0.000 0.000 0.226 1459 M C 0.741 176.690 176.300 -0.585 0.000 1.148 1459 M CA 0.271 55.464 55.300 -0.179 0.000 1.007 1459 M CB 0.143 32.812 32.600 0.115 0.000 1.651 1459 M HN -0.262 nan 8.290 nan 0.000 0.488 1460 K N 3.250 123.102 120.400 -0.913 0.000 2.234 1460 K HA 0.305 4.625 4.320 0.000 0.000 0.277 1460 K C -2.339 173.906 176.600 -0.592 0.000 1.038 1460 K CA -1.782 53.734 56.287 -1.286 0.000 0.888 1460 K CB 1.087 32.862 32.500 -1.208 0.000 1.091 1460 K HN -0.087 nan 8.250 nan 0.000 0.467 1461 P HA -0.025 nan 4.420 nan 0.000 0.266 1461 P C -0.698 176.495 177.300 -0.178 0.000 1.195 1461 P CA 0.131 63.107 63.100 -0.207 0.000 0.768 1461 P CB 0.606 32.246 31.700 -0.100 0.000 0.838 1462 K N 0.834 121.149 120.400 -0.141 0.000 2.569 1462 K HA 0.009 4.329 4.320 0.000 0.000 0.193 1462 K C 1.322 177.862 176.600 -0.100 0.000 1.026 1462 K CA 0.791 56.999 56.287 -0.133 0.000 1.093 1462 K CB -0.348 32.077 32.500 -0.125 0.000 0.849 1462 K HN 0.600 nan 8.250 nan 0.000 0.509 1463 T N -3.247 111.264 114.554 -0.072 0.000 3.040 1463 T HA 0.110 4.460 4.350 0.000 0.000 0.250 1463 T C 0.595 175.282 174.700 -0.022 0.000 1.058 1463 T CA -0.304 61.772 62.100 -0.041 0.000 0.988 1463 T CB 0.215 69.073 68.868 -0.017 0.000 0.993 1463 T HN -0.201 nan 8.240 nan 0.000 0.519 1464 V N 2.639 122.537 119.914 -0.027 0.000 2.353 1464 V HA 0.446 4.567 4.120 0.000 0.000 0.264 1464 V C -0.136 175.963 176.094 0.008 0.000 1.049 1464 V CA -0.700 61.609 62.300 0.015 0.000 0.896 1464 V CB 0.436 32.288 31.823 0.049 0.000 1.025 1464 V HN 0.494 nan 8.190 nan 0.000 0.475 1465 I N 3.990 124.573 120.570 0.022 0.000 2.378 1465 I HA 0.593 4.764 4.170 0.000 0.000 0.291 1465 I C 0.949 177.122 176.117 0.093 0.000 0.992 1465 I CA -0.132 61.177 61.300 0.015 0.000 1.154 1465 I CB 1.703 39.680 38.000 -0.037 0.000 1.315 1465 I HN 0.800 nan 8.210 nan 0.000 0.448 1466 G N 4.211 113.111 108.800 0.166 0.000 2.248 1466 G HA2 -0.226 3.735 3.960 0.000 0.000 0.252 1466 G HA3 -0.226 3.735 3.960 0.000 0.000 0.252 1466 G C -0.157 174.901 174.900 0.264 0.000 1.085 1466 G CA -0.078 45.193 45.100 0.286 0.000 0.845 1466 G HN 0.693 nan 8.290 nan 0.000 0.494 1467 D N -0.707 119.846 120.400 0.256 0.000 2.349 1467 D HA 0.296 4.936 4.640 0.000 0.000 0.239 1467 D C 0.929 177.395 176.300 0.278 0.000 1.315 1467 D CA -0.223 53.933 54.000 0.261 0.000 0.937 1467 D CB 0.294 41.275 40.800 0.302 0.000 1.133 1467 D HN 0.374 nan 8.370 nan 0.000 0.489 1468 H N -0.968 118.190 119.070 0.146 0.000 2.929 1468 H HA 0.353 4.909 4.556 0.000 0.000 0.317 1468 H C 1.227 176.677 175.328 0.203 0.000 1.031 1468 H CA 1.387 57.489 56.048 0.090 0.000 1.466 1468 H CB 0.173 29.972 29.762 0.062 0.000 1.482 1468 H HN 0.564 nan 8.280 nan 0.000 0.561 1469 G N 4.428 113.101 108.800 -0.212 0.000 2.162 1469 G HA2 -0.339 3.621 3.960 0.000 0.000 0.260 1469 G HA3 -0.339 3.621 3.960 0.000 0.000 0.260 1469 G C 1.119 175.951 174.900 -0.114 0.000 0.976 1469 G CA 0.556 45.468 45.100 -0.313 0.000 0.655 1469 G HN 0.667 nan 8.290 nan 0.000 0.533 1470 D N 0.765 121.232 120.400 0.111 0.000 2.218 1470 D HA -0.044 4.596 4.640 0.000 0.000 0.204 1470 D C 2.409 178.726 176.300 0.027 0.000 0.976 1470 D CA 1.355 55.536 54.000 0.303 0.000 0.853 1470 D CB -0.002 41.073 40.800 0.459 0.000 0.939 1470 D HN 0.728 nan 8.370 nan 0.000 0.481 1471 E N 0.954 120.806 120.200 -0.580 0.000 2.358 1471 E HA -0.105 4.245 4.350 0.000 0.000 0.195 1471 E C 2.119 178.388 176.600 -0.551 0.000 1.010 1471 E CA 0.135 55.797 56.400 -1.231 0.000 0.856 1471 E CB -0.728 28.146 29.700 -1.376 0.000 0.795 1471 E HN 0.320 nan 8.360 nan 0.000 0.504 1472 L N -0.139 120.847 121.223 -0.395 0.000 2.189 1472 L HA -0.132 4.209 4.340 0.000 0.000 0.214 1472 L C 2.125 178.754 176.870 -0.402 0.000 1.097 1472 L CA 1.229 55.832 54.840 -0.395 0.000 0.764 1472 L CB -0.487 41.199 42.059 -0.623 0.000 0.900 1472 L HN 0.033 nan 8.230 nan 0.000 0.436 1473 F N -1.258 118.617 119.950 -0.126 0.000 2.293 1473 F HA -0.089 4.439 4.527 0.000 0.000 0.297 1473 F C 2.575 178.326 175.800 -0.081 0.000 1.089 1473 F CA 0.829 58.775 58.000 -0.089 0.000 1.377 1473 F CB -0.333 38.700 39.000 0.055 0.000 1.051 1473 F HN -0.056 nan 8.300 nan 0.000 0.511 1474 S N -0.146 115.579 115.700 0.041 0.000 2.362 1474 S HA -0.086 4.384 4.470 0.000 0.000 0.221 1474 S C 2.258 176.716 174.600 -0.238 0.000 1.032 1474 S CA 0.916 59.087 58.200 -0.049 0.000 0.973 1474 S CB -0.504 62.676 63.200 -0.033 0.000 0.849 1474 S HN 0.107 nan 8.310 nan 0.000 0.465 1475 V N 0.718 120.369 119.914 -0.438 0.000 2.392 1475 V HA -0.105 4.015 4.120 0.000 0.000 0.249 1475 V C 1.171 176.896 176.094 -0.614 0.000 1.059 1475 V CA 1.563 63.450 62.300 -0.689 0.000 1.051 1475 V CB -0.670 30.702 31.823 -0.751 0.000 0.658 1475 V HN 0.454 nan 8.190 nan 0.000 0.455 1476 F N 0.244 120.008 119.950 -0.311 0.000 2.750 1476 F HA 0.492 5.019 4.527 0.000 0.000 0.297 1476 F C 1.598 177.301 175.800 -0.161 0.000 1.138 1476 F CA 0.245 58.088 58.000 -0.261 0.000 1.346 1476 F CB -0.116 38.672 39.000 -0.352 0.000 0.965 1476 F HN 0.199 nan 8.300 nan 0.000 0.514 1477 G N 1.067 109.878 108.800 0.019 0.000 2.421 1477 G HA2 -0.310 3.650 3.960 0.000 0.000 0.300 1477 G HA3 -0.310 3.650 3.960 0.000 0.000 0.300 1477 G C 1.297 176.285 174.900 0.146 0.000 0.974 1477 G CA 0.417 45.640 45.100 0.206 0.000 1.062 1477 G HN 0.602 nan 8.290 nan 0.000 0.514 1478 A N 0.258 123.061 122.820 -0.029 0.000 1.940 1478 A HA 0.063 4.384 4.320 0.000 0.000 0.219 1478 A C 0.709 178.100 177.584 -0.322 0.000 1.176 1478 A CA 2.092 53.982 52.037 -0.245 0.000 0.631 1478 A CB -0.784 17.976 19.000 -0.400 0.000 0.814 1478 A HN 0.488 nan 8.150 nan 0.000 0.446 1479 P HA -0.130 nan 4.420 nan 0.000 0.221 1479 P C 0.510 177.590 177.300 -0.367 0.000 1.145 1479 P CA 0.949 63.933 63.100 -0.194 0.000 0.795 1479 P CB -0.163 31.305 31.700 -0.388 0.000 0.775 1480 F N -2.483 117.472 119.950 0.010 0.000 2.732 1480 F HA 0.195 4.722 4.527 0.000 0.000 0.303 1480 F C 1.691 177.514 175.800 0.037 0.000 1.110 1480 F CA 0.393 58.421 58.000 0.046 0.000 1.355 1480 F CB -0.279 38.750 39.000 0.047 0.000 1.081 1480 F HN -0.150 nan 8.300 nan 0.000 0.565 1481 L N -1.776 119.504 121.223 0.095 0.000 2.758 1481 L HA 0.222 4.562 4.340 0.000 0.000 0.234 1481 L C 0.986 177.867 176.870 0.018 0.000 1.049 1481 L CA 0.103 54.975 54.840 0.053 0.000 0.908 1481 L CB 0.126 42.189 42.059 0.006 0.000 1.362 1481 L HN -0.210 nan 8.230 nan 0.000 0.499 1482 K N 0.538 120.920 120.400 -0.029 0.000 2.520 1482 K HA 0.424 4.745 4.320 0.000 0.000 0.256 1482 K C -0.538 176.131 176.600 0.116 0.000 1.033 1482 K CA -0.490 55.813 56.287 0.028 0.000 1.007 1482 K CB 0.861 33.341 32.500 -0.034 0.000 1.330 1482 K HN -0.060 nan 8.250 nan 0.000 0.507 1483 E N -1.462 118.835 120.200 0.162 0.000 2.299 1483 E HA 0.365 4.715 4.350 0.000 0.000 0.265 1483 E C -0.096 176.567 176.600 0.105 0.000 0.911 1483 E CA -0.386 56.084 56.400 0.117 0.000 0.789 1483 E CB 1.845 31.586 29.700 0.068 0.000 1.246 1483 E HN 0.766 nan 8.360 nan 0.000 0.427 1484 G N 0.644 109.464 108.800 0.034 0.000 2.195 1484 G HA2 -0.288 3.673 3.960 0.000 0.000 0.246 1484 G HA3 -0.288 3.673 3.960 0.000 0.000 0.246 1484 G C 0.353 175.192 174.900 -0.102 0.000 0.984 1484 G CA -0.113 44.963 45.100 -0.039 0.000 0.633 1484 G HN 0.757 nan 8.290 nan 0.000 0.525 1485 A N 0.870 123.651 122.820 -0.066 0.000 2.524 1485 A HA 0.606 4.926 4.320 0.000 0.000 0.250 1485 A C 1.144 178.675 177.584 -0.090 0.000 1.078 1485 A CA 1.112 53.076 52.037 -0.121 0.000 0.761 1485 A CB 0.111 19.137 19.000 0.044 0.000 1.012 1485 A HN 2.024 nan 8.150 nan 0.000 0.500 1486 S N 1.478 117.120 115.700 -0.097 0.000 2.600 1486 S HA 0.180 4.650 4.470 0.000 0.000 0.265 1486 S C 0.905 175.479 174.600 -0.043 0.000 1.325 1486 S CA 0.362 58.527 58.200 -0.058 0.000 1.002 1486 S CB 0.830 64.003 63.200 -0.046 0.000 0.921 1486 S HN 0.777 nan 8.310 nan 0.000 0.554 1487 E N 0.402 120.586 120.200 -0.027 0.000 2.265 1487 E HA -0.177 4.173 4.350 0.000 0.000 0.196 1487 E C 1.742 178.330 176.600 -0.019 0.000 0.996 1487 E CA 1.648 58.037 56.400 -0.018 0.000 0.832 1487 E CB -0.276 29.422 29.700 -0.004 0.000 0.756 1487 E HN 0.812 nan 8.360 nan 0.000 0.491 1488 E N -0.009 120.183 120.200 -0.014 0.000 2.072 1488 E HA -0.195 4.155 4.350 0.000 0.000 0.190 1488 E C 1.869 178.436 176.600 -0.055 0.000 0.982 1488 E CA 1.007 57.400 56.400 -0.013 0.000 0.803 1488 E CB -0.030 29.689 29.700 0.032 0.000 0.755 1488 E HN 0.382 nan 8.360 nan 0.000 0.453 1489 E N 0.237 120.418 120.200 -0.033 0.000 2.072 1489 E HA -0.138 4.212 4.350 0.000 0.000 0.190 1489 E C 2.191 178.734 176.600 -0.095 0.000 0.982 1489 E CA 0.717 57.080 56.400 -0.062 0.000 0.803 1489 E CB 0.015 29.727 29.700 0.020 0.000 0.755 1489 E HN 0.296 nan 8.360 nan 0.000 0.453 1490 I N 0.519 121.019 120.570 -0.116 0.000 2.335 1490 I HA -0.282 3.888 4.170 0.000 0.000 0.251 1490 I C 2.712 178.800 176.117 -0.048 0.000 1.129 1490 I CA 0.985 62.158 61.300 -0.211 0.000 1.402 1490 I CB -0.236 37.667 38.000 -0.162 0.000 1.069 1490 I HN 0.067 nan 8.210 nan 0.000 0.424 1491 R N 0.807 121.295 120.500 -0.019 0.000 2.062 1491 R HA -0.144 4.197 4.340 0.000 0.000 0.226 1491 R C 2.371 178.668 176.300 -0.006 0.000 1.125 1491 R CA 1.019 57.130 56.100 0.018 0.000 0.966 1491 R CB -0.190 30.110 30.300 -0.000 0.000 0.861 1491 R HN 0.171 nan 8.270 nan 0.000 0.433 1492 L N 0.672 121.847 121.223 -0.079 0.000 2.013 1492 L HA -0.196 4.144 4.340 0.000 0.000 0.212 1492 L C 2.289 179.136 176.870 -0.039 0.000 1.073 1492 L CA 2.288 57.059 54.840 -0.116 0.000 0.753 1492 L CB -0.953 40.915 42.059 -0.319 0.000 0.890 1492 L HN 0.180 nan 8.230 nan 0.000 0.432 1493 S N -0.823 114.868 115.700 -0.015 0.000 2.353 1493 S HA -0.273 4.197 4.470 0.000 0.000 0.222 1493 S C 2.101 176.749 174.600 0.080 0.000 1.035 1493 S CA 1.802 60.028 58.200 0.043 0.000 1.025 1493 S CB -0.286 62.968 63.200 0.090 0.000 0.902 1493 S HN 0.554 nan 8.310 nan 0.000 0.440 1494 K N 0.254 120.746 120.400 0.155 0.000 2.113 1494 K HA -0.162 4.159 4.320 0.000 0.000 0.208 1494 K C 2.312 178.928 176.600 0.027 0.000 1.047 1494 K CA 1.808 58.158 56.287 0.105 0.000 0.928 1494 K CB -0.298 32.298 32.500 0.160 0.000 0.716 1494 K HN 0.510 nan 8.250 nan 0.000 0.446 1495 M N 0.725 120.336 119.600 0.017 0.000 2.064 1495 M HA -0.183 4.297 4.480 0.000 0.000 0.260 1495 M C 2.048 178.390 176.300 0.069 0.000 1.073 1495 M CA 1.582 56.874 55.300 -0.012 0.000 1.124 1495 M CB -0.059 32.560 32.600 0.032 0.000 1.326 1495 M HN -0.071 nan 8.290 nan 0.000 0.410 1496 V N 1.347 121.316 119.914 0.093 0.000 2.250 1496 V HA -0.380 3.741 4.120 0.000 0.000 0.250 1496 V C 2.496 178.580 176.094 -0.016 0.000 1.060 1496 V CA 2.461 64.775 62.300 0.024 0.000 1.030 1496 V CB -0.838 30.788 31.823 -0.328 0.000 0.643 1496 V HN 0.597 nan 8.190 nan 0.000 0.445 1497 M N -1.069 118.470 119.600 -0.101 0.000 2.108 1497 M HA -0.202 4.278 4.480 0.000 0.000 0.261 1497 M C 2.394 178.741 176.300 0.078 0.000 1.066 1497 M CA 1.744 57.005 55.300 -0.066 0.000 1.107 1497 M CB -0.593 31.947 32.600 -0.099 0.000 1.356 1497 M HN 0.209 nan 8.290 nan 0.000 0.406 1498 K N 0.294 120.723 120.400 0.047 0.000 2.009 1498 K HA -0.124 4.196 4.320 0.000 0.000 0.210 1498 K C 1.818 178.490 176.600 0.121 0.000 1.049 1498 K CA 1.759 58.056 56.287 0.017 0.000 0.929 1498 K CB -0.686 31.737 32.500 -0.128 0.000 0.714 1498 K HN 0.320 nan 8.250 nan 0.000 0.440 1499 F N -0.369 119.719 119.950 0.229 0.000 2.046 1499 F HA -0.263 4.265 4.527 0.001 0.000 0.297 1499 F C 2.640 178.629 175.800 0.315 0.000 1.123 1499 F CA 1.023 59.214 58.000 0.320 0.000 1.199 1499 F CB -0.352 38.995 39.000 0.580 0.000 0.972 1499 F HN 0.229 nan 8.300 nan 0.000 0.474 1500 W N 0.166 121.568 121.300 0.169 0.000 2.333 1500 W HA -0.289 4.372 4.660 0.001 0.000 0.316 1500 W C 2.655 179.174 176.519 0.000 0.000 1.215 1500 W CA 0.974 58.327 57.345 0.014 0.000 1.278 1500 W CB -0.752 28.649 29.460 -0.099 0.000 1.154 1500 W HN 0.041 nan 8.180 nan 0.000 0.486 1501 A N 0.728 123.685 122.820 0.228 0.000 1.883 1501 A HA -0.260 4.060 4.320 0.000 0.000 0.217 1501 A C 1.744 179.374 177.584 0.076 0.000 1.186 1501 A CA 2.036 54.130 52.037 0.095 0.000 0.624 1501 A CB -1.217 17.823 19.000 0.067 0.000 0.822 1501 A HN 0.284 nan 8.150 nan 0.000 0.444 1502 N N -1.016 117.748 118.700 0.106 0.000 2.094 1502 N HA -0.174 4.567 4.740 0.000 0.000 0.191 1502 N C 1.434 176.973 175.510 0.049 0.000 1.023 1502 N CA 1.624 54.718 53.050 0.072 0.000 0.857 1502 N CB -0.616 37.929 38.487 0.097 0.000 1.013 1502 N HN 0.525 nan 8.380 nan 0.000 0.426 1503 F N 1.717 121.602 119.950 -0.108 0.000 2.102 1503 F HA -0.089 4.438 4.527 0.000 0.000 0.298 1503 F C 2.254 177.970 175.800 -0.140 0.000 1.105 1503 F CA 1.341 59.215 58.000 -0.210 0.000 1.239 1503 F CB -0.671 38.108 39.000 -0.368 0.000 0.991 1503 F HN 0.040 nan 8.300 nan 0.000 0.474 1504 A N 0.501 123.259 122.820 -0.104 0.000 1.948 1504 A HA -0.216 4.104 4.320 0.000 0.000 0.220 1504 A C 2.359 179.845 177.584 -0.163 0.000 1.177 1504 A CA 1.906 53.848 52.037 -0.158 0.000 0.636 1504 A CB -0.676 18.276 19.000 -0.078 0.000 0.815 1504 A HN 0.478 nan 8.150 nan 0.000 0.449 1505 R N -0.557 119.875 120.500 -0.114 0.000 2.065 1505 R HA -0.020 4.320 4.340 0.000 0.000 0.224 1505 R C 1.114 177.339 176.300 -0.125 0.000 1.161 1505 R CA 1.421 57.466 56.100 -0.092 0.000 0.923 1505 R CB -0.337 29.937 30.300 -0.044 0.000 0.822 1505 R HN 0.538 nan 8.270 nan 0.000 0.437 1506 N N -0.458 118.170 118.700 -0.121 0.000 2.280 1506 N HA 0.059 4.800 4.740 0.000 0.000 0.192 1506 N C 0.636 176.038 175.510 -0.180 0.000 1.109 1506 N CA 0.863 53.845 53.050 -0.112 0.000 0.855 1506 N CB 1.351 39.812 38.487 -0.045 0.000 0.974 1506 N HN 0.483 nan 8.380 nan 0.000 0.482 1507 G N 1.451 110.014 108.800 -0.395 0.000 2.160 1507 G HA2 -0.269 3.691 3.960 0.000 0.000 0.251 1507 G HA3 -0.269 3.691 3.960 0.000 0.000 0.251 1507 G C -0.194 174.551 174.900 -0.259 0.000 1.008 1507 G CA 0.110 44.820 45.100 -0.650 0.000 0.724 1507 G HN 0.480 nan 8.290 nan 0.000 0.514 1508 N N -0.479 118.157 118.700 -0.106 0.000 2.478 1508 N HA 0.357 5.097 4.740 0.000 0.000 0.291 1508 N C -1.485 173.986 175.510 -0.066 0.000 1.090 1508 N CA -1.233 51.795 53.050 -0.036 0.000 0.911 1508 N CB 2.309 40.829 38.487 0.054 0.000 1.546 1508 N HN -0.057 nan 8.380 nan 0.000 0.500 1509 P HA -0.093 nan 4.420 nan 0.000 0.220 1509 P C -0.014 177.449 177.300 0.272 0.000 1.148 1509 P CA 0.697 63.742 63.100 -0.092 0.000 0.803 1509 P CB 0.331 31.585 31.700 -0.743 0.000 0.782 1510 N N 0.763 119.570 118.700 0.178 0.000 2.344 1510 N HA 0.253 4.994 4.740 0.000 0.000 0.236 1510 N C 0.890 176.495 175.510 0.157 0.000 1.279 1510 N CA 1.275 54.486 53.050 0.268 0.000 0.882 1510 N CB 0.202 38.842 38.487 0.254 0.000 1.110 1510 N HN 0.158 nan 8.380 nan 0.000 0.436 1511 G N -0.127 108.748 108.800 0.126 0.000 2.443 1511 G HA2 0.146 4.107 3.960 0.000 0.000 0.303 1511 G HA3 0.146 4.107 3.960 0.000 0.000 0.303 1511 G C -1.240 173.683 174.900 0.039 0.000 1.613 1511 G CA -0.826 44.310 45.100 0.060 0.000 0.879 1511 G HN 0.594 nan 8.290 nan 0.000 0.632 1512 E N 0.048 120.271 120.200 0.038 0.000 2.465 1512 E HA 0.397 4.747 4.350 0.000 0.000 0.260 1512 E C 1.111 177.712 176.600 0.001 0.000 0.980 1512 E CA 0.432 56.850 56.400 0.030 0.000 0.927 1512 E CB 0.869 30.585 29.700 0.028 0.000 0.934 1512 E HN 2.123 nan 8.360 nan 0.000 0.459 1513 G N 2.791 111.592 108.800 0.001 0.000 2.184 1513 G HA2 -0.188 3.772 3.960 0.000 0.000 0.206 1513 G HA3 -0.188 3.772 3.960 0.000 0.000 0.206 1513 G C -0.155 174.712 174.900 -0.055 0.000 0.995 1513 G CA -0.064 45.023 45.100 -0.021 0.000 0.651 1513 G HN 0.440 nan 8.290 nan 0.000 0.511 1514 L N 0.162 121.351 121.223 -0.055 0.000 2.409 1514 L HA 0.591 4.931 4.340 0.000 0.000 0.262 1514 L C -2.183 174.745 176.870 0.096 0.000 0.992 1514 L CA -2.408 52.366 54.840 -0.110 0.000 0.817 1514 L CB 1.939 43.711 42.059 -0.480 0.000 1.350 1514 L HN -0.144 nan 8.230 nan 0.000 0.411 1515 P HA -0.004 nan 4.420 nan 0.000 0.269 1515 P C -0.985 176.546 177.300 0.385 0.000 1.217 1515 P CA -0.117 63.138 63.100 0.258 0.000 0.783 1515 P CB 0.255 32.094 31.700 0.232 0.000 0.898 1516 H N 1.145 120.351 119.070 0.225 0.000 2.722 1516 H HA 0.186 4.742 4.556 0.000 0.000 0.328 1516 H C -1.067 174.453 175.328 0.320 0.000 1.067 1516 H CA -0.071 56.137 56.048 0.267 0.000 1.447 1516 H CB 0.204 30.076 29.762 0.183 0.000 1.469 1516 H HN 0.343 nan 8.280 nan 0.000 0.544 1517 W N 10.036 131.125 121.300 -0.353 0.000 2.282 1517 W HA 0.303 4.963 4.660 0.000 0.000 0.322 1517 W C -2.765 173.546 176.519 -0.347 0.000 1.011 1517 W CA -3.175 54.022 57.345 -0.247 0.000 1.392 1517 W CB 0.768 30.130 29.460 -0.164 0.000 1.215 1517 W HN 0.583 nan 8.180 nan 0.000 0.394 1518 P HA 0.017 nan 4.420 nan 0.000 0.272 1518 P C -0.441 177.063 177.300 0.339 0.000 1.223 1518 P CA 0.224 63.445 63.100 0.202 0.000 0.784 1518 P CB 1.305 33.136 31.700 0.218 0.000 0.923 1519 E N 1.320 121.596 120.200 0.127 0.000 2.289 1519 E HA 0.022 4.372 4.350 0.000 0.000 0.278 1519 E C -0.723 175.839 176.600 -0.064 0.000 1.032 1519 E CA -0.669 55.584 56.400 -0.245 0.000 0.854 1519 E CB 0.209 29.741 29.700 -0.281 0.000 1.046 1519 E HN 0.351 nan 8.360 nan 0.000 0.409 1520 Y N 6.336 126.520 120.300 -0.193 0.000 2.619 1520 Y HA -0.044 4.507 4.550 0.000 0.000 0.339 1520 Y C -0.029 175.848 175.900 -0.039 0.000 1.224 1520 Y CA -0.017 58.064 58.100 -0.033 0.000 1.946 1520 Y CB -0.849 37.606 38.460 -0.008 0.000 1.957 1520 Y HN 0.511 nan 8.280 nan 0.000 0.421 1521 N N -0.184 118.394 118.700 -0.202 0.000 2.718 1521 N HA 0.052 4.793 4.740 0.000 0.000 0.298 1521 N C 0.936 176.296 175.510 -0.251 0.000 1.369 1521 N CA -0.071 52.878 53.050 -0.168 0.000 0.839 1521 N CB 0.005 38.444 38.487 -0.080 0.000 1.108 1521 N HN 0.184 nan 8.380 nan 0.000 0.489 1522 Q N -0.310 119.406 119.800 -0.140 0.000 2.124 1522 Q HA -0.018 4.323 4.340 0.000 0.000 0.202 1522 Q C 1.483 177.403 176.000 -0.132 0.000 0.977 1522 Q CA 1.466 57.196 55.803 -0.122 0.000 0.850 1522 Q CB -0.512 28.190 28.738 -0.060 0.000 0.901 1522 Q HN 0.503 nan 8.270 nan 0.000 0.429 1523 K N 1.016 121.355 120.400 -0.102 0.000 2.362 1523 K HA -0.082 4.238 4.320 0.000 0.000 0.200 1523 K C 0.157 176.701 176.600 -0.094 0.000 1.046 1523 K CA 0.260 56.510 56.287 -0.062 0.000 0.952 1523 K CB 0.057 32.548 32.500 -0.014 0.000 0.753 1523 K HN 0.259 nan 8.250 nan 0.000 0.466 1524 E N -0.793 119.248 120.200 -0.266 0.000 2.389 1524 E HA -0.167 4.183 4.350 0.000 0.000 0.243 1524 E C -0.013 176.609 176.600 0.036 0.000 1.154 1524 E CA 0.218 56.342 56.400 -0.461 0.000 0.723 1524 E CB -1.842 27.687 29.700 -0.285 0.000 1.261 1524 E HN 0.481 nan 8.360 nan 0.000 0.390 1525 G N 0.763 109.615 108.800 0.086 0.000 2.442 1525 G HA2 0.379 4.339 3.960 0.000 0.000 0.249 1525 G HA3 0.379 4.339 3.960 0.000 0.000 0.249 1525 G C -0.342 174.811 174.900 0.421 0.000 1.263 1525 G CA 0.105 45.332 45.100 0.212 0.000 0.846 1525 G HN 0.299 nan 8.290 nan 0.000 0.555 1526 Y N 0.320 120.749 120.300 0.214 0.000 2.597 1526 Y HA 0.690 5.241 4.550 0.001 0.000 0.340 1526 Y C -1.335 174.557 175.900 -0.012 0.000 1.097 1526 Y CA -1.893 56.337 58.100 0.217 0.000 1.037 1526 Y CB 1.593 40.177 38.460 0.206 0.000 1.305 1526 Y HN 0.542 nan 8.280 nan 0.000 0.463 1527 L N 2.710 123.763 121.223 -0.283 0.000 2.289 1527 L HA 0.450 4.791 4.340 0.000 0.000 0.285 1527 L C -0.588 176.078 176.870 -0.339 0.000 1.049 1527 L CA -0.260 54.182 54.840 -0.663 0.000 0.804 1527 L CB 1.585 42.677 42.059 -1.612 0.000 1.195 1527 L HN 0.803 nan 8.230 nan 0.000 0.428 1528 Q N 5.462 125.078 119.800 -0.307 0.000 2.421 1528 Q HA 0.426 4.766 4.340 0.000 0.000 0.242 1528 Q C -0.891 175.030 176.000 -0.131 0.000 1.024 1528 Q CA -0.178 55.566 55.803 -0.098 0.000 0.891 1528 Q CB 0.974 29.654 28.738 -0.097 0.000 1.222 1528 Q HN 0.605 nan 8.270 nan 0.000 0.483 1529 I N 1.707 122.226 120.570 -0.085 0.000 2.472 1529 I HA 0.622 4.793 4.170 0.000 0.000 0.290 1529 I C 0.844 176.824 176.117 -0.228 0.000 1.016 1529 I CA -0.024 61.200 61.300 -0.128 0.000 1.348 1529 I CB 1.338 39.320 38.000 -0.029 0.000 1.417 1529 I HN 0.734 nan 8.210 nan 0.000 0.521 1530 G N 2.991 111.639 108.800 -0.254 0.000 2.351 1530 G HA2 0.265 4.226 3.960 0.000 0.000 0.279 1530 G HA3 0.265 4.226 3.960 0.000 0.000 0.279 1530 G C 0.215 175.006 174.900 -0.181 0.000 1.297 1530 G CA -0.092 44.824 45.100 -0.306 0.000 0.886 1530 G HN 0.625 nan 8.290 nan 0.000 0.493 1531 A N -0.660 122.145 122.820 -0.024 0.000 1.978 1531 A HA 0.078 4.399 4.320 0.000 0.000 0.220 1531 A C 1.041 178.613 177.584 -0.020 0.000 1.170 1531 A CA 1.831 53.877 52.037 0.015 0.000 0.636 1531 A CB -0.336 18.745 19.000 0.136 0.000 0.810 1531 A HN 0.490 nan 8.150 nan 0.000 0.448 1532 N N 0.681 119.365 118.700 -0.026 0.000 2.626 1532 N HA 0.249 4.990 4.740 0.000 0.000 0.242 1532 N C -1.391 174.092 175.510 -0.046 0.000 1.005 1532 N CA 0.066 53.100 53.050 -0.027 0.000 0.905 1532 N CB 1.229 39.706 38.487 -0.018 0.000 1.128 1532 N HN 0.096 nan 8.380 nan 0.000 0.512 1533 T N 3.208 117.738 114.554 -0.041 0.000 2.743 1533 T HA 0.343 4.693 4.350 0.000 0.000 0.293 1533 T C 0.112 174.785 174.700 -0.045 0.000 0.945 1533 T CA -0.475 61.593 62.100 -0.053 0.000 1.030 1533 T CB 0.834 69.694 68.868 -0.013 0.000 0.912 1533 T HN 0.412 nan 8.240 nan 0.000 0.483 1534 Q N 1.734 121.478 119.800 -0.093 0.000 2.527 1534 Q HA 0.627 4.967 4.340 0.000 0.000 0.280 1534 Q C -1.256 174.643 176.000 -0.169 0.000 0.977 1534 Q CA -1.092 54.661 55.803 -0.084 0.000 0.837 1534 Q CB 1.318 30.026 28.738 -0.051 0.000 1.454 1534 Q HN 0.579 nan 8.270 nan 0.000 0.387 1535 A N 1.045 123.782 122.820 -0.139 0.000 2.346 1535 A HA 0.834 5.155 4.320 0.000 0.000 0.255 1535 A C -0.001 177.410 177.584 -0.287 0.000 1.113 1535 A CA 0.670 52.578 52.037 -0.215 0.000 0.798 1535 A CB -0.019 18.943 19.000 -0.063 0.000 1.073 1535 A HN 1.518 nan 8.150 nan 0.000 0.502 1536 A N -1.041 121.519 122.820 -0.432 0.000 2.467 1536 A HA 0.665 4.986 4.320 0.000 0.000 0.301 1536 A C -1.143 176.286 177.584 -0.258 0.000 1.126 1536 A CA -0.580 51.211 52.037 -0.411 0.000 0.632 1536 A CB 0.634 19.247 19.000 -0.644 0.000 1.331 1536 A HN 0.853 nan 8.150 nan 0.000 0.482 1537 Q N 0.042 119.866 119.800 0.040 0.000 2.544 1537 Q HA 0.529 4.869 4.340 0.000 0.000 0.291 1537 Q C -1.336 174.901 176.000 0.396 0.000 1.068 1537 Q CA -1.181 54.769 55.803 0.245 0.000 0.785 1537 Q CB 1.785 30.593 28.738 0.116 0.000 1.481 1537 Q HN 0.648 nan 8.270 nan 0.000 0.430 1538 K N 1.275 121.851 120.400 0.293 0.000 5.163 1538 K HA -0.220 4.101 4.320 0.000 0.000 0.320 1538 K C -0.677 176.024 176.600 0.167 0.000 0.822 1538 K CA 0.043 56.453 56.287 0.205 0.000 0.981 1538 K CB -1.118 31.457 32.500 0.125 0.000 1.877 1538 K HN 0.378 nan 8.250 nan 0.000 0.400 1539 L N 2.941 124.175 121.223 0.018 0.000 2.360 1539 L HA 0.093 4.433 4.340 0.000 0.000 0.276 1539 L C 0.613 177.421 176.870 -0.103 0.000 1.121 1539 L CA 0.329 54.983 54.840 -0.309 0.000 0.845 1539 L CB 0.633 42.187 42.059 -0.842 0.000 1.143 1539 L HN 0.409 nan 8.230 nan 0.000 0.452 1540 K N 2.775 123.143 120.400 -0.053 0.000 3.048 1540 K HA -0.303 4.018 4.320 0.000 0.000 0.274 1540 K C 1.005 177.643 176.600 0.063 0.000 1.098 1540 K CA 1.241 57.540 56.287 0.020 0.000 0.807 1540 K CB -1.415 31.091 32.500 0.010 0.000 1.217 1540 K HN 0.959 nan 8.250 nan 0.000 0.477 1541 D N 1.090 121.528 120.400 0.064 0.000 2.116 1541 D HA -0.168 4.472 4.640 0.000 0.000 0.193 1541 D C 1.485 177.837 176.300 0.087 0.000 0.998 1541 D CA 1.713 55.761 54.000 0.081 0.000 0.836 1541 D CB 0.283 41.130 40.800 0.079 0.000 0.951 1541 D HN 0.482 nan 8.370 nan 0.000 0.449 1542 K N 0.337 120.781 120.400 0.073 0.000 2.009 1542 K HA -0.183 4.137 4.320 0.000 0.000 0.210 1542 K C 2.229 178.903 176.600 0.124 0.000 1.049 1542 K CA 1.452 57.779 56.287 0.067 0.000 0.929 1542 K CB -0.091 32.420 32.500 0.018 0.000 0.714 1542 K HN 0.037 nan 8.250 nan 0.000 0.440 1543 E N 0.572 120.869 120.200 0.161 0.000 2.033 1543 E HA -0.188 4.162 4.350 0.000 0.000 0.199 1543 E C 2.053 178.896 176.600 0.406 0.000 1.011 1543 E CA 1.411 58.014 56.400 0.339 0.000 0.815 1543 E CB -0.600 29.320 29.700 0.366 0.000 0.755 1543 E HN 0.021 nan 8.360 nan 0.000 0.451 1544 V N 1.251 121.315 119.914 0.250 0.000 2.250 1544 V HA -0.368 3.752 4.120 0.000 0.000 0.250 1544 V C 2.241 178.438 176.094 0.173 0.000 1.060 1544 V CA 2.135 64.548 62.300 0.189 0.000 1.030 1544 V CB -1.134 30.758 31.823 0.115 0.000 0.643 1544 V HN 0.402 nan 8.190 nan 0.000 0.445 1545 A N -0.238 122.669 122.820 0.145 0.000 1.851 1545 A HA -0.280 4.041 4.320 0.000 0.000 0.216 1545 A C 2.113 179.753 177.584 0.093 0.000 1.195 1545 A CA 2.336 54.436 52.037 0.105 0.000 0.622 1545 A CB -0.844 18.212 19.000 0.093 0.000 0.831 1545 A HN 0.546 nan 8.150 nan 0.000 0.444 1546 F N -0.715 119.215 119.950 -0.035 0.000 2.025 1546 F HA -0.248 4.280 4.527 0.001 0.000 0.297 1546 F C 2.088 177.770 175.800 -0.197 0.000 1.132 1546 F CA 2.125 60.030 58.000 -0.158 0.000 1.191 1546 F CB -0.879 37.951 39.000 -0.284 0.000 0.963 1546 F HN 0.387 nan 8.300 nan 0.000 0.481 1547 W N 0.678 121.843 121.300 -0.225 0.000 2.331 1547 W HA -0.205 4.455 4.660 -0.000 0.000 0.291 1547 W C 2.591 178.836 176.519 -0.457 0.000 1.214 1547 W CA 1.791 58.820 57.345 -0.528 0.000 1.228 1547 W CB -1.135 28.088 29.460 -0.394 0.000 1.135 1547 W HN -0.022 nan 8.180 nan 0.000 0.537 1548 T N -0.121 114.423 114.554 -0.018 0.000 2.746 1548 T HA -0.210 4.140 4.350 0.000 0.000 0.267 1548 T C 1.260 175.950 174.700 -0.016 0.000 1.039 1548 T CA 1.814 63.927 62.100 0.022 0.000 1.142 1548 T CB -0.533 68.361 68.868 0.043 0.000 0.866 1548 T HN 0.322 nan 8.240 nan 0.000 0.444 1549 N N 0.840 119.471 118.700 -0.115 0.000 2.062 1549 N HA -0.040 4.700 4.740 0.000 0.000 0.191 1549 N C 1.820 177.242 175.510 -0.146 0.000 1.042 1549 N CA 0.786 53.764 53.050 -0.119 0.000 0.845 1549 N CB -0.286 38.113 38.487 -0.146 0.000 1.024 1549 N HN 0.094 nan 8.380 nan 0.000 0.424 1550 L N 1.141 122.149 121.223 -0.358 0.000 1.997 1550 L HA -0.164 4.176 4.340 0.000 0.000 0.216 1550 L C 1.789 178.705 176.870 0.076 0.000 1.074 1550 L CA 1.695 56.364 54.840 -0.285 0.000 0.763 1550 L CB -0.891 40.756 42.059 -0.686 0.000 0.890 1550 L HN 0.234 nan 8.230 nan 0.000 0.434 1551 F N -0.733 119.183 119.950 -0.056 0.000 2.333 1551 F HA -0.167 4.360 4.527 0.000 0.000 0.300 1551 F C 2.132 177.930 175.800 -0.004 0.000 1.083 1551 F CA 0.206 58.216 58.000 0.017 0.000 1.395 1551 F CB -0.216 38.815 39.000 0.051 0.000 1.056 1551 F HN 0.305 nan 8.300 nan 0.000 0.529 1552 A N 0.460 123.376 122.820 0.160 0.000 2.276 1552 A HA 0.094 4.414 4.320 0.000 0.000 0.212 1552 A C 0.692 178.306 177.584 0.049 0.000 1.230 1552 A CA 0.287 52.372 52.037 0.079 0.000 0.844 1552 A CB -0.538 18.491 19.000 0.048 0.000 0.860 1552 A HN 0.416 nan 8.150 nan 0.000 0.486 1553 K N 0.000 120.438 120.400 0.064 0.000 2.780 1553 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1553 K CA 0.000 56.313 56.287 0.043 0.000 0.838 1553 K CB 0.000 32.518 32.500 0.030 0.000 1.064 1553 K HN 0.000 nan 8.250 nan 0.000 0.543