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 1zl2_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 0.000 176.295 176.300 -0.009 0.000 1.140 1001 M CA 0.000 55.303 55.300 0.004 0.000 0.988 1001 M CB 0.000 32.609 32.600 0.016 0.000 1.302 1002 S N -0.584 115.107 115.700 -0.015 0.000 2.865 1002 S HA 0.253 4.723 4.470 0.000 0.000 0.229 1002 S C -0.146 174.450 174.600 -0.005 0.000 0.759 1002 S CA -0.648 57.544 58.200 -0.012 0.000 1.142 1002 S CB 0.354 63.541 63.200 -0.022 0.000 1.380 1002 S HN 0.547 nan 8.310 nan 0.000 0.525 1003 K N 0.413 120.810 120.400 -0.004 0.000 5.379 1003 K HA -0.106 4.214 4.320 0.000 0.000 0.486 1003 K C -1.070 175.531 176.600 0.002 0.000 1.185 1003 K CA 0.863 57.150 56.287 0.001 0.000 1.355 1003 K CB -1.641 30.860 32.500 0.002 0.000 1.722 1003 K HN 0.657 nan 8.250 nan 0.000 0.399 1004 S N 1.161 116.860 115.700 -0.002 0.000 2.562 1004 S HA 0.308 4.778 4.470 0.000 0.000 0.274 1004 S C -0.130 174.476 174.600 0.009 0.000 1.160 1004 S CA -0.774 57.425 58.200 -0.002 0.000 0.933 1004 S CB 1.240 64.419 63.200 -0.035 0.000 1.100 1004 S HN 0.297 nan 8.310 nan 0.000 0.468 1005 D N 1.875 122.286 120.400 0.017 0.000 2.349 1005 D HA 0.134 4.774 4.640 0.000 0.000 0.215 1005 D C 0.917 177.240 176.300 0.039 0.000 1.016 1005 D CA 0.913 54.928 54.000 0.025 0.000 0.870 1005 D CB 0.459 41.273 40.800 0.023 0.000 0.917 1005 D HN 0.493 nan 8.370 nan 0.000 0.524 1006 V N -2.635 117.303 119.914 0.041 0.000 3.001 1006 V HA 0.387 4.507 4.120 0.000 0.000 0.314 1006 V C 0.791 176.937 176.094 0.087 0.000 1.099 1006 V CA -1.006 61.337 62.300 0.071 0.000 0.989 1006 V CB 1.755 33.612 31.823 0.056 0.000 1.040 1006 V HN -0.185 nan 8.190 nan 0.000 0.434 1007 F N 1.097 121.014 119.950 -0.054 0.000 2.259 1007 F HA 0.102 4.629 4.527 0.000 0.000 0.298 1007 F C 1.771 177.386 175.800 -0.308 0.000 1.088 1007 F CA 2.269 60.159 58.000 -0.183 0.000 1.358 1007 F CB -0.154 38.705 39.000 -0.235 0.000 1.040 1007 F HN 0.839 nan 8.300 nan 0.000 0.505 1008 H N -1.542 117.407 119.070 -0.200 0.000 2.501 1008 H HA 0.248 4.804 4.556 0.000 0.000 0.281 1008 H C 2.075 177.299 175.328 -0.174 0.000 0.988 1008 H CA 0.856 56.738 56.048 -0.276 0.000 1.232 1008 H CB -0.306 29.321 29.762 -0.225 0.000 1.455 1008 H HN 0.082 nan 8.280 nan 0.000 0.501 1009 L N 0.070 121.267 121.223 -0.044 0.000 2.275 1009 L HA 0.066 4.406 4.340 0.000 0.000 0.215 1009 L C 1.125 178.092 176.870 0.162 0.000 1.119 1009 L CA 0.824 55.685 54.840 0.035 0.000 0.790 1009 L CB -0.519 41.522 42.059 -0.031 0.000 0.919 1009 L HN 0.558 nan 8.230 nan 0.000 0.443 1010 G N 1.211 110.020 108.800 0.015 0.000 2.295 1010 G HA2 -0.268 3.692 3.960 0.000 0.000 0.287 1010 G HA3 -0.268 3.692 3.960 0.000 0.000 0.287 1010 G C -0.192 174.764 174.900 0.093 0.000 1.055 1010 G CA 0.114 45.227 45.100 0.021 0.000 0.922 1010 G HN 0.259 nan 8.290 nan 0.000 0.503 1011 L N -0.348 120.905 121.223 0.049 0.000 2.333 1011 L HA 0.872 5.212 4.340 0.000 0.000 0.263 1011 L C 0.658 177.542 176.870 0.024 0.000 1.014 1011 L CA -0.571 54.294 54.840 0.040 0.000 0.820 1011 L CB 2.497 44.581 42.059 0.042 0.000 1.352 1011 L HN 0.386 nan 8.230 nan 0.000 0.421 1012 T N -3.423 111.141 114.554 0.018 0.000 2.930 1012 T HA 0.388 4.738 4.350 0.000 0.000 0.290 1012 T C 0.549 175.256 174.700 0.011 0.000 1.052 1012 T CA -0.917 61.191 62.100 0.013 0.000 1.017 1012 T CB 2.031 70.904 68.868 0.008 0.000 1.137 1012 T HN 0.537 nan 8.240 nan 0.000 0.511 1013 K N 0.498 120.905 120.400 0.010 0.000 2.147 1013 K HA -0.149 4.171 4.320 0.000 0.000 0.205 1013 K C 1.994 178.596 176.600 0.003 0.000 1.049 1013 K CA 1.527 57.819 56.287 0.008 0.000 0.936 1013 K CB -0.349 32.156 32.500 0.008 0.000 0.722 1013 K HN 0.612 nan 8.250 nan 0.000 0.446 1014 N N 1.561 120.262 118.700 0.002 0.000 2.166 1014 N HA -0.167 4.573 4.740 0.000 0.000 0.186 1014 N C 1.231 176.738 175.510 -0.004 0.000 1.019 1014 N CA 1.417 54.467 53.050 -0.001 0.000 0.856 1014 N CB -0.027 38.459 38.487 -0.002 0.000 0.993 1014 N HN 0.074 nan 8.380 nan 0.000 0.426 1015 D N -0.321 120.077 120.400 -0.003 0.000 2.149 1015 D HA -0.117 4.523 4.640 0.000 0.000 0.198 1015 D C 1.540 177.838 176.300 -0.004 0.000 0.990 1015 D CA 0.735 54.732 54.000 -0.006 0.000 0.839 1015 D CB -0.154 40.645 40.800 -0.002 0.000 0.948 1015 D HN 0.267 nan 8.370 nan 0.000 0.460 1016 L N 0.487 121.709 121.223 -0.001 0.000 2.395 1016 L HA -0.007 4.333 4.340 0.000 0.000 0.218 1016 L C 0.753 177.620 176.870 -0.005 0.000 1.130 1016 L CA 0.555 55.393 54.840 -0.002 0.000 0.826 1016 L CB -0.393 41.662 42.059 -0.006 0.000 0.941 1016 L HN -0.032 nan 8.230 nan 0.000 0.451 1017 Q N 0.025 119.822 119.800 -0.005 0.000 2.434 1017 Q HA -0.274 4.066 4.340 0.000 0.000 0.299 1017 Q C 1.272 177.268 176.000 -0.007 0.000 1.286 1017 Q CA 0.961 56.760 55.803 -0.005 0.000 0.872 1017 Q CB -2.167 26.568 28.738 -0.004 0.000 1.193 1017 Q HN 0.680 nan 8.270 nan 0.000 0.466 1018 G N -2.068 106.727 108.800 -0.009 0.000 2.179 1018 G HA2 -0.273 3.687 3.960 0.000 0.000 0.260 1018 G HA3 -0.273 3.687 3.960 0.000 0.000 0.260 1018 G C 0.370 175.257 174.900 -0.020 0.000 0.977 1018 G CA 0.423 45.516 45.100 -0.012 0.000 0.641 1018 G HN 1.231 nan 8.290 nan 0.000 0.533 1019 A N -0.441 122.365 122.820 -0.023 0.000 2.531 1019 A HA 0.575 4.895 4.320 0.000 0.000 0.236 1019 A C 1.036 178.586 177.584 -0.057 0.000 1.062 1019 A CA 1.456 53.471 52.037 -0.037 0.000 0.760 1019 A CB 0.245 19.225 19.000 -0.033 0.000 0.995 1019 A HN 0.583 nan 8.150 nan 0.000 0.501 1020 Q N 0.438 120.192 119.800 -0.077 0.000 2.140 1020 Q HA 0.319 4.660 4.340 0.000 0.000 0.227 1020 Q C -0.550 175.345 176.000 -0.175 0.000 0.798 1020 Q CA -0.031 55.709 55.803 -0.105 0.000 0.987 1020 Q CB 0.777 29.473 28.738 -0.069 0.000 1.161 1020 Q HN 0.730 nan 8.270 nan 0.000 0.480 1021 L N 0.630 121.754 121.223 -0.165 0.000 2.365 1021 L HA 0.847 5.187 4.340 0.000 0.000 0.273 1021 L C -1.734 175.012 176.870 -0.207 0.000 1.000 1021 L CA -0.654 54.061 54.840 -0.209 0.000 0.819 1021 L CB 1.710 43.695 42.059 -0.124 0.000 1.284 1021 L HN -0.077 nan 8.230 nan 0.000 0.418 1022 A N 5.702 128.350 122.820 -0.286 0.000 2.393 1022 A HA 0.700 5.020 4.320 0.000 0.000 0.306 1022 A C -1.059 176.494 177.584 -0.052 0.000 1.050 1022 A CA -0.541 51.400 52.037 -0.161 0.000 0.724 1022 A CB 1.178 20.065 19.000 -0.188 0.000 1.248 1022 A HN 0.671 nan 8.150 nan 0.000 0.424 1023 I N 2.682 123.254 120.570 0.003 0.000 2.331 1023 I HA 0.378 4.549 4.170 0.000 0.000 0.292 1023 I C -0.260 175.898 176.117 0.069 0.000 0.998 1023 I CA -0.700 60.618 61.300 0.031 0.000 1.267 1023 I CB 1.774 39.779 38.000 0.009 0.000 1.386 1023 I HN 0.471 nan 8.210 nan 0.000 0.476 1024 V N 5.824 125.795 119.914 0.095 0.000 2.289 1024 V HA 0.508 4.629 4.120 0.000 0.000 0.272 1024 V C -2.502 173.637 176.094 0.075 0.000 1.026 1024 V CA -1.837 60.529 62.300 0.111 0.000 0.807 1024 V CB 0.458 32.381 31.823 0.168 0.000 1.044 1024 V HN 0.472 nan 8.190 nan 0.000 0.443 1025 P HA 0.332 nan 4.420 nan 0.000 0.276 1025 P C 0.867 178.190 177.300 0.038 0.000 1.261 1025 P CA 0.216 63.335 63.100 0.033 0.000 0.800 1025 P CB 1.945 33.653 31.700 0.013 0.000 1.066 1026 G N -0.477 108.335 108.800 0.021 0.000 2.459 1026 G HA2 -0.052 3.909 3.960 0.000 0.000 0.213 1026 G HA3 -0.052 3.909 3.960 0.000 0.000 0.213 1026 G C 0.287 175.185 174.900 -0.004 0.000 1.155 1026 G CA 0.386 45.495 45.100 0.014 0.000 0.811 1026 G HN 0.512 nan 8.290 nan 0.000 0.534 1027 D N 0.633 121.027 120.400 -0.010 0.000 2.295 1027 D HA 0.234 4.874 4.640 0.000 0.000 0.248 1027 D C -1.075 175.217 176.300 -0.013 0.000 1.154 1027 D CA -2.493 51.494 54.000 -0.022 0.000 0.857 1027 D CB 2.174 42.958 40.800 -0.027 0.000 1.117 1027 D HN 0.011 nan 8.370 nan 0.000 0.468 1028 P HA -0.128 nan 4.420 nan 0.000 0.222 1028 P C 0.607 177.911 177.300 0.007 0.000 1.147 1028 P CA 0.910 64.016 63.100 0.010 0.000 0.790 1028 P CB 0.481 32.179 31.700 -0.003 0.000 0.780 1029 E N -0.472 119.719 120.200 -0.015 0.000 2.285 1029 E HA -0.066 4.284 4.350 0.000 0.000 0.194 1029 E C 2.258 178.826 176.600 -0.054 0.000 0.997 1029 E CA 0.313 56.697 56.400 -0.025 0.000 0.845 1029 E CB -0.251 29.433 29.700 -0.027 0.000 0.782 1029 E HN 0.142 nan 8.360 nan 0.000 0.491 1030 R N 0.358 120.826 120.500 -0.054 0.000 2.276 1030 R HA -0.002 4.338 4.340 0.000 0.000 0.196 1030 R C 1.717 177.946 176.300 -0.119 0.000 0.961 1030 R CA 0.199 56.254 56.100 -0.076 0.000 1.024 1030 R CB 0.267 30.538 30.300 -0.048 0.000 0.940 1030 R HN 0.040 nan 8.270 nan 0.000 0.480 1031 V N 1.259 121.107 119.914 -0.110 0.000 2.255 1031 V HA -0.287 3.833 4.120 0.000 0.000 0.247 1031 V C 2.252 178.081 176.094 -0.442 0.000 1.051 1031 V CA 2.324 64.529 62.300 -0.158 0.000 1.018 1031 V CB -0.532 31.281 31.823 -0.016 0.000 0.641 1031 V HN 0.460 nan 8.190 nan 0.000 0.445 1032 E N -0.055 119.764 120.200 -0.634 0.000 2.110 1032 E HA -0.241 4.109 4.350 0.000 0.000 0.193 1032 E C 2.264 178.489 176.600 -0.624 0.000 0.988 1032 E CA 1.087 56.841 56.400 -1.077 0.000 0.804 1032 E CB 0.033 29.286 29.700 -0.745 0.000 0.745 1032 E HN 0.475 nan 8.360 nan 0.000 0.458 1033 K N 0.328 120.517 120.400 -0.352 0.000 2.057 1033 K HA -0.144 4.177 4.320 0.000 0.000 0.207 1033 K C 2.225 178.706 176.600 -0.199 0.000 1.049 1033 K CA 1.110 57.262 56.287 -0.223 0.000 0.931 1033 K CB -0.363 32.051 32.500 -0.143 0.000 0.714 1033 K HN 0.313 nan 8.250 nan 0.000 0.440 1034 I N 1.152 121.607 120.570 -0.192 0.000 2.286 1034 I HA -0.204 3.966 4.170 0.000 0.000 0.245 1034 I C 2.470 178.499 176.117 -0.147 0.000 1.104 1034 I CA 0.983 62.201 61.300 -0.136 0.000 1.397 1034 I CB -0.357 37.585 38.000 -0.097 0.000 1.072 1034 I HN 0.045 nan 8.210 nan 0.000 0.417 1035 A N 0.716 123.400 122.820 -0.227 0.000 1.972 1035 A HA -0.127 4.194 4.320 0.000 0.000 0.219 1035 A C 2.457 179.952 177.584 -0.148 0.000 1.169 1035 A CA 1.623 53.556 52.037 -0.174 0.000 0.635 1035 A CB -0.746 18.096 19.000 -0.262 0.000 0.810 1035 A HN 0.422 nan 8.150 nan 0.000 0.446 1036 A N -1.110 121.583 122.820 -0.212 0.000 2.178 1036 A HA 0.110 4.431 4.320 0.000 0.000 0.218 1036 A C 1.637 179.173 177.584 -0.080 0.000 1.157 1036 A CA 1.161 53.114 52.037 -0.138 0.000 0.689 1036 A CB -0.348 18.557 19.000 -0.157 0.000 0.787 1036 A HN 0.375 nan 8.150 nan 0.000 0.465 1037 L N -1.176 120.001 121.223 -0.078 0.000 2.591 1037 L HA 0.262 4.602 4.340 0.000 0.000 0.228 1037 L C 0.952 177.799 176.870 -0.038 0.000 1.133 1037 L CA 0.810 55.617 54.840 -0.055 0.000 0.880 1037 L CB -0.458 41.566 42.059 -0.059 0.000 1.033 1037 L HN 0.391 nan 8.230 nan 0.000 0.450 1038 M N -2.088 117.494 119.600 -0.030 0.000 2.821 1038 M HA 0.330 4.810 4.480 0.000 0.000 0.294 1038 M C -0.709 175.594 176.300 0.004 0.000 1.195 1038 M CA -0.906 54.387 55.300 -0.011 0.000 0.784 1038 M CB 1.226 33.824 32.600 -0.003 0.000 1.755 1038 M HN -0.236 nan 8.290 nan 0.000 0.477 1039 D N 1.491 121.899 120.400 0.013 0.000 2.225 1039 D HA 0.191 4.831 4.640 0.000 0.000 0.249 1039 D C -0.404 175.920 176.300 0.040 0.000 1.052 1039 D CA -0.047 53.966 54.000 0.021 0.000 0.909 1039 D CB 0.891 41.699 40.800 0.013 0.000 1.186 1039 D HN 0.374 nan 8.370 nan 0.000 0.431 1040 K N -0.447 119.981 120.400 0.047 0.000 3.156 1040 K HA -0.125 4.196 4.320 0.000 0.000 0.266 1040 K C -2.351 174.310 176.600 0.101 0.000 0.966 1040 K CA 0.234 56.557 56.287 0.060 0.000 0.719 1040 K CB -2.141 30.383 32.500 0.039 0.000 1.333 1040 K HN 0.454 nan 8.250 nan 0.000 0.468 1041 P HA 0.245 nan 4.420 nan 0.000 0.276 1041 P C -0.214 177.307 177.300 0.369 0.000 1.230 1041 P CA -0.274 63.004 63.100 0.297 0.000 0.776 1041 P CB 1.535 33.410 31.700 0.292 0.000 0.888 1042 V N 3.115 123.179 119.914 0.250 0.000 2.841 1042 V HA 0.341 4.461 4.120 0.000 0.000 0.310 1042 V C -0.341 175.331 176.094 -0.704 0.000 1.090 1042 V CA -1.164 61.025 62.300 -0.184 0.000 0.930 1042 V CB 2.184 33.930 31.823 -0.129 0.000 1.014 1042 V HN 0.538 nan 8.190 nan 0.000 0.425 1043 K N 4.934 124.431 120.400 -1.505 0.000 2.322 1043 K HA 0.391 4.711 4.320 0.000 0.000 0.283 1043 K C 0.209 176.392 176.600 -0.696 0.000 1.042 1043 K CA -0.267 54.984 56.287 -1.725 0.000 0.958 1043 K CB 1.067 32.646 32.500 -1.535 0.000 0.984 1043 K HN 0.781 nan 8.250 nan 0.000 0.473 1044 L N 2.580 123.533 121.223 -0.451 0.000 2.262 1044 L HA 0.322 4.662 4.340 0.000 0.000 0.197 1044 L C 0.584 177.361 176.870 -0.154 0.000 1.073 1044 L CA 0.218 54.934 54.840 -0.208 0.000 0.800 1044 L CB 0.189 42.195 42.059 -0.089 0.000 0.987 1044 L HN 0.766 nan 8.230 nan 0.000 0.470 1045 A N -1.160 121.580 122.820 -0.133 0.000 2.586 1045 A HA 0.618 4.938 4.320 0.000 0.000 0.290 1045 A C -1.230 176.260 177.584 -0.156 0.000 1.086 1045 A CA -0.285 51.668 52.037 -0.140 0.000 0.665 1045 A CB 1.677 20.671 19.000 -0.010 0.000 1.279 1045 A HN -0.135 nan 8.150 nan 0.000 0.423 1046 S N 0.508 115.987 115.700 -0.370 0.000 2.750 1046 S HA 0.635 5.105 4.470 0.000 0.000 0.276 1046 S C -1.821 172.491 174.600 -0.480 0.000 1.165 1046 S CA -0.469 57.580 58.200 -0.251 0.000 1.047 1046 S CB 0.286 63.404 63.200 -0.137 0.000 1.056 1046 S HN 0.715 nan 8.310 nan 0.000 0.481 1047 H N 3.631 122.765 119.070 0.107 0.000 2.782 1047 H HA 0.538 5.095 4.556 0.000 0.000 0.347 1047 H C 0.562 175.958 175.328 0.112 0.000 1.038 1047 H CA -0.392 55.717 56.048 0.101 0.000 1.255 1047 H CB 1.509 31.340 29.762 0.116 0.000 1.623 1047 H HN 0.783 nan 8.280 nan 0.000 0.525 1048 R N 0.467 121.045 120.500 0.130 0.000 3.815 1048 R HA -0.217 4.124 4.340 0.000 0.000 0.470 1048 R C 1.098 177.304 176.300 -0.157 0.000 0.241 1048 R CA 1.748 57.839 56.100 -0.015 0.000 1.481 1048 R CB -0.688 29.611 30.300 -0.002 0.000 0.988 1048 R HN 0.766 nan 8.270 nan 0.000 0.570 1049 E N 2.021 121.953 120.200 -0.446 0.000 2.463 1049 E HA -0.014 4.337 4.350 0.000 0.000 0.191 1049 E C -0.161 176.158 176.600 -0.468 0.000 1.083 1049 E CA 0.726 56.851 56.400 -0.458 0.000 0.872 1049 E CB -0.023 29.380 29.700 -0.495 0.000 0.966 1049 E HN 0.349 nan 8.360 nan 0.000 0.491 1050 F N 1.613 121.598 119.950 0.058 0.000 2.303 1050 F HA 0.295 4.822 4.527 0.000 0.000 0.368 1050 F C 0.234 176.075 175.800 0.067 0.000 1.105 1050 F CA -0.660 57.383 58.000 0.071 0.000 1.153 1050 F CB 1.380 40.438 39.000 0.097 0.000 1.362 1050 F HN -0.308 nan 8.300 nan 0.000 0.511 1051 T N 2.114 116.792 114.554 0.206 0.000 2.794 1051 T HA 0.516 4.866 4.350 0.000 0.000 0.280 1051 T C -0.321 174.519 174.700 0.232 0.000 0.987 1051 T CA -0.760 61.446 62.100 0.177 0.000 0.993 1051 T CB 1.234 70.197 68.868 0.159 0.000 0.939 1051 T HN 0.544 nan 8.240 nan 0.000 0.449 1052 S N 2.088 117.918 115.700 0.218 0.000 2.536 1052 S HA 0.802 5.272 4.470 0.000 0.000 0.287 1052 S C -1.693 173.054 174.600 0.244 0.000 1.101 1052 S CA -1.007 57.332 58.200 0.231 0.000 0.950 1052 S CB 1.360 64.648 63.200 0.146 0.000 1.056 1052 S HN 0.668 nan 8.310 nan 0.000 0.481 1053 W N 0.908 122.219 121.300 0.018 0.000 2.962 1053 W HA 0.684 5.344 4.660 0.000 0.000 0.341 1053 W C 0.017 176.538 176.519 0.003 0.000 1.155 1053 W CA -0.739 56.610 57.345 0.007 0.000 1.165 1053 W CB 1.971 31.433 29.460 0.003 0.000 1.435 1053 W HN 0.805 nan 8.180 nan 0.000 0.546 1054 R N 1.595 122.225 120.500 0.217 0.000 2.670 1054 R HA 0.900 5.240 4.340 0.000 0.000 0.289 1054 R C -0.864 175.530 176.300 0.158 0.000 0.965 1054 R CA -0.427 55.752 56.100 0.131 0.000 0.899 1054 R CB 1.612 31.943 30.300 0.051 0.000 1.173 1054 R HN 0.625 nan 8.270 nan 0.000 0.456 1055 A N 2.760 125.644 122.820 0.108 0.000 2.567 1055 A HA 0.517 4.838 4.320 0.000 0.000 0.289 1055 A C -1.552 176.059 177.584 0.046 0.000 1.177 1055 A CA -0.782 51.309 52.037 0.091 0.000 0.694 1055 A CB 1.724 20.777 19.000 0.088 0.000 1.292 1055 A HN 0.736 nan 8.150 nan 0.000 0.425 1056 E N -0.519 119.702 120.200 0.034 0.000 2.199 1056 E HA 0.544 4.895 4.350 0.000 0.000 0.269 1056 E C -1.845 174.760 176.600 0.007 0.000 0.899 1056 E CA -0.635 55.775 56.400 0.016 0.000 0.772 1056 E CB 2.384 32.093 29.700 0.015 0.000 1.155 1056 E HN 0.373 nan 8.360 nan 0.000 0.408 1057 L N 3.626 124.848 121.223 -0.001 0.000 2.372 1057 L HA 0.324 4.664 4.340 0.000 0.000 0.273 1057 L C -1.098 175.767 176.870 -0.010 0.000 0.989 1057 L CA -0.178 54.657 54.840 -0.008 0.000 0.841 1057 L CB 1.004 43.055 42.059 -0.014 0.000 1.225 1057 L HN 0.480 nan 8.230 nan 0.000 0.414 1058 D N 4.388 124.782 120.400 -0.009 0.000 2.751 1058 D HA -0.187 4.453 4.640 0.000 0.000 0.233 1058 D C 1.160 177.455 176.300 -0.007 0.000 1.149 1058 D CA 1.667 55.662 54.000 -0.009 0.000 0.682 1058 D CB -1.112 39.681 40.800 -0.012 0.000 1.068 1058 D HN 1.210 nan 8.370 nan 0.000 0.429 1059 G N -0.979 107.818 108.800 -0.004 0.000 2.179 1059 G HA2 -0.363 3.597 3.960 0.000 0.000 0.260 1059 G HA3 -0.363 3.597 3.960 0.000 0.000 0.260 1059 G C 0.266 175.164 174.900 -0.004 0.000 0.977 1059 G CA 0.755 45.854 45.100 -0.003 0.000 0.641 1059 G HN 0.495 nan 8.290 nan 0.000 0.533 1060 K N 0.367 120.764 120.400 -0.006 0.000 2.207 1060 K HA 0.719 5.039 4.320 0.000 0.000 0.255 1060 K C 0.416 177.012 176.600 -0.007 0.000 0.941 1060 K CA -0.212 56.071 56.287 -0.008 0.000 0.825 1060 K CB 2.058 34.550 32.500 -0.013 0.000 1.119 1060 K HN 0.486 nan 8.250 nan 0.000 0.430 1061 A N 2.091 124.907 122.820 -0.007 0.000 2.511 1061 A HA 0.339 4.659 4.320 0.000 0.000 0.242 1061 A C -0.247 177.331 177.584 -0.011 0.000 1.069 1061 A CA -0.073 51.962 52.037 -0.003 0.000 0.763 1061 A CB 0.193 19.190 19.000 -0.004 0.000 1.001 1061 A HN 0.407 nan 8.150 nan 0.000 0.498 1062 V N 3.937 123.850 119.914 -0.002 0.000 2.841 1062 V HA 0.390 4.510 4.120 0.000 0.000 0.310 1062 V C -0.525 175.575 176.094 0.011 0.000 1.090 1062 V CA -0.671 61.623 62.300 -0.011 0.000 0.930 1062 V CB 1.950 33.767 31.823 -0.011 0.000 1.014 1062 V HN 0.771 nan 8.190 nan 0.000 0.425 1063 I N 3.358 123.927 120.570 -0.002 0.000 2.525 1063 I HA 0.580 4.750 4.170 0.000 0.000 0.301 1063 I C -0.442 175.702 176.117 0.045 0.000 0.992 1063 I CA -0.617 60.702 61.300 0.031 0.000 1.162 1063 I CB 2.046 40.052 38.000 0.011 0.000 1.332 1063 I HN 0.275 nan 8.210 nan 0.000 0.458 1064 V N 4.781 124.753 119.914 0.096 0.000 2.483 1064 V HA 0.399 4.519 4.120 0.000 0.000 0.297 1064 V C -0.603 175.573 176.094 0.138 0.000 1.027 1064 V CA -0.486 61.869 62.300 0.092 0.000 0.855 1064 V CB 2.084 33.946 31.823 0.066 0.000 0.995 1064 V HN 0.898 nan 8.190 nan 0.000 0.424 1065 C N 5.072 124.449 119.300 0.129 0.000 2.551 1065 C HA 0.721 5.181 4.460 0.000 0.000 0.332 1065 C C 0.519 175.608 174.990 0.166 0.000 1.139 1065 C CA -0.373 58.744 59.018 0.165 0.000 1.328 1065 C CB 1.209 29.048 27.740 0.165 0.000 1.903 1065 C HN 1.038 nan 8.230 nan 0.000 0.459 1066 S N 3.297 119.102 115.700 0.175 0.000 2.585 1066 S HA 0.369 4.840 4.470 0.000 0.000 0.273 1066 S C 0.923 175.657 174.600 0.222 0.000 1.339 1066 S CA 0.420 58.706 58.200 0.143 0.000 1.028 1066 S CB 1.303 64.554 63.200 0.085 0.000 0.906 1066 S HN 1.071 nan 8.310 nan 0.000 0.528 1067 T N -1.431 113.216 114.554 0.155 0.000 2.990 1067 T HA 0.530 4.881 4.350 0.000 0.000 0.250 1067 T C 1.159 175.911 174.700 0.087 0.000 1.041 1067 T CA 0.312 62.532 62.100 0.200 0.000 1.010 1067 T CB -0.839 68.100 68.868 0.119 0.000 1.003 1067 T HN 1.969 nan 8.240 nan 0.000 0.499 1068 G N 1.397 110.183 108.800 -0.024 0.000 2.796 1068 G HA2 -0.089 3.871 3.960 0.000 0.000 0.571 1068 G HA3 -0.089 3.871 3.960 0.000 0.000 0.571 1068 G C -0.675 174.199 174.900 -0.043 0.000 1.370 1068 G CA -0.559 44.478 45.100 -0.105 0.000 0.856 1068 G HN 0.616 nan 8.290 nan 0.000 0.538 1069 I N 1.988 122.527 120.570 -0.052 0.000 2.395 1069 I HA 0.536 4.706 4.170 0.000 0.000 0.289 1069 I C 1.106 177.215 176.117 -0.013 0.000 1.023 1069 I CA 0.971 62.256 61.300 -0.026 0.000 1.350 1069 I CB 0.810 38.790 38.000 -0.033 0.000 1.409 1069 I HN 2.047 nan 8.210 nan 0.000 0.507 1070 G N 3.836 112.636 108.800 0.000 0.000 2.675 1070 G HA2 -0.094 3.866 3.960 0.000 0.000 0.686 1070 G HA3 -0.094 3.866 3.960 0.000 0.000 0.686 1070 G C 0.538 175.441 174.900 0.006 0.000 1.215 1070 G CA -0.457 44.645 45.100 0.003 0.000 0.777 1070 G HN 0.948 nan 8.290 nan 0.000 0.638 1071 G N 0.469 109.269 108.800 0.001 0.000 2.422 1071 G HA2 0.084 4.044 3.960 0.000 0.000 0.218 1071 G HA3 0.084 4.044 3.960 0.000 0.000 0.218 1071 G C 0.111 175.016 174.900 0.009 0.000 1.146 1071 G CA 2.042 47.141 45.100 -0.001 0.000 0.769 1071 G HN 0.677 nan 8.290 nan 0.000 0.547 1072 P HA -0.130 nan 4.420 nan 0.000 0.214 1072 P C 2.497 179.828 177.300 0.052 0.000 1.163 1072 P CA 2.419 65.526 63.100 0.013 0.000 0.883 1072 P CB -0.230 31.472 31.700 0.004 0.000 0.788 1073 S N -1.965 113.775 115.700 0.068 0.000 2.402 1073 S HA -0.133 4.337 4.470 0.000 0.000 0.229 1073 S C 1.946 176.673 174.600 0.211 0.000 1.021 1073 S CA 1.868 60.167 58.200 0.165 0.000 0.974 1073 S CB -1.980 61.256 63.200 0.059 0.000 0.800 1073 S HN 0.093 nan 8.310 nan 0.000 0.484 1074 T N 3.042 117.657 114.554 0.102 0.000 2.746 1074 T HA -0.110 4.241 4.350 0.000 0.000 0.267 1074 T C 2.342 177.037 174.700 -0.007 0.000 1.039 1074 T CA 1.852 63.986 62.100 0.057 0.000 1.142 1074 T CB -0.755 68.114 68.868 0.002 0.000 0.866 1074 T HN 0.802 nan 8.240 nan 0.000 0.444 1075 S N 1.247 116.947 115.700 -0.001 0.000 2.399 1075 S HA -0.038 4.432 4.470 0.000 0.000 0.231 1075 S C 2.059 176.655 174.600 -0.006 0.000 1.022 1075 S CA 0.798 58.997 58.200 -0.001 0.000 0.983 1075 S CB -0.748 62.554 63.200 0.169 0.000 0.803 1075 S HN 0.501 nan 8.310 nan 0.000 0.480 1076 I N 2.015 122.569 120.570 -0.025 0.000 2.233 1076 I HA -0.082 4.089 4.170 0.000 0.000 0.243 1076 I C 3.115 179.095 176.117 -0.229 0.000 1.093 1076 I CA 1.031 62.243 61.300 -0.148 0.000 1.380 1076 I CB -0.730 37.090 38.000 -0.299 0.000 1.067 1076 I HN 0.421 nan 8.210 nan 0.000 0.413 1077 A N 0.593 123.280 122.820 -0.222 0.000 1.883 1077 A HA -0.172 4.148 4.320 0.000 0.000 0.217 1077 A C 2.416 179.962 177.584 -0.063 0.000 1.186 1077 A CA 1.962 53.882 52.037 -0.194 0.000 0.624 1077 A CB -1.056 17.962 19.000 0.030 0.000 0.822 1077 A HN 0.237 nan 8.150 nan 0.000 0.444 1078 V N 0.245 120.089 119.914 -0.118 0.000 2.295 1078 V HA -0.258 3.862 4.120 0.000 0.000 0.246 1078 V C 2.647 178.653 176.094 -0.148 0.000 1.049 1078 V CA 2.506 64.631 62.300 -0.291 0.000 1.024 1078 V CB -0.815 30.634 31.823 -0.623 0.000 0.648 1078 V HN 0.769 nan 8.190 nan 0.000 0.447 1079 E N 0.905 121.044 120.200 -0.102 0.000 2.051 1079 E HA -0.241 4.109 4.350 0.000 0.000 0.192 1079 E C 2.079 178.703 176.600 0.039 0.000 0.991 1079 E CA 1.956 58.351 56.400 -0.009 0.000 0.799 1079 E CB -0.318 29.408 29.700 0.044 0.000 0.748 1079 E HN 0.682 nan 8.360 nan 0.000 0.449 1080 E N -0.171 120.039 120.200 0.016 0.000 2.152 1080 E HA -0.089 4.261 4.350 0.000 0.000 0.192 1080 E C 2.244 178.883 176.600 0.064 0.000 0.983 1080 E CA 0.867 57.286 56.400 0.033 0.000 0.818 1080 E CB -0.096 29.597 29.700 -0.010 0.000 0.758 1080 E HN 0.310 nan 8.360 nan 0.000 0.467 1081 L N 0.589 121.878 121.223 0.109 0.000 2.093 1081 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1081 L C 2.576 179.559 176.870 0.189 0.000 1.085 1081 L CA 0.865 55.805 54.840 0.166 0.000 0.755 1081 L CB -0.407 41.838 42.059 0.311 0.000 0.904 1081 L HN 0.136 nan 8.230 nan 0.000 0.435 1082 A N -0.425 122.557 122.820 0.270 0.000 1.902 1082 A HA -0.255 4.066 4.320 0.000 0.000 0.217 1082 A C 2.216 179.870 177.584 0.116 0.000 1.181 1082 A CA 1.529 53.705 52.037 0.233 0.000 0.623 1082 A CB -0.476 18.645 19.000 0.201 0.000 0.818 1082 A HN 0.457 nan 8.150 nan 0.000 0.443 1083 Q N -0.570 119.285 119.800 0.091 0.000 2.135 1083 Q HA -0.110 4.231 4.340 0.000 0.000 0.204 1083 Q C 1.922 177.953 176.000 0.050 0.000 0.981 1083 Q CA 1.426 57.267 55.803 0.063 0.000 0.856 1083 Q CB -0.323 28.449 28.738 0.057 0.000 0.902 1083 Q HN 0.688 nan 8.270 nan 0.000 0.425 1084 L N -1.443 119.810 121.223 0.051 0.000 2.376 1084 L HA -0.016 4.324 4.340 0.000 0.000 0.219 1084 L C 1.394 178.276 176.870 0.021 0.000 1.133 1084 L CA 0.853 55.713 54.840 0.033 0.000 0.816 1084 L CB 0.057 42.135 42.059 0.032 0.000 0.933 1084 L HN 0.488 nan 8.230 nan 0.000 0.449 1085 G N -1.106 107.709 108.800 0.025 0.000 2.318 1085 G HA2 -0.146 3.814 3.960 0.000 0.000 0.172 1085 G HA3 -0.146 3.814 3.960 0.000 0.000 0.172 1085 G C 0.202 175.086 174.900 -0.027 0.000 1.002 1085 G CA -0.710 44.393 45.100 0.005 0.000 0.697 1085 G HN 0.006 nan 8.290 nan 0.000 0.483 1086 I N 1.397 121.936 120.570 -0.053 0.000 2.648 1086 I HA 0.327 4.498 4.170 0.000 0.000 0.284 1086 I C 1.291 177.305 176.117 -0.172 0.000 1.153 1086 I CA 0.266 61.437 61.300 -0.216 0.000 1.426 1086 I CB 1.030 38.768 38.000 -0.437 0.000 1.381 1086 I HN 0.092 nan 8.210 nan 0.000 0.571 1087 R N 2.859 123.231 120.500 -0.214 0.000 2.469 1087 R HA 0.198 4.538 4.340 0.000 0.000 0.250 1087 R C -0.201 176.064 176.300 -0.058 0.000 0.909 1087 R CA 0.224 56.295 56.100 -0.048 0.000 1.050 1087 R CB 0.538 30.829 30.300 -0.015 0.000 1.256 1087 R HN 0.537 nan 8.270 nan 0.000 0.550 1088 T N 1.344 115.725 114.554 -0.288 0.000 2.841 1088 T HA 0.596 4.946 4.350 0.000 0.000 0.285 1088 T C -1.065 173.391 174.700 -0.406 0.000 0.991 1088 T CA -0.297 61.701 62.100 -0.169 0.000 0.966 1088 T CB 1.287 70.095 68.868 -0.101 0.000 0.962 1088 T HN -0.180 nan 8.240 nan 0.000 0.438 1089 F N 2.468 122.412 119.950 -0.009 0.000 2.507 1089 F HA 0.614 5.141 4.527 0.000 0.000 0.325 1089 F C -0.289 175.504 175.800 -0.011 0.000 1.116 1089 F CA -1.162 56.832 58.000 -0.010 0.000 0.930 1089 F CB 1.444 40.434 39.000 -0.017 0.000 1.146 1089 F HN 0.209 nan 8.300 nan 0.000 0.447 1090 L N 4.010 125.315 121.223 0.136 0.000 2.342 1090 L HA 0.521 4.861 4.340 0.000 0.000 0.276 1090 L C -0.175 176.741 176.870 0.076 0.000 0.997 1090 L CA -0.672 54.215 54.840 0.077 0.000 0.838 1090 L CB 1.865 43.939 42.059 0.026 0.000 1.224 1090 L HN 0.617 nan 8.230 nan 0.000 0.416 1091 R N 4.115 124.655 120.500 0.066 0.000 2.357 1091 R HA 0.537 4.878 4.340 0.000 0.000 0.296 1091 R C -1.021 175.297 176.300 0.029 0.000 1.052 1091 R CA -0.446 55.684 56.100 0.050 0.000 0.988 1091 R CB 1.377 31.700 30.300 0.037 0.000 1.025 1091 R HN 0.505 nan 8.270 nan 0.000 0.469 1092 I N 3.857 124.442 120.570 0.025 0.000 2.466 1092 I HA 0.585 4.755 4.170 0.000 0.000 0.289 1092 I C -0.902 175.223 176.117 0.014 0.000 1.026 1092 I CA -0.124 61.185 61.300 0.014 0.000 1.078 1092 I CB 1.399 39.403 38.000 0.006 0.000 1.249 1092 I HN 0.879 nan 8.210 nan 0.000 0.429 1093 G N 4.653 113.461 108.800 0.013 0.000 2.866 1093 G HA2 0.720 4.681 3.960 0.000 0.000 0.289 1093 G HA3 0.720 4.681 3.960 0.000 0.000 0.289 1093 G C -1.214 173.695 174.900 0.016 0.000 1.396 1093 G CA -0.429 44.680 45.100 0.014 0.000 0.848 1093 G HN 0.623 nan 8.290 nan 0.000 0.515 1094 T N -2.556 112.009 114.554 0.018 0.000 2.863 1094 T HA 0.751 5.101 4.350 0.000 0.000 0.285 1094 T C -0.409 174.307 174.700 0.027 0.000 1.009 1094 T CA -0.666 61.446 62.100 0.021 0.000 0.989 1094 T CB 2.062 70.941 68.868 0.018 0.000 1.004 1094 T HN 0.866 nan 8.240 nan 0.000 0.455 1095 T N 0.060 114.629 114.554 0.024 0.000 2.816 1095 T HA 0.707 5.058 4.350 0.000 0.000 0.299 1095 T C -0.723 173.989 174.700 0.019 0.000 1.230 1095 T CA -0.430 61.686 62.100 0.025 0.000 1.007 1095 T CB 1.460 70.338 68.868 0.017 0.000 1.289 1095 T HN 1.144 nan 8.240 nan 0.000 0.508 1096 G N 1.150 109.961 108.800 0.018 0.000 2.370 1096 G HA2 0.661 4.622 3.960 0.000 0.000 0.317 1096 G HA3 0.661 4.622 3.960 0.000 0.000 0.317 1096 G C -0.092 174.812 174.900 0.007 0.000 1.162 1096 G CA -0.151 44.956 45.100 0.012 0.000 0.922 1096 G HN 0.944 nan 8.290 nan 0.000 0.454 1097 A N 2.117 124.924 122.820 -0.021 0.000 2.332 1097 A HA 0.604 4.924 4.320 0.000 0.000 0.258 1097 A C 1.065 178.622 177.584 -0.044 0.000 1.087 1097 A CA -0.477 51.524 52.037 -0.060 0.000 0.802 1097 A CB 0.356 19.293 19.000 -0.106 0.000 1.042 1097 A HN 1.273 nan 8.150 nan 0.000 0.489 1098 I N -2.647 117.878 120.570 -0.074 0.000 4.147 1098 I HA 0.264 4.434 4.170 0.000 0.000 0.329 1098 I C -0.293 175.800 176.117 -0.041 0.000 1.424 1098 I CA -0.299 60.979 61.300 -0.036 0.000 1.127 1098 I CB 0.232 38.202 38.000 -0.050 0.000 1.128 1098 I HN 0.287 nan 8.210 nan 0.000 0.417 1099 Q N 2.004 121.746 119.800 -0.096 0.000 2.271 1099 Q HA 0.396 4.736 4.340 0.000 0.000 0.258 1099 Q C -1.945 174.000 176.000 -0.091 0.000 0.936 1099 Q CA -1.966 53.789 55.803 -0.080 0.000 0.909 1099 Q CB 2.020 30.652 28.738 -0.177 0.000 1.253 1099 Q HN -0.015 nan 8.270 nan 0.000 0.440 1100 P HA -0.180 nan 4.420 nan 0.000 0.216 1100 P C 0.935 178.244 177.300 0.015 0.000 1.150 1100 P CA 1.460 64.572 63.100 0.021 0.000 0.837 1100 P CB 0.104 31.838 31.700 0.057 0.000 0.786 1101 H N -1.364 117.673 119.070 -0.055 0.000 2.555 1101 H HA 0.097 4.653 4.556 0.000 0.000 0.269 1101 H C 0.462 175.738 175.328 -0.088 0.000 0.988 1101 H CA 0.197 56.215 56.048 -0.051 0.000 1.178 1101 H CB -0.818 28.920 29.762 -0.040 0.000 1.373 1101 H HN 0.156 nan 8.280 nan 0.000 0.588 1102 I N 2.996 123.203 120.570 -0.605 0.000 2.291 1102 I HA 0.073 4.244 4.170 0.000 0.000 0.292 1102 I C -0.335 175.676 176.117 -0.177 0.000 1.064 1102 I CA -0.214 60.769 61.300 -0.528 0.000 1.269 1102 I CB 0.386 37.998 38.000 -0.648 0.000 1.418 1102 I HN 0.148 nan 8.210 nan 0.000 0.485 1103 N N 4.534 123.207 118.700 -0.044 0.000 2.508 1103 N HA 0.321 5.062 4.740 0.000 0.000 0.285 1103 N C -0.480 175.025 175.510 -0.008 0.000 1.144 1103 N CA -0.775 52.268 53.050 -0.013 0.000 0.978 1103 N CB 1.609 40.104 38.487 0.014 0.000 1.180 1103 N HN 0.210 nan 8.380 nan 0.000 0.484 1104 V N 1.211 121.116 119.914 -0.015 0.000 2.788 1104 V HA 0.128 4.248 4.120 0.000 0.000 0.307 1104 V C 1.474 177.551 176.094 -0.028 0.000 1.069 1104 V CA 1.521 63.810 62.300 -0.017 0.000 1.173 1104 V CB 0.331 32.146 31.823 -0.014 0.000 0.925 1104 V HN 1.087 nan 8.190 nan 0.000 0.492 1105 G N 3.229 112.007 108.800 -0.037 0.000 2.217 1105 G HA2 -0.189 3.771 3.960 0.000 0.000 0.246 1105 G HA3 -0.189 3.771 3.960 0.000 0.000 0.246 1105 G C -0.033 174.816 174.900 -0.084 0.000 0.990 1105 G CA 0.114 45.165 45.100 -0.082 0.000 0.627 1105 G HN 0.686 nan 8.290 nan 0.000 0.522 1106 D N -0.067 120.321 120.400 -0.020 0.000 2.358 1106 D HA 0.540 5.181 4.640 0.000 0.000 0.244 1106 D C 0.498 176.817 176.300 0.032 0.000 1.163 1106 D CA 0.018 54.028 54.000 0.016 0.000 0.945 1106 D CB 1.651 42.531 40.800 0.133 0.000 1.152 1106 D HN 0.209 nan 8.370 nan 0.000 0.451 1107 V N 1.550 121.483 119.914 0.033 0.000 2.555 1107 V HA 0.394 4.514 4.120 0.000 0.000 0.302 1107 V C -0.156 175.970 176.094 0.053 0.000 1.038 1107 V CA -0.759 61.567 62.300 0.044 0.000 0.887 1107 V CB 1.499 33.352 31.823 0.050 0.000 0.991 1107 V HN 0.270 nan 8.190 nan 0.000 0.434 1108 L N 4.908 126.161 121.223 0.051 0.000 2.333 1108 L HA 0.655 4.995 4.340 0.000 0.000 0.280 1108 L C -0.797 176.090 176.870 0.029 0.000 1.004 1108 L CA -0.794 54.079 54.840 0.056 0.000 0.820 1108 L CB 1.945 44.029 42.059 0.041 0.000 1.247 1108 L HN 0.315 nan 8.230 nan 0.000 0.416 1109 V N 1.850 121.780 119.914 0.027 0.000 2.384 1109 V HA 0.317 4.437 4.120 0.000 0.000 0.287 1109 V C 0.221 176.322 176.094 0.012 0.000 1.020 1109 V CA -0.358 61.949 62.300 0.011 0.000 0.850 1109 V CB 1.884 33.707 31.823 -0.000 0.000 0.987 1109 V HN 0.748 nan 8.190 nan 0.000 0.436 1110 T N 3.332 117.888 114.554 0.004 0.000 2.743 1110 T HA 0.214 4.564 4.350 0.000 0.000 0.293 1110 T C 1.296 175.998 174.700 0.004 0.000 0.945 1110 T CA 0.175 62.275 62.100 -0.001 0.000 1.030 1110 T CB 1.259 70.121 68.868 -0.010 0.000 0.912 1110 T HN 0.949 nan 8.240 nan 0.000 0.483 1111 T N 0.480 115.039 114.554 0.008 0.000 3.009 1111 T HA 0.502 4.852 4.350 0.000 0.000 0.258 1111 T C 0.699 175.407 174.700 0.013 0.000 1.063 1111 T CA 0.269 62.380 62.100 0.020 0.000 1.139 1111 T CB 0.179 69.064 68.868 0.028 0.000 0.890 1111 T HN 0.774 nan 8.240 nan 0.000 0.471 1112 A N -0.064 122.754 122.820 -0.003 0.000 2.586 1112 A HA 0.680 5.000 4.320 0.000 0.000 0.291 1112 A C -1.076 176.487 177.584 -0.034 0.000 1.062 1112 A CA -0.845 51.185 52.037 -0.011 0.000 0.666 1112 A CB 1.199 20.191 19.000 -0.013 0.000 1.281 1112 A HN 0.218 nan 8.150 nan 0.000 0.421 1113 S N -0.498 115.179 115.700 -0.038 0.000 2.542 1113 S HA 0.623 5.093 4.470 0.000 0.000 0.293 1113 S C -0.506 174.036 174.600 -0.096 0.000 1.089 1113 S CA -0.566 57.589 58.200 -0.074 0.000 0.961 1113 S CB 1.763 64.928 63.200 -0.058 0.000 1.062 1113 S HN 0.918 nan 8.310 nan 0.000 0.483 1114 V N 2.929 122.731 119.914 -0.186 0.000 2.508 1114 V HA 0.202 4.322 4.120 0.000 0.000 0.281 1114 V C 0.511 176.519 176.094 -0.143 0.000 1.041 1114 V CA -0.098 62.056 62.300 -0.242 0.000 1.016 1114 V CB 0.122 31.592 31.823 -0.589 0.000 0.984 1114 V HN 0.690 nan 8.190 nan 0.000 0.478 1115 R N 5.559 126.029 120.500 -0.050 0.000 2.612 1115 R HA 0.304 4.644 4.340 0.000 0.000 0.273 1115 R C -0.029 176.307 176.300 0.060 0.000 1.376 1115 R CA -0.077 56.033 56.100 0.016 0.000 1.171 1115 R CB 0.001 30.336 30.300 0.057 0.000 1.151 1115 R HN 0.657 nan 8.270 nan 0.000 0.560 1116 L N 2.369 123.632 121.223 0.067 0.000 2.984 1116 L HA 0.159 4.499 4.340 0.000 0.000 0.246 1116 L C 0.146 177.103 176.870 0.144 0.000 1.268 1116 L CA -0.329 54.619 54.840 0.180 0.000 1.054 1116 L CB -0.608 41.597 42.059 0.242 0.000 1.393 1116 L HN 0.529 nan 8.230 nan 0.000 0.532 1117 D N -1.353 119.105 120.400 0.097 0.000 2.621 1117 D HA 0.356 4.996 4.640 0.000 0.000 0.255 1117 D C 0.719 177.064 176.300 0.075 0.000 1.122 1117 D CA -0.351 53.691 54.000 0.069 0.000 1.096 1117 D CB 1.824 42.647 40.800 0.038 0.000 1.282 1117 D HN -0.074 nan 8.370 nan 0.000 0.619 1118 G N -1.288 107.535 108.800 0.039 0.000 2.747 1118 G HA2 0.258 4.218 3.960 0.000 0.000 0.202 1118 G HA3 0.258 4.218 3.960 0.000 0.000 0.202 1118 G C 1.271 176.136 174.900 -0.058 0.000 1.090 1118 G CA 0.587 45.705 45.100 0.030 0.000 0.779 1118 G HN 0.616 nan 8.290 nan 0.000 0.535 1119 A N 1.852 124.598 122.820 -0.122 0.000 1.972 1119 A HA -0.026 4.295 4.320 0.000 0.000 0.219 1119 A C 2.679 180.327 177.584 0.107 0.000 1.169 1119 A CA 2.487 54.415 52.037 -0.182 0.000 0.635 1119 A CB -0.711 18.259 19.000 -0.051 0.000 0.810 1119 A HN 0.752 nan 8.150 nan 0.000 0.446 1120 S N 0.318 116.102 115.700 0.140 0.000 2.383 1120 S HA -0.137 4.333 4.470 0.000 0.000 0.229 1120 S C 1.729 176.472 174.600 0.237 0.000 1.030 1120 S CA 1.532 59.859 58.200 0.212 0.000 1.002 1120 S CB -0.801 62.473 63.200 0.123 0.000 0.829 1120 S HN 0.463 nan 8.310 nan 0.000 0.467 1121 L N 0.760 122.100 121.223 0.194 0.000 2.362 1121 L HA -0.016 4.324 4.340 0.000 0.000 0.219 1121 L C 2.287 179.261 176.870 0.174 0.000 1.134 1121 L CA 1.095 56.043 54.840 0.181 0.000 0.807 1121 L CB -0.709 41.459 42.059 0.182 0.000 0.927 1121 L HN 0.511 nan 8.230 nan 0.000 0.447 1122 H N -1.870 117.150 119.070 -0.083 0.000 2.547 1122 H HA 0.028 4.584 4.556 0.000 0.000 0.266 1122 H C 1.228 176.182 175.328 -0.624 0.000 0.988 1122 H CA 0.444 56.292 56.048 -0.334 0.000 1.147 1122 H CB 0.437 29.946 29.762 -0.421 0.000 1.365 1122 H HN 0.343 nan 8.280 nan 0.000 0.589 1123 F N -0.353 119.617 119.950 0.033 0.000 2.699 1123 F HA 0.433 4.961 4.527 0.001 0.000 0.295 1123 F C 0.789 176.492 175.800 -0.162 0.000 1.052 1123 F CA -0.014 57.943 58.000 -0.072 0.000 1.239 1123 F CB 1.100 40.040 39.000 -0.101 0.000 1.018 1123 F HN -0.036 nan 8.300 nan 0.000 0.627 1124 A N 0.426 123.255 122.820 0.015 0.000 2.589 1124 A HA 0.595 4.915 4.320 0.000 0.000 0.296 1124 A C -2.811 174.791 177.584 0.031 0.000 1.062 1124 A CA -1.357 50.622 52.037 -0.095 0.000 0.686 1124 A CB 0.595 19.329 19.000 -0.445 0.000 1.282 1124 A HN -0.170 nan 8.150 nan 0.000 0.404 1125 P HA 0.094 nan 4.420 nan 0.000 0.270 1125 P C 0.841 178.223 177.300 0.136 0.000 1.223 1125 P CA -0.172 62.980 63.100 0.087 0.000 0.785 1125 P CB 0.452 32.200 31.700 0.079 0.000 0.923 1126 M N 1.533 121.201 119.600 0.113 0.000 2.260 1126 M HA -0.197 4.283 4.480 0.000 0.000 0.261 1126 M C 1.456 177.834 176.300 0.129 0.000 1.066 1126 M CA 1.934 57.306 55.300 0.119 0.000 1.082 1126 M CB -1.271 31.384 32.600 0.092 0.000 1.388 1126 M HN 0.306 nan 8.290 nan 0.000 0.419 1127 E N -0.878 119.396 120.200 0.125 0.000 2.204 1127 E HA -0.076 4.274 4.350 0.000 0.000 0.195 1127 E C 0.267 176.940 176.600 0.123 0.000 0.990 1127 E CA 0.536 56.999 56.400 0.104 0.000 0.821 1127 E CB -0.474 29.279 29.700 0.088 0.000 0.750 1127 E HN 0.496 nan 8.360 nan 0.000 0.477 1128 F N 2.344 122.316 119.950 0.036 0.000 2.484 1128 F HA 0.166 4.693 4.527 0.001 0.000 0.360 1128 F C -1.978 173.840 175.800 0.030 0.000 1.101 1128 F CA -2.707 55.314 58.000 0.035 0.000 1.251 1128 F CB 0.596 39.623 39.000 0.045 0.000 1.132 1128 F HN -0.126 nan 8.300 nan 0.000 0.570 1129 P HA 0.183 nan 4.420 nan 0.000 0.286 1129 P C -1.353 175.987 177.300 0.067 0.000 1.269 1129 P CA -0.438 62.594 63.100 -0.113 0.000 0.787 1129 P CB 1.351 32.915 31.700 -0.226 0.000 0.920 1130 A N 4.171 127.050 122.820 0.099 0.000 3.037 1130 A HA 0.263 4.583 4.320 0.000 0.000 0.272 1130 A C 0.284 177.900 177.584 0.053 0.000 1.723 1130 A CA -0.349 51.754 52.037 0.110 0.000 1.413 1130 A CB -0.907 18.131 19.000 0.064 0.000 1.112 1130 A HN 0.474 nan 8.150 nan 0.000 0.606 1131 V N 1.669 121.616 119.914 0.055 0.000 2.539 1131 V HA 0.699 4.819 4.120 0.000 0.000 0.292 1131 V C 0.644 176.768 176.094 0.050 0.000 1.045 1131 V CA -0.176 62.141 62.300 0.028 0.000 0.945 1131 V CB 1.435 33.251 31.823 -0.012 0.000 0.993 1131 V HN 0.888 nan 8.190 nan 0.000 0.464 1132 A N 4.163 127.009 122.820 0.043 0.000 2.304 1132 A HA 0.432 4.752 4.320 0.000 0.000 0.271 1132 A C -0.011 177.617 177.584 0.073 0.000 1.091 1132 A CA -0.276 51.791 52.037 0.049 0.000 0.812 1132 A CB 0.268 19.288 19.000 0.033 0.000 1.056 1132 A HN 1.028 nan 8.150 nan 0.000 0.489 1133 D N 0.069 120.515 120.400 0.076 0.000 2.424 1133 D HA 0.126 4.766 4.640 0.000 0.000 0.244 1133 D C 0.682 177.049 176.300 0.113 0.000 1.134 1133 D CA -0.109 53.952 54.000 0.101 0.000 0.881 1133 D CB 0.190 41.041 40.800 0.086 0.000 1.191 1133 D HN 0.374 nan 8.370 nan 0.000 0.445 1134 F N 4.036 123.995 119.950 0.016 0.000 2.102 1134 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 1134 F C 2.034 177.840 175.800 0.011 0.000 1.105 1134 F CA 1.803 59.809 58.000 0.010 0.000 1.239 1134 F CB -0.509 38.496 39.000 0.007 0.000 0.991 1134 F HN 0.497 nan 8.300 nan 0.000 0.474 1135 A N -0.478 122.307 122.820 -0.058 0.000 1.902 1135 A HA -0.222 4.099 4.320 0.000 0.000 0.217 1135 A C 2.384 179.865 177.584 -0.171 0.000 1.181 1135 A CA 1.859 53.804 52.037 -0.154 0.000 0.623 1135 A CB -1.670 17.331 19.000 0.000 0.000 0.818 1135 A HN 0.573 nan 8.150 nan 0.000 0.443 1136 C N -1.191 118.057 119.300 -0.087 0.000 2.432 1136 C HA -0.074 4.386 4.460 0.000 0.000 0.277 1136 C C 3.048 177.978 174.990 -0.101 0.000 1.249 1136 C CA 1.517 60.495 59.018 -0.066 0.000 1.725 1136 C CB -1.533 26.201 27.740 -0.010 0.000 2.028 1136 C HN 0.648 nan 8.230 nan 0.000 0.477 1137 T N 0.539 115.019 114.554 -0.123 0.000 2.746 1137 T HA -0.164 4.186 4.350 0.000 0.000 0.267 1137 T C 1.803 176.388 174.700 -0.193 0.000 1.039 1137 T CA 2.152 64.178 62.100 -0.124 0.000 1.142 1137 T CB -0.519 68.296 68.868 -0.088 0.000 0.866 1137 T HN 0.591 nan 8.240 nan 0.000 0.444 1138 T N 1.982 116.321 114.554 -0.358 0.000 2.708 1138 T HA -0.052 4.298 4.350 0.000 0.000 0.266 1138 T C 2.400 176.981 174.700 -0.199 0.000 1.037 1138 T CA 1.234 63.116 62.100 -0.363 0.000 1.146 1138 T CB -0.569 67.944 68.868 -0.592 0.000 0.865 1138 T HN 0.440 nan 8.240 nan 0.000 0.435 1139 A N 1.026 123.745 122.820 -0.168 0.000 1.933 1139 A HA 0.009 4.329 4.320 0.000 0.000 0.218 1139 A C 2.300 179.836 177.584 -0.081 0.000 1.175 1139 A CA 1.211 53.185 52.037 -0.105 0.000 0.628 1139 A CB -0.801 18.149 19.000 -0.084 0.000 0.814 1139 A HN 0.480 nan 8.150 nan 0.000 0.444 1140 L N -0.755 120.421 121.223 -0.078 0.000 2.056 1140 L HA -0.136 4.205 4.340 0.000 0.000 0.207 1140 L C 2.522 179.360 176.870 -0.053 0.000 1.078 1140 L CA 0.942 55.749 54.840 -0.055 0.000 0.749 1140 L CB -0.524 41.509 42.059 -0.043 0.000 0.901 1140 L HN 0.239 nan 8.230 nan 0.000 0.433 1141 V N -0.139 119.737 119.914 -0.065 0.000 2.295 1141 V HA -0.264 3.857 4.120 0.000 0.000 0.246 1141 V C 2.365 178.429 176.094 -0.050 0.000 1.049 1141 V CA 1.787 64.055 62.300 -0.053 0.000 1.024 1141 V CB -0.453 31.335 31.823 -0.058 0.000 0.648 1141 V HN 0.448 nan 8.190 nan 0.000 0.447 1142 E N 0.290 120.454 120.200 -0.061 0.000 2.077 1142 E HA -0.188 4.163 4.350 0.000 0.000 0.193 1142 E C 2.317 178.890 176.600 -0.046 0.000 0.989 1142 E CA 1.309 57.679 56.400 -0.051 0.000 0.800 1142 E CB -0.342 29.324 29.700 -0.057 0.000 0.746 1142 E HN 0.594 nan 8.360 nan 0.000 0.452 1143 A N 1.417 124.208 122.820 -0.050 0.000 1.972 1143 A HA -0.083 4.238 4.320 0.000 0.000 0.219 1143 A C 2.376 179.930 177.584 -0.050 0.000 1.169 1143 A CA 1.506 53.513 52.037 -0.050 0.000 0.635 1143 A CB -0.537 18.432 19.000 -0.051 0.000 0.810 1143 A HN 0.288 nan 8.150 nan 0.000 0.446 1144 A N -0.294 122.501 122.820 -0.042 0.000 1.933 1144 A HA -0.159 4.162 4.320 0.000 0.000 0.218 1144 A C 2.120 179.687 177.584 -0.028 0.000 1.175 1144 A CA 1.743 53.761 52.037 -0.031 0.000 0.628 1144 A CB -0.344 18.642 19.000 -0.023 0.000 0.814 1144 A HN 0.490 nan 8.150 nan 0.000 0.444 1145 K N -0.295 120.087 120.400 -0.030 0.000 2.228 1145 K HA 0.006 4.326 4.320 0.000 0.000 0.202 1145 K C 2.178 178.762 176.600 -0.027 0.000 1.051 1145 K CA 1.099 57.371 56.287 -0.024 0.000 0.960 1145 K CB -0.068 32.418 32.500 -0.023 0.000 0.743 1145 K HN 0.443 nan 8.250 nan 0.000 0.458 1146 S N 1.202 116.880 115.700 -0.036 0.000 2.402 1146 S HA -0.076 4.395 4.470 0.000 0.000 0.229 1146 S C 1.809 176.379 174.600 -0.049 0.000 1.021 1146 S CA 0.922 59.098 58.200 -0.039 0.000 0.974 1146 S CB -0.049 63.126 63.200 -0.042 0.000 0.800 1146 S HN 0.114 nan 8.310 nan 0.000 0.484 1147 I N 0.491 121.020 120.570 -0.068 0.000 2.584 1147 I HA 0.156 4.326 4.170 0.000 0.000 0.255 1147 I C 1.735 177.816 176.117 -0.061 0.000 1.145 1147 I CA 0.709 61.942 61.300 -0.112 0.000 1.462 1147 I CB -0.630 37.247 38.000 -0.206 0.000 1.102 1147 I HN 0.397 nan 8.210 nan 0.000 0.433 1148 G N 0.489 109.282 108.800 -0.012 0.000 2.164 1148 G HA2 -0.052 3.909 3.960 0.000 0.000 0.212 1148 G HA3 -0.052 3.909 3.960 0.000 0.000 0.212 1148 G C 0.358 175.318 174.900 0.100 0.000 1.031 1148 G CA -0.048 45.072 45.100 0.034 0.000 0.730 1148 G HN 0.649 nan 8.290 nan 0.000 0.501 1149 A N -0.368 122.520 122.820 0.114 0.000 2.271 1149 A HA 0.823 5.143 4.320 0.000 0.000 0.288 1149 A C 0.714 178.306 177.584 0.013 0.000 1.094 1149 A CA 0.481 52.605 52.037 0.144 0.000 0.828 1149 A CB 0.656 19.799 19.000 0.239 0.000 1.091 1149 A HN 0.772 nan 8.150 nan 0.000 0.493 1150 T N 2.432 116.964 114.554 -0.037 0.000 2.723 1150 T HA 0.443 4.793 4.350 0.000 0.000 0.297 1150 T C -0.024 174.551 174.700 -0.209 0.000 0.925 1150 T CA 0.304 62.333 62.100 -0.117 0.000 1.030 1150 T CB -0.073 68.736 68.868 -0.099 0.000 0.905 1150 T HN 0.633 nan 8.240 nan 0.000 0.502 1151 T N 4.178 118.577 114.554 -0.258 0.000 2.888 1151 T HA 0.433 4.784 4.350 0.000 0.000 0.284 1151 T C -0.522 173.917 174.700 -0.435 0.000 1.017 1151 T CA -0.826 61.120 62.100 -0.258 0.000 1.022 1151 T CB 0.945 69.752 68.868 -0.102 0.000 1.013 1151 T HN 0.504 nan 8.240 nan 0.000 0.465 1152 H N 0.741 119.817 119.070 0.009 0.000 2.609 1152 H HA 0.520 5.076 4.556 0.001 0.000 0.344 1152 H C -1.067 174.268 175.328 0.010 0.000 1.040 1152 H CA -0.495 55.564 56.048 0.018 0.000 1.216 1152 H CB 1.733 31.495 29.762 -0.001 0.000 1.529 1152 H HN 0.270 nan 8.280 nan 0.000 0.519 1153 V N 2.653 122.639 119.914 0.121 0.000 2.409 1153 V HA 0.725 4.845 4.120 0.000 0.000 0.291 1153 V C 0.564 176.698 176.094 0.067 0.000 1.020 1153 V CA -0.189 62.152 62.300 0.068 0.000 0.848 1153 V CB 1.355 33.203 31.823 0.043 0.000 0.990 1153 V HN 1.066 nan 8.190 nan 0.000 0.430 1154 G N 3.276 112.102 108.800 0.043 0.000 2.364 1154 G HA2 0.426 4.387 3.960 0.000 0.000 0.286 1154 G HA3 0.426 4.387 3.960 0.000 0.000 0.286 1154 G C -1.406 173.494 174.900 0.000 0.000 1.241 1154 G CA -0.442 44.674 45.100 0.028 0.000 0.887 1154 G HN 0.471 nan 8.290 nan 0.000 0.484 1155 V N 0.784 120.688 119.914 -0.017 0.000 2.607 1155 V HA 0.634 4.754 4.120 0.000 0.000 0.289 1155 V C 0.281 176.320 176.094 -0.092 0.000 1.053 1155 V CA -0.035 62.234 62.300 -0.052 0.000 0.996 1155 V CB 1.312 33.101 31.823 -0.057 0.000 0.995 1155 V HN 0.756 nan 8.190 nan 0.000 0.476 1156 T N 3.377 117.862 114.554 -0.114 0.000 2.863 1156 T HA 0.651 5.001 4.350 0.000 0.000 0.285 1156 T C -0.129 174.438 174.700 -0.220 0.000 1.009 1156 T CA -0.304 61.706 62.100 -0.149 0.000 0.989 1156 T CB 1.671 70.485 68.868 -0.090 0.000 1.004 1156 T HN 0.905 nan 8.240 nan 0.000 0.455 1157 A N 2.172 124.805 122.820 -0.313 0.000 2.269 1157 A HA 0.605 4.926 4.320 0.000 0.000 0.302 1157 A C 0.382 177.895 177.584 -0.118 0.000 1.266 1157 A CA -0.436 51.373 52.037 -0.380 0.000 0.894 1157 A CB 0.328 18.907 19.000 -0.701 0.000 1.147 1157 A HN 0.625 nan 8.150 nan 0.000 0.537 1158 S N 2.225 117.868 115.700 -0.095 0.000 2.423 1158 S HA 0.472 4.942 4.470 0.000 0.000 0.317 1158 S C 0.110 174.712 174.600 0.003 0.000 1.065 1158 S CA -0.292 57.893 58.200 -0.024 0.000 1.111 1158 S CB 0.183 63.365 63.200 -0.029 0.000 0.968 1158 S HN 0.909 nan 8.310 nan 0.000 0.474 1159 S N 3.224 118.929 115.700 0.007 0.000 2.525 1159 S HA 0.342 4.812 4.470 0.000 0.000 0.290 1159 S C 0.507 175.083 174.600 -0.040 0.000 1.152 1159 S CA -0.631 57.550 58.200 -0.032 0.000 1.072 1159 S CB 1.121 64.232 63.200 -0.148 0.000 1.027 1159 S HN 0.708 nan 8.310 nan 0.000 0.500 1160 D N 1.809 122.194 120.400 -0.025 0.000 2.363 1160 D HA 0.113 4.753 4.640 0.000 0.000 0.220 1160 D C 0.693 176.979 176.300 -0.023 0.000 0.994 1160 D CA 0.792 54.787 54.000 -0.008 0.000 0.890 1160 D CB 0.205 41.020 40.800 0.024 0.000 0.906 1160 D HN 0.718 nan 8.370 nan 0.000 0.530 1161 T N -3.982 110.523 114.554 -0.082 0.000 2.906 1161 T HA 0.295 4.646 4.350 0.000 0.000 0.295 1161 T C 0.386 175.019 174.700 -0.111 0.000 1.075 1161 T CA -0.877 61.190 62.100 -0.056 0.000 1.005 1161 T CB 1.211 70.039 68.868 -0.066 0.000 1.136 1161 T HN -0.124 nan 8.240 nan 0.000 0.498 1162 F N -0.019 119.796 119.950 -0.225 0.000 2.473 1162 F HA 0.251 4.779 4.527 0.000 0.000 0.294 1162 F C 0.895 176.340 175.800 -0.592 0.000 1.103 1162 F CA 0.496 58.240 58.000 -0.425 0.000 1.442 1162 F CB -0.011 38.687 39.000 -0.502 0.000 1.097 1162 F HN 0.679 nan 8.300 nan 0.000 0.547 1163 Y N 0.893 121.165 120.300 -0.048 0.000 2.344 1163 Y HA 0.162 4.712 4.550 0.001 0.000 0.261 1163 Y C -0.413 175.315 175.900 -0.288 0.000 1.080 1163 Y CA 0.476 58.495 58.100 -0.136 0.000 1.151 1163 Y CB -1.947 36.516 38.460 0.005 0.000 1.059 1163 Y HN -0.228 nan 8.280 nan 0.000 0.490 1164 P HA -0.117 nan 4.420 nan 0.000 0.217 1164 P C 1.478 178.479 177.300 -0.499 0.000 1.150 1164 P CA 2.225 65.188 63.100 -0.228 0.000 0.832 1164 P CB -0.212 31.427 31.700 -0.103 0.000 0.787 1165 G N -0.170 108.215 108.800 -0.692 0.000 2.509 1165 G HA2 -0.195 3.766 3.960 0.000 0.000 0.218 1165 G HA3 -0.195 3.766 3.960 0.000 0.000 0.218 1165 G C 1.368 175.772 174.900 -0.827 0.000 1.124 1165 G CA 0.278 44.651 45.100 -1.213 0.000 0.776 1165 G HN 0.385 nan 8.290 nan 0.000 0.547 1166 Q N -0.538 118.801 119.800 -0.769 0.000 2.175 1166 Q HA 0.199 4.539 4.340 0.000 0.000 0.225 1166 Q C -0.093 175.551 176.000 -0.592 0.000 0.837 1166 Q CA -0.308 54.805 55.803 -1.150 0.000 1.032 1166 Q CB 0.474 28.427 28.738 -1.309 0.000 1.137 1166 Q HN 0.601 nan 8.270 nan 0.000 0.483 1167 E N 1.738 121.722 120.200 -0.359 0.000 2.183 1167 E HA -0.250 4.100 4.350 0.000 0.000 0.196 1167 E C -0.943 175.485 176.600 -0.286 0.000 1.364 1167 E CA 0.226 56.474 56.400 -0.253 0.000 0.700 1167 E CB -0.270 29.429 29.700 -0.001 0.000 1.106 1167 E HN 0.307 nan 8.360 nan 0.000 0.347 1168 R N 0.359 120.676 120.500 -0.306 0.000 2.312 1168 R HA 0.233 4.573 4.340 0.000 0.000 0.311 1168 R C 0.106 176.299 176.300 -0.178 0.000 1.004 1168 R CA -0.300 55.724 56.100 -0.127 0.000 0.902 1168 R CB 0.595 30.883 30.300 -0.020 0.000 1.073 1168 R HN 0.237 nan 8.270 nan 0.000 0.457 1169 Y N 0.014 120.352 120.300 0.064 0.000 2.442 1169 Y HA -0.002 4.548 4.550 0.000 0.000 0.250 1169 Y C 0.655 176.585 175.900 0.050 0.000 1.113 1169 Y CA -0.292 57.839 58.100 0.051 0.000 1.273 1169 Y CB 0.571 39.050 38.460 0.032 0.000 1.138 1169 Y HN 0.534 nan 8.280 nan 0.000 0.522 1170 D N 1.614 122.135 120.400 0.202 0.000 2.671 1170 D HA 0.034 4.674 4.640 0.000 0.000 0.228 1170 D C 0.211 176.571 176.300 0.100 0.000 1.102 1170 D CA 0.314 54.401 54.000 0.145 0.000 1.044 1170 D CB -0.285 40.607 40.800 0.153 0.000 1.113 1170 D HN 0.244 nan 8.370 nan 0.000 0.480 1171 T N -3.460 111.122 114.554 0.047 0.000 2.831 1171 T HA 0.204 4.555 4.350 0.000 0.000 0.287 1171 T C 0.824 175.522 174.700 -0.004 0.000 1.070 1171 T CA -0.974 61.100 62.100 -0.043 0.000 1.010 1171 T CB 1.156 69.974 68.868 -0.084 0.000 1.264 1171 T HN 0.110 nan 8.240 nan 0.000 0.532 1172 Y N 1.478 121.709 120.300 -0.116 0.000 2.128 1172 Y HA -0.148 4.403 4.550 0.000 0.000 0.284 1172 Y C 2.710 178.590 175.900 -0.034 0.000 1.154 1172 Y CA 2.731 60.789 58.100 -0.071 0.000 1.149 1172 Y CB -0.313 38.096 38.460 -0.086 0.000 0.976 1172 Y HN 0.747 nan 8.280 nan 0.000 0.505 1173 S N -1.081 114.537 115.700 -0.136 0.000 2.458 1173 S HA 0.156 4.626 4.470 0.000 0.000 0.223 1173 S C 1.869 176.412 174.600 -0.095 0.000 1.019 1173 S CA 0.586 58.675 58.200 -0.186 0.000 0.937 1173 S CB -0.446 62.750 63.200 -0.006 0.000 0.788 1173 S HN 0.998 nan 8.310 nan 0.000 0.511 1174 G N 2.123 110.911 108.800 -0.020 0.000 2.166 1174 G HA2 -0.333 3.627 3.960 0.000 0.000 0.260 1174 G HA3 -0.333 3.627 3.960 0.000 0.000 0.260 1174 G C 0.046 175.043 174.900 0.160 0.000 0.986 1174 G CA 0.540 45.681 45.100 0.069 0.000 0.683 1174 G HN 1.026 nan 8.290 nan 0.000 0.527 1175 R N -1.432 119.127 120.500 0.098 0.000 2.832 1175 R HA 0.822 5.162 4.340 0.000 0.000 0.271 1175 R C -1.143 175.185 176.300 0.046 0.000 0.996 1175 R CA -1.000 55.178 56.100 0.131 0.000 0.977 1175 R CB 2.222 32.572 30.300 0.082 0.000 1.168 1175 R HN 0.265 nan 8.270 nan 0.000 0.482 1176 V N 2.636 122.590 119.914 0.066 0.000 2.525 1176 V HA 0.212 4.332 4.120 0.000 0.000 0.299 1176 V C 0.002 176.154 176.094 0.096 0.000 1.034 1176 V CA -1.026 61.267 62.300 -0.012 0.000 0.863 1176 V CB 1.694 33.390 31.823 -0.212 0.000 0.999 1176 V HN 0.704 nan 8.190 nan 0.000 0.423 1177 V N 6.043 126.029 119.914 0.120 0.000 3.061 1177 V HA -0.000 4.120 4.120 0.000 0.000 0.306 1177 V C 1.924 178.080 176.094 0.104 0.000 1.118 1177 V CA 0.990 63.361 62.300 0.119 0.000 1.231 1177 V CB 0.811 32.720 31.823 0.143 0.000 0.956 1177 V HN 0.993 nan 8.190 nan 0.000 0.499 1178 R N 3.672 124.206 120.500 0.055 0.000 2.134 1178 R HA -0.249 4.092 4.340 0.000 0.000 0.248 1178 R C 2.318 178.598 176.300 -0.034 0.000 1.143 1178 R CA 2.667 58.778 56.100 0.019 0.000 0.957 1178 R CB -0.407 29.894 30.300 0.002 0.000 0.867 1178 R HN 0.842 nan 8.270 nan 0.000 0.441 1179 R N -0.675 119.762 120.500 -0.105 0.000 2.117 1179 R HA -0.176 4.164 4.340 0.000 0.000 0.243 1179 R C 1.381 177.419 176.300 -0.438 0.000 1.143 1179 R CA 2.053 57.966 56.100 -0.311 0.000 0.968 1179 R CB -0.198 29.818 30.300 -0.474 0.000 0.863 1179 R HN 0.341 nan 8.270 nan 0.000 0.444 1180 F N 0.122 120.090 119.950 0.029 0.000 2.695 1180 F HA 0.270 4.797 4.527 0.000 0.000 0.303 1180 F C 0.490 176.294 175.800 0.006 0.000 1.091 1180 F CA -0.383 57.633 58.000 0.026 0.000 1.300 1180 F CB 0.449 39.467 39.000 0.030 0.000 1.071 1180 F HN -0.266 nan 8.300 nan 0.000 0.578 1181 K N 0.709 121.194 120.400 0.142 0.000 2.416 1181 K HA 0.237 4.557 4.320 0.000 0.000 0.283 1181 K C 1.146 177.796 176.600 0.084 0.000 1.037 1181 K CA 0.828 57.204 56.287 0.149 0.000 0.995 1181 K CB 0.315 32.890 32.500 0.124 0.000 0.938 1181 K HN 0.352 nan 8.250 nan 0.000 0.475 1182 G N 2.019 110.887 108.800 0.114 0.000 2.155 1182 G HA2 -0.343 3.618 3.960 0.000 0.000 0.257 1182 G HA3 -0.343 3.618 3.960 0.000 0.000 0.257 1182 G C 0.861 175.727 174.900 -0.058 0.000 0.983 1182 G CA 0.913 46.034 45.100 0.034 0.000 0.676 1182 G HN 0.705 nan 8.290 nan 0.000 0.528 1183 S N -0.830 114.843 115.700 -0.046 0.000 2.406 1183 S HA 0.065 4.536 4.470 0.000 0.000 0.228 1183 S C 2.248 176.651 174.600 -0.328 0.000 1.020 1183 S CA 1.536 59.572 58.200 -0.273 0.000 0.965 1183 S CB -0.249 62.954 63.200 0.005 0.000 0.798 1183 S HN 0.654 nan 8.310 nan 0.000 0.488 1184 M N 1.591 121.235 119.600 0.073 0.000 2.117 1184 M HA -0.108 4.372 4.480 0.000 0.000 0.262 1184 M C 2.365 178.709 176.300 0.073 0.000 1.065 1184 M CA 2.069 57.505 55.300 0.227 0.000 1.114 1184 M CB -0.260 32.522 32.600 0.303 0.000 1.361 1184 M HN 0.523 nan 8.290 nan 0.000 0.408 1185 E N 0.041 120.247 120.200 0.010 0.000 2.110 1185 E HA -0.234 4.116 4.350 0.000 0.000 0.193 1185 E C 1.622 178.187 176.600 -0.058 0.000 0.988 1185 E CA 1.627 58.022 56.400 -0.007 0.000 0.804 1185 E CB -0.004 29.689 29.700 -0.010 0.000 0.745 1185 E HN 0.654 nan 8.360 nan 0.000 0.458 1186 E N -0.278 119.809 120.200 -0.188 0.000 2.047 1186 E HA -0.182 4.168 4.350 0.000 0.000 0.191 1186 E C 1.857 178.387 176.600 -0.117 0.000 0.987 1186 E CA 1.381 57.628 56.400 -0.255 0.000 0.799 1186 E CB -0.259 29.131 29.700 -0.517 0.000 0.752 1186 E HN 0.473 nan 8.360 nan 0.000 0.449 1187 W N 1.517 122.822 121.300 0.009 0.000 2.363 1187 W HA -0.176 4.484 4.660 0.000 0.000 0.296 1187 W C 2.495 178.980 176.519 -0.056 0.000 1.212 1187 W CA 0.251 57.572 57.345 -0.040 0.000 1.260 1187 W CB -0.121 29.274 29.460 -0.109 0.000 1.131 1187 W HN 0.114 nan 8.180 nan 0.000 0.530 1188 Q N 0.383 120.280 119.800 0.163 0.000 2.061 1188 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 1188 Q C 2.500 178.542 176.000 0.070 0.000 0.984 1188 Q CA 1.794 57.648 55.803 0.084 0.000 0.846 1188 Q CB -0.657 28.116 28.738 0.058 0.000 0.902 1188 Q HN 0.319 nan 8.270 nan 0.000 0.421 1189 A N 0.485 123.338 122.820 0.055 0.000 2.019 1189 A HA -0.119 4.201 4.320 0.000 0.000 0.219 1189 A C 1.818 179.435 177.584 0.055 0.000 1.164 1189 A CA 1.150 53.210 52.037 0.038 0.000 0.644 1189 A CB -0.333 18.674 19.000 0.012 0.000 0.805 1189 A HN 0.310 nan 8.150 nan 0.000 0.449 1190 M N -1.264 118.394 119.600 0.096 0.000 2.563 1190 M HA 0.186 4.666 4.480 0.000 0.000 0.231 1190 M C 1.293 177.645 176.300 0.086 0.000 1.136 1190 M CA 0.696 56.062 55.300 0.109 0.000 1.026 1190 M CB 0.263 32.980 32.600 0.195 0.000 1.597 1190 M HN 0.594 nan 8.290 nan 0.000 0.495 1191 G N 0.674 109.517 108.800 0.072 0.000 2.159 1191 G HA2 -0.211 3.749 3.960 0.000 0.000 0.256 1191 G HA3 -0.211 3.749 3.960 0.000 0.000 0.256 1191 G C 0.094 175.013 174.900 0.031 0.000 0.977 1191 G CA -0.159 44.972 45.100 0.053 0.000 0.652 1191 G HN 0.322 nan 8.290 nan 0.000 0.531 1192 V N 1.847 121.777 119.914 0.027 0.000 2.599 1192 V HA 0.171 4.291 4.120 0.000 0.000 0.300 1192 V C 1.887 177.930 176.094 -0.085 0.000 1.034 1192 V CA 1.157 63.423 62.300 -0.056 0.000 1.115 1192 V CB 1.134 32.889 31.823 -0.112 0.000 0.934 1192 V HN 0.407 nan 8.190 nan 0.000 0.485 1193 M N 3.249 122.785 119.600 -0.106 0.000 2.236 1193 M HA 0.077 4.558 4.480 0.000 0.000 0.266 1193 M C 0.754 176.962 176.300 -0.153 0.000 1.070 1193 M CA 1.153 56.381 55.300 -0.121 0.000 1.137 1193 M CB -0.075 32.469 32.600 -0.092 0.000 1.378 1193 M HN 0.963 nan 8.290 nan 0.000 0.426 1194 N N -1.846 116.742 118.700 -0.186 0.000 3.308 1194 N HA 0.188 4.928 4.740 0.000 0.000 0.276 1194 N C -1.910 173.452 175.510 -0.246 0.000 1.533 1194 N CA -0.669 52.276 53.050 -0.175 0.000 0.878 1194 N CB 1.274 39.713 38.487 -0.080 0.000 1.566 1194 N HN -0.082 nan 8.380 nan 0.000 0.546 1195 Y N -0.507 119.735 120.300 -0.098 0.000 2.446 1195 Y HA 0.525 5.075 4.550 0.001 0.000 0.345 1195 Y C -0.003 175.831 175.900 -0.110 0.000 0.984 1195 Y CA -0.197 57.828 58.100 -0.126 0.000 1.058 1195 Y CB 1.797 40.161 38.460 -0.161 0.000 1.220 1195 Y HN 0.820 nan 8.280 nan 0.000 0.455 1196 E N -0.053 120.200 120.200 0.088 0.000 2.425 1196 E HA 0.513 4.863 4.350 0.000 0.000 0.272 1196 E C -1.274 175.337 176.600 0.018 0.000 1.061 1196 E CA -0.773 55.647 56.400 0.034 0.000 0.877 1196 E CB 1.158 30.870 29.700 0.020 0.000 1.590 1196 E HN 0.463 nan 8.360 nan 0.000 0.462 1197 M N -0.315 119.294 119.600 0.015 0.000 2.504 1197 M HA 0.362 4.842 4.480 0.000 0.000 0.370 1197 M C -0.259 176.043 176.300 0.003 0.000 1.110 1197 M CA 0.119 55.423 55.300 0.006 0.000 0.938 1197 M CB 0.684 33.293 32.600 0.014 0.000 1.460 1197 M HN 0.512 nan 8.290 nan 0.000 0.535 1198 E N -0.601 119.599 120.200 0.001 0.000 2.535 1198 E HA 0.067 4.417 4.350 0.000 0.000 0.216 1198 E C 1.843 178.432 176.600 -0.018 0.000 0.845 1198 E CA 0.624 57.021 56.400 -0.006 0.000 1.306 1198 E CB 0.338 30.038 29.700 0.000 0.000 1.291 1198 E HN 0.320 nan 8.360 nan 0.000 0.635 1199 S N 1.029 116.720 115.700 -0.015 0.000 2.368 1199 S HA -0.151 4.319 4.470 0.000 0.000 0.225 1199 S C 2.238 176.823 174.600 -0.024 0.000 1.030 1199 S CA 1.100 59.287 58.200 -0.021 0.000 0.999 1199 S CB -0.375 62.814 63.200 -0.019 0.000 0.844 1199 S HN 0.232 nan 8.310 nan 0.000 0.459 1200 A N 1.771 124.580 122.820 -0.018 0.000 1.883 1200 A HA -0.073 4.247 4.320 0.000 0.000 0.217 1200 A C 2.471 180.051 177.584 -0.006 0.000 1.186 1200 A CA 2.304 54.338 52.037 -0.004 0.000 0.624 1200 A CB -1.752 17.252 19.000 0.006 0.000 0.822 1200 A HN 0.594 nan 8.150 nan 0.000 0.444 1201 T N -0.084 114.458 114.554 -0.021 0.000 2.701 1201 T HA -0.110 4.240 4.350 0.000 0.000 0.263 1201 T C 1.880 176.492 174.700 -0.147 0.000 1.040 1201 T CA 1.452 63.523 62.100 -0.048 0.000 1.147 1201 T CB -0.457 68.393 68.868 -0.031 0.000 0.865 1201 T HN 0.343 nan 8.240 nan 0.000 0.426 1202 L N 1.238 122.381 121.223 -0.134 0.000 1.971 1202 L HA -0.062 4.278 4.340 0.000 0.000 0.215 1202 L C 2.216 178.984 176.870 -0.171 0.000 1.072 1202 L CA 1.766 56.494 54.840 -0.187 0.000 0.758 1202 L CB -0.808 41.180 42.059 -0.118 0.000 0.889 1202 L HN 0.255 nan 8.230 nan 0.000 0.433 1203 L N -1.332 119.842 121.223 -0.082 0.000 2.046 1203 L HA -0.198 4.143 4.340 0.000 0.000 0.208 1203 L C 2.366 179.231 176.870 -0.008 0.000 1.077 1203 L CA 1.759 56.581 54.840 -0.030 0.000 0.747 1203 L CB -1.230 40.834 42.059 0.008 0.000 0.896 1203 L HN 0.323 nan 8.230 nan 0.000 0.432 1204 T N 0.613 115.161 114.554 -0.011 0.000 2.737 1204 T HA -0.199 4.151 4.350 0.000 0.000 0.265 1204 T C 1.864 176.470 174.700 -0.156 0.000 1.038 1204 T CA 1.858 63.974 62.100 0.026 0.000 1.144 1204 T CB -0.239 68.667 68.868 0.063 0.000 0.866 1204 T HN 0.448 nan 8.240 nan 0.000 0.434 1205 M N 0.115 119.484 119.600 -0.384 0.000 2.296 1205 M HA -0.002 4.478 4.480 0.000 0.000 0.265 1205 M C 2.175 178.208 176.300 -0.445 0.000 1.064 1205 M CA 1.446 56.283 55.300 -0.772 0.000 1.109 1205 M CB -1.017 30.651 32.600 -1.554 0.000 1.396 1205 M HN 0.176 nan 8.290 nan 0.000 0.430 1206 C N 1.213 120.339 119.300 -0.290 0.000 2.522 1206 C HA 0.229 4.690 4.460 0.000 0.000 0.280 1206 C C 3.281 178.255 174.990 -0.027 0.000 1.303 1206 C CA 0.866 59.791 59.018 -0.155 0.000 1.709 1206 C CB -0.995 26.677 27.740 -0.114 0.000 2.071 1206 C HN 0.757 nan 8.230 nan 0.000 0.492 1207 A N 1.146 123.990 122.820 0.040 0.000 1.972 1207 A HA -0.138 4.182 4.320 0.000 0.000 0.219 1207 A C 2.123 179.826 177.584 0.198 0.000 1.169 1207 A CA 2.166 54.308 52.037 0.174 0.000 0.635 1207 A CB -0.621 18.568 19.000 0.315 0.000 0.810 1207 A HN 0.711 nan 8.150 nan 0.000 0.446 1208 S N -1.785 113.906 115.700 -0.015 0.000 2.605 1208 S HA 0.177 4.647 4.470 0.000 0.000 0.217 1208 S C 0.828 175.391 174.600 -0.062 0.000 0.958 1208 S CA 0.222 58.315 58.200 -0.179 0.000 0.919 1208 S CB 0.059 62.906 63.200 -0.588 0.000 0.780 1208 S HN 0.641 nan 8.310 nan 0.000 0.507 1209 Q N 0.254 120.043 119.800 -0.019 0.000 2.055 1209 Q HA 0.340 4.680 4.340 0.000 0.000 0.226 1209 Q C 0.611 176.632 176.000 0.034 0.000 0.805 1209 Q CA 0.020 55.827 55.803 0.007 0.000 1.072 1209 Q CB 1.043 29.776 28.738 -0.009 0.000 1.219 1209 Q HN 0.615 nan 8.270 nan 0.000 0.451 1210 G N 1.461 110.292 108.800 0.052 0.000 2.160 1210 G HA2 -0.273 3.688 3.960 0.000 0.000 0.251 1210 G HA3 -0.273 3.688 3.960 0.000 0.000 0.251 1210 G C -0.099 174.847 174.900 0.076 0.000 1.008 1210 G CA 0.248 45.387 45.100 0.064 0.000 0.724 1210 G HN 0.271 nan 8.290 nan 0.000 0.514 1211 L N -0.590 120.682 121.223 0.081 0.000 2.334 1211 L HA 0.658 4.998 4.340 0.000 0.000 0.273 1211 L C 0.897 177.849 176.870 0.136 0.000 1.013 1211 L CA -1.178 53.743 54.840 0.135 0.000 0.816 1211 L CB 1.472 43.630 42.059 0.165 0.000 1.278 1211 L HN 0.050 nan 8.230 nan 0.000 0.431 1212 R N 1.605 122.204 120.500 0.165 0.000 2.368 1212 R HA 0.786 5.126 4.340 0.000 0.000 0.302 1212 R C -0.758 175.653 176.300 0.185 0.000 1.002 1212 R CA -0.524 55.657 56.100 0.134 0.000 0.929 1212 R CB 1.702 32.055 30.300 0.089 0.000 1.073 1212 R HN 0.716 nan 8.270 nan 0.000 0.464 1213 A N 1.277 124.172 122.820 0.126 0.000 2.486 1213 A HA 0.771 5.091 4.320 0.000 0.000 0.300 1213 A C -0.836 176.789 177.584 0.070 0.000 1.048 1213 A CA -0.623 51.487 52.037 0.123 0.000 0.696 1213 A CB 2.204 21.247 19.000 0.072 0.000 1.278 1213 A HN 0.769 nan 8.150 nan 0.000 0.405 1214 G N -0.212 108.625 108.800 0.062 0.000 2.605 1214 G HA2 0.709 4.669 3.960 0.000 0.000 0.296 1214 G HA3 0.709 4.669 3.960 0.000 0.000 0.296 1214 G C -1.122 173.794 174.900 0.027 0.000 1.304 1214 G CA -0.522 44.595 45.100 0.029 0.000 0.941 1214 G HN 1.301 nan 8.290 nan 0.000 0.475 1215 M N 1.562 121.169 119.600 0.013 0.000 2.271 1215 M HA 0.711 5.192 4.480 0.000 0.000 0.285 1215 M C -1.884 174.420 176.300 0.006 0.000 1.059 1215 M CA -0.717 54.590 55.300 0.011 0.000 0.940 1215 M CB 2.179 34.783 32.600 0.006 0.000 1.636 1215 M HN 0.738 nan 8.290 nan 0.000 0.460 1216 V N 4.193 124.111 119.914 0.007 0.000 2.841 1216 V HA 1.050 5.170 4.120 0.000 0.000 0.310 1216 V C -1.662 174.439 176.094 0.012 0.000 1.090 1216 V CA 0.195 62.499 62.300 0.007 0.000 0.930 1216 V CB 1.959 33.783 31.823 0.002 0.000 1.014 1216 V HN 1.229 nan 8.190 nan 0.000 0.425 1217 A N 3.729 126.559 122.820 0.016 0.000 2.572 1217 A HA 0.928 5.248 4.320 0.000 0.000 0.295 1217 A C -0.271 177.328 177.584 0.026 0.000 1.072 1217 A CA -0.180 51.868 52.037 0.018 0.000 0.691 1217 A CB 1.845 20.854 19.000 0.015 0.000 1.291 1217 A HN 1.658 nan 8.150 nan 0.000 0.404 1218 G N -0.185 108.631 108.800 0.026 0.000 2.348 1218 G HA2 0.529 4.490 3.960 0.000 0.000 0.312 1218 G HA3 0.529 4.490 3.960 0.000 0.000 0.312 1218 G C -0.659 174.252 174.900 0.019 0.000 1.126 1218 G CA -0.370 44.747 45.100 0.029 0.000 0.865 1218 G HN 0.916 nan 8.290 nan 0.000 0.474 1219 V N 3.863 123.785 119.914 0.014 0.000 2.405 1219 V HA 0.109 4.229 4.120 0.000 0.000 0.264 1219 V C 1.296 177.390 176.094 0.001 0.000 1.048 1219 V CA -0.078 62.225 62.300 0.005 0.000 0.966 1219 V CB 0.539 32.362 31.823 0.001 0.000 1.015 1219 V HN 0.757 nan 8.190 nan 0.000 0.477 1220 I N 3.322 123.896 120.570 0.006 0.000 4.018 1220 I HA 0.546 4.716 4.170 0.000 0.000 0.337 1220 I C 0.186 176.309 176.117 0.009 0.000 1.327 1220 I CA 0.223 61.527 61.300 0.007 0.000 1.100 1220 I CB 0.924 38.932 38.000 0.013 0.000 1.025 1220 I HN 0.427 nan 8.210 nan 0.000 0.396 1221 V N 0.906 120.825 119.914 0.007 0.000 3.236 1221 V HA 0.428 4.548 4.120 0.000 0.000 0.287 1221 V C -2.048 174.046 176.094 0.001 0.000 1.491 1221 V CA -0.630 61.675 62.300 0.009 0.000 1.037 1221 V CB 2.342 34.178 31.823 0.022 0.000 1.160 1221 V HN 0.381 nan 8.190 nan 0.000 0.453 1222 N N 3.875 122.576 118.700 0.001 0.000 2.399 1222 N HA 0.435 5.175 4.740 0.000 0.000 0.284 1222 N C 0.540 176.055 175.510 0.008 0.000 1.025 1222 N CA -0.626 52.420 53.050 -0.006 0.000 0.885 1222 N CB 2.085 40.561 38.487 -0.018 0.000 1.339 1222 N HN 0.650 nan 8.380 nan 0.000 0.487 1223 R N 0.793 121.303 120.500 0.017 0.000 2.241 1223 R HA -0.055 4.285 4.340 0.000 0.000 0.224 1223 R C 1.374 177.695 176.300 0.035 0.000 1.101 1223 R CA 1.288 57.408 56.100 0.034 0.000 0.995 1223 R CB -0.558 29.780 30.300 0.063 0.000 0.870 1223 R HN 0.710 nan 8.270 nan 0.000 0.463 1224 T N -3.399 111.169 114.554 0.023 0.000 3.044 1224 T HA 0.105 4.455 4.350 0.000 0.000 0.250 1224 T C 0.816 175.527 174.700 0.019 0.000 1.081 1224 T CA -0.051 62.063 62.100 0.024 0.000 1.040 1224 T CB 0.430 69.308 68.868 0.018 0.000 0.962 1224 T HN 0.078 nan 8.240 nan 0.000 0.506 1225 Q N 0.575 120.384 119.800 0.014 0.000 2.214 1225 Q HA 0.419 4.760 4.340 0.000 0.000 0.251 1225 Q C 0.956 176.966 176.000 0.016 0.000 0.936 1225 Q CA -0.581 55.230 55.803 0.013 0.000 0.894 1225 Q CB 1.692 30.434 28.738 0.007 0.000 1.252 1225 Q HN 0.294 nan 8.270 nan 0.000 0.448 1226 Q N 0.577 120.386 119.800 0.015 0.000 2.096 1226 Q HA -0.060 4.281 4.340 0.000 0.000 0.197 1226 Q C -0.302 175.708 176.000 0.016 0.000 0.964 1226 Q CA 0.949 56.762 55.803 0.017 0.000 0.838 1226 Q CB 0.336 29.082 28.738 0.014 0.000 0.906 1226 Q HN 0.541 nan 8.270 nan 0.000 0.444 1227 E N 0.642 120.850 120.200 0.013 0.000 2.343 1227 E HA 0.339 4.689 4.350 0.000 0.000 0.269 1227 E C -0.818 175.789 176.600 0.013 0.000 1.047 1227 E CA -0.112 56.296 56.400 0.012 0.000 0.874 1227 E CB 1.171 30.877 29.700 0.009 0.000 1.033 1227 E HN 0.110 nan 8.360 nan 0.000 0.409 1228 I N 3.995 124.573 120.570 0.014 0.000 2.465 1228 I HA 0.272 4.442 4.170 0.000 0.000 0.291 1228 I C -1.956 174.168 176.117 0.011 0.000 1.014 1228 I CA -2.369 58.940 61.300 0.015 0.000 1.093 1228 I CB 1.595 39.608 38.000 0.021 0.000 1.267 1228 I HN 0.392 nan 8.210 nan 0.000 0.431 1229 P HA -0.023 nan 4.420 nan 0.000 0.266 1229 P C -0.595 176.709 177.300 0.006 0.000 1.186 1229 P CA -0.102 63.001 63.100 0.004 0.000 0.767 1229 P CB 0.210 31.911 31.700 0.001 0.000 0.820 1230 N N 1.342 120.044 118.700 0.004 0.000 2.240 1230 N HA -0.073 4.667 4.740 0.000 0.000 0.250 1230 N C 1.344 176.856 175.510 0.004 0.000 1.316 1230 N CA 0.380 53.432 53.050 0.004 0.000 0.894 1230 N CB -0.770 37.718 38.487 0.002 0.000 1.101 1230 N HN 0.434 nan 8.380 nan 0.000 0.491 1231 A N -0.479 122.343 122.820 0.003 0.000 2.001 1231 A HA -0.289 4.031 4.320 0.000 0.000 0.224 1231 A C 0.975 178.559 177.584 0.000 0.000 1.203 1231 A CA 2.447 54.484 52.037 0.002 0.000 0.667 1231 A CB -1.284 17.716 19.000 0.000 0.000 0.823 1231 A HN 0.891 nan 8.150 nan 0.000 0.473 1232 E N -0.226 119.974 120.200 -0.000 0.000 2.490 1232 E HA 0.348 4.698 4.350 0.000 0.000 0.232 1232 E C 0.620 177.219 176.600 -0.001 0.000 1.091 1232 E CA 0.222 56.621 56.400 -0.002 0.000 1.050 1232 E CB -0.103 29.596 29.700 -0.003 0.000 1.342 1232 E HN 0.420 nan 8.360 nan 0.000 0.454 1233 T N 0.064 114.619 114.554 0.002 0.000 2.737 1233 T HA -0.219 4.131 4.350 0.000 0.000 0.265 1233 T C 1.603 176.304 174.700 0.001 0.000 1.038 1233 T CA 0.990 63.092 62.100 0.003 0.000 1.144 1233 T CB -0.133 68.740 68.868 0.009 0.000 0.866 1233 T HN 0.375 nan 8.240 nan 0.000 0.434 1234 M N 0.402 120.003 119.600 0.002 0.000 2.153 1234 M HA 0.067 4.548 4.480 0.000 0.000 0.257 1234 M C 2.236 178.538 176.300 0.003 0.000 1.107 1234 M CA 1.206 56.508 55.300 0.003 0.000 1.109 1234 M CB -0.096 32.504 32.600 0.000 0.000 1.240 1234 M HN -0.037 nan 8.290 nan 0.000 0.436 1235 K N 0.413 120.813 120.400 -0.001 0.000 2.200 1235 K HA -0.368 3.952 4.320 0.000 0.000 0.206 1235 K C 1.683 178.289 176.600 0.011 0.000 0.782 1235 K CA 2.622 58.910 56.287 0.001 0.000 1.047 1235 K CB -1.524 30.975 32.500 -0.002 0.000 0.989 1235 K HN 0.606 nan 8.250 nan 0.000 0.595 1236 Q N -0.593 119.214 119.800 0.011 0.000 2.050 1236 Q HA -0.094 4.247 4.340 0.000 0.000 0.202 1236 Q C 2.241 178.264 176.000 0.037 0.000 0.980 1236 Q CA 1.995 57.813 55.803 0.024 0.000 0.840 1236 Q CB -0.195 28.546 28.738 0.005 0.000 0.898 1236 Q HN 0.483 nan 8.270 nan 0.000 0.424 1237 T N 1.004 115.562 114.554 0.007 0.000 2.777 1237 T HA -0.179 4.171 4.350 0.000 0.000 0.266 1237 T C 1.679 176.413 174.700 0.056 0.000 1.040 1237 T CA 1.367 63.471 62.100 0.006 0.000 1.141 1237 T CB -0.199 68.661 68.868 -0.013 0.000 0.868 1237 T HN 0.387 nan 8.240 nan 0.000 0.444 1238 E N 1.051 121.271 120.200 0.034 0.000 2.049 1238 E HA -0.176 4.174 4.350 0.000 0.000 0.198 1238 E C 2.275 178.897 176.600 0.036 0.000 1.007 1238 E CA 1.545 57.962 56.400 0.027 0.000 0.809 1238 E CB -0.165 29.541 29.700 0.009 0.000 0.749 1238 E HN 0.353 nan 8.360 nan 0.000 0.450 1239 S N -0.381 115.343 115.700 0.041 0.000 2.383 1239 S HA -0.194 4.277 4.470 0.000 0.000 0.229 1239 S C 1.685 176.312 174.600 0.045 0.000 1.030 1239 S CA 1.433 59.651 58.200 0.031 0.000 1.002 1239 S CB -0.489 62.731 63.200 0.033 0.000 0.829 1239 S HN 0.410 nan 8.310 nan 0.000 0.467 1240 H N 1.425 120.484 119.070 -0.019 0.000 2.293 1240 H HA 0.032 4.588 4.556 0.000 0.000 0.300 1240 H C 2.290 177.606 175.328 -0.020 0.000 1.082 1240 H CA 1.695 57.732 56.048 -0.019 0.000 1.308 1240 H CB -0.546 29.207 29.762 -0.016 0.000 1.375 1240 H HN 0.367 nan 8.280 nan 0.000 0.495 1241 A N -0.254 122.630 122.820 0.106 0.000 1.933 1241 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1241 A C 2.641 180.225 177.584 0.001 0.000 1.175 1241 A CA 1.731 53.794 52.037 0.043 0.000 0.628 1241 A CB -0.832 18.192 19.000 0.040 0.000 0.814 1241 A HN 0.291 nan 8.150 nan 0.000 0.444 1242 V N 0.263 120.174 119.914 -0.006 0.000 2.358 1242 V HA -0.231 3.890 4.120 0.000 0.000 0.246 1242 V C 2.554 178.621 176.094 -0.045 0.000 1.047 1242 V CA 2.382 64.666 62.300 -0.026 0.000 1.035 1242 V CB -0.622 31.182 31.823 -0.031 0.000 0.658 1242 V HN 0.667 nan 8.190 nan 0.000 0.452 1243 K N 0.705 121.067 120.400 -0.064 0.000 2.097 1243 K HA -0.108 4.212 4.320 0.000 0.000 0.206 1243 K C 1.782 178.330 176.600 -0.086 0.000 1.049 1243 K CA 1.694 57.928 56.287 -0.088 0.000 0.933 1243 K CB -0.466 31.950 32.500 -0.139 0.000 0.717 1243 K HN 0.468 nan 8.250 nan 0.000 0.442 1244 I N -0.394 120.127 120.570 -0.082 0.000 2.286 1244 I HA -0.194 3.976 4.170 0.000 0.000 0.245 1244 I C 2.159 178.249 176.117 -0.046 0.000 1.104 1244 I CA 0.750 62.011 61.300 -0.065 0.000 1.397 1244 I CB -0.196 37.775 38.000 -0.049 0.000 1.072 1244 I HN 0.027 nan 8.210 nan 0.000 0.417 1245 V N 0.409 120.302 119.914 -0.035 0.000 2.515 1245 V HA -0.185 3.936 4.120 0.000 0.000 0.250 1245 V C 2.321 178.396 176.094 -0.032 0.000 1.058 1245 V CA 1.568 63.852 62.300 -0.027 0.000 1.064 1245 V CB 0.188 32.002 31.823 -0.016 0.000 0.675 1245 V HN 0.201 nan 8.190 nan 0.000 0.461 1246 V N 0.051 119.942 119.914 -0.038 0.000 2.323 1246 V HA -0.167 3.953 4.120 0.000 0.000 0.244 1246 V C 2.533 178.603 176.094 -0.040 0.000 1.041 1246 V CA 2.146 64.423 62.300 -0.038 0.000 1.025 1246 V CB -0.630 31.167 31.823 -0.042 0.000 0.656 1246 V HN 0.657 nan 8.190 nan 0.000 0.451 1247 E N 0.965 121.137 120.200 -0.046 0.000 2.110 1247 E HA -0.178 4.172 4.350 0.000 0.000 0.193 1247 E C 2.065 178.639 176.600 -0.043 0.000 0.988 1247 E CA 1.691 58.063 56.400 -0.046 0.000 0.804 1247 E CB -0.433 29.234 29.700 -0.055 0.000 0.745 1247 E HN 0.514 nan 8.360 nan 0.000 0.458 1248 A N 0.733 123.527 122.820 -0.043 0.000 1.898 1248 A HA 0.033 4.353 4.320 0.000 0.000 0.216 1248 A C 2.460 180.020 177.584 -0.041 0.000 1.181 1248 A CA 1.866 53.877 52.037 -0.044 0.000 0.620 1248 A CB -1.011 17.963 19.000 -0.042 0.000 0.819 1248 A HN 0.377 nan 8.150 nan 0.000 0.442 1249 A N 0.169 122.967 122.820 -0.036 0.000 1.940 1249 A HA -0.221 4.099 4.320 0.000 0.000 0.219 1249 A C 2.182 179.746 177.584 -0.035 0.000 1.176 1249 A CA 1.650 53.665 52.037 -0.036 0.000 0.631 1249 A CB -0.531 18.449 19.000 -0.033 0.000 0.814 1249 A HN 0.585 nan 8.150 nan 0.000 0.446 1250 R N -0.671 119.810 120.500 -0.033 0.000 2.127 1250 R HA -0.140 4.200 4.340 0.000 0.000 0.238 1250 R C 2.047 178.330 176.300 -0.029 0.000 1.134 1250 R CA 1.679 57.761 56.100 -0.029 0.000 0.975 1250 R CB -0.283 30.000 30.300 -0.029 0.000 0.865 1250 R HN 0.522 nan 8.270 nan 0.000 0.447 1251 R N 0.234 120.715 120.500 -0.033 0.000 2.299 1251 R HA 0.085 4.425 4.340 0.000 0.000 0.197 1251 R C 1.256 177.537 176.300 -0.031 0.000 0.971 1251 R CA 0.466 56.547 56.100 -0.032 0.000 1.030 1251 R CB 0.220 30.496 30.300 -0.040 0.000 0.932 1251 R HN 0.187 nan 8.270 nan 0.000 0.477 1252 L N 0.456 121.660 121.223 -0.033 0.000 2.728 1252 L HA 0.254 4.594 4.340 0.000 0.000 0.238 1252 L C 0.247 177.100 176.870 -0.029 0.000 1.143 1252 L CA -0.203 54.618 54.840 -0.031 0.000 0.937 1252 L CB 0.174 42.212 42.059 -0.035 0.000 1.225 1252 L HN 0.035 nan 8.230 nan 0.000 0.507 1253 L N 0.000 121.207 121.223 -0.027 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.824 54.840 -0.026 0.000 0.813 1253 L CB 0.000 42.044 42.059 -0.024 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502