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 2hwu_1_A DATA FIRST_RESID 1001 DATA SEQUENCE MSKSDVFHLG LTKNDLQGAQ LAIVPGDPER VEKIAALMDK PVKLASHREF DATA SEQUENCE TSWRAELDGK AVIVCSTGIG GPSTSIAVEE LAQLGIRTFL RIGTTGAIQP DATA SEQUENCE HINVGDVLVT TASVRLDGAS LHFAPMEFPA VADFACTTAL VEAAKSIGAT DATA SEQUENCE THVGVTASSD TFYPGQERYD TYSGRVVRRF KGSMEEWQAM GVMNYEMESA DATA SEQUENCE TLLTMCASQG LRAGMVAGVI VNRTQQEIPN AETMKQTESH AVKIVVEAAR DATA SEQUENCE RLL 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 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.270 176.300 -0.050 0.000 1.140 1001 M CA 0.000 55.274 55.300 -0.044 0.000 0.988 1001 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 1002 S N 0.353 116.012 115.700 -0.068 0.000 2.497 1002 S HA 0.394 4.864 4.470 0.000 0.000 0.193 1002 S C 0.172 174.756 174.600 -0.027 0.000 1.360 1002 S CA -0.363 57.810 58.200 -0.045 0.000 1.204 1002 S CB 0.342 63.511 63.200 -0.051 0.000 1.171 1002 S HN 0.289 nan 8.310 nan 0.000 0.502 1003 K N 0.381 120.769 120.400 -0.020 0.000 4.326 1003 K HA -0.137 4.183 4.320 0.000 0.000 0.299 1003 K C -0.707 175.887 176.600 -0.010 0.000 1.005 1003 K CA 0.699 56.980 56.287 -0.011 0.000 0.935 1003 K CB -1.757 30.739 32.500 -0.006 0.000 1.551 1003 K HN 0.759 nan 8.250 nan 0.000 0.438 1004 S N 0.760 116.451 115.700 -0.015 0.000 2.603 1004 S HA 0.376 4.846 4.470 0.000 0.000 0.274 1004 S C 0.105 174.705 174.600 -0.000 0.000 1.168 1004 S CA -0.710 57.482 58.200 -0.013 0.000 0.963 1004 S CB 1.197 64.368 63.200 -0.048 0.000 1.078 1004 S HN 0.230 nan 8.310 nan 0.000 0.477 1005 D N 1.845 122.252 120.400 0.012 0.000 2.355 1005 D HA 0.117 4.757 4.640 0.000 0.000 0.218 1005 D C 0.859 177.181 176.300 0.036 0.000 1.004 1005 D CA 1.002 55.016 54.000 0.022 0.000 0.880 1005 D CB 0.280 41.093 40.800 0.022 0.000 0.911 1005 D HN 0.482 nan 8.370 nan 0.000 0.528 1006 V N -3.113 116.822 119.914 0.036 0.000 3.040 1006 V HA 0.399 4.519 4.120 0.000 0.000 0.312 1006 V C 0.681 176.813 176.094 0.063 0.000 1.115 1006 V CA -1.074 61.265 62.300 0.065 0.000 0.998 1006 V CB 1.739 33.597 31.823 0.058 0.000 1.042 1006 V HN -0.157 nan 8.190 nan 0.000 0.433 1007 F N 1.063 120.973 119.950 -0.067 0.000 2.128 1007 F HA 0.092 4.620 4.527 0.000 0.000 0.295 1007 F C 2.003 177.642 175.800 -0.268 0.000 1.100 1007 F CA 2.456 60.343 58.000 -0.189 0.000 1.260 1007 F CB -0.075 38.768 39.000 -0.263 0.000 1.009 1007 F HN 0.832 nan 8.300 nan 0.000 0.476 1008 H N -0.760 118.288 119.070 -0.036 0.000 2.337 1008 H HA 0.169 4.725 4.556 0.000 0.000 0.311 1008 H C 2.162 177.450 175.328 -0.066 0.000 1.054 1008 H CA 1.374 57.364 56.048 -0.096 0.000 1.385 1008 H CB -0.479 29.246 29.762 -0.062 0.000 1.437 1008 H HN 0.094 nan 8.280 nan 0.000 0.553 1009 L N -0.017 121.220 121.223 0.023 0.000 2.265 1009 L HA 0.003 4.343 4.340 0.000 0.000 0.215 1009 L C 1.143 178.133 176.870 0.199 0.000 1.117 1009 L CA 0.836 55.719 54.840 0.071 0.000 0.782 1009 L CB -0.627 41.421 42.059 -0.017 0.000 0.914 1009 L HN 0.611 nan 8.230 nan 0.000 0.441 1010 G N 1.024 109.875 108.800 0.084 0.000 2.272 1010 G HA2 -0.266 3.695 3.960 0.000 0.000 0.280 1010 G HA3 -0.266 3.695 3.960 0.000 0.000 0.280 1010 G C -0.173 174.788 174.900 0.102 0.000 1.067 1010 G CA 0.080 45.225 45.100 0.076 0.000 0.902 1010 G HN 0.259 nan 8.290 nan 0.000 0.500 1011 L N -0.350 120.906 121.223 0.056 0.000 2.333 1011 L HA 0.862 5.202 4.340 0.000 0.000 0.263 1011 L C 0.720 177.605 176.870 0.024 0.000 1.014 1011 L CA -0.590 54.276 54.840 0.042 0.000 0.820 1011 L CB 2.443 44.529 42.059 0.045 0.000 1.352 1011 L HN 0.374 nan 8.230 nan 0.000 0.421 1012 T N -3.508 111.056 114.554 0.017 0.000 2.942 1012 T HA 0.370 4.720 4.350 0.000 0.000 0.289 1012 T C 0.581 175.287 174.700 0.010 0.000 1.044 1012 T CA -0.914 61.193 62.100 0.012 0.000 1.023 1012 T CB 2.060 70.932 68.868 0.006 0.000 1.123 1012 T HN 0.515 nan 8.240 nan 0.000 0.512 1013 K N 0.479 120.885 120.400 0.010 0.000 2.152 1013 K HA -0.180 4.140 4.320 0.000 0.000 0.206 1013 K C 2.042 178.643 176.600 0.002 0.000 1.048 1013 K CA 1.673 57.964 56.287 0.007 0.000 0.933 1013 K CB -0.308 32.197 32.500 0.008 0.000 0.721 1013 K HN 0.648 nan 8.250 nan 0.000 0.447 1014 N N 1.504 120.204 118.700 0.000 0.000 2.120 1014 N HA -0.169 4.571 4.740 0.000 0.000 0.188 1014 N C 1.325 176.832 175.510 -0.006 0.000 1.024 1014 N CA 1.485 54.533 53.050 -0.004 0.000 0.852 1014 N CB -0.073 38.411 38.487 -0.005 0.000 1.003 1014 N HN 0.052 nan 8.380 nan 0.000 0.424 1015 D N -0.316 120.080 120.400 -0.006 0.000 2.203 1015 D HA -0.149 4.492 4.640 0.000 0.000 0.199 1015 D C 1.575 177.870 176.300 -0.008 0.000 0.997 1015 D CA 0.785 54.779 54.000 -0.011 0.000 0.863 1015 D CB -0.065 40.730 40.800 -0.008 0.000 0.928 1015 D HN 0.289 nan 8.370 nan 0.000 0.458 1016 L N 0.382 121.603 121.223 -0.003 0.000 2.240 1016 L HA -0.012 4.328 4.340 0.000 0.000 0.211 1016 L C 0.815 177.682 176.870 -0.006 0.000 1.106 1016 L CA 0.586 55.424 54.840 -0.003 0.000 0.793 1016 L CB -0.222 41.834 42.059 -0.005 0.000 0.927 1016 L HN -0.039 nan 8.230 nan 0.000 0.446 1017 Q N -0.094 119.702 119.800 -0.007 0.000 2.453 1017 Q HA -0.247 4.093 4.340 0.000 0.000 0.294 1017 Q C 1.144 177.139 176.000 -0.008 0.000 1.295 1017 Q CA 0.901 56.700 55.803 -0.007 0.000 0.853 1017 Q CB -2.408 26.326 28.738 -0.006 0.000 1.193 1017 Q HN 0.664 nan 8.270 nan 0.000 0.461 1018 G N -1.557 107.237 108.800 -0.010 0.000 2.153 1018 G HA2 -0.257 3.703 3.960 0.000 0.000 0.252 1018 G HA3 -0.257 3.703 3.960 0.000 0.000 0.252 1018 G C 0.331 175.219 174.900 -0.021 0.000 0.994 1018 G CA 0.573 45.665 45.100 -0.013 0.000 0.698 1018 G HN 1.235 nan 8.290 nan 0.000 0.521 1019 A N -0.391 122.415 122.820 -0.023 0.000 2.492 1019 A HA 0.588 4.908 4.320 0.000 0.000 0.254 1019 A C 1.113 178.662 177.584 -0.058 0.000 1.091 1019 A CA 0.960 52.976 52.037 -0.035 0.000 0.768 1019 A CB 0.258 19.241 19.000 -0.029 0.000 1.028 1019 A HN 0.550 nan 8.150 nan 0.000 0.498 1020 Q N 1.486 121.242 119.800 -0.074 0.000 2.246 1020 Q HA 0.270 4.611 4.340 0.000 0.000 0.222 1020 Q C -0.315 175.583 176.000 -0.171 0.000 0.851 1020 Q CA 0.033 55.774 55.803 -0.104 0.000 0.945 1020 Q CB 0.644 29.340 28.738 -0.070 0.000 1.122 1020 Q HN 0.754 nan 8.270 nan 0.000 0.508 1021 L N 0.636 121.766 121.223 -0.155 0.000 2.346 1021 L HA 0.747 5.088 4.340 0.000 0.000 0.276 1021 L C -1.583 175.174 176.870 -0.187 0.000 1.006 1021 L CA -0.634 54.090 54.840 -0.192 0.000 0.817 1021 L CB 1.646 43.638 42.059 -0.112 0.000 1.272 1021 L HN -0.109 nan 8.230 nan 0.000 0.421 1022 A N 5.945 128.612 122.820 -0.255 0.000 2.353 1022 A HA 0.612 4.932 4.320 0.000 0.000 0.299 1022 A C -0.814 176.755 177.584 -0.025 0.000 1.089 1022 A CA -0.516 51.444 52.037 -0.128 0.000 0.736 1022 A CB 0.797 19.716 19.000 -0.136 0.000 1.195 1022 A HN 0.678 nan 8.150 nan 0.000 0.447 1023 I N 2.747 123.327 120.570 0.015 0.000 2.471 1023 I HA 0.260 4.430 4.170 0.000 0.000 0.286 1023 I C 0.079 176.245 176.117 0.082 0.000 1.079 1023 I CA -0.204 61.122 61.300 0.043 0.000 1.398 1023 I CB 1.400 39.413 38.000 0.021 0.000 1.403 1023 I HN 0.466 nan 8.210 nan 0.000 0.530 1024 V N 5.995 125.972 119.914 0.104 0.000 2.276 1024 V HA 0.478 4.598 4.120 0.000 0.000 0.268 1024 V C -2.428 173.714 176.094 0.081 0.000 1.032 1024 V CA -1.900 60.472 62.300 0.121 0.000 0.810 1024 V CB 0.297 32.226 31.823 0.177 0.000 1.060 1024 V HN 0.470 nan 8.190 nan 0.000 0.446 1025 P HA 0.315 nan 4.420 nan 0.000 0.275 1025 P C 0.900 178.227 177.300 0.045 0.000 1.266 1025 P CA 0.301 63.424 63.100 0.039 0.000 0.793 1025 P CB 1.642 33.353 31.700 0.019 0.000 1.074 1026 G N -0.882 107.934 108.800 0.026 0.000 2.545 1026 G HA2 -0.018 3.942 3.960 0.000 0.000 0.212 1026 G HA3 -0.018 3.942 3.960 0.000 0.000 0.212 1026 G C 0.075 174.975 174.900 0.000 0.000 1.144 1026 G CA 0.362 45.474 45.100 0.019 0.000 0.813 1026 G HN 0.517 nan 8.290 nan 0.000 0.531 1027 D N -0.066 120.330 120.400 -0.006 0.000 2.280 1027 D HA 0.376 5.016 4.640 0.000 0.000 0.236 1027 D C -1.522 174.769 176.300 -0.014 0.000 1.082 1027 D CA -2.506 51.482 54.000 -0.021 0.000 0.834 1027 D CB 2.183 42.967 40.800 -0.027 0.000 1.100 1027 D HN -0.123 nan 8.370 nan 0.000 0.486 1028 P HA -0.133 nan 4.420 nan 0.000 0.217 1028 P C 0.520 177.822 177.300 0.002 0.000 1.148 1028 P CA 1.190 64.294 63.100 0.007 0.000 0.828 1028 P CB 0.289 31.984 31.700 -0.009 0.000 0.783 1029 E N -1.003 119.185 120.200 -0.020 0.000 2.216 1029 E HA -0.076 4.274 4.350 0.000 0.000 0.192 1029 E C 2.132 178.692 176.600 -0.067 0.000 0.988 1029 E CA 0.286 56.666 56.400 -0.033 0.000 0.834 1029 E CB -0.263 29.418 29.700 -0.032 0.000 0.772 1029 E HN 0.164 nan 8.360 nan 0.000 0.479 1030 R N 0.938 121.401 120.500 -0.061 0.000 2.236 1030 R HA -0.042 4.298 4.340 0.000 0.000 0.208 1030 R C 1.939 178.164 176.300 -0.125 0.000 1.036 1030 R CA 0.329 56.381 56.100 -0.079 0.000 1.001 1030 R CB 0.150 30.421 30.300 -0.048 0.000 0.896 1030 R HN 0.063 nan 8.270 nan 0.000 0.464 1031 V N 0.716 120.552 119.914 -0.131 0.000 2.295 1031 V HA -0.241 3.879 4.120 0.000 0.000 0.246 1031 V C 2.261 178.064 176.094 -0.486 0.000 1.049 1031 V CA 2.084 64.273 62.300 -0.185 0.000 1.024 1031 V CB -0.484 31.312 31.823 -0.045 0.000 0.648 1031 V HN 0.420 nan 8.190 nan 0.000 0.447 1032 E N 0.290 120.085 120.200 -0.675 0.000 2.110 1032 E HA -0.240 4.111 4.350 0.000 0.000 0.193 1032 E C 2.191 178.417 176.600 -0.622 0.000 0.988 1032 E CA 1.085 56.835 56.400 -1.082 0.000 0.804 1032 E CB 0.064 29.316 29.700 -0.747 0.000 0.745 1032 E HN 0.483 nan 8.360 nan 0.000 0.458 1033 K N 0.395 120.583 120.400 -0.353 0.000 2.097 1033 K HA -0.116 4.204 4.320 0.000 0.000 0.205 1033 K C 2.176 178.663 176.600 -0.188 0.000 1.050 1033 K CA 1.004 57.160 56.287 -0.220 0.000 0.938 1033 K CB -0.412 32.004 32.500 -0.141 0.000 0.718 1033 K HN 0.334 nan 8.250 nan 0.000 0.442 1034 I N 1.319 121.776 120.570 -0.190 0.000 2.286 1034 I HA -0.167 4.004 4.170 0.000 0.000 0.245 1034 I C 2.423 178.462 176.117 -0.129 0.000 1.104 1034 I CA 0.983 62.206 61.300 -0.128 0.000 1.397 1034 I CB -0.406 37.539 38.000 -0.091 0.000 1.072 1034 I HN 0.035 nan 8.210 nan 0.000 0.417 1035 A N 0.745 123.447 122.820 -0.197 0.000 2.070 1035 A HA -0.060 4.261 4.320 0.000 0.000 0.220 1035 A C 2.370 179.889 177.584 -0.108 0.000 1.159 1035 A CA 1.511 53.471 52.037 -0.128 0.000 0.656 1035 A CB -0.634 18.285 19.000 -0.136 0.000 0.800 1035 A HN 0.425 nan 8.150 nan 0.000 0.453 1036 A N -1.226 121.491 122.820 -0.172 0.000 2.239 1036 A HA 0.262 4.582 4.320 0.000 0.000 0.209 1036 A C 1.493 179.039 177.584 -0.063 0.000 1.171 1036 A CA 0.742 52.712 52.037 -0.111 0.000 0.768 1036 A CB -0.329 18.588 19.000 -0.139 0.000 0.790 1036 A HN 0.372 nan 8.150 nan 0.000 0.478 1037 L N -0.955 120.233 121.223 -0.059 0.000 2.628 1037 L HA 0.333 4.674 4.340 0.000 0.000 0.229 1037 L C 0.619 177.474 176.870 -0.025 0.000 1.137 1037 L CA 0.578 55.393 54.840 -0.041 0.000 0.909 1037 L CB -0.176 41.856 42.059 -0.044 0.000 1.137 1037 L HN 0.361 nan 8.230 nan 0.000 0.470 1038 M N -2.053 117.538 119.600 -0.015 0.000 2.719 1038 M HA 0.353 4.833 4.480 0.000 0.000 0.291 1038 M C -0.957 175.353 176.300 0.016 0.000 1.264 1038 M CA -0.968 54.333 55.300 0.001 0.000 0.811 1038 M CB 1.668 34.273 32.600 0.008 0.000 1.756 1038 M HN -0.251 nan 8.290 nan 0.000 0.464 1039 D N 1.642 122.054 120.400 0.020 0.000 2.313 1039 D HA 0.152 4.792 4.640 0.000 0.000 0.247 1039 D C -0.254 176.072 176.300 0.044 0.000 1.094 1039 D CA 0.092 54.107 54.000 0.026 0.000 0.925 1039 D CB 0.601 41.410 40.800 0.016 0.000 1.188 1039 D HN 0.352 nan 8.370 nan 0.000 0.430 1040 K N -0.294 120.134 120.400 0.047 0.000 3.602 1040 K HA -0.144 4.176 4.320 0.000 0.000 0.274 1040 K C -2.323 174.334 176.600 0.095 0.000 0.864 1040 K CA 0.289 56.611 56.287 0.058 0.000 0.682 1040 K CB -1.970 30.551 32.500 0.036 0.000 1.576 1040 K HN 0.408 nan 8.250 nan 0.000 0.447 1041 P HA 0.265 nan 4.420 nan 0.000 0.276 1041 P C -0.281 177.216 177.300 0.328 0.000 1.230 1041 P CA -0.340 62.935 63.100 0.291 0.000 0.776 1041 P CB 1.563 33.459 31.700 0.326 0.000 0.888 1042 V N 3.208 123.230 119.914 0.180 0.000 2.808 1042 V HA 0.304 4.424 4.120 0.000 0.000 0.308 1042 V C -0.298 175.279 176.094 -0.861 0.000 1.099 1042 V CA -1.162 60.968 62.300 -0.284 0.000 0.920 1042 V CB 2.129 33.851 31.823 -0.169 0.000 1.014 1042 V HN 0.507 nan 8.190 nan 0.000 0.425 1043 K N 4.951 124.363 120.400 -1.648 0.000 2.416 1043 K HA 0.308 4.628 4.320 0.000 0.000 0.283 1043 K C 0.250 176.429 176.600 -0.702 0.000 1.037 1043 K CA -0.022 55.254 56.287 -1.684 0.000 0.995 1043 K CB 0.826 32.560 32.500 -1.277 0.000 0.938 1043 K HN 0.761 nan 8.250 nan 0.000 0.475 1044 L N 2.785 123.721 121.223 -0.478 0.000 2.265 1044 L HA 0.315 4.655 4.340 0.000 0.000 0.195 1044 L C 0.555 177.326 176.870 -0.164 0.000 1.083 1044 L CA 0.223 54.927 54.840 -0.227 0.000 0.798 1044 L CB 0.169 42.160 42.059 -0.114 0.000 0.989 1044 L HN 0.726 nan 8.230 nan 0.000 0.472 1045 A N -1.182 121.557 122.820 -0.135 0.000 2.594 1045 A HA 0.657 4.978 4.320 0.000 0.000 0.291 1045 A C -1.076 176.408 177.584 -0.167 0.000 1.105 1045 A CA -0.283 51.667 52.037 -0.144 0.000 0.694 1045 A CB 1.875 20.866 19.000 -0.015 0.000 1.291 1045 A HN -0.090 nan 8.150 nan 0.000 0.410 1046 S N 0.724 116.195 115.700 -0.382 0.000 2.673 1046 S HA 0.563 5.033 4.470 0.000 0.000 0.256 1046 S C -1.653 172.669 174.600 -0.462 0.000 1.141 1046 S CA -0.519 57.527 58.200 -0.255 0.000 1.109 1046 S CB 0.024 63.152 63.200 -0.121 0.000 1.101 1046 S HN 0.705 nan 8.310 nan 0.000 0.471 1047 H N 3.279 122.419 119.070 0.116 0.000 2.679 1047 H HA 0.574 5.130 4.556 0.000 0.000 0.360 1047 H C 0.704 176.114 175.328 0.136 0.000 1.105 1047 H CA -0.502 55.613 56.048 0.111 0.000 1.196 1047 H CB 1.507 31.336 29.762 0.111 0.000 1.636 1047 H HN 0.714 nan 8.280 nan 0.000 0.531 1048 R N 0.504 121.101 120.500 0.163 0.000 3.835 1048 R HA -0.230 4.110 4.340 0.000 0.000 0.455 1048 R C 1.159 177.366 176.300 -0.154 0.000 0.241 1048 R CA 1.921 58.026 56.100 0.007 0.000 1.439 1048 R CB -0.786 29.537 30.300 0.039 0.000 0.987 1048 R HN 0.788 nan 8.270 nan 0.000 0.570 1049 E N 1.951 121.865 120.200 -0.477 0.000 2.489 1049 E HA 0.013 4.363 4.350 0.000 0.000 0.193 1049 E C -0.115 176.213 176.600 -0.452 0.000 1.057 1049 E CA 0.622 56.733 56.400 -0.480 0.000 0.866 1049 E CB 0.119 29.515 29.700 -0.507 0.000 0.916 1049 E HN 0.359 nan 8.360 nan 0.000 0.500 1050 F N 1.777 121.769 119.950 0.070 0.000 2.313 1050 F HA 0.323 4.851 4.527 0.000 0.000 0.369 1050 F C 0.186 176.031 175.800 0.074 0.000 1.109 1050 F CA -0.718 57.330 58.000 0.080 0.000 1.132 1050 F CB 1.387 40.450 39.000 0.106 0.000 1.291 1050 F HN -0.330 nan 8.300 nan 0.000 0.496 1051 T N 2.140 116.818 114.554 0.208 0.000 2.771 1051 T HA 0.487 4.837 4.350 0.000 0.000 0.281 1051 T C -0.246 174.600 174.700 0.244 0.000 0.982 1051 T CA -0.801 61.410 62.100 0.186 0.000 0.978 1051 T CB 1.127 70.096 68.868 0.167 0.000 0.930 1051 T HN 0.555 nan 8.240 nan 0.000 0.447 1052 S N 2.149 117.985 115.700 0.227 0.000 2.513 1052 S HA 0.777 5.247 4.470 0.000 0.000 0.299 1052 S C -1.573 173.176 174.600 0.249 0.000 1.087 1052 S CA -1.017 57.322 58.200 0.233 0.000 1.012 1052 S CB 1.274 64.562 63.200 0.146 0.000 1.044 1052 S HN 0.670 nan 8.310 nan 0.000 0.485 1053 W N 1.061 122.374 121.300 0.021 0.000 2.936 1053 W HA 0.627 5.287 4.660 0.000 0.000 0.338 1053 W C 0.083 176.606 176.519 0.007 0.000 1.121 1053 W CA -0.772 56.578 57.345 0.010 0.000 1.209 1053 W CB 1.931 31.395 29.460 0.006 0.000 1.420 1053 W HN 0.704 nan 8.180 nan 0.000 0.516 1054 R N 1.892 122.497 120.500 0.175 0.000 2.514 1054 R HA 0.867 5.207 4.340 0.000 0.000 0.301 1054 R C -0.640 175.748 176.300 0.147 0.000 0.962 1054 R CA -0.329 55.841 56.100 0.116 0.000 0.882 1054 R CB 1.276 31.598 30.300 0.037 0.000 1.143 1054 R HN 0.622 nan 8.270 nan 0.000 0.452 1055 A N 3.158 126.045 122.820 0.112 0.000 2.524 1055 A HA 0.538 4.858 4.320 0.000 0.000 0.286 1055 A C -1.409 176.204 177.584 0.050 0.000 1.203 1055 A CA -0.773 51.321 52.037 0.095 0.000 0.736 1055 A CB 1.640 20.699 19.000 0.098 0.000 1.322 1055 A HN 0.741 nan 8.150 nan 0.000 0.424 1056 E N -0.545 119.678 120.200 0.038 0.000 2.199 1056 E HA 0.552 4.902 4.350 0.000 0.000 0.269 1056 E C -1.880 174.727 176.600 0.012 0.000 0.899 1056 E CA -0.617 55.795 56.400 0.020 0.000 0.772 1056 E CB 2.418 32.128 29.700 0.017 0.000 1.155 1056 E HN 0.363 nan 8.360 nan 0.000 0.408 1057 L N 3.269 124.493 121.223 0.003 0.000 2.376 1057 L HA 0.309 4.649 4.340 0.000 0.000 0.275 1057 L C -1.022 175.844 176.870 -0.006 0.000 0.987 1057 L CA -0.202 54.636 54.840 -0.003 0.000 0.828 1057 L CB 1.266 43.321 42.059 -0.008 0.000 1.249 1057 L HN 0.465 nan 8.230 nan 0.000 0.409 1058 D N 4.631 125.028 120.400 -0.007 0.000 2.702 1058 D HA -0.205 4.435 4.640 0.000 0.000 0.233 1058 D C 1.187 177.484 176.300 -0.005 0.000 1.164 1058 D CA 1.629 55.625 54.000 -0.007 0.000 0.638 1058 D CB -0.916 39.878 40.800 -0.010 0.000 1.041 1058 D HN 1.177 nan 8.370 nan 0.000 0.422 1059 G N -1.137 107.662 108.800 -0.003 0.000 2.241 1059 G HA2 -0.338 3.622 3.960 0.000 0.000 0.244 1059 G HA3 -0.338 3.622 3.960 0.000 0.000 0.244 1059 G C 0.282 175.180 174.900 -0.002 0.000 0.998 1059 G CA 0.593 45.692 45.100 -0.002 0.000 0.621 1059 G HN 0.480 nan 8.290 nan 0.000 0.519 1060 K N 0.823 121.220 120.400 -0.004 0.000 2.164 1060 K HA 0.734 5.054 4.320 0.000 0.000 0.258 1060 K C 0.317 176.914 176.600 -0.005 0.000 0.951 1060 K CA -0.107 56.176 56.287 -0.006 0.000 0.844 1060 K CB 2.164 34.658 32.500 -0.011 0.000 1.099 1060 K HN 0.548 nan 8.250 nan 0.000 0.435 1061 A N 2.032 124.849 122.820 -0.005 0.000 2.477 1061 A HA 0.393 4.713 4.320 0.000 0.000 0.246 1061 A C -0.218 177.362 177.584 -0.007 0.000 1.078 1061 A CA -0.240 51.796 52.037 -0.001 0.000 0.770 1061 A CB 0.257 19.256 19.000 -0.002 0.000 1.011 1061 A HN 0.418 nan 8.150 nan 0.000 0.494 1062 V N 3.750 123.667 119.914 0.004 0.000 2.888 1062 V HA 0.349 4.469 4.120 0.000 0.000 0.309 1062 V C -0.627 175.479 176.094 0.020 0.000 1.114 1062 V CA -0.682 61.617 62.300 -0.002 0.000 0.940 1062 V CB 1.908 33.731 31.823 -0.001 0.000 1.021 1062 V HN 0.749 nan 8.190 nan 0.000 0.426 1063 I N 3.728 124.303 120.570 0.009 0.000 2.392 1063 I HA 0.484 4.654 4.170 0.000 0.000 0.295 1063 I C -0.226 175.928 176.117 0.062 0.000 0.985 1063 I CA -0.516 60.810 61.300 0.043 0.000 1.221 1063 I CB 1.823 39.837 38.000 0.024 0.000 1.366 1063 I HN 0.281 nan 8.210 nan 0.000 0.467 1064 V N 5.709 125.691 119.914 0.113 0.000 2.378 1064 V HA 0.373 4.493 4.120 0.000 0.000 0.288 1064 V C -0.332 175.853 176.094 0.152 0.000 1.016 1064 V CA -0.472 61.893 62.300 0.108 0.000 0.840 1064 V CB 1.899 33.768 31.823 0.076 0.000 0.994 1064 V HN 0.897 nan 8.190 nan 0.000 0.431 1065 C N 5.390 124.774 119.300 0.140 0.000 2.481 1065 C HA 0.705 5.165 4.460 0.000 0.000 0.324 1065 C C 0.619 175.712 174.990 0.171 0.000 1.170 1065 C CA -0.436 58.686 59.018 0.172 0.000 1.361 1065 C CB 1.027 28.869 27.740 0.171 0.000 1.977 1065 C HN 1.021 nan 8.230 nan 0.000 0.459 1066 S N 3.502 119.310 115.700 0.180 0.000 2.585 1066 S HA 0.338 4.809 4.470 0.000 0.000 0.273 1066 S C 0.965 175.711 174.600 0.242 0.000 1.339 1066 S CA 0.427 58.719 58.200 0.153 0.000 1.028 1066 S CB 1.281 64.539 63.200 0.096 0.000 0.906 1066 S HN 1.045 nan 8.310 nan 0.000 0.528 1067 T N -1.368 113.290 114.554 0.174 0.000 3.000 1067 T HA 0.535 4.885 4.350 0.000 0.000 0.248 1067 T C 1.168 175.938 174.700 0.117 0.000 1.034 1067 T CA 0.376 62.612 62.100 0.227 0.000 1.060 1067 T CB -0.847 68.099 68.868 0.131 0.000 0.983 1067 T HN 2.012 nan 8.240 nan 0.000 0.482 1068 G N 1.410 110.207 108.800 -0.004 0.000 2.757 1068 G HA2 -0.069 3.891 3.960 0.000 0.000 0.638 1068 G HA3 -0.069 3.891 3.960 0.000 0.000 0.638 1068 G C -0.696 174.187 174.900 -0.029 0.000 1.344 1068 G CA -0.591 44.460 45.100 -0.083 0.000 0.855 1068 G HN 0.640 nan 8.290 nan 0.000 0.537 1069 I N 2.181 122.726 120.570 -0.041 0.000 2.396 1069 I HA 0.517 4.688 4.170 0.000 0.000 0.289 1069 I C 1.146 177.261 176.117 -0.004 0.000 1.056 1069 I CA 1.123 62.413 61.300 -0.016 0.000 1.365 1069 I CB 0.460 38.445 38.000 -0.025 0.000 1.407 1069 I HN 1.986 nan 8.210 nan 0.000 0.509 1070 G N 4.025 112.831 108.800 0.009 0.000 2.612 1070 G HA2 -0.071 3.889 3.960 0.000 0.000 0.686 1070 G HA3 -0.071 3.889 3.960 0.000 0.000 0.686 1070 G C 0.482 175.388 174.900 0.010 0.000 1.274 1070 G CA -0.459 44.647 45.100 0.010 0.000 0.849 1070 G HN 0.859 nan 8.290 nan 0.000 0.595 1071 G N 0.066 108.869 108.800 0.005 0.000 2.418 1071 G HA2 0.118 4.079 3.960 0.000 0.000 0.217 1071 G HA3 0.118 4.079 3.960 0.000 0.000 0.217 1071 G C 0.142 175.046 174.900 0.007 0.000 1.158 1071 G CA 2.071 47.171 45.100 0.001 0.000 0.771 1071 G HN 0.687 nan 8.290 nan 0.000 0.545 1072 P HA -0.143 nan 4.420 nan 0.000 0.214 1072 P C 2.443 179.769 177.300 0.043 0.000 1.163 1072 P CA 2.442 65.543 63.100 0.003 0.000 0.889 1072 P CB -0.227 31.472 31.700 -0.003 0.000 0.790 1073 S N -2.372 113.369 115.700 0.068 0.000 2.428 1073 S HA -0.081 4.389 4.470 0.000 0.000 0.230 1073 S C 1.870 176.605 174.600 0.226 0.000 1.014 1073 S CA 1.564 59.868 58.200 0.173 0.000 0.957 1073 S CB -1.797 61.457 63.200 0.090 0.000 0.784 1073 S HN 0.084 nan 8.310 nan 0.000 0.499 1074 T N 3.039 117.656 114.554 0.104 0.000 2.737 1074 T HA -0.093 4.257 4.350 0.000 0.000 0.265 1074 T C 2.348 177.037 174.700 -0.017 0.000 1.038 1074 T CA 1.787 63.919 62.100 0.053 0.000 1.144 1074 T CB -0.736 68.132 68.868 0.001 0.000 0.866 1074 T HN 0.784 nan 8.240 nan 0.000 0.434 1075 S N 1.521 117.214 115.700 -0.012 0.000 2.383 1075 S HA -0.066 4.404 4.470 0.000 0.000 0.229 1075 S C 2.084 176.678 174.600 -0.009 0.000 1.030 1075 S CA 0.855 59.048 58.200 -0.011 0.000 1.002 1075 S CB -0.834 62.458 63.200 0.153 0.000 0.829 1075 S HN 0.495 nan 8.310 nan 0.000 0.467 1076 I N 2.214 122.767 120.570 -0.027 0.000 2.163 1076 I HA -0.137 4.033 4.170 0.000 0.000 0.240 1076 I C 3.151 179.139 176.117 -0.215 0.000 1.081 1076 I CA 1.183 62.402 61.300 -0.134 0.000 1.353 1076 I CB -0.798 37.036 38.000 -0.276 0.000 1.054 1076 I HN 0.442 nan 8.210 nan 0.000 0.407 1077 A N 0.522 123.202 122.820 -0.232 0.000 1.883 1077 A HA -0.171 4.150 4.320 0.000 0.000 0.217 1077 A C 2.420 179.955 177.584 -0.081 0.000 1.186 1077 A CA 1.996 53.907 52.037 -0.210 0.000 0.624 1077 A CB -1.053 17.951 19.000 0.007 0.000 0.822 1077 A HN 0.246 nan 8.150 nan 0.000 0.444 1078 V N 0.217 120.044 119.914 -0.145 0.000 2.295 1078 V HA -0.258 3.862 4.120 0.000 0.000 0.246 1078 V C 2.638 178.627 176.094 -0.174 0.000 1.049 1078 V CA 2.496 64.590 62.300 -0.343 0.000 1.024 1078 V CB -0.837 30.601 31.823 -0.641 0.000 0.648 1078 V HN 0.771 nan 8.190 nan 0.000 0.447 1079 E N 0.905 121.040 120.200 -0.107 0.000 2.058 1079 E HA -0.253 4.097 4.350 0.000 0.000 0.194 1079 E C 2.088 178.715 176.600 0.044 0.000 0.997 1079 E CA 2.071 58.468 56.400 -0.005 0.000 0.801 1079 E CB -0.325 29.405 29.700 0.050 0.000 0.746 1079 E HN 0.678 nan 8.360 nan 0.000 0.450 1080 E N -0.194 120.020 120.200 0.023 0.000 2.107 1080 E HA -0.098 4.252 4.350 0.000 0.000 0.191 1080 E C 2.294 178.937 176.600 0.071 0.000 0.982 1080 E CA 0.918 57.343 56.400 0.041 0.000 0.809 1080 E CB -0.125 29.579 29.700 0.006 0.000 0.756 1080 E HN 0.307 nan 8.360 nan 0.000 0.459 1081 L N 0.645 121.936 121.223 0.112 0.000 2.083 1081 L HA -0.173 4.167 4.340 0.000 0.000 0.209 1081 L C 2.558 179.542 176.870 0.190 0.000 1.083 1081 L CA 0.973 55.916 54.840 0.172 0.000 0.752 1081 L CB -0.388 41.858 42.059 0.311 0.000 0.899 1081 L HN 0.136 nan 8.230 nan 0.000 0.433 1082 A N -0.629 122.356 122.820 0.274 0.000 1.933 1082 A HA -0.236 4.084 4.320 0.000 0.000 0.218 1082 A C 2.215 179.870 177.584 0.118 0.000 1.175 1082 A CA 1.403 53.582 52.037 0.237 0.000 0.628 1082 A CB -0.388 18.754 19.000 0.236 0.000 0.814 1082 A HN 0.473 nan 8.150 nan 0.000 0.444 1083 Q N -0.505 119.352 119.800 0.094 0.000 2.084 1083 Q HA -0.089 4.251 4.340 0.000 0.000 0.202 1083 Q C 1.962 177.993 176.000 0.051 0.000 0.978 1083 Q CA 1.413 57.255 55.803 0.065 0.000 0.844 1083 Q CB -0.319 28.454 28.738 0.060 0.000 0.898 1083 Q HN 0.682 nan 8.270 nan 0.000 0.426 1084 L N -1.321 119.934 121.223 0.053 0.000 2.201 1084 L HA -0.049 4.291 4.340 0.000 0.000 0.212 1084 L C 1.399 178.282 176.870 0.021 0.000 1.105 1084 L CA 1.023 55.884 54.840 0.035 0.000 0.775 1084 L CB 0.001 42.081 42.059 0.035 0.000 0.913 1084 L HN 0.492 nan 8.230 nan 0.000 0.440 1085 G N -1.242 107.572 108.800 0.022 0.000 2.370 1085 G HA2 -0.112 3.848 3.960 0.000 0.000 0.174 1085 G HA3 -0.112 3.848 3.960 0.000 0.000 0.174 1085 G C 0.137 175.017 174.900 -0.033 0.000 1.002 1085 G CA -0.756 44.345 45.100 0.002 0.000 0.730 1085 G HN 0.006 nan 8.290 nan 0.000 0.497 1086 I N 1.317 121.852 120.570 -0.058 0.000 2.496 1086 I HA 0.356 4.526 4.170 0.000 0.000 0.285 1086 I C 1.189 177.179 176.117 -0.213 0.000 1.080 1086 I CA 0.060 61.225 61.300 -0.225 0.000 1.404 1086 I CB 1.098 38.843 38.000 -0.424 0.000 1.403 1086 I HN 0.046 nan 8.210 nan 0.000 0.539 1087 R N 2.909 123.261 120.500 -0.245 0.000 2.394 1087 R HA 0.193 4.533 4.340 0.000 0.000 0.220 1087 R C -0.100 176.129 176.300 -0.118 0.000 0.887 1087 R CA 0.275 56.320 56.100 -0.091 0.000 1.034 1087 R CB 0.481 30.763 30.300 -0.031 0.000 1.179 1087 R HN 0.515 nan 8.270 nan 0.000 0.561 1088 T N 1.496 115.854 114.554 -0.325 0.000 2.840 1088 T HA 0.561 4.911 4.350 0.000 0.000 0.287 1088 T C -1.059 173.400 174.700 -0.400 0.000 0.991 1088 T CA -0.299 61.679 62.100 -0.203 0.000 0.964 1088 T CB 1.086 69.894 68.868 -0.100 0.000 0.954 1088 T HN -0.172 nan 8.240 nan 0.000 0.438 1089 F N 2.925 122.872 119.950 -0.005 0.000 2.449 1089 F HA 0.560 5.087 4.527 0.000 0.000 0.342 1089 F C -0.139 175.657 175.800 -0.006 0.000 1.127 1089 F CA -1.070 56.927 58.000 -0.005 0.000 0.975 1089 F CB 1.222 40.215 39.000 -0.012 0.000 1.146 1089 F HN 0.207 nan 8.300 nan 0.000 0.444 1090 L N 4.336 125.638 121.223 0.132 0.000 2.298 1090 L HA 0.520 4.861 4.340 0.000 0.000 0.284 1090 L C -0.045 176.874 176.870 0.082 0.000 1.013 1090 L CA -0.702 54.186 54.840 0.080 0.000 0.824 1090 L CB 1.729 43.807 42.059 0.030 0.000 1.221 1090 L HN 0.600 nan 8.230 nan 0.000 0.418 1091 R N 4.284 124.826 120.500 0.070 0.000 2.297 1091 R HA 0.463 4.803 4.340 0.000 0.000 0.308 1091 R C -0.954 175.365 176.300 0.032 0.000 1.029 1091 R CA -0.481 55.651 56.100 0.053 0.000 0.929 1091 R CB 1.213 31.538 30.300 0.041 0.000 1.046 1091 R HN 0.483 nan 8.270 nan 0.000 0.461 1092 I N 4.720 125.307 120.570 0.028 0.000 2.410 1092 I HA 0.514 4.684 4.170 0.000 0.000 0.286 1092 I C -0.673 175.455 176.117 0.017 0.000 1.009 1092 I CA -0.038 61.273 61.300 0.018 0.000 1.111 1092 I CB 1.014 39.020 38.000 0.010 0.000 1.262 1092 I HN 0.890 nan 8.210 nan 0.000 0.443 1093 G N 4.931 113.740 108.800 0.016 0.000 3.015 1093 G HA2 0.685 4.646 3.960 0.000 0.000 0.281 1093 G HA3 0.685 4.646 3.960 0.000 0.000 0.281 1093 G C -0.798 174.112 174.900 0.017 0.000 1.386 1093 G CA -0.386 44.724 45.100 0.017 0.000 0.959 1093 G HN 0.574 nan 8.290 nan 0.000 0.522 1094 T N -2.866 111.701 114.554 0.022 0.000 2.945 1094 T HA 0.728 5.078 4.350 0.000 0.000 0.286 1094 T C -0.256 174.461 174.700 0.028 0.000 1.025 1094 T CA -0.561 61.555 62.100 0.025 0.000 1.039 1094 T CB 1.982 70.868 68.868 0.031 0.000 1.068 1094 T HN 0.823 nan 8.240 nan 0.000 0.497 1095 T N -0.542 114.025 114.554 0.022 0.000 2.853 1095 T HA 0.654 5.004 4.350 0.000 0.000 0.311 1095 T C -0.663 174.040 174.700 0.004 0.000 1.307 1095 T CA -0.463 61.644 62.100 0.012 0.000 1.019 1095 T CB 1.356 70.223 68.868 -0.001 0.000 1.264 1095 T HN 1.155 nan 8.240 nan 0.000 0.497 1096 G N 1.561 110.358 108.800 -0.005 0.000 2.437 1096 G HA2 0.659 4.619 3.960 0.000 0.000 0.315 1096 G HA3 0.659 4.619 3.960 0.000 0.000 0.315 1096 G C -0.092 174.800 174.900 -0.014 0.000 1.210 1096 G CA -0.236 44.858 45.100 -0.010 0.000 0.943 1096 G HN 0.967 nan 8.290 nan 0.000 0.471 1097 A N 2.210 125.007 122.820 -0.038 0.000 2.371 1097 A HA 0.578 4.898 4.320 0.000 0.000 0.257 1097 A C 1.119 178.660 177.584 -0.072 0.000 1.089 1097 A CA -0.472 51.516 52.037 -0.082 0.000 0.794 1097 A CB 0.354 19.287 19.000 -0.111 0.000 1.029 1097 A HN 1.265 nan 8.150 nan 0.000 0.488 1098 I N -2.218 118.287 120.570 -0.109 0.000 4.154 1098 I HA 0.224 4.394 4.170 0.000 0.000 0.334 1098 I C -0.100 175.975 176.117 -0.071 0.000 1.371 1098 I CA -0.285 60.974 61.300 -0.069 0.000 1.110 1098 I CB 0.172 38.116 38.000 -0.093 0.000 1.085 1098 I HN 0.333 nan 8.210 nan 0.000 0.398 1099 Q N 2.241 121.959 119.800 -0.137 0.000 2.243 1099 Q HA 0.345 4.686 4.340 0.000 0.000 0.252 1099 Q C -1.858 174.055 176.000 -0.145 0.000 0.909 1099 Q CA -1.984 53.734 55.803 -0.141 0.000 0.922 1099 Q CB 1.547 30.120 28.738 -0.274 0.000 1.215 1099 Q HN 0.022 nan 8.270 nan 0.000 0.427 1100 P HA -0.147 nan 4.420 nan 0.000 0.220 1100 P C 0.883 178.176 177.300 -0.011 0.000 1.148 1100 P CA 1.316 64.409 63.100 -0.012 0.000 0.803 1100 P CB 0.080 31.801 31.700 0.034 0.000 0.782 1101 H N -1.272 117.764 119.070 -0.057 0.000 2.551 1101 H HA 0.144 4.700 4.556 0.000 0.000 0.266 1101 H C 0.317 175.596 175.328 -0.082 0.000 0.977 1101 H CA 0.055 56.071 56.048 -0.053 0.000 1.163 1101 H CB -0.448 29.285 29.762 -0.049 0.000 1.381 1101 H HN 0.134 nan 8.280 nan 0.000 0.581 1102 I N 2.780 123.032 120.570 -0.530 0.000 2.297 1102 I HA 0.121 4.291 4.170 0.000 0.000 0.291 1102 I C -0.428 175.605 176.117 -0.139 0.000 1.033 1102 I CA -0.455 60.602 61.300 -0.406 0.000 1.253 1102 I CB 0.964 38.628 38.000 -0.559 0.000 1.396 1102 I HN 0.103 nan 8.210 nan 0.000 0.476 1103 N N 4.049 122.733 118.700 -0.026 0.000 2.495 1103 N HA 0.363 5.103 4.740 0.000 0.000 0.280 1103 N C -0.617 174.887 175.510 -0.010 0.000 1.168 1103 N CA -0.665 52.379 53.050 -0.010 0.000 0.978 1103 N CB 1.426 39.920 38.487 0.013 0.000 1.191 1103 N HN 0.216 nan 8.380 nan 0.000 0.497 1104 V N 1.026 120.930 119.914 -0.016 0.000 2.673 1104 V HA 0.222 4.342 4.120 0.000 0.000 0.303 1104 V C 1.438 177.515 176.094 -0.029 0.000 1.046 1104 V CA 1.358 63.647 62.300 -0.018 0.000 1.126 1104 V CB 0.210 32.024 31.823 -0.015 0.000 0.934 1104 V HN 1.042 nan 8.190 nan 0.000 0.487 1105 G N 3.473 112.252 108.800 -0.035 0.000 2.217 1105 G HA2 -0.194 3.766 3.960 0.000 0.000 0.246 1105 G HA3 -0.194 3.766 3.960 0.000 0.000 0.246 1105 G C -0.018 174.841 174.900 -0.068 0.000 0.990 1105 G CA 0.067 45.122 45.100 -0.075 0.000 0.627 1105 G HN 0.682 nan 8.290 nan 0.000 0.522 1106 D N 0.163 120.556 120.400 -0.012 0.000 2.382 1106 D HA 0.464 5.104 4.640 0.000 0.000 0.240 1106 D C 0.524 176.852 176.300 0.047 0.000 1.146 1106 D CA 0.168 54.188 54.000 0.034 0.000 0.897 1106 D CB 1.590 42.461 40.800 0.119 0.000 1.197 1106 D HN 0.204 nan 8.370 nan 0.000 0.432 1107 V N 2.716 122.664 119.914 0.057 0.000 2.417 1107 V HA 0.352 4.472 4.120 0.000 0.000 0.291 1107 V C 0.015 176.144 176.094 0.059 0.000 1.024 1107 V CA -0.703 61.631 62.300 0.056 0.000 0.861 1107 V CB 1.208 33.069 31.823 0.064 0.000 0.985 1107 V HN 0.275 nan 8.190 nan 0.000 0.436 1108 L N 5.449 126.704 121.223 0.053 0.000 2.341 1108 L HA 0.676 5.016 4.340 0.000 0.000 0.278 1108 L C -0.709 176.179 176.870 0.030 0.000 1.005 1108 L CA -0.842 54.032 54.840 0.057 0.000 0.818 1108 L CB 1.983 44.068 42.059 0.043 0.000 1.259 1108 L HN 0.319 nan 8.230 nan 0.000 0.418 1109 V N 1.395 121.327 119.914 0.029 0.000 2.435 1109 V HA 0.355 4.476 4.120 0.000 0.000 0.290 1109 V C 0.244 176.344 176.094 0.012 0.000 1.030 1109 V CA -0.448 61.859 62.300 0.012 0.000 0.881 1109 V CB 1.786 33.609 31.823 0.001 0.000 0.983 1109 V HN 0.741 nan 8.190 nan 0.000 0.445 1110 T N 3.157 117.713 114.554 0.003 0.000 2.771 1110 T HA 0.240 4.590 4.350 0.000 0.000 0.291 1110 T C 1.295 175.997 174.700 0.003 0.000 0.954 1110 T CA 0.231 62.329 62.100 -0.002 0.000 1.045 1110 T CB 1.337 70.198 68.868 -0.011 0.000 0.917 1110 T HN 0.992 nan 8.240 nan 0.000 0.484 1111 T N 0.883 115.441 114.554 0.007 0.000 2.852 1111 T HA 0.464 4.814 4.350 0.000 0.000 0.256 1111 T C 0.740 175.446 174.700 0.011 0.000 1.038 1111 T CA 0.341 62.452 62.100 0.018 0.000 1.141 1111 T CB 0.132 69.016 68.868 0.027 0.000 0.869 1111 T HN 0.746 nan 8.240 nan 0.000 0.439 1112 A N -0.024 122.793 122.820 -0.004 0.000 2.610 1112 A HA 0.697 5.017 4.320 0.000 0.000 0.291 1112 A C -0.949 176.615 177.584 -0.033 0.000 1.086 1112 A CA -0.832 51.197 52.037 -0.013 0.000 0.677 1112 A CB 1.446 20.437 19.000 -0.016 0.000 1.278 1112 A HN 0.253 nan 8.150 nan 0.000 0.414 1113 S N -0.415 115.263 115.700 -0.036 0.000 2.532 1113 S HA 0.601 5.071 4.470 0.000 0.000 0.301 1113 S C -0.448 174.101 174.600 -0.085 0.000 1.083 1113 S CA -0.539 57.621 58.200 -0.067 0.000 1.025 1113 S CB 1.696 64.865 63.200 -0.051 0.000 1.056 1113 S HN 0.838 nan 8.310 nan 0.000 0.494 1114 V N 3.174 122.987 119.914 -0.167 0.000 2.427 1114 V HA 0.220 4.340 4.120 0.000 0.000 0.268 1114 V C 0.522 176.536 176.094 -0.134 0.000 1.046 1114 V CA -0.203 61.967 62.300 -0.218 0.000 0.970 1114 V CB -0.007 31.488 31.823 -0.546 0.000 1.001 1114 V HN 0.694 nan 8.190 nan 0.000 0.476 1115 R N 5.299 125.777 120.500 -0.037 0.000 2.893 1115 R HA 0.279 4.619 4.340 0.000 0.000 0.243 1115 R C 0.137 176.478 176.300 0.068 0.000 1.481 1115 R CA -0.080 56.036 56.100 0.026 0.000 1.250 1115 R CB -0.063 30.277 30.300 0.066 0.000 1.213 1115 R HN 0.679 nan 8.270 nan 0.000 0.609 1116 L N 1.494 122.759 121.223 0.070 0.000 2.791 1116 L HA 0.123 4.463 4.340 0.000 0.000 0.239 1116 L C 0.453 177.412 176.870 0.148 0.000 1.203 1116 L CA -0.237 54.711 54.840 0.181 0.000 1.002 1116 L CB -0.583 41.620 42.059 0.240 0.000 1.295 1116 L HN 0.492 nan 8.230 nan 0.000 0.504 1117 D N -0.973 119.486 120.400 0.098 0.000 2.449 1117 D HA 0.292 4.933 4.640 0.000 0.000 0.250 1117 D C 0.738 177.091 176.300 0.089 0.000 1.050 1117 D CA -0.294 53.752 54.000 0.076 0.000 1.024 1117 D CB 2.077 42.904 40.800 0.045 0.000 1.218 1117 D HN -0.069 nan 8.370 nan 0.000 0.566 1118 G N -1.106 107.732 108.800 0.063 0.000 2.724 1118 G HA2 0.214 4.174 3.960 0.000 0.000 0.205 1118 G HA3 0.214 4.174 3.960 0.000 0.000 0.205 1118 G C 1.306 176.220 174.900 0.023 0.000 1.112 1118 G CA 0.569 45.712 45.100 0.072 0.000 0.793 1118 G HN 0.611 nan 8.290 nan 0.000 0.526 1119 A N 1.730 124.508 122.820 -0.071 0.000 2.015 1119 A HA 0.013 4.333 4.320 0.000 0.000 0.219 1119 A C 2.657 180.325 177.584 0.140 0.000 1.163 1119 A CA 2.314 54.250 52.037 -0.168 0.000 0.646 1119 A CB -0.626 18.331 19.000 -0.071 0.000 0.806 1119 A HN 0.712 nan 8.150 nan 0.000 0.448 1120 S N 0.242 116.046 115.700 0.174 0.000 2.400 1120 S HA -0.121 4.350 4.470 0.000 0.000 0.232 1120 S C 1.701 176.467 174.600 0.276 0.000 1.025 1120 S CA 1.486 59.832 58.200 0.244 0.000 0.993 1120 S CB -0.739 62.548 63.200 0.145 0.000 0.808 1120 S HN 0.449 nan 8.310 nan 0.000 0.478 1121 L N 0.780 122.144 121.223 0.234 0.000 2.456 1121 L HA 0.026 4.366 4.340 0.000 0.000 0.224 1121 L C 2.181 179.147 176.870 0.160 0.000 1.148 1121 L CA 0.960 55.917 54.840 0.194 0.000 0.825 1121 L CB -0.648 41.518 42.059 0.178 0.000 0.937 1121 L HN 0.502 nan 8.230 nan 0.000 0.450 1122 H N -1.835 117.188 119.070 -0.078 0.000 2.539 1122 H HA 0.049 4.605 4.556 0.000 0.000 0.267 1122 H C 1.042 175.988 175.328 -0.636 0.000 0.982 1122 H CA 0.469 56.307 56.048 -0.350 0.000 1.146 1122 H CB 0.440 29.925 29.762 -0.461 0.000 1.382 1122 H HN 0.359 nan 8.280 nan 0.000 0.577 1123 F N -0.478 119.494 119.950 0.036 0.000 2.784 1123 F HA 0.447 4.975 4.527 0.000 0.000 0.316 1123 F C 0.694 176.398 175.800 -0.159 0.000 1.026 1123 F CA -0.062 57.900 58.000 -0.063 0.000 1.188 1123 F CB 1.175 40.129 39.000 -0.077 0.000 0.999 1123 F HN -0.027 nan 8.300 nan 0.000 0.605 1124 A N 0.502 123.340 122.820 0.029 0.000 2.594 1124 A HA 0.608 4.929 4.320 0.000 0.000 0.296 1124 A C -2.864 174.742 177.584 0.037 0.000 1.061 1124 A CA -1.298 50.686 52.037 -0.089 0.000 0.689 1124 A CB 0.609 19.363 19.000 -0.410 0.000 1.280 1124 A HN -0.181 nan 8.150 nan 0.000 0.406 1125 P HA 0.131 nan 4.420 nan 0.000 0.271 1125 P C 0.873 178.254 177.300 0.135 0.000 1.233 1125 P CA -0.238 62.912 63.100 0.083 0.000 0.789 1125 P CB 0.415 32.157 31.700 0.070 0.000 0.951 1126 M N 1.125 120.793 119.600 0.113 0.000 2.346 1126 M HA -0.184 4.296 4.480 0.000 0.000 0.263 1126 M C 1.333 177.709 176.300 0.125 0.000 1.064 1126 M CA 1.894 57.264 55.300 0.118 0.000 1.083 1126 M CB -1.236 31.419 32.600 0.092 0.000 1.399 1126 M HN 0.296 nan 8.290 nan 0.000 0.435 1127 E N -1.075 119.200 120.200 0.126 0.000 2.208 1127 E HA -0.043 4.308 4.350 0.000 0.000 0.193 1127 E C 0.319 176.996 176.600 0.127 0.000 0.988 1127 E CA 0.354 56.818 56.400 0.107 0.000 0.828 1127 E CB -0.437 29.317 29.700 0.090 0.000 0.763 1127 E HN 0.485 nan 8.360 nan 0.000 0.478 1128 F N 3.037 123.011 119.950 0.039 0.000 2.538 1128 F HA 0.131 4.658 4.527 0.001 0.000 0.371 1128 F C -1.941 173.880 175.800 0.034 0.000 1.087 1128 F CA -2.704 55.318 58.000 0.038 0.000 1.250 1128 F CB 0.552 39.580 39.000 0.047 0.000 1.110 1128 F HN -0.112 nan 8.300 nan 0.000 0.570 1129 P HA 0.140 nan 4.420 nan 0.000 0.281 1129 P C -1.143 176.129 177.300 -0.047 0.000 1.252 1129 P CA -0.376 62.600 63.100 -0.207 0.000 0.778 1129 P CB 1.219 32.741 31.700 -0.296 0.000 0.895 1130 A N 4.030 126.877 122.820 0.045 0.000 3.077 1130 A HA 0.227 4.547 4.320 0.000 0.000 0.255 1130 A C 0.389 177.990 177.584 0.029 0.000 1.728 1130 A CA -0.308 51.775 52.037 0.076 0.000 1.383 1130 A CB -0.988 18.044 19.000 0.053 0.000 1.097 1130 A HN 0.470 nan 8.150 nan 0.000 0.634 1131 V N 1.147 121.071 119.914 0.017 0.000 2.644 1131 V HA 0.660 4.780 4.120 0.000 0.000 0.295 1131 V C 0.695 176.811 176.094 0.037 0.000 1.053 1131 V CA -0.118 62.187 62.300 0.007 0.000 0.987 1131 V CB 1.370 33.175 31.823 -0.030 0.000 1.006 1131 V HN 0.820 nan 8.190 nan 0.000 0.472 1132 A N 4.160 127.002 122.820 0.037 0.000 2.304 1132 A HA 0.437 4.757 4.320 0.000 0.000 0.271 1132 A C -0.011 177.615 177.584 0.070 0.000 1.091 1132 A CA -0.327 51.737 52.037 0.046 0.000 0.812 1132 A CB 0.298 19.317 19.000 0.031 0.000 1.056 1132 A HN 1.018 nan 8.150 nan 0.000 0.489 1133 D N -0.202 120.243 120.400 0.075 0.000 2.414 1133 D HA 0.103 4.744 4.640 0.000 0.000 0.242 1133 D C 0.671 177.041 176.300 0.117 0.000 1.129 1133 D CA -0.014 54.046 54.000 0.101 0.000 0.885 1133 D CB 0.184 41.035 40.800 0.086 0.000 1.198 1133 D HN 0.367 nan 8.370 nan 0.000 0.437 1134 F N 3.680 123.639 119.950 0.014 0.000 2.102 1134 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 1134 F C 2.061 177.867 175.800 0.009 0.000 1.105 1134 F CA 1.762 59.767 58.000 0.009 0.000 1.239 1134 F CB -0.483 38.521 39.000 0.006 0.000 0.991 1134 F HN 0.481 nan 8.300 nan 0.000 0.474 1135 A N -0.794 122.006 122.820 -0.033 0.000 1.972 1135 A HA -0.188 4.133 4.320 0.000 0.000 0.219 1135 A C 2.334 179.833 177.584 -0.142 0.000 1.169 1135 A CA 1.692 53.653 52.037 -0.126 0.000 0.635 1135 A CB -1.664 17.342 19.000 0.010 0.000 0.810 1135 A HN 0.570 nan 8.150 nan 0.000 0.446 1136 C N -1.140 118.115 119.300 -0.075 0.000 2.446 1136 C HA -0.049 4.411 4.460 0.000 0.000 0.277 1136 C C 3.048 177.984 174.990 -0.089 0.000 1.275 1136 C CA 1.550 60.535 59.018 -0.055 0.000 1.727 1136 C CB -1.312 26.426 27.740 -0.003 0.000 2.010 1136 C HN 0.663 nan 8.230 nan 0.000 0.486 1137 T N 0.033 114.514 114.554 -0.122 0.000 2.812 1137 T HA -0.136 4.214 4.350 0.000 0.000 0.264 1137 T C 1.827 176.408 174.700 -0.200 0.000 1.042 1137 T CA 1.949 63.971 62.100 -0.129 0.000 1.140 1137 T CB -0.559 68.251 68.868 -0.096 0.000 0.870 1137 T HN 0.527 nan 8.240 nan 0.000 0.445 1138 T N 2.112 116.446 114.554 -0.366 0.000 2.720 1138 T HA -0.097 4.254 4.350 0.000 0.000 0.268 1138 T C 2.385 176.966 174.700 -0.198 0.000 1.037 1138 T CA 1.314 63.194 62.100 -0.367 0.000 1.144 1138 T CB -0.576 67.939 68.868 -0.589 0.000 0.864 1138 T HN 0.449 nan 8.240 nan 0.000 0.444 1139 A N 0.861 123.584 122.820 -0.162 0.000 1.902 1139 A HA 0.010 4.330 4.320 0.000 0.000 0.217 1139 A C 2.295 179.832 177.584 -0.079 0.000 1.181 1139 A CA 1.242 53.219 52.037 -0.100 0.000 0.623 1139 A CB -0.779 18.174 19.000 -0.078 0.000 0.818 1139 A HN 0.482 nan 8.150 nan 0.000 0.443 1140 L N -0.728 120.449 121.223 -0.077 0.000 2.056 1140 L HA -0.134 4.206 4.340 0.000 0.000 0.207 1140 L C 2.527 179.364 176.870 -0.056 0.000 1.078 1140 L CA 0.912 55.718 54.840 -0.056 0.000 0.749 1140 L CB -0.446 41.587 42.059 -0.043 0.000 0.901 1140 L HN 0.240 nan 8.230 nan 0.000 0.433 1141 V N -0.245 119.628 119.914 -0.067 0.000 2.295 1141 V HA -0.270 3.850 4.120 0.000 0.000 0.246 1141 V C 2.360 178.421 176.094 -0.055 0.000 1.049 1141 V CA 1.794 64.059 62.300 -0.058 0.000 1.024 1141 V CB -0.444 31.341 31.823 -0.063 0.000 0.648 1141 V HN 0.447 nan 8.190 nan 0.000 0.447 1142 E N 0.208 120.371 120.200 -0.063 0.000 2.077 1142 E HA -0.185 4.165 4.350 0.000 0.000 0.193 1142 E C 2.314 178.884 176.600 -0.049 0.000 0.989 1142 E CA 1.280 57.648 56.400 -0.053 0.000 0.800 1142 E CB -0.325 29.340 29.700 -0.057 0.000 0.746 1142 E HN 0.596 nan 8.360 nan 0.000 0.452 1143 A N 1.351 124.139 122.820 -0.052 0.000 1.972 1143 A HA -0.086 4.234 4.320 0.000 0.000 0.219 1143 A C 2.354 179.904 177.584 -0.057 0.000 1.169 1143 A CA 1.520 53.525 52.037 -0.052 0.000 0.635 1143 A CB -0.491 18.478 19.000 -0.051 0.000 0.810 1143 A HN 0.290 nan 8.150 nan 0.000 0.446 1144 A N -0.162 122.627 122.820 -0.051 0.000 1.933 1144 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1144 A C 2.094 179.649 177.584 -0.048 0.000 1.175 1144 A CA 1.741 53.749 52.037 -0.048 0.000 0.628 1144 A CB -0.361 18.617 19.000 -0.037 0.000 0.814 1144 A HN 0.539 nan 8.150 nan 0.000 0.444 1145 K N -0.183 120.190 120.400 -0.043 0.000 2.097 1145 K HA -0.039 4.281 4.320 0.000 0.000 0.205 1145 K C 2.289 178.865 176.600 -0.040 0.000 1.050 1145 K CA 1.343 57.608 56.287 -0.037 0.000 0.938 1145 K CB -0.126 32.354 32.500 -0.032 0.000 0.718 1145 K HN 0.416 nan 8.250 nan 0.000 0.442 1146 S N 0.987 116.659 115.700 -0.046 0.000 2.383 1146 S HA -0.087 4.383 4.470 0.000 0.000 0.227 1146 S C 1.849 176.412 174.600 -0.062 0.000 1.026 1146 S CA 1.027 59.198 58.200 -0.048 0.000 0.981 1146 S CB -0.083 63.089 63.200 -0.048 0.000 0.818 1146 S HN 0.114 nan 8.310 nan 0.000 0.472 1147 I N 0.486 121.005 120.570 -0.086 0.000 2.584 1147 I HA 0.137 4.308 4.170 0.000 0.000 0.255 1147 I C 1.749 177.794 176.117 -0.119 0.000 1.145 1147 I CA 0.868 62.086 61.300 -0.136 0.000 1.462 1147 I CB -0.627 37.246 38.000 -0.213 0.000 1.102 1147 I HN 0.417 nan 8.210 nan 0.000 0.433 1148 G N 0.411 109.169 108.800 -0.070 0.000 2.164 1148 G HA2 -0.064 3.896 3.960 0.000 0.000 0.212 1148 G HA3 -0.064 3.896 3.960 0.000 0.000 0.212 1148 G C 0.414 175.333 174.900 0.032 0.000 1.031 1148 G CA -0.057 45.030 45.100 -0.021 0.000 0.730 1148 G HN 0.647 nan 8.290 nan 0.000 0.501 1149 A N -0.305 122.535 122.820 0.033 0.000 2.296 1149 A HA 0.761 5.082 4.320 0.000 0.000 0.264 1149 A C 0.868 178.479 177.584 0.045 0.000 1.097 1149 A CA 0.767 52.889 52.037 0.142 0.000 0.811 1149 A CB 0.399 19.507 19.000 0.181 0.000 1.072 1149 A HN 0.914 nan 8.150 nan 0.000 0.495 1150 T N 2.300 116.870 114.554 0.027 0.000 2.739 1150 T HA 0.445 4.795 4.350 0.000 0.000 0.298 1150 T C -0.150 174.462 174.700 -0.147 0.000 0.929 1150 T CA 0.153 62.212 62.100 -0.069 0.000 1.014 1150 T CB -0.157 68.684 68.868 -0.045 0.000 0.914 1150 T HN 0.601 nan 8.240 nan 0.000 0.509 1151 T N 4.209 118.625 114.554 -0.230 0.000 2.823 1151 T HA 0.420 4.771 4.350 0.000 0.000 0.279 1151 T C -0.449 174.009 174.700 -0.404 0.000 0.998 1151 T CA -0.842 61.132 62.100 -0.210 0.000 0.994 1151 T CB 0.995 69.809 68.868 -0.090 0.000 0.960 1151 T HN 0.525 nan 8.240 nan 0.000 0.448 1152 H N 0.790 119.875 119.070 0.024 0.000 2.538 1152 H HA 0.566 5.122 4.556 0.000 0.000 0.353 1152 H C -0.994 174.346 175.328 0.019 0.000 1.109 1152 H CA -0.596 55.473 56.048 0.035 0.000 1.192 1152 H CB 1.946 31.732 29.762 0.040 0.000 1.555 1152 H HN 0.283 nan 8.280 nan 0.000 0.518 1153 V N 2.251 122.246 119.914 0.136 0.000 2.409 1153 V HA 0.687 4.807 4.120 0.000 0.000 0.291 1153 V C 0.510 176.647 176.094 0.072 0.000 1.020 1153 V CA -0.187 62.157 62.300 0.074 0.000 0.848 1153 V CB 1.272 33.121 31.823 0.043 0.000 0.990 1153 V HN 1.095 nan 8.190 nan 0.000 0.430 1154 G N 3.294 112.122 108.800 0.047 0.000 2.392 1154 G HA2 0.387 4.348 3.960 0.000 0.000 0.260 1154 G HA3 0.387 4.348 3.960 0.000 0.000 0.260 1154 G C -1.350 173.552 174.900 0.003 0.000 1.226 1154 G CA -0.435 44.684 45.100 0.031 0.000 0.913 1154 G HN 0.474 nan 8.290 nan 0.000 0.483 1155 V N 0.961 120.868 119.914 -0.012 0.000 2.583 1155 V HA 0.590 4.710 4.120 0.000 0.000 0.287 1155 V C 0.355 176.399 176.094 -0.084 0.000 1.051 1155 V CA 0.047 62.321 62.300 -0.043 0.000 1.010 1155 V CB 1.203 33.003 31.823 -0.039 0.000 0.988 1155 V HN 0.735 nan 8.190 nan 0.000 0.478 1156 T N 3.749 118.239 114.554 -0.106 0.000 2.856 1156 T HA 0.641 4.991 4.350 0.000 0.000 0.283 1156 T C -0.036 174.533 174.700 -0.218 0.000 1.008 1156 T CA -0.275 61.737 62.100 -0.146 0.000 0.997 1156 T CB 1.620 70.432 68.868 -0.092 0.000 0.992 1156 T HN 0.904 nan 8.240 nan 0.000 0.454 1157 A N 2.321 124.947 122.820 -0.322 0.000 2.269 1157 A HA 0.599 4.919 4.320 0.000 0.000 0.302 1157 A C 0.380 177.878 177.584 -0.144 0.000 1.266 1157 A CA -0.421 51.380 52.037 -0.393 0.000 0.894 1157 A CB 0.320 18.876 19.000 -0.740 0.000 1.147 1157 A HN 0.626 nan 8.150 nan 0.000 0.537 1158 S N 2.190 117.822 115.700 -0.112 0.000 2.420 1158 S HA 0.512 4.983 4.470 0.000 0.000 0.313 1158 S C 0.052 174.642 174.600 -0.016 0.000 1.079 1158 S CA -0.310 57.867 58.200 -0.039 0.000 1.104 1158 S CB 0.329 63.508 63.200 -0.037 0.000 0.969 1158 S HN 0.937 nan 8.310 nan 0.000 0.471 1159 S N 3.070 118.760 115.700 -0.017 0.000 2.593 1159 S HA 0.398 4.868 4.470 0.000 0.000 0.297 1159 S C 0.268 174.838 174.600 -0.050 0.000 1.112 1159 S CA -0.606 57.560 58.200 -0.057 0.000 1.043 1159 S CB 1.249 64.336 63.200 -0.189 0.000 1.054 1159 S HN 0.709 nan 8.310 nan 0.000 0.516 1160 D N 1.497 121.876 120.400 -0.035 0.000 2.340 1160 D HA 0.171 4.811 4.640 0.000 0.000 0.220 1160 D C 0.356 176.642 176.300 -0.023 0.000 1.039 1160 D CA 0.586 54.580 54.000 -0.010 0.000 0.866 1160 D CB 0.315 41.131 40.800 0.027 0.000 0.913 1160 D HN 0.695 nan 8.370 nan 0.000 0.523 1161 T N -3.832 110.671 114.554 -0.084 0.000 2.906 1161 T HA 0.276 4.627 4.350 0.000 0.000 0.295 1161 T C 0.493 175.134 174.700 -0.098 0.000 1.061 1161 T CA -0.823 61.248 62.100 -0.049 0.000 1.000 1161 T CB 1.145 69.976 68.868 -0.061 0.000 1.103 1161 T HN -0.147 nan 8.240 nan 0.000 0.486 1162 F N 0.089 119.928 119.950 -0.184 0.000 2.367 1162 F HA 0.172 4.699 4.527 0.000 0.000 0.298 1162 F C 0.964 176.448 175.800 -0.527 0.000 1.094 1162 F CA 0.879 58.651 58.000 -0.379 0.000 1.409 1162 F CB -0.028 38.691 39.000 -0.469 0.000 1.064 1162 F HN 0.686 nan 8.300 nan 0.000 0.528 1163 Y N 0.191 120.447 120.300 -0.073 0.000 2.382 1163 Y HA 0.162 4.713 4.550 0.000 0.000 0.263 1163 Y C -0.570 175.157 175.900 -0.287 0.000 1.103 1163 Y CA 0.261 58.281 58.100 -0.133 0.000 1.223 1163 Y CB -1.827 36.630 38.460 -0.006 0.000 1.124 1163 Y HN -0.238 nan 8.280 nan 0.000 0.501 1164 P HA -0.042 nan 4.420 nan 0.000 0.219 1164 P C 1.495 178.507 177.300 -0.481 0.000 1.150 1164 P CA 2.034 64.999 63.100 -0.225 0.000 0.814 1164 P CB -0.137 31.501 31.700 -0.103 0.000 0.787 1165 G N 0.188 108.567 108.800 -0.703 0.000 2.471 1165 G HA2 -0.200 3.761 3.960 0.000 0.000 0.219 1165 G HA3 -0.200 3.761 3.960 0.000 0.000 0.219 1165 G C 1.322 175.677 174.900 -0.907 0.000 1.125 1165 G CA 0.303 44.628 45.100 -1.291 0.000 0.775 1165 G HN 0.365 nan 8.290 nan 0.000 0.548 1166 Q N -0.352 118.946 119.800 -0.836 0.000 2.211 1166 Q HA 0.219 4.560 4.340 0.000 0.000 0.231 1166 Q C -0.055 175.556 176.000 -0.647 0.000 0.865 1166 Q CA -0.304 54.749 55.803 -1.250 0.000 0.997 1166 Q CB 0.381 28.331 28.738 -1.314 0.000 1.101 1166 Q HN 0.569 nan 8.270 nan 0.000 0.468 1167 E N 1.729 121.698 120.200 -0.385 0.000 2.199 1167 E HA -0.252 4.099 4.350 0.000 0.000 0.208 1167 E C -0.891 175.536 176.600 -0.289 0.000 1.310 1167 E CA 0.202 56.444 56.400 -0.263 0.000 0.709 1167 E CB -0.308 29.392 29.700 -0.000 0.000 1.127 1167 E HN 0.350 nan 8.360 nan 0.000 0.354 1168 R N 0.299 120.620 120.500 -0.297 0.000 2.254 1168 R HA 0.172 4.512 4.340 0.000 0.000 0.318 1168 R C 0.251 176.451 176.300 -0.166 0.000 1.031 1168 R CA -0.181 55.844 56.100 -0.124 0.000 0.905 1168 R CB 0.500 30.791 30.300 -0.016 0.000 1.050 1168 R HN 0.233 nan 8.270 nan 0.000 0.456 1169 Y N 0.353 120.693 120.300 0.066 0.000 2.458 1169 Y HA -0.018 4.532 4.550 0.000 0.000 0.254 1169 Y C 0.782 176.716 175.900 0.056 0.000 1.120 1169 Y CA -0.092 58.040 58.100 0.052 0.000 1.282 1169 Y CB 0.527 39.008 38.460 0.034 0.000 1.109 1169 Y HN 0.536 nan 8.280 nan 0.000 0.526 1170 D N 1.612 122.137 120.400 0.209 0.000 2.848 1170 D HA -0.002 4.638 4.640 0.000 0.000 0.232 1170 D C 0.321 176.699 176.300 0.130 0.000 1.107 1170 D CA 0.349 54.447 54.000 0.163 0.000 1.020 1170 D CB -0.480 40.423 40.800 0.171 0.000 1.148 1170 D HN 0.240 nan 8.370 nan 0.000 0.453 1171 T N -3.922 110.672 114.554 0.066 0.000 2.888 1171 T HA 0.200 4.550 4.350 0.000 0.000 0.288 1171 T C 0.896 175.598 174.700 0.003 0.000 1.063 1171 T CA -1.004 61.074 62.100 -0.037 0.000 1.010 1171 T CB 1.362 70.181 68.868 -0.082 0.000 1.214 1171 T HN 0.110 nan 8.240 nan 0.000 0.533 1172 Y N 0.816 121.044 120.300 -0.119 0.000 2.207 1172 Y HA -0.104 4.446 4.550 0.000 0.000 0.287 1172 Y C 2.754 178.632 175.900 -0.036 0.000 1.156 1172 Y CA 2.298 60.355 58.100 -0.073 0.000 1.182 1172 Y CB -0.306 38.101 38.460 -0.089 0.000 0.979 1172 Y HN 0.724 nan 8.280 nan 0.000 0.521 1173 S N -0.746 114.826 115.700 -0.214 0.000 2.356 1173 S HA 0.107 4.577 4.470 0.000 0.000 0.219 1173 S C 1.962 176.480 174.600 -0.138 0.000 1.036 1173 S CA 1.634 59.680 58.200 -0.256 0.000 0.965 1173 S CB -0.777 62.378 63.200 -0.076 0.000 0.864 1173 S HN 1.031 nan 8.310 nan 0.000 0.471 1174 G N 1.585 110.369 108.800 -0.028 0.000 2.225 1174 G HA2 -0.294 3.666 3.960 0.000 0.000 0.254 1174 G HA3 -0.294 3.666 3.960 0.000 0.000 0.254 1174 G C 0.190 175.191 174.900 0.168 0.000 0.988 1174 G CA 0.429 45.574 45.100 0.075 0.000 0.625 1174 G HN 0.989 nan 8.290 nan 0.000 0.527 1175 R N -0.548 120.003 120.500 0.085 0.000 2.573 1175 R HA 0.784 5.124 4.340 0.000 0.000 0.272 1175 R C -0.976 175.362 176.300 0.063 0.000 1.009 1175 R CA -0.746 55.422 56.100 0.114 0.000 1.059 1175 R CB 2.029 32.364 30.300 0.058 0.000 1.112 1175 R HN 0.263 nan 8.270 nan 0.000 0.517 1176 V N 2.922 122.891 119.914 0.090 0.000 2.577 1176 V HA 0.185 4.305 4.120 0.000 0.000 0.303 1176 V C -0.182 175.971 176.094 0.099 0.000 1.042 1176 V CA -1.048 61.265 62.300 0.021 0.000 0.872 1176 V CB 1.847 33.581 31.823 -0.149 0.000 0.998 1176 V HN 0.707 nan 8.190 nan 0.000 0.423 1177 V N 6.100 126.085 119.914 0.119 0.000 2.788 1177 V HA 0.052 4.172 4.120 0.000 0.000 0.307 1177 V C 1.863 178.016 176.094 0.098 0.000 1.069 1177 V CA 0.825 63.195 62.300 0.115 0.000 1.173 1177 V CB 0.857 32.762 31.823 0.137 0.000 0.925 1177 V HN 0.973 nan 8.190 nan 0.000 0.492 1178 R N 4.034 124.563 120.500 0.050 0.000 2.165 1178 R HA -0.249 4.091 4.340 0.000 0.000 0.254 1178 R C 2.276 178.556 176.300 -0.033 0.000 1.153 1178 R CA 2.636 58.745 56.100 0.016 0.000 0.971 1178 R CB -0.346 29.953 30.300 -0.001 0.000 0.878 1178 R HN 0.860 nan 8.270 nan 0.000 0.449 1179 R N -0.549 119.889 120.500 -0.104 0.000 2.103 1179 R HA -0.172 4.168 4.340 0.000 0.000 0.242 1179 R C 1.399 177.475 176.300 -0.374 0.000 1.142 1179 R CA 2.103 58.019 56.100 -0.306 0.000 0.960 1179 R CB -0.234 29.761 30.300 -0.508 0.000 0.858 1179 R HN 0.321 nan 8.270 nan 0.000 0.439 1180 F N 0.361 120.337 119.950 0.043 0.000 2.695 1180 F HA 0.268 4.795 4.527 0.000 0.000 0.303 1180 F C 0.603 176.419 175.800 0.027 0.000 1.091 1180 F CA -0.347 57.684 58.000 0.052 0.000 1.300 1180 F CB 0.390 39.420 39.000 0.050 0.000 1.071 1180 F HN -0.216 nan 8.300 nan 0.000 0.578 1181 K N 0.964 121.454 120.400 0.150 0.000 2.412 1181 K HA 0.216 4.536 4.320 0.000 0.000 0.284 1181 K C 1.093 177.748 176.600 0.091 0.000 1.046 1181 K CA 0.730 57.105 56.287 0.147 0.000 0.999 1181 K CB 0.293 32.862 32.500 0.116 0.000 0.941 1181 K HN 0.393 nan 8.250 nan 0.000 0.474 1182 G N 2.678 111.554 108.800 0.127 0.000 2.179 1182 G HA2 -0.327 3.634 3.960 0.000 0.000 0.257 1182 G HA3 -0.327 3.634 3.960 0.000 0.000 0.257 1182 G C 0.725 175.607 174.900 -0.030 0.000 1.010 1182 G CA 0.915 46.048 45.100 0.055 0.000 0.736 1182 G HN 0.733 nan 8.290 nan 0.000 0.513 1183 S N -0.988 114.712 115.700 -0.001 0.000 2.377 1183 S HA 0.034 4.504 4.470 0.000 0.000 0.223 1183 S C 2.279 176.728 174.600 -0.253 0.000 1.030 1183 S CA 1.485 59.568 58.200 -0.196 0.000 0.970 1183 S CB -0.287 62.987 63.200 0.122 0.000 0.830 1183 S HN 0.728 nan 8.310 nan 0.000 0.473 1184 M N 1.849 121.542 119.600 0.156 0.000 2.082 1184 M HA -0.177 4.303 4.480 0.000 0.000 0.258 1184 M C 2.328 178.695 176.300 0.112 0.000 1.069 1184 M CA 2.308 57.788 55.300 0.300 0.000 1.102 1184 M CB -0.352 32.453 32.600 0.342 0.000 1.336 1184 M HN 0.537 nan 8.290 nan 0.000 0.404 1185 E N 0.072 120.295 120.200 0.038 0.000 2.085 1185 E HA -0.264 4.086 4.350 0.000 0.000 0.194 1185 E C 1.715 178.285 176.600 -0.051 0.000 0.994 1185 E CA 2.060 58.462 56.400 0.003 0.000 0.801 1185 E CB -0.116 29.582 29.700 -0.004 0.000 0.743 1185 E HN 0.672 nan 8.360 nan 0.000 0.453 1186 E N -0.402 119.693 120.200 -0.176 0.000 2.051 1186 E HA -0.194 4.156 4.350 0.000 0.000 0.192 1186 E C 1.887 178.395 176.600 -0.154 0.000 0.991 1186 E CA 1.471 57.715 56.400 -0.260 0.000 0.799 1186 E CB -0.267 29.135 29.700 -0.497 0.000 0.748 1186 E HN 0.500 nan 8.360 nan 0.000 0.449 1187 W N 1.349 122.656 121.300 0.010 0.000 2.363 1187 W HA -0.171 4.489 4.660 0.000 0.000 0.296 1187 W C 2.498 178.983 176.519 -0.056 0.000 1.212 1187 W CA 0.238 57.561 57.345 -0.037 0.000 1.260 1187 W CB -0.178 29.222 29.460 -0.100 0.000 1.131 1187 W HN 0.112 nan 8.180 nan 0.000 0.530 1188 Q N 0.464 120.357 119.800 0.154 0.000 2.030 1188 Q HA -0.217 4.123 4.340 0.000 0.000 0.204 1188 Q C 2.525 178.562 176.000 0.062 0.000 0.986 1188 Q CA 1.936 57.785 55.803 0.076 0.000 0.843 1188 Q CB -0.696 28.073 28.738 0.051 0.000 0.904 1188 Q HN 0.325 nan 8.270 nan 0.000 0.420 1189 A N 0.399 123.245 122.820 0.045 0.000 2.019 1189 A HA -0.140 4.180 4.320 0.000 0.000 0.219 1189 A C 1.822 179.434 177.584 0.047 0.000 1.164 1189 A CA 1.234 53.289 52.037 0.031 0.000 0.644 1189 A CB -0.375 18.629 19.000 0.006 0.000 0.805 1189 A HN 0.328 nan 8.150 nan 0.000 0.449 1190 M N -1.195 118.454 119.600 0.082 0.000 2.561 1190 M HA 0.168 4.649 4.480 0.000 0.000 0.238 1190 M C 1.298 177.651 176.300 0.088 0.000 1.131 1190 M CA 0.702 56.064 55.300 0.103 0.000 1.046 1190 M CB 0.183 32.894 32.600 0.184 0.000 1.532 1190 M HN 0.597 nan 8.290 nan 0.000 0.497 1191 G N 0.797 109.640 108.800 0.072 0.000 2.148 1191 G HA2 -0.215 3.745 3.960 0.000 0.000 0.254 1191 G HA3 -0.215 3.745 3.960 0.000 0.000 0.254 1191 G C 0.083 175.002 174.900 0.032 0.000 0.981 1191 G CA -0.105 45.028 45.100 0.054 0.000 0.670 1191 G HN 0.333 nan 8.290 nan 0.000 0.528 1192 V N 1.515 121.446 119.914 0.029 0.000 2.599 1192 V HA 0.144 4.264 4.120 0.000 0.000 0.300 1192 V C 1.884 177.922 176.094 -0.094 0.000 1.034 1192 V CA 1.154 63.424 62.300 -0.050 0.000 1.115 1192 V CB 1.129 32.896 31.823 -0.094 0.000 0.934 1192 V HN 0.413 nan 8.190 nan 0.000 0.485 1193 M N 3.252 122.783 119.600 -0.116 0.000 2.193 1193 M HA 0.083 4.563 4.480 0.000 0.000 0.265 1193 M C 0.673 176.868 176.300 -0.176 0.000 1.071 1193 M CA 1.141 56.359 55.300 -0.136 0.000 1.140 1193 M CB -0.027 32.515 32.600 -0.097 0.000 1.369 1193 M HN 0.955 nan 8.290 nan 0.000 0.423 1194 N N -1.777 116.798 118.700 -0.209 0.000 3.046 1194 N HA 0.171 4.912 4.740 0.000 0.000 0.243 1194 N C -1.994 173.348 175.510 -0.281 0.000 1.452 1194 N CA -0.650 52.278 53.050 -0.203 0.000 0.882 1194 N CB 1.214 39.638 38.487 -0.105 0.000 1.425 1194 N HN -0.112 nan 8.380 nan 0.000 0.517 1195 Y N -0.062 120.163 120.300 -0.125 0.000 2.360 1195 Y HA 0.449 4.999 4.550 0.001 0.000 0.337 1195 Y C 0.387 176.200 175.900 -0.145 0.000 1.039 1195 Y CA -0.124 57.879 58.100 -0.162 0.000 1.109 1195 Y CB 1.462 39.801 38.460 -0.201 0.000 1.201 1195 Y HN 0.784 nan 8.280 nan 0.000 0.458 1196 E N 0.056 120.290 120.200 0.058 0.000 2.391 1196 E HA 0.523 4.873 4.350 0.000 0.000 0.256 1196 E C -0.918 175.682 176.600 -0.001 0.000 0.975 1196 E CA -0.702 55.704 56.400 0.011 0.000 0.881 1196 E CB 1.183 30.887 29.700 0.007 0.000 1.728 1196 E HN 0.438 nan 8.360 nan 0.000 0.446 1197 M N -0.723 118.880 119.600 0.005 0.000 2.289 1197 M HA 0.315 4.795 4.480 0.000 0.000 0.335 1197 M C 0.064 176.365 176.300 0.002 0.000 0.961 1197 M CA 0.273 55.574 55.300 0.002 0.000 1.018 1197 M CB 0.711 33.325 32.600 0.022 0.000 1.678 1197 M HN 0.505 nan 8.290 nan 0.000 0.589 1198 E N -0.611 119.589 120.200 0.000 0.000 2.467 1198 E HA 0.065 4.415 4.350 0.000 0.000 0.213 1198 E C 1.844 178.434 176.600 -0.016 0.000 0.823 1198 E CA 0.706 57.103 56.400 -0.005 0.000 1.233 1198 E CB 0.303 30.004 29.700 0.002 0.000 1.233 1198 E HN 0.306 nan 8.360 nan 0.000 0.585 1199 S N 1.283 116.974 115.700 -0.016 0.000 2.365 1199 S HA -0.227 4.243 4.470 0.000 0.000 0.225 1199 S C 2.287 176.873 174.600 -0.023 0.000 1.039 1199 S CA 1.256 59.444 58.200 -0.020 0.000 1.033 1199 S CB -0.594 62.594 63.200 -0.020 0.000 0.887 1199 S HN 0.241 nan 8.310 nan 0.000 0.447 1200 A N 1.717 124.527 122.820 -0.017 0.000 1.917 1200 A HA -0.082 4.238 4.320 0.000 0.000 0.219 1200 A C 2.460 180.044 177.584 -0.000 0.000 1.182 1200 A CA 2.320 54.356 52.037 -0.003 0.000 0.633 1200 A CB -1.741 17.262 19.000 0.005 0.000 0.819 1200 A HN 0.615 nan 8.150 nan 0.000 0.448 1201 T N -0.106 114.439 114.554 -0.015 0.000 2.701 1201 T HA -0.106 4.244 4.350 0.000 0.000 0.263 1201 T C 1.891 176.510 174.700 -0.136 0.000 1.040 1201 T CA 1.439 63.514 62.100 -0.041 0.000 1.147 1201 T CB -0.450 68.403 68.868 -0.025 0.000 0.865 1201 T HN 0.394 nan 8.240 nan 0.000 0.426 1202 L N 1.129 122.276 121.223 -0.127 0.000 1.989 1202 L HA -0.046 4.295 4.340 0.000 0.000 0.211 1202 L C 2.202 178.977 176.870 -0.158 0.000 1.071 1202 L CA 1.749 56.481 54.840 -0.180 0.000 0.749 1202 L CB -0.657 41.331 42.059 -0.120 0.000 0.890 1202 L HN 0.236 nan 8.230 nan 0.000 0.431 1203 L N -1.152 120.027 121.223 -0.073 0.000 2.093 1203 L HA -0.169 4.172 4.340 0.000 0.000 0.208 1203 L C 2.380 179.257 176.870 0.010 0.000 1.085 1203 L CA 1.641 56.468 54.840 -0.021 0.000 0.755 1203 L CB -1.203 40.861 42.059 0.008 0.000 0.904 1203 L HN 0.351 nan 8.230 nan 0.000 0.435 1204 T N 0.663 115.221 114.554 0.007 0.000 2.701 1204 T HA -0.203 4.147 4.350 0.000 0.000 0.263 1204 T C 1.850 176.497 174.700 -0.088 0.000 1.040 1204 T CA 1.834 63.978 62.100 0.073 0.000 1.147 1204 T CB -0.249 68.682 68.868 0.104 0.000 0.865 1204 T HN 0.436 nan 8.240 nan 0.000 0.426 1205 M N 0.174 119.571 119.600 -0.339 0.000 2.374 1205 M HA 0.023 4.503 4.480 0.000 0.000 0.264 1205 M C 2.099 178.159 176.300 -0.400 0.000 1.067 1205 M CA 1.359 56.240 55.300 -0.698 0.000 1.103 1205 M CB -0.945 30.725 32.600 -1.551 0.000 1.402 1205 M HN 0.177 nan 8.290 nan 0.000 0.444 1206 C N 1.141 120.291 119.300 -0.250 0.000 2.522 1206 C HA 0.251 4.712 4.460 0.000 0.000 0.280 1206 C C 3.222 178.211 174.990 -0.002 0.000 1.303 1206 C CA 0.872 59.818 59.018 -0.122 0.000 1.709 1206 C CB -0.931 26.759 27.740 -0.084 0.000 2.071 1206 C HN 0.752 nan 8.230 nan 0.000 0.492 1207 A N 0.995 123.849 122.820 0.057 0.000 2.067 1207 A HA -0.099 4.222 4.320 0.000 0.000 0.219 1207 A C 2.070 179.777 177.584 0.204 0.000 1.158 1207 A CA 1.940 54.075 52.037 0.165 0.000 0.661 1207 A CB -0.538 18.609 19.000 0.244 0.000 0.801 1207 A HN 0.704 nan 8.150 nan 0.000 0.452 1208 S N -1.814 113.915 115.700 0.049 0.000 2.577 1208 S HA 0.197 4.668 4.470 0.000 0.000 0.219 1208 S C 0.766 175.338 174.600 -0.047 0.000 0.962 1208 S CA 0.124 58.252 58.200 -0.121 0.000 0.921 1208 S CB 0.054 62.983 63.200 -0.453 0.000 0.789 1208 S HN 0.629 nan 8.310 nan 0.000 0.497 1209 Q N 0.118 119.917 119.800 -0.001 0.000 2.023 1209 Q HA 0.325 4.665 4.340 0.000 0.000 0.211 1209 Q C 0.670 176.696 176.000 0.043 0.000 0.787 1209 Q CA 0.047 55.860 55.803 0.018 0.000 1.035 1209 Q CB 1.060 29.801 28.738 0.005 0.000 1.221 1209 Q HN 0.602 nan 8.270 nan 0.000 0.443 1210 G N 1.512 110.347 108.800 0.058 0.000 2.153 1210 G HA2 -0.281 3.679 3.960 0.000 0.000 0.252 1210 G HA3 -0.281 3.679 3.960 0.000 0.000 0.252 1210 G C -0.048 174.899 174.900 0.080 0.000 0.994 1210 G CA 0.219 45.360 45.100 0.068 0.000 0.698 1210 G HN 0.262 nan 8.290 nan 0.000 0.521 1211 L N 0.021 121.298 121.223 0.090 0.000 2.325 1211 L HA 0.580 4.920 4.340 0.000 0.000 0.279 1211 L C 1.082 178.035 176.870 0.139 0.000 1.054 1211 L CA -1.011 53.914 54.840 0.142 0.000 0.804 1211 L CB 1.140 43.316 42.059 0.196 0.000 1.200 1211 L HN 0.062 nan 8.230 nan 0.000 0.436 1212 R N 2.235 122.825 120.500 0.150 0.000 2.308 1212 R HA 0.722 5.062 4.340 0.000 0.000 0.305 1212 R C -0.643 175.760 176.300 0.171 0.000 1.053 1212 R CA -0.466 55.709 56.100 0.124 0.000 0.957 1212 R CB 1.402 31.750 30.300 0.080 0.000 1.022 1212 R HN 0.702 nan 8.270 nan 0.000 0.461 1213 A N 1.635 124.531 122.820 0.127 0.000 2.422 1213 A HA 0.717 5.037 4.320 0.000 0.000 0.302 1213 A C -0.556 177.072 177.584 0.073 0.000 1.041 1213 A CA -0.626 51.487 52.037 0.126 0.000 0.708 1213 A CB 2.043 21.093 19.000 0.083 0.000 1.257 1213 A HN 0.767 nan 8.150 nan 0.000 0.414 1214 G N 0.013 108.853 108.800 0.067 0.000 2.511 1214 G HA2 0.686 4.646 3.960 0.000 0.000 0.318 1214 G HA3 0.686 4.646 3.960 0.000 0.000 0.318 1214 G C -0.957 173.961 174.900 0.031 0.000 1.210 1214 G CA -0.610 44.510 45.100 0.033 0.000 0.969 1214 G HN 1.128 nan 8.290 nan 0.000 0.484 1215 M N 1.675 121.284 119.600 0.015 0.000 2.183 1215 M HA 0.621 5.101 4.480 0.000 0.000 0.277 1215 M C -1.883 174.421 176.300 0.006 0.000 0.995 1215 M CA -0.720 54.587 55.300 0.012 0.000 0.969 1215 M CB 1.808 34.412 32.600 0.006 0.000 1.659 1215 M HN 0.605 nan 8.290 nan 0.000 0.462 1216 V N 4.293 124.213 119.914 0.009 0.000 2.735 1216 V HA 1.050 5.170 4.120 0.000 0.000 0.310 1216 V C -1.425 174.676 176.094 0.012 0.000 1.061 1216 V CA 0.124 62.429 62.300 0.008 0.000 0.913 1216 V CB 1.883 33.708 31.823 0.004 0.000 1.005 1216 V HN 1.166 nan 8.190 nan 0.000 0.428 1217 A N 3.840 126.668 122.820 0.014 0.000 2.549 1217 A HA 0.906 5.226 4.320 0.000 0.000 0.297 1217 A C -0.265 177.332 177.584 0.022 0.000 1.061 1217 A CA -0.139 51.908 52.037 0.016 0.000 0.690 1217 A CB 1.878 20.885 19.000 0.011 0.000 1.287 1217 A HN 1.486 nan 8.150 nan 0.000 0.402 1218 G N 0.050 108.863 108.800 0.023 0.000 2.348 1218 G HA2 0.527 4.487 3.960 0.000 0.000 0.312 1218 G HA3 0.527 4.487 3.960 0.000 0.000 0.312 1218 G C -0.511 174.398 174.900 0.015 0.000 1.126 1218 G CA -0.385 44.730 45.100 0.025 0.000 0.865 1218 G HN 0.915 nan 8.290 nan 0.000 0.474 1219 V N 3.524 123.444 119.914 0.011 0.000 2.439 1219 V HA 0.086 4.206 4.120 0.000 0.000 0.271 1219 V C 1.343 177.436 176.094 -0.001 0.000 1.040 1219 V CA 0.152 62.453 62.300 0.001 0.000 1.002 1219 V CB 0.608 32.427 31.823 -0.006 0.000 1.000 1219 V HN 0.768 nan 8.190 nan 0.000 0.477 1220 I N 3.384 123.957 120.570 0.005 0.000 4.057 1220 I HA 0.544 4.714 4.170 0.000 0.000 0.334 1220 I C 0.203 176.326 176.117 0.010 0.000 1.308 1220 I CA 0.288 61.593 61.300 0.008 0.000 1.125 1220 I CB 1.039 39.050 38.000 0.019 0.000 1.034 1220 I HN 0.414 nan 8.210 nan 0.000 0.401 1221 V N 1.323 121.240 119.914 0.005 0.000 3.023 1221 V HA 0.399 4.519 4.120 0.000 0.000 0.294 1221 V C -1.836 174.254 176.094 -0.006 0.000 1.324 1221 V CA -0.593 61.710 62.300 0.005 0.000 0.979 1221 V CB 2.220 34.053 31.823 0.017 0.000 1.093 1221 V HN 0.368 nan 8.190 nan 0.000 0.434 1222 N N 5.078 123.773 118.700 -0.007 0.000 2.424 1222 N HA 0.397 5.137 4.740 0.000 0.000 0.271 1222 N C 0.468 175.978 175.510 0.001 0.000 0.985 1222 N CA -0.621 52.420 53.050 -0.015 0.000 0.921 1222 N CB 1.731 40.204 38.487 -0.025 0.000 1.149 1222 N HN 0.624 nan 8.380 nan 0.000 0.492 1223 R N 1.360 121.864 120.500 0.008 0.000 2.323 1223 R HA 0.010 4.350 4.340 0.000 0.000 0.198 1223 R C 1.069 177.389 176.300 0.034 0.000 0.988 1223 R CA 0.663 56.781 56.100 0.030 0.000 1.041 1223 R CB -0.252 30.085 30.300 0.062 0.000 0.926 1223 R HN 0.670 nan 8.270 nan 0.000 0.476 1224 T N -3.911 110.654 114.554 0.018 0.000 2.978 1224 T HA 0.153 4.503 4.350 0.000 0.000 0.248 1224 T C 0.960 175.669 174.700 0.015 0.000 1.018 1224 T CA -0.237 61.875 62.100 0.020 0.000 1.026 1224 T CB 0.581 69.457 68.868 0.013 0.000 1.032 1224 T HN 0.008 nan 8.240 nan 0.000 0.485 1225 Q N 1.106 120.912 119.800 0.009 0.000 2.354 1225 Q HA 0.289 4.630 4.340 0.000 0.000 0.244 1225 Q C 0.967 176.975 176.000 0.013 0.000 0.969 1225 Q CA -0.248 55.561 55.803 0.009 0.000 0.885 1225 Q CB 1.111 29.851 28.738 0.003 0.000 1.241 1225 Q HN 0.439 nan 8.270 nan 0.000 0.461 1226 Q N 0.937 120.745 119.800 0.013 0.000 2.089 1226 Q HA -0.041 4.300 4.340 0.000 0.000 0.195 1226 Q C -0.289 175.719 176.000 0.014 0.000 0.963 1226 Q CA 0.787 56.599 55.803 0.015 0.000 0.834 1226 Q CB 0.268 29.014 28.738 0.013 0.000 0.906 1226 Q HN 0.564 nan 8.270 nan 0.000 0.452 1227 E N 1.384 121.591 120.200 0.011 0.000 2.299 1227 E HA 0.192 4.543 4.350 0.000 0.000 0.272 1227 E C -0.828 175.778 176.600 0.010 0.000 1.043 1227 E CA 0.006 56.412 56.400 0.010 0.000 0.895 1227 E CB 0.776 30.480 29.700 0.007 0.000 1.011 1227 E HN 0.182 nan 8.360 nan 0.000 0.432 1228 I N 5.742 126.319 120.570 0.012 0.000 2.339 1228 I HA 0.215 4.385 4.170 0.000 0.000 0.290 1228 I C -1.629 174.494 176.117 0.010 0.000 0.994 1228 I CA -2.228 59.080 61.300 0.013 0.000 1.191 1228 I CB 1.111 39.124 38.000 0.021 0.000 1.343 1228 I HN 0.379 nan 8.210 nan 0.000 0.458 1229 P HA 0.026 nan 4.420 nan 0.000 0.269 1229 P C -0.615 176.687 177.300 0.003 0.000 1.211 1229 P CA -0.155 62.947 63.100 0.002 0.000 0.781 1229 P CB 0.410 32.108 31.700 -0.002 0.000 0.877 1230 N N -0.117 118.583 118.700 0.000 0.000 2.292 1230 N HA 0.092 4.832 4.740 0.000 0.000 0.278 1230 N C 1.268 176.778 175.510 0.000 0.000 1.289 1230 N CA -0.300 52.750 53.050 0.001 0.000 0.934 1230 N CB 0.003 38.489 38.487 -0.001 0.000 1.069 1230 N HN 0.332 nan 8.380 nan 0.000 0.513 1231 A N 0.192 123.012 122.820 -0.001 0.000 1.903 1231 A HA -0.269 4.051 4.320 0.000 0.000 0.219 1231 A C 1.396 178.978 177.584 -0.004 0.000 1.191 1231 A CA 2.088 54.124 52.037 -0.002 0.000 0.638 1231 A CB -1.277 17.722 19.000 -0.003 0.000 0.823 1231 A HN 0.884 nan 8.150 nan 0.000 0.451 1232 E N 0.547 120.744 120.200 -0.005 0.000 2.392 1232 E HA 0.185 4.535 4.350 0.000 0.000 0.307 1232 E C 0.769 177.364 176.600 -0.007 0.000 1.505 1232 E CA 0.444 56.840 56.400 -0.007 0.000 1.716 1232 E CB -0.568 29.127 29.700 -0.008 0.000 1.450 1232 E HN 0.461 nan 8.360 nan 0.000 0.484 1233 T N 0.005 114.556 114.554 -0.004 0.000 2.788 1233 T HA -0.237 4.113 4.350 0.000 0.000 0.268 1233 T C 1.550 176.248 174.700 -0.004 0.000 1.044 1233 T CA 1.397 63.495 62.100 -0.002 0.000 1.139 1233 T CB -0.087 68.784 68.868 0.005 0.000 0.867 1233 T HN 0.459 nan 8.240 nan 0.000 0.454 1234 M N -0.874 118.724 119.600 -0.003 0.000 2.556 1234 M HA 0.207 4.687 4.480 0.000 0.000 0.264 1234 M C 2.273 178.570 176.300 -0.004 0.000 1.163 1234 M CA 0.462 55.760 55.300 -0.003 0.000 1.186 1234 M CB 0.045 32.643 32.600 -0.003 0.000 1.321 1234 M HN 0.012 nan 8.290 nan 0.000 0.485 1235 K N 0.756 121.152 120.400 -0.007 0.000 2.108 1235 K HA -0.282 4.038 4.320 0.000 0.000 0.219 1235 K C 1.546 178.147 176.600 0.000 0.000 1.054 1235 K CA 2.005 58.288 56.287 -0.006 0.000 0.945 1235 K CB -0.526 31.970 32.500 -0.008 0.000 0.728 1235 K HN 0.591 nan 8.250 nan 0.000 0.462 1236 Q N -1.171 118.629 119.800 -0.000 0.000 2.247 1236 Q HA 0.068 4.409 4.340 0.000 0.000 0.211 1236 Q C 1.437 177.439 176.000 0.005 0.000 0.861 1236 Q CA 0.128 55.937 55.803 0.011 0.000 0.949 1236 Q CB 0.777 29.517 28.738 0.003 0.000 1.115 1236 Q HN 0.290 nan 8.270 nan 0.000 0.507 1237 T N 0.855 115.404 114.554 -0.009 0.000 2.851 1237 T HA -0.117 4.233 4.350 0.000 0.000 0.262 1237 T C 1.582 176.304 174.700 0.036 0.000 1.043 1237 T CA 0.802 62.897 62.100 -0.008 0.000 1.140 1237 T CB 0.068 68.927 68.868 -0.015 0.000 0.872 1237 T HN 0.314 nan 8.240 nan 0.000 0.446 1238 E N 1.282 121.496 120.200 0.024 0.000 2.058 1238 E HA -0.159 4.191 4.350 0.000 0.000 0.194 1238 E C 2.220 178.842 176.600 0.037 0.000 0.997 1238 E CA 1.370 57.783 56.400 0.022 0.000 0.801 1238 E CB -0.110 29.591 29.700 0.003 0.000 0.746 1238 E HN 0.347 nan 8.360 nan 0.000 0.450 1239 S N -0.378 115.351 115.700 0.048 0.000 2.419 1239 S HA -0.176 4.294 4.470 0.000 0.000 0.235 1239 S C 1.611 176.263 174.600 0.086 0.000 1.019 1239 S CA 1.316 59.549 58.200 0.055 0.000 0.982 1239 S CB -0.354 62.883 63.200 0.063 0.000 0.789 1239 S HN 0.379 nan 8.310 nan 0.000 0.490 1240 H N 1.152 120.212 119.070 -0.017 0.000 2.317 1240 H HA 0.265 4.821 4.556 0.000 0.000 0.304 1240 H C 2.324 177.642 175.328 -0.017 0.000 1.067 1240 H CA 1.339 57.377 56.048 -0.017 0.000 1.352 1240 H CB -0.578 29.175 29.762 -0.014 0.000 1.398 1240 H HN 0.354 nan 8.280 nan 0.000 0.510 1241 A N -0.077 122.807 122.820 0.108 0.000 1.930 1241 A HA -0.095 4.225 4.320 0.000 0.000 0.217 1241 A C 2.563 180.153 177.584 0.010 0.000 1.175 1241 A CA 1.525 53.590 52.037 0.045 0.000 0.627 1241 A CB -0.781 18.245 19.000 0.042 0.000 0.815 1241 A HN 0.267 nan 8.150 nan 0.000 0.443 1242 V N 0.131 120.048 119.914 0.006 0.000 2.358 1242 V HA -0.175 3.946 4.120 0.000 0.000 0.246 1242 V C 2.577 178.654 176.094 -0.029 0.000 1.047 1242 V CA 2.034 64.326 62.300 -0.013 0.000 1.035 1242 V CB -0.468 31.344 31.823 -0.019 0.000 0.658 1242 V HN 0.390 nan 8.190 nan 0.000 0.452 1243 K N -0.089 120.286 120.400 -0.040 0.000 2.211 1243 K HA 0.002 4.322 4.320 0.000 0.000 0.203 1243 K C 1.869 178.428 176.600 -0.068 0.000 1.050 1243 K CA 1.317 57.566 56.287 -0.064 0.000 0.945 1243 K CB -0.353 32.087 32.500 -0.100 0.000 0.732 1243 K HN 0.454 nan 8.250 nan 0.000 0.451 1244 I N -0.528 120.005 120.570 -0.062 0.000 2.277 1244 I HA -0.195 3.975 4.170 0.000 0.000 0.243 1244 I C 2.232 178.326 176.117 -0.038 0.000 1.094 1244 I CA 0.429 61.696 61.300 -0.055 0.000 1.393 1244 I CB -0.189 37.783 38.000 -0.046 0.000 1.078 1244 I HN -0.148 nan 8.210 nan 0.000 0.417 1245 V N 0.592 120.490 119.914 -0.026 0.000 2.392 1245 V HA -0.223 3.897 4.120 0.000 0.000 0.249 1245 V C 2.354 178.434 176.094 -0.023 0.000 1.059 1245 V CA 1.799 64.087 62.300 -0.019 0.000 1.051 1245 V CB 0.063 31.881 31.823 -0.008 0.000 0.658 1245 V HN 0.220 nan 8.190 nan 0.000 0.455 1246 V N -0.105 119.793 119.914 -0.027 0.000 2.358 1246 V HA -0.182 3.938 4.120 0.000 0.000 0.246 1246 V C 2.489 178.564 176.094 -0.031 0.000 1.047 1246 V CA 2.192 64.475 62.300 -0.028 0.000 1.035 1246 V CB -0.614 31.191 31.823 -0.031 0.000 0.658 1246 V HN 0.664 nan 8.190 nan 0.000 0.452 1247 E N 0.800 120.978 120.200 -0.038 0.000 2.106 1247 E HA -0.140 4.210 4.350 0.000 0.000 0.192 1247 E C 2.101 178.678 176.600 -0.038 0.000 0.984 1247 E CA 1.481 57.857 56.400 -0.040 0.000 0.806 1247 E CB -0.405 29.265 29.700 -0.049 0.000 0.750 1247 E HN 0.510 nan 8.360 nan 0.000 0.458 1248 A N 0.679 123.476 122.820 -0.038 0.000 1.933 1248 A HA -0.020 4.300 4.320 0.000 0.000 0.218 1248 A C 2.412 179.974 177.584 -0.035 0.000 1.175 1248 A CA 1.812 53.825 52.037 -0.040 0.000 0.628 1248 A CB -0.904 18.073 19.000 -0.038 0.000 0.814 1248 A HN 0.374 nan 8.150 nan 0.000 0.444 1249 A N 0.039 122.841 122.820 -0.030 0.000 1.972 1249 A HA -0.151 4.170 4.320 0.000 0.000 0.219 1249 A C 2.168 179.734 177.584 -0.029 0.000 1.169 1249 A CA 1.355 53.374 52.037 -0.029 0.000 0.635 1249 A CB -0.463 18.521 19.000 -0.026 0.000 0.810 1249 A HN 0.583 nan 8.150 nan 0.000 0.446 1250 R N -0.345 120.139 120.500 -0.028 0.000 2.105 1250 R HA -0.132 4.208 4.340 0.000 0.000 0.239 1250 R C 1.308 177.593 176.300 -0.025 0.000 1.135 1250 R CA 1.614 57.699 56.100 -0.025 0.000 0.967 1250 R CB -0.281 30.004 30.300 -0.025 0.000 0.861 1250 R HN 0.476 nan 8.270 nan 0.000 0.442 1251 R N 0.478 120.960 120.500 -0.029 0.000 2.449 1251 R HA 0.176 4.516 4.340 0.000 0.000 0.262 1251 R C 0.670 176.953 176.300 -0.028 0.000 1.006 1251 R CA 0.182 56.265 56.100 -0.028 0.000 1.104 1251 R CB 0.344 30.623 30.300 -0.035 0.000 1.206 1251 R HN 0.169 nan 8.270 nan 0.000 0.538 1252 L N -0.065 121.141 121.223 -0.027 0.000 3.410 1252 L HA 0.287 4.627 4.340 0.000 0.000 0.309 1252 L C -0.157 176.697 176.870 -0.027 0.000 1.254 1252 L CA -0.123 54.701 54.840 -0.026 0.000 1.048 1252 L CB 0.487 42.527 42.059 -0.031 0.000 1.442 1252 L HN 0.083 nan 8.230 nan 0.000 0.615 1253 L N 0.000 121.208 121.223 -0.024 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.825 54.840 -0.024 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.022 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502