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 2hn9_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 0.000 176.261 176.300 -0.066 0.000 1.140 1001 M CA 0.000 55.252 55.300 -0.080 0.000 0.988 1001 M CB 0.000 32.573 32.600 -0.045 0.000 1.302 1002 S N -0.323 115.335 115.700 -0.071 0.000 2.422 1002 S HA 0.419 4.897 4.470 0.014 0.000 0.226 1002 S C 0.090 174.673 174.600 -0.028 0.000 1.242 1002 S CA -0.632 57.543 58.200 -0.042 0.000 1.231 1002 S CB 0.448 63.627 63.200 -0.036 0.000 1.067 1002 S HN 0.380 nan 8.310 nan 0.000 0.462 1003 K N 0.477 120.861 120.400 -0.027 0.000 4.215 1003 K HA -0.113 4.215 4.320 0.014 0.000 0.318 1003 K C -0.765 175.821 176.600 -0.024 0.000 1.077 1003 K CA 0.543 56.819 56.287 -0.019 0.000 0.979 1003 K CB -1.754 30.739 32.500 -0.011 0.000 1.497 1003 K HN 0.708 nan 8.250 nan 0.000 0.436 1004 S N 0.544 116.224 115.700 -0.034 0.000 2.572 1004 S HA 0.406 4.885 4.470 0.014 0.000 0.274 1004 S C 0.278 174.865 174.600 -0.021 0.000 1.150 1004 S CA -0.694 57.483 58.200 -0.038 0.000 0.944 1004 S CB 1.226 64.373 63.200 -0.090 0.000 1.071 1004 S HN 0.219 nan 8.310 nan 0.000 0.479 1005 D N 1.763 122.160 120.400 -0.005 0.000 2.347 1005 D HA 0.100 4.748 4.640 0.014 0.000 0.213 1005 D C 0.928 177.242 176.300 0.022 0.000 0.985 1005 D CA 1.033 55.039 54.000 0.009 0.000 0.879 1005 D CB 0.299 41.107 40.800 0.014 0.000 0.919 1005 D HN 0.479 nan 8.370 nan 0.000 0.526 1006 V N -2.889 117.035 119.914 0.016 0.000 3.001 1006 V HA 0.387 4.515 4.120 0.014 0.000 0.314 1006 V C 0.826 176.942 176.094 0.036 0.000 1.099 1006 V CA -1.039 61.289 62.300 0.047 0.000 0.989 1006 V CB 1.719 33.568 31.823 0.044 0.000 1.040 1006 V HN -0.161 nan 8.190 nan 0.000 0.434 1007 F N 1.012 120.914 119.950 -0.080 0.000 2.163 1007 F HA 0.055 4.591 4.527 0.014 0.000 0.297 1007 F C 1.998 177.618 175.800 -0.299 0.000 1.094 1007 F CA 2.508 60.388 58.000 -0.201 0.000 1.290 1007 F CB -0.036 38.810 39.000 -0.257 0.000 1.017 1007 F HN 0.831 nan 8.300 nan 0.000 0.483 1008 H N -1.186 117.848 119.070 -0.061 0.000 2.460 1008 H HA 0.205 4.769 4.556 0.014 0.000 0.297 1008 H C 2.102 177.338 175.328 -0.154 0.000 1.023 1008 H CA 1.139 57.103 56.048 -0.140 0.000 1.321 1008 H CB -0.208 29.470 29.762 -0.142 0.000 1.455 1008 H HN 0.120 nan 8.280 nan 0.000 0.539 1009 L N -0.399 120.803 121.223 -0.035 0.000 2.217 1009 L HA 0.096 4.444 4.340 0.014 0.000 0.211 1009 L C 1.137 178.083 176.870 0.127 0.000 1.107 1009 L CA 0.768 55.626 54.840 0.030 0.000 0.783 1009 L CB -0.357 41.692 42.059 -0.016 0.000 0.919 1009 L HN 0.555 nan 8.230 nan 0.000 0.442 1010 G N 1.191 109.963 108.800 -0.045 0.000 2.256 1010 G HA2 -0.258 3.710 3.960 0.014 0.000 0.272 1010 G HA3 -0.258 3.710 3.960 0.014 0.000 0.272 1010 G C -0.250 174.683 174.900 0.055 0.000 1.076 1010 G CA -0.020 45.045 45.100 -0.058 0.000 0.882 1010 G HN 0.230 nan 8.290 nan 0.000 0.497 1011 L N -0.001 121.237 121.223 0.025 0.000 2.370 1011 L HA 0.846 5.194 4.340 0.014 0.000 0.266 1011 L C 0.721 177.599 176.870 0.013 0.000 1.002 1011 L CA -0.540 54.317 54.840 0.029 0.000 0.818 1011 L CB 2.459 44.542 42.059 0.041 0.000 1.325 1011 L HN 0.389 nan 8.230 nan 0.000 0.418 1012 T N -3.064 111.497 114.554 0.010 0.000 2.942 1012 T HA 0.388 4.746 4.350 0.014 0.000 0.289 1012 T C 0.612 175.317 174.700 0.008 0.000 1.044 1012 T CA -0.903 61.201 62.100 0.007 0.000 1.023 1012 T CB 1.935 70.803 68.868 0.001 0.000 1.123 1012 T HN 0.526 nan 8.240 nan 0.000 0.512 1013 K N 0.375 120.780 120.400 0.008 0.000 2.147 1013 K HA -0.124 4.204 4.320 0.014 0.000 0.205 1013 K C 1.987 178.589 176.600 0.002 0.000 1.049 1013 K CA 1.379 57.670 56.287 0.007 0.000 0.936 1013 K CB -0.314 32.190 32.500 0.007 0.000 0.722 1013 K HN 0.599 nan 8.250 nan 0.000 0.446 1014 N N 1.569 120.269 118.700 0.001 0.000 2.223 1014 N HA -0.155 4.593 4.740 0.014 0.000 0.185 1014 N C 1.216 176.724 175.510 -0.004 0.000 1.016 1014 N CA 1.298 54.347 53.050 -0.003 0.000 0.863 1014 N CB 0.005 38.489 38.487 -0.004 0.000 0.983 1014 N HN 0.067 nan 8.380 nan 0.000 0.429 1015 D N -0.294 120.104 120.400 -0.003 0.000 2.182 1015 D HA -0.119 4.529 4.640 0.014 0.000 0.201 1015 D C 1.597 177.896 176.300 -0.002 0.000 0.986 1015 D CA 0.679 54.675 54.000 -0.006 0.000 0.847 1015 D CB -0.070 40.730 40.800 -0.001 0.000 0.942 1015 D HN 0.280 nan 8.370 nan 0.000 0.467 1016 L N 0.377 121.601 121.223 0.001 0.000 2.240 1016 L HA -0.022 4.327 4.340 0.014 0.000 0.211 1016 L C 0.835 177.703 176.870 -0.003 0.000 1.106 1016 L CA 0.634 55.474 54.840 0.001 0.000 0.793 1016 L CB -0.291 41.767 42.059 -0.002 0.000 0.927 1016 L HN -0.053 nan 8.230 nan 0.000 0.446 1017 Q N -0.099 119.699 119.800 -0.003 0.000 2.453 1017 Q HA -0.260 4.089 4.340 0.014 0.000 0.294 1017 Q C 1.195 177.192 176.000 -0.006 0.000 1.295 1017 Q CA 0.935 56.735 55.803 -0.004 0.000 0.853 1017 Q CB -2.209 26.527 28.738 -0.003 0.000 1.193 1017 Q HN 0.689 nan 8.270 nan 0.000 0.461 1018 G N -1.957 106.839 108.800 -0.008 0.000 2.159 1018 G HA2 -0.271 3.697 3.960 0.014 0.000 0.256 1018 G HA3 -0.271 3.697 3.960 0.014 0.000 0.256 1018 G C 0.359 175.249 174.900 -0.018 0.000 0.977 1018 G CA 0.423 45.517 45.100 -0.010 0.000 0.652 1018 G HN 1.258 nan 8.290 nan 0.000 0.531 1019 A N -0.377 122.431 122.820 -0.020 0.000 2.540 1019 A HA 0.569 4.897 4.320 0.014 0.000 0.239 1019 A C 1.021 178.573 177.584 -0.054 0.000 1.061 1019 A CA 1.404 53.421 52.037 -0.034 0.000 0.758 1019 A CB 0.220 19.203 19.000 -0.029 0.000 0.991 1019 A HN 0.595 nan 8.150 nan 0.000 0.502 1020 Q N 0.804 120.560 119.800 -0.073 0.000 2.140 1020 Q HA 0.334 4.682 4.340 0.014 0.000 0.227 1020 Q C -0.561 175.337 176.000 -0.170 0.000 0.798 1020 Q CA -0.025 55.717 55.803 -0.101 0.000 0.987 1020 Q CB 0.768 29.466 28.738 -0.066 0.000 1.161 1020 Q HN 0.731 nan 8.270 nan 0.000 0.480 1021 L N 0.623 121.748 121.223 -0.163 0.000 2.365 1021 L HA 0.834 5.183 4.340 0.014 0.000 0.273 1021 L C -1.684 175.062 176.870 -0.207 0.000 1.000 1021 L CA -0.688 54.028 54.840 -0.208 0.000 0.819 1021 L CB 1.705 43.691 42.059 -0.122 0.000 1.284 1021 L HN -0.073 nan 8.230 nan 0.000 0.418 1022 A N 5.567 128.213 122.820 -0.290 0.000 2.371 1022 A HA 0.702 5.030 4.320 0.014 0.000 0.311 1022 A C -1.014 176.543 177.584 -0.045 0.000 1.068 1022 A CA -0.620 51.324 52.037 -0.154 0.000 0.744 1022 A CB 1.125 20.025 19.000 -0.167 0.000 1.239 1022 A HN 0.513 nan 8.150 nan 0.000 0.435 1023 I N 3.267 123.842 120.570 0.008 0.000 2.342 1023 I HA 0.307 4.485 4.170 0.014 0.000 0.291 1023 I C 0.107 176.270 176.117 0.077 0.000 1.010 1023 I CA -0.319 61.002 61.300 0.036 0.000 1.308 1023 I CB 1.060 39.069 38.000 0.015 0.000 1.400 1023 I HN 0.474 nan 8.210 nan 0.000 0.488 1024 V N 6.082 126.056 119.914 0.100 0.000 2.266 1024 V HA 0.477 4.605 4.120 0.014 0.000 0.266 1024 V C -2.481 173.661 176.094 0.080 0.000 1.036 1024 V CA -1.655 60.717 62.300 0.119 0.000 0.828 1024 V CB 0.674 32.604 31.823 0.179 0.000 1.081 1024 V HN 0.492 nan 8.190 nan 0.000 0.449 1025 P HA 0.307 nan 4.420 nan 0.000 0.276 1025 P C 0.969 178.293 177.300 0.040 0.000 1.261 1025 P CA 0.333 63.455 63.100 0.036 0.000 0.800 1025 P CB 1.744 33.453 31.700 0.015 0.000 1.066 1026 G N -0.374 108.439 108.800 0.022 0.000 2.411 1026 G HA2 -0.064 3.904 3.960 0.014 0.000 0.213 1026 G HA3 -0.064 3.904 3.960 0.014 0.000 0.213 1026 G C 0.249 175.144 174.900 -0.007 0.000 1.166 1026 G CA 0.411 45.518 45.100 0.011 0.000 0.802 1026 G HN 0.506 nan 8.290 nan 0.000 0.533 1027 D N 0.373 120.766 120.400 -0.012 0.000 2.295 1027 D HA 0.300 4.948 4.640 0.014 0.000 0.248 1027 D C -1.372 174.918 176.300 -0.016 0.000 1.154 1027 D CA -2.440 51.545 54.000 -0.025 0.000 0.857 1027 D CB 1.930 42.713 40.800 -0.028 0.000 1.117 1027 D HN -0.075 nan 8.370 nan 0.000 0.468 1028 P HA -0.139 nan 4.420 nan 0.000 0.217 1028 P C 0.564 177.868 177.300 0.007 0.000 1.148 1028 P CA 1.202 64.306 63.100 0.007 0.000 0.828 1028 P CB 0.274 31.968 31.700 -0.010 0.000 0.783 1029 E N -1.127 119.064 120.200 -0.015 0.000 2.347 1029 E HA -0.089 4.269 4.350 0.014 0.000 0.196 1029 E C 2.093 178.660 176.600 -0.056 0.000 1.008 1029 E CA 0.288 56.673 56.400 -0.025 0.000 0.852 1029 E CB -0.250 29.434 29.700 -0.025 0.000 0.783 1029 E HN 0.175 nan 8.360 nan 0.000 0.505 1030 R N 0.623 121.089 120.500 -0.057 0.000 2.246 1030 R HA -0.008 4.341 4.340 0.014 0.000 0.199 1030 R C 1.829 178.053 176.300 -0.127 0.000 0.984 1030 R CA 0.192 56.245 56.100 -0.079 0.000 1.015 1030 R CB 0.261 30.532 30.300 -0.050 0.000 0.930 1030 R HN 0.035 nan 8.270 nan 0.000 0.475 1031 V N 1.112 120.950 119.914 -0.126 0.000 2.287 1031 V HA -0.271 3.857 4.120 0.014 0.000 0.248 1031 V C 2.218 178.010 176.094 -0.504 0.000 1.053 1031 V CA 2.247 64.435 62.300 -0.187 0.000 1.027 1031 V CB -0.495 31.308 31.823 -0.034 0.000 0.646 1031 V HN 0.448 nan 8.190 nan 0.000 0.447 1032 E N 0.033 119.822 120.200 -0.684 0.000 2.110 1032 E HA -0.230 4.128 4.350 0.014 0.000 0.193 1032 E C 2.249 178.480 176.600 -0.614 0.000 0.988 1032 E CA 1.057 56.810 56.400 -1.080 0.000 0.804 1032 E CB 0.039 29.308 29.700 -0.719 0.000 0.745 1032 E HN 0.510 nan 8.360 nan 0.000 0.458 1033 K N 0.251 120.442 120.400 -0.349 0.000 2.057 1033 K HA -0.126 4.202 4.320 0.014 0.000 0.207 1033 K C 2.233 178.720 176.600 -0.188 0.000 1.049 1033 K CA 1.068 57.226 56.287 -0.216 0.000 0.931 1033 K CB -0.244 32.173 32.500 -0.138 0.000 0.714 1033 K HN 0.313 nan 8.250 nan 0.000 0.440 1034 I N 1.221 121.679 120.570 -0.188 0.000 2.286 1034 I HA -0.202 3.976 4.170 0.014 0.000 0.245 1034 I C 2.522 178.559 176.117 -0.134 0.000 1.104 1034 I CA 0.961 62.184 61.300 -0.130 0.000 1.397 1034 I CB -0.398 37.547 38.000 -0.093 0.000 1.072 1034 I HN 0.048 nan 8.210 nan 0.000 0.417 1035 A N 0.763 123.459 122.820 -0.207 0.000 2.019 1035 A HA -0.122 4.206 4.320 0.014 0.000 0.219 1035 A C 2.450 179.963 177.584 -0.117 0.000 1.164 1035 A CA 1.640 53.590 52.037 -0.144 0.000 0.644 1035 A CB -0.711 18.177 19.000 -0.187 0.000 0.805 1035 A HN 0.432 nan 8.150 nan 0.000 0.449 1036 A N -1.092 121.619 122.820 -0.181 0.000 2.172 1036 A HA 0.135 4.463 4.320 0.014 0.000 0.216 1036 A C 1.637 179.183 177.584 -0.064 0.000 1.154 1036 A CA 1.111 53.079 52.037 -0.115 0.000 0.701 1036 A CB -0.351 18.565 19.000 -0.140 0.000 0.789 1036 A HN 0.383 nan 8.150 nan 0.000 0.465 1037 L N -1.057 120.128 121.223 -0.063 0.000 2.591 1037 L HA 0.259 4.607 4.340 0.014 0.000 0.228 1037 L C 0.934 177.787 176.870 -0.027 0.000 1.133 1037 L CA 0.671 55.485 54.840 -0.042 0.000 0.880 1037 L CB -0.334 41.697 42.059 -0.046 0.000 1.033 1037 L HN 0.383 nan 8.230 nan 0.000 0.450 1038 M N -1.996 117.593 119.600 -0.019 0.000 2.821 1038 M HA 0.290 4.779 4.480 0.014 0.000 0.294 1038 M C -0.683 175.625 176.300 0.013 0.000 1.195 1038 M CA -0.901 54.398 55.300 -0.002 0.000 0.784 1038 M CB 1.315 33.918 32.600 0.005 0.000 1.755 1038 M HN -0.286 nan 8.290 nan 0.000 0.477 1039 D N 0.954 121.365 120.400 0.019 0.000 2.256 1039 D HA 0.157 4.805 4.640 0.014 0.000 0.250 1039 D C -0.624 175.702 176.300 0.043 0.000 1.093 1039 D CA 0.196 54.211 54.000 0.025 0.000 0.882 1039 D CB 0.648 41.457 40.800 0.016 0.000 1.185 1039 D HN 0.323 nan 8.370 nan 0.000 0.437 1040 K N 1.822 122.251 120.400 0.048 0.000 3.311 1040 K HA -0.111 4.217 4.320 0.014 0.000 0.270 1040 K C -2.297 174.364 176.600 0.101 0.000 0.927 1040 K CA 0.196 56.520 56.287 0.062 0.000 0.706 1040 K CB -1.995 30.529 32.500 0.040 0.000 1.418 1040 K HN 0.518 nan 8.250 nan 0.000 0.459 1041 P HA 0.226 nan 4.420 nan 0.000 0.271 1041 P C -0.202 177.299 177.300 0.336 0.000 1.216 1041 P CA -0.255 63.023 63.100 0.297 0.000 0.776 1041 P CB 1.408 33.303 31.700 0.325 0.000 0.881 1042 V N 3.088 123.134 119.914 0.220 0.000 2.808 1042 V HA 0.307 4.436 4.120 0.014 0.000 0.308 1042 V C -0.227 175.458 176.094 -0.682 0.000 1.099 1042 V CA -1.156 61.029 62.300 -0.192 0.000 0.920 1042 V CB 2.131 33.879 31.823 -0.125 0.000 1.014 1042 V HN 0.523 nan 8.190 nan 0.000 0.425 1043 K N 4.682 124.216 120.400 -1.444 0.000 2.401 1043 K HA 0.344 4.673 4.320 0.014 0.000 0.278 1043 K C 0.250 176.454 176.600 -0.661 0.000 1.018 1043 K CA -0.057 55.264 56.287 -1.609 0.000 0.981 1043 K CB 0.931 32.605 32.500 -1.377 0.000 0.933 1043 K HN 0.749 nan 8.250 nan 0.000 0.477 1044 L N 2.444 123.401 121.223 -0.444 0.000 2.347 1044 L HA 0.362 4.710 4.340 0.014 0.000 0.196 1044 L C 0.473 177.261 176.870 -0.136 0.000 1.072 1044 L CA 0.088 54.809 54.840 -0.198 0.000 0.817 1044 L CB 0.258 42.267 42.059 -0.084 0.000 1.029 1044 L HN 0.736 nan 8.230 nan 0.000 0.478 1045 A N -1.011 121.744 122.820 -0.107 0.000 2.601 1045 A HA 0.643 4.971 4.320 0.014 0.000 0.291 1045 A C -1.202 176.322 177.584 -0.100 0.000 1.075 1045 A CA -0.286 51.700 52.037 -0.085 0.000 0.671 1045 A CB 1.773 20.815 19.000 0.071 0.000 1.277 1045 A HN -0.124 nan 8.150 nan 0.000 0.417 1046 S N 0.684 116.207 115.700 -0.295 0.000 2.737 1046 S HA 0.614 5.092 4.470 0.014 0.000 0.269 1046 S C -1.740 172.596 174.600 -0.439 0.000 1.150 1046 S CA -0.481 57.595 58.200 -0.207 0.000 1.077 1046 S CB 0.220 63.355 63.200 -0.108 0.000 1.075 1046 S HN 0.705 nan 8.310 nan 0.000 0.476 1047 H N 3.729 122.875 119.070 0.127 0.000 2.782 1047 H HA 0.531 5.095 4.556 0.013 0.000 0.347 1047 H C 0.572 176.005 175.328 0.175 0.000 1.038 1047 H CA -0.478 55.650 56.048 0.132 0.000 1.255 1047 H CB 1.502 31.347 29.762 0.138 0.000 1.623 1047 H HN 0.758 nan 8.280 nan 0.000 0.525 1048 R N 0.542 121.150 120.500 0.181 0.000 3.835 1048 R HA -0.226 4.122 4.340 0.014 0.000 0.455 1048 R C 1.087 177.312 176.300 -0.126 0.000 0.241 1048 R CA 1.803 57.926 56.100 0.037 0.000 1.439 1048 R CB -0.753 29.599 30.300 0.087 0.000 0.987 1048 R HN 0.761 nan 8.270 nan 0.000 0.570 1049 E N 2.141 122.077 120.200 -0.439 0.000 2.445 1049 E HA 0.003 4.361 4.350 0.014 0.000 0.189 1049 E C -0.207 176.097 176.600 -0.494 0.000 1.069 1049 E CA 0.658 56.768 56.400 -0.484 0.000 0.871 1049 E CB 0.030 29.413 29.700 -0.528 0.000 0.991 1049 E HN 0.363 nan 8.360 nan 0.000 0.481 1050 F N 1.523 121.522 119.950 0.081 0.000 2.291 1050 F HA 0.310 4.844 4.527 0.012 0.000 0.368 1050 F C 0.156 176.013 175.800 0.095 0.000 1.085 1050 F CA -0.740 57.317 58.000 0.095 0.000 1.165 1050 F CB 1.437 40.510 39.000 0.122 0.000 1.429 1050 F HN -0.312 nan 8.300 nan 0.000 0.503 1051 T N 1.990 116.674 114.554 0.218 0.000 2.795 1051 T HA 0.514 4.872 4.350 0.014 0.000 0.282 1051 T C -0.246 174.609 174.700 0.258 0.000 0.980 1051 T CA -0.730 61.489 62.100 0.199 0.000 1.012 1051 T CB 1.185 70.157 68.868 0.174 0.000 0.936 1051 T HN 0.538 nan 8.240 nan 0.000 0.457 1052 S N 2.138 117.988 115.700 0.251 0.000 2.536 1052 S HA 0.780 5.258 4.470 0.014 0.000 0.287 1052 S C -1.693 173.071 174.600 0.274 0.000 1.101 1052 S CA -1.020 57.336 58.200 0.261 0.000 0.950 1052 S CB 1.257 64.559 63.200 0.170 0.000 1.056 1052 S HN 0.656 nan 8.310 nan 0.000 0.481 1053 W N 1.132 122.449 121.300 0.029 0.000 2.844 1053 W HA 0.645 5.313 4.660 0.013 0.000 0.340 1053 W C 0.124 176.650 176.519 0.011 0.000 1.093 1053 W CA -0.782 56.572 57.345 0.016 0.000 1.212 1053 W CB 1.888 31.354 29.460 0.011 0.000 1.422 1053 W HN 0.765 nan 8.180 nan 0.000 0.515 1054 R N 1.811 122.423 120.500 0.186 0.000 2.532 1054 R HA 0.883 5.231 4.340 0.014 0.000 0.295 1054 R C -0.672 175.718 176.300 0.150 0.000 0.968 1054 R CA -0.326 55.848 56.100 0.122 0.000 0.916 1054 R CB 1.293 31.621 30.300 0.047 0.000 1.124 1054 R HN 0.635 nan 8.270 nan 0.000 0.463 1055 A N 3.090 125.975 122.820 0.109 0.000 2.552 1055 A HA 0.513 4.841 4.320 0.014 0.000 0.288 1055 A C -1.512 176.101 177.584 0.048 0.000 1.193 1055 A CA -0.801 51.291 52.037 0.091 0.000 0.713 1055 A CB 1.677 20.734 19.000 0.095 0.000 1.305 1055 A HN 0.740 nan 8.150 nan 0.000 0.424 1056 E N -0.595 119.627 120.200 0.037 0.000 2.199 1056 E HA 0.577 4.935 4.350 0.014 0.000 0.269 1056 E C -1.742 174.865 176.600 0.011 0.000 0.899 1056 E CA -0.518 55.893 56.400 0.019 0.000 0.772 1056 E CB 2.400 32.111 29.700 0.017 0.000 1.155 1056 E HN 0.368 nan 8.360 nan 0.000 0.408 1057 L N 3.535 124.759 121.223 0.002 0.000 2.406 1057 L HA 0.327 4.675 4.340 0.014 0.000 0.270 1057 L C -1.135 175.731 176.870 -0.007 0.000 0.982 1057 L CA -0.224 54.613 54.840 -0.004 0.000 0.843 1057 L CB 1.110 43.164 42.059 -0.010 0.000 1.225 1057 L HN 0.503 nan 8.230 nan 0.000 0.412 1058 D N 4.489 124.886 120.400 -0.006 0.000 2.708 1058 D HA -0.203 4.446 4.640 0.014 0.000 0.236 1058 D C 1.141 177.438 176.300 -0.005 0.000 1.146 1058 D CA 1.526 55.522 54.000 -0.007 0.000 0.662 1058 D CB -1.020 39.774 40.800 -0.010 0.000 1.059 1058 D HN 1.195 nan 8.370 nan 0.000 0.428 1059 G N -0.873 107.925 108.800 -0.002 0.000 2.179 1059 G HA2 -0.351 3.617 3.960 0.014 0.000 0.260 1059 G HA3 -0.351 3.617 3.960 0.014 0.000 0.260 1059 G C 0.275 175.174 174.900 -0.002 0.000 0.977 1059 G CA 0.680 45.780 45.100 -0.001 0.000 0.641 1059 G HN 0.478 nan 8.290 nan 0.000 0.533 1060 K N 0.600 120.998 120.400 -0.004 0.000 2.221 1060 K HA 0.703 5.031 4.320 0.014 0.000 0.258 1060 K C 0.430 177.027 176.600 -0.004 0.000 0.944 1060 K CA -0.130 56.153 56.287 -0.006 0.000 0.823 1060 K CB 1.987 34.481 32.500 -0.011 0.000 1.113 1060 K HN 0.478 nan 8.250 nan 0.000 0.431 1061 A N 2.325 125.143 122.820 -0.005 0.000 2.488 1061 A HA 0.334 4.662 4.320 0.014 0.000 0.249 1061 A C -0.219 177.360 177.584 -0.008 0.000 1.083 1061 A CA -0.097 51.940 52.037 -0.001 0.000 0.768 1061 A CB 0.184 19.182 19.000 -0.002 0.000 1.017 1061 A HN 0.413 nan 8.150 nan 0.000 0.496 1062 V N 3.532 123.447 119.914 0.002 0.000 2.925 1062 V HA 0.432 4.561 4.120 0.014 0.000 0.311 1062 V C -0.373 175.731 176.094 0.017 0.000 1.104 1062 V CA -0.361 61.936 62.300 -0.006 0.000 0.954 1062 V CB 2.018 33.838 31.823 -0.006 0.000 1.022 1062 V HN 0.789 nan 8.190 nan 0.000 0.427 1063 I N 2.933 123.507 120.570 0.005 0.000 2.412 1063 I HA 0.556 4.734 4.170 0.014 0.000 0.296 1063 I C -0.746 175.405 176.117 0.057 0.000 0.987 1063 I CA -0.787 60.538 61.300 0.041 0.000 1.180 1063 I CB 2.045 40.059 38.000 0.024 0.000 1.340 1063 I HN 0.289 nan 8.210 nan 0.000 0.455 1064 V N 5.364 125.343 119.914 0.109 0.000 2.409 1064 V HA 0.410 4.538 4.120 0.014 0.000 0.291 1064 V C -0.653 175.533 176.094 0.154 0.000 1.020 1064 V CA -0.528 61.835 62.300 0.104 0.000 0.848 1064 V CB 1.520 33.384 31.823 0.068 0.000 0.990 1064 V HN 0.865 nan 8.190 nan 0.000 0.430 1065 C N 5.127 124.512 119.300 0.143 0.000 2.551 1065 C HA 0.672 5.140 4.460 0.014 0.000 0.332 1065 C C 0.532 175.629 174.990 0.177 0.000 1.139 1065 C CA -0.418 58.708 59.018 0.180 0.000 1.328 1065 C CB 1.022 28.871 27.740 0.182 0.000 1.903 1065 C HN 1.055 nan 8.230 nan 0.000 0.459 1066 S N 3.459 119.268 115.700 0.182 0.000 2.576 1066 S HA 0.328 4.806 4.470 0.014 0.000 0.276 1066 S C 0.975 175.711 174.600 0.227 0.000 1.339 1066 S CA 0.467 58.755 58.200 0.148 0.000 1.039 1066 S CB 1.261 64.512 63.200 0.085 0.000 0.902 1066 S HN 1.078 nan 8.310 nan 0.000 0.516 1067 T N -1.276 113.371 114.554 0.154 0.000 3.015 1067 T HA 0.522 4.880 4.350 0.014 0.000 0.250 1067 T C 1.195 175.942 174.700 0.078 0.000 1.057 1067 T CA 0.347 62.567 62.100 0.199 0.000 1.066 1067 T CB -0.899 68.042 68.868 0.121 0.000 0.959 1067 T HN 1.964 nan 8.240 nan 0.000 0.488 1068 G N 1.853 110.628 108.800 -0.041 0.000 2.828 1068 G HA2 -0.064 3.905 3.960 0.014 0.000 0.463 1068 G HA3 -0.064 3.905 3.960 0.014 0.000 0.463 1068 G C -0.694 174.179 174.900 -0.044 0.000 1.394 1068 G CA -0.518 44.517 45.100 -0.109 0.000 0.862 1068 G HN 0.437 nan 8.290 nan 0.000 0.540 1069 I N 2.378 122.917 120.570 -0.052 0.000 2.371 1069 I HA 0.553 4.731 4.170 0.014 0.000 0.290 1069 I C 1.261 177.371 176.117 -0.011 0.000 1.028 1069 I CA 1.645 62.930 61.300 -0.026 0.000 1.345 1069 I CB -0.221 37.758 38.000 -0.035 0.000 1.407 1069 I HN 2.260 nan 8.210 nan 0.000 0.501 1070 G N 4.452 113.255 108.800 0.004 0.000 2.629 1070 G HA2 -0.030 3.938 3.960 0.014 0.000 0.686 1070 G HA3 -0.030 3.938 3.960 0.014 0.000 0.686 1070 G C 0.613 175.518 174.900 0.010 0.000 1.232 1070 G CA -0.444 44.661 45.100 0.008 0.000 0.803 1070 G HN 0.904 nan 8.290 nan 0.000 0.638 1071 G N 0.448 109.251 108.800 0.005 0.000 2.446 1071 G HA2 0.032 4.000 3.960 0.014 0.000 0.217 1071 G HA3 0.032 4.000 3.960 0.014 0.000 0.217 1071 G C 0.173 175.077 174.900 0.008 0.000 1.168 1071 G CA 2.197 47.298 45.100 0.001 0.000 0.771 1071 G HN 0.704 nan 8.290 nan 0.000 0.551 1072 P HA -0.158 nan 4.420 nan 0.000 0.214 1072 P C 2.486 179.814 177.300 0.046 0.000 1.163 1072 P CA 2.576 65.680 63.100 0.005 0.000 0.889 1072 P CB -0.281 31.418 31.700 -0.001 0.000 0.790 1073 S N -2.224 113.519 115.700 0.071 0.000 2.406 1073 S HA -0.103 4.375 4.470 0.014 0.000 0.228 1073 S C 1.916 176.648 174.600 0.220 0.000 1.020 1073 S CA 1.710 60.017 58.200 0.178 0.000 0.965 1073 S CB -1.917 61.341 63.200 0.097 0.000 0.798 1073 S HN 0.096 nan 8.310 nan 0.000 0.488 1074 T N 3.121 117.739 114.554 0.107 0.000 2.746 1074 T HA -0.119 4.239 4.350 0.014 0.000 0.267 1074 T C 2.339 177.035 174.700 -0.007 0.000 1.039 1074 T CA 1.844 63.979 62.100 0.058 0.000 1.142 1074 T CB -0.766 68.106 68.868 0.006 0.000 0.866 1074 T HN 0.793 nan 8.240 nan 0.000 0.444 1075 S N 1.209 116.909 115.700 0.000 0.000 2.399 1075 S HA -0.080 4.398 4.470 0.014 0.000 0.231 1075 S C 2.007 176.606 174.600 -0.002 0.000 1.022 1075 S CA 0.831 59.033 58.200 0.004 0.000 0.983 1075 S CB -0.682 62.614 63.200 0.160 0.000 0.803 1075 S HN 0.360 nan 8.310 nan 0.000 0.480 1076 I N 2.664 123.219 120.570 -0.026 0.000 2.202 1076 I HA -0.032 4.146 4.170 0.014 0.000 0.242 1076 I C 3.000 178.999 176.117 -0.196 0.000 1.091 1076 I CA 1.224 62.441 61.300 -0.138 0.000 1.368 1076 I CB -0.816 36.994 38.000 -0.317 0.000 1.058 1076 I HN 0.396 nan 8.210 nan 0.000 0.410 1077 A N 0.088 122.798 122.820 -0.183 0.000 1.865 1077 A HA -0.187 4.141 4.320 0.014 0.000 0.217 1077 A C 2.443 180.001 177.584 -0.043 0.000 1.191 1077 A CA 2.306 54.262 52.037 -0.135 0.000 0.623 1077 A CB -1.220 17.823 19.000 0.073 0.000 0.826 1077 A HN 0.232 nan 8.150 nan 0.000 0.444 1078 V N 0.247 120.092 119.914 -0.116 0.000 2.295 1078 V HA -0.257 3.871 4.120 0.014 0.000 0.246 1078 V C 2.641 178.634 176.094 -0.169 0.000 1.049 1078 V CA 2.515 64.624 62.300 -0.319 0.000 1.024 1078 V CB -0.846 30.587 31.823 -0.650 0.000 0.648 1078 V HN 0.777 nan 8.190 nan 0.000 0.447 1079 E N 0.956 121.092 120.200 -0.106 0.000 2.051 1079 E HA -0.247 4.111 4.350 0.014 0.000 0.192 1079 E C 2.079 178.702 176.600 0.039 0.000 0.991 1079 E CA 2.021 58.414 56.400 -0.012 0.000 0.799 1079 E CB -0.323 29.402 29.700 0.042 0.000 0.748 1079 E HN 0.680 nan 8.360 nan 0.000 0.449 1080 E N -0.196 120.018 120.200 0.024 0.000 2.152 1080 E HA -0.076 4.282 4.350 0.014 0.000 0.192 1080 E C 2.243 178.886 176.600 0.070 0.000 0.983 1080 E CA 0.822 57.246 56.400 0.040 0.000 0.818 1080 E CB -0.088 29.617 29.700 0.009 0.000 0.758 1080 E HN 0.307 nan 8.360 nan 0.000 0.467 1081 L N 0.617 121.909 121.223 0.115 0.000 2.093 1081 L HA -0.162 4.186 4.340 0.014 0.000 0.208 1081 L C 2.587 179.581 176.870 0.207 0.000 1.085 1081 L CA 0.939 55.888 54.840 0.183 0.000 0.755 1081 L CB -0.445 41.812 42.059 0.329 0.000 0.904 1081 L HN 0.140 nan 8.230 nan 0.000 0.435 1082 A N -0.395 122.590 122.820 0.276 0.000 1.902 1082 A HA -0.261 4.068 4.320 0.014 0.000 0.217 1082 A C 2.217 179.871 177.584 0.115 0.000 1.181 1082 A CA 1.572 53.744 52.037 0.225 0.000 0.623 1082 A CB -0.506 18.609 19.000 0.191 0.000 0.818 1082 A HN 0.461 nan 8.150 nan 0.000 0.443 1083 Q N -0.586 119.268 119.800 0.090 0.000 2.152 1083 Q HA -0.140 4.208 4.340 0.014 0.000 0.206 1083 Q C 1.927 177.957 176.000 0.051 0.000 0.985 1083 Q CA 1.544 57.385 55.803 0.062 0.000 0.863 1083 Q CB -0.338 28.433 28.738 0.056 0.000 0.904 1083 Q HN 0.692 nan 8.270 nan 0.000 0.422 1084 L N -1.632 119.624 121.223 0.054 0.000 2.395 1084 L HA 0.016 4.364 4.340 0.014 0.000 0.218 1084 L C 1.350 178.235 176.870 0.025 0.000 1.130 1084 L CA 0.796 55.658 54.840 0.037 0.000 0.826 1084 L CB 0.136 42.217 42.059 0.037 0.000 0.941 1084 L HN 0.480 nan 8.230 nan 0.000 0.451 1085 G N -0.408 108.410 108.800 0.030 0.000 2.273 1085 G HA2 -0.151 3.817 3.960 0.014 0.000 0.162 1085 G HA3 -0.151 3.817 3.960 0.014 0.000 0.162 1085 G C 0.121 175.010 174.900 -0.018 0.000 1.006 1085 G CA -0.672 44.434 45.100 0.011 0.000 0.704 1085 G HN 0.118 nan 8.290 nan 0.000 0.487 1086 I N 1.243 121.790 120.570 -0.038 0.000 2.529 1086 I HA 0.370 4.548 4.170 0.014 0.000 0.284 1086 I C 1.496 177.520 176.117 -0.155 0.000 1.082 1086 I CA -0.377 60.810 61.300 -0.187 0.000 1.406 1086 I CB 0.989 38.761 38.000 -0.379 0.000 1.405 1086 I HN -0.035 nan 8.210 nan 0.000 0.548 1087 R N 2.732 123.110 120.500 -0.203 0.000 2.453 1087 R HA 0.239 4.587 4.340 0.014 0.000 0.233 1087 R C -0.317 175.946 176.300 -0.061 0.000 0.895 1087 R CA 0.217 56.290 56.100 -0.045 0.000 1.028 1087 R CB 0.575 30.869 30.300 -0.010 0.000 1.255 1087 R HN 0.498 nan 8.270 nan 0.000 0.571 1088 T N 1.449 115.832 114.554 -0.284 0.000 2.841 1088 T HA 0.588 4.946 4.350 0.014 0.000 0.285 1088 T C -0.988 173.471 174.700 -0.401 0.000 0.991 1088 T CA -0.290 61.704 62.100 -0.176 0.000 0.966 1088 T CB 1.202 70.010 68.868 -0.101 0.000 0.962 1088 T HN -0.172 nan 8.240 nan 0.000 0.438 1089 F N 2.612 122.559 119.950 -0.006 0.000 2.493 1089 F HA 0.572 5.109 4.527 0.016 0.000 0.329 1089 F C -0.221 175.575 175.800 -0.008 0.000 1.126 1089 F CA -1.105 56.891 58.000 -0.006 0.000 0.937 1089 F CB 1.381 40.373 39.000 -0.013 0.000 1.146 1089 F HN 0.220 nan 8.300 nan 0.000 0.442 1090 L N 4.278 125.579 121.223 0.129 0.000 2.318 1090 L HA 0.501 4.849 4.340 0.014 0.000 0.277 1090 L C -0.077 176.839 176.870 0.076 0.000 1.008 1090 L CA -0.649 54.236 54.840 0.075 0.000 0.846 1090 L CB 1.676 43.750 42.059 0.024 0.000 1.220 1090 L HN 0.596 nan 8.230 nan 0.000 0.423 1091 R N 3.142 123.683 120.500 0.069 0.000 2.340 1091 R HA 0.489 4.838 4.340 0.014 0.000 0.300 1091 R C -0.930 175.388 176.300 0.031 0.000 1.069 1091 R CA -0.518 55.613 56.100 0.052 0.000 0.984 1091 R CB 1.163 31.488 30.300 0.042 0.000 1.003 1091 R HN 0.516 nan 8.270 nan 0.000 0.459 1092 I N 3.708 124.294 120.570 0.027 0.000 2.406 1092 I HA 0.610 4.788 4.170 0.014 0.000 0.290 1092 I C -0.635 175.492 176.117 0.017 0.000 0.999 1092 I CA -0.086 61.224 61.300 0.016 0.000 1.124 1092 I CB 1.833 39.837 38.000 0.006 0.000 1.289 1092 I HN 0.736 nan 8.210 nan 0.000 0.441 1093 G N 3.951 112.762 108.800 0.018 0.000 2.766 1093 G HA2 0.669 4.637 3.960 0.014 0.000 0.288 1093 G HA3 0.669 4.637 3.960 0.014 0.000 0.288 1093 G C -1.165 173.750 174.900 0.025 0.000 1.408 1093 G CA -0.382 44.731 45.100 0.021 0.000 0.852 1093 G HN 0.653 nan 8.290 nan 0.000 0.487 1094 T N -2.507 112.065 114.554 0.030 0.000 2.895 1094 T HA 0.727 5.085 4.350 0.014 0.000 0.283 1094 T C -0.300 174.428 174.700 0.048 0.000 1.014 1094 T CA -0.636 61.486 62.100 0.037 0.000 1.037 1094 T CB 1.999 70.889 68.868 0.038 0.000 1.006 1094 T HN 0.763 nan 8.240 nan 0.000 0.468 1095 T N 0.095 114.677 114.554 0.047 0.000 2.868 1095 T HA 0.665 5.023 4.350 0.014 0.000 0.306 1095 T C -0.468 174.257 174.700 0.042 0.000 1.224 1095 T CA -0.509 61.619 62.100 0.046 0.000 1.012 1095 T CB 1.392 70.278 68.868 0.031 0.000 1.221 1095 T HN 1.118 nan 8.240 nan 0.000 0.499 1096 G N 1.734 110.558 108.800 0.041 0.000 2.384 1096 G HA2 0.639 4.607 3.960 0.014 0.000 0.316 1096 G HA3 0.639 4.607 3.960 0.014 0.000 0.316 1096 G C 0.022 174.939 174.900 0.028 0.000 1.160 1096 G CA -0.237 44.883 45.100 0.033 0.000 0.936 1096 G HN 0.973 nan 8.290 nan 0.000 0.455 1097 A N 2.203 125.024 122.820 0.002 0.000 2.386 1097 A HA 0.551 4.880 4.320 0.014 0.000 0.248 1097 A C 1.127 178.693 177.584 -0.029 0.000 1.082 1097 A CA -0.335 51.683 52.037 -0.033 0.000 0.789 1097 A CB 0.290 19.262 19.000 -0.047 0.000 1.025 1097 A HN 1.284 nan 8.150 nan 0.000 0.490 1098 I N -2.411 118.121 120.570 -0.065 0.000 4.154 1098 I HA 0.235 4.414 4.170 0.014 0.000 0.334 1098 I C -0.138 175.949 176.117 -0.050 0.000 1.371 1098 I CA -0.293 60.982 61.300 -0.043 0.000 1.110 1098 I CB 0.204 38.160 38.000 -0.074 0.000 1.085 1098 I HN 0.336 nan 8.210 nan 0.000 0.398 1099 Q N 2.979 122.734 119.800 -0.076 0.000 2.257 1099 Q HA 0.361 4.709 4.340 0.014 0.000 0.255 1099 Q C -1.788 174.142 176.000 -0.117 0.000 0.920 1099 Q CA -2.068 53.687 55.803 -0.080 0.000 0.927 1099 Q CB 1.754 30.442 28.738 -0.084 0.000 1.229 1099 Q HN 0.053 nan 8.270 nan 0.000 0.433 1100 P HA -0.137 nan 4.420 nan 0.000 0.222 1100 P C 0.353 177.392 177.300 -0.435 0.000 1.147 1100 P CA 1.443 64.347 63.100 -0.327 0.000 0.790 1100 P CB 0.394 31.819 31.700 -0.459 0.000 0.780 1101 H N -1.478 117.563 119.070 -0.048 0.000 2.542 1101 H HA 0.269 4.833 4.556 0.013 0.000 0.283 1101 H C 0.266 175.546 175.328 -0.080 0.000 1.059 1101 H CA -0.518 55.507 56.048 -0.037 0.000 1.162 1101 H CB 0.260 30.015 29.762 -0.013 0.000 1.539 1101 H HN 0.140 nan 8.280 nan 0.000 0.543 1102 I N 2.227 122.737 120.570 -0.100 0.000 2.297 1102 I HA 0.038 4.217 4.170 0.014 0.000 0.291 1102 I C 0.254 176.352 176.117 -0.032 0.000 1.033 1102 I CA -0.141 61.051 61.300 -0.181 0.000 1.253 1102 I CB 0.581 38.382 38.000 -0.331 0.000 1.396 1102 I HN 0.028 nan 8.210 nan 0.000 0.476 1103 N N 3.888 122.620 118.700 0.054 0.000 2.493 1103 N HA 0.421 5.169 4.740 0.014 0.000 0.275 1103 N C -0.683 174.849 175.510 0.037 0.000 1.186 1103 N CA -0.838 52.237 53.050 0.042 0.000 0.978 1103 N CB 1.099 39.621 38.487 0.058 0.000 1.184 1103 N HN 0.211 nan 8.380 nan 0.000 0.487 1104 V N 1.246 121.172 119.914 0.020 0.000 2.617 1104 V HA 0.184 4.312 4.120 0.014 0.000 0.304 1104 V C 1.388 177.489 176.094 0.010 0.000 1.040 1104 V CA 1.541 63.850 62.300 0.015 0.000 1.149 1104 V CB 0.056 31.884 31.823 0.008 0.000 0.914 1104 V HN 1.072 nan 8.190 nan 0.000 0.487 1105 G N 3.857 112.664 108.800 0.011 0.000 2.232 1105 G HA2 -0.178 3.791 3.960 0.014 0.000 0.226 1105 G HA3 -0.178 3.791 3.960 0.014 0.000 0.226 1105 G C -0.069 174.842 174.900 0.017 0.000 0.996 1105 G CA -0.013 45.078 45.100 -0.016 0.000 0.626 1105 G HN 0.673 nan 8.290 nan 0.000 0.509 1106 D N 0.235 120.675 120.400 0.066 0.000 2.357 1106 D HA 0.495 5.144 4.640 0.014 0.000 0.242 1106 D C 0.511 176.888 176.300 0.128 0.000 1.153 1106 D CA 0.105 54.178 54.000 0.122 0.000 0.918 1106 D CB 1.687 42.623 40.800 0.227 0.000 1.181 1106 D HN 0.231 nan 8.370 nan 0.000 0.435 1107 V N 2.215 122.206 119.914 0.128 0.000 2.459 1107 V HA 0.368 4.496 4.120 0.014 0.000 0.295 1107 V C -0.022 176.132 176.094 0.100 0.000 1.029 1107 V CA -0.756 61.604 62.300 0.101 0.000 0.874 1107 V CB 1.263 33.134 31.823 0.079 0.000 0.985 1107 V HN 0.282 nan 8.190 nan 0.000 0.438 1108 L N 5.141 126.414 121.223 0.082 0.000 2.313 1108 L HA 0.652 5.000 4.340 0.014 0.000 0.283 1108 L C -0.741 176.152 176.870 0.039 0.000 1.013 1108 L CA -0.804 54.082 54.840 0.077 0.000 0.816 1108 L CB 1.991 44.087 42.059 0.062 0.000 1.236 1108 L HN 0.331 nan 8.230 nan 0.000 0.419 1109 V N 1.736 121.669 119.914 0.032 0.000 2.384 1109 V HA 0.302 4.430 4.120 0.014 0.000 0.287 1109 V C 0.228 176.327 176.094 0.009 0.000 1.020 1109 V CA -0.412 61.895 62.300 0.010 0.000 0.850 1109 V CB 1.755 33.575 31.823 -0.005 0.000 0.987 1109 V HN 0.740 nan 8.190 nan 0.000 0.436 1110 T N 3.437 117.992 114.554 0.002 0.000 2.743 1110 T HA 0.198 4.557 4.350 0.014 0.000 0.293 1110 T C 1.346 176.046 174.700 0.000 0.000 0.945 1110 T CA 0.188 62.286 62.100 -0.003 0.000 1.030 1110 T CB 1.199 70.061 68.868 -0.010 0.000 0.912 1110 T HN 0.959 nan 8.240 nan 0.000 0.483 1111 T N 0.796 115.352 114.554 0.003 0.000 2.937 1111 T HA 0.461 4.819 4.350 0.014 0.000 0.260 1111 T C 0.744 175.449 174.700 0.008 0.000 1.051 1111 T CA 0.307 62.414 62.100 0.013 0.000 1.141 1111 T CB 0.149 69.029 68.868 0.020 0.000 0.879 1111 T HN 0.764 nan 8.240 nan 0.000 0.459 1112 A N -0.094 122.721 122.820 -0.008 0.000 2.586 1112 A HA 0.674 5.002 4.320 0.014 0.000 0.291 1112 A C -1.100 176.461 177.584 -0.038 0.000 1.062 1112 A CA -0.848 51.180 52.037 -0.015 0.000 0.666 1112 A CB 1.207 20.197 19.000 -0.017 0.000 1.281 1112 A HN 0.204 nan 8.150 nan 0.000 0.421 1113 S N -0.287 115.388 115.700 -0.041 0.000 2.513 1113 S HA 0.587 5.065 4.470 0.014 0.000 0.299 1113 S C -0.426 174.115 174.600 -0.098 0.000 1.087 1113 S CA -0.545 57.610 58.200 -0.074 0.000 1.012 1113 S CB 1.694 64.862 63.200 -0.053 0.000 1.044 1113 S HN 0.922 nan 8.310 nan 0.000 0.485 1114 V N 3.402 123.203 119.914 -0.188 0.000 2.479 1114 V HA 0.170 4.298 4.120 0.014 0.000 0.281 1114 V C 0.599 176.604 176.094 -0.148 0.000 1.031 1114 V CA 0.003 62.152 62.300 -0.252 0.000 1.038 1114 V CB -0.173 31.284 31.823 -0.610 0.000 0.981 1114 V HN 0.698 nan 8.190 nan 0.000 0.478 1115 R N 5.338 125.805 120.500 -0.055 0.000 2.893 1115 R HA 0.307 4.655 4.340 0.014 0.000 0.243 1115 R C 0.061 176.396 176.300 0.059 0.000 1.481 1115 R CA -0.109 56.000 56.100 0.015 0.000 1.250 1115 R CB -0.015 30.318 30.300 0.054 0.000 1.213 1115 R HN 0.675 nan 8.270 nan 0.000 0.609 1116 L N 2.050 123.314 121.223 0.068 0.000 2.851 1116 L HA 0.131 4.480 4.340 0.014 0.000 0.237 1116 L C 0.328 177.288 176.870 0.150 0.000 1.257 1116 L CA -0.244 54.705 54.840 0.181 0.000 1.061 1116 L CB -0.704 41.511 42.059 0.259 0.000 1.372 1116 L HN 0.512 nan 8.230 nan 0.000 0.493 1117 D N -1.321 119.141 120.400 0.102 0.000 2.525 1117 D HA 0.327 4.975 4.640 0.014 0.000 0.249 1117 D C 0.691 177.041 176.300 0.082 0.000 1.072 1117 D CA -0.330 53.716 54.000 0.076 0.000 1.067 1117 D CB 1.959 42.786 40.800 0.045 0.000 1.282 1117 D HN -0.071 nan 8.370 nan 0.000 0.587 1118 G N -1.237 107.592 108.800 0.050 0.000 2.747 1118 G HA2 0.251 4.219 3.960 0.014 0.000 0.202 1118 G HA3 0.251 4.219 3.960 0.014 0.000 0.202 1118 G C 1.244 176.132 174.900 -0.021 0.000 1.090 1118 G CA 0.583 45.712 45.100 0.049 0.000 0.779 1118 G HN 0.612 nan 8.290 nan 0.000 0.535 1119 A N 1.720 124.482 122.820 -0.097 0.000 2.015 1119 A HA 0.039 4.367 4.320 0.014 0.000 0.219 1119 A C 2.642 180.305 177.584 0.131 0.000 1.163 1119 A CA 2.251 54.182 52.037 -0.176 0.000 0.646 1119 A CB -0.599 18.358 19.000 -0.072 0.000 0.806 1119 A HN 0.703 nan 8.150 nan 0.000 0.448 1120 S N 0.257 116.050 115.700 0.155 0.000 2.399 1120 S HA -0.113 4.366 4.470 0.014 0.000 0.231 1120 S C 1.702 176.448 174.600 0.243 0.000 1.022 1120 S CA 1.459 59.790 58.200 0.218 0.000 0.983 1120 S CB -0.721 62.554 63.200 0.125 0.000 0.803 1120 S HN 0.453 nan 8.310 nan 0.000 0.480 1121 L N 0.702 122.050 121.223 0.208 0.000 2.362 1121 L HA 0.025 4.373 4.340 0.014 0.000 0.219 1121 L C 2.306 179.277 176.870 0.168 0.000 1.134 1121 L CA 0.992 55.943 54.840 0.185 0.000 0.807 1121 L CB -0.650 41.515 42.059 0.178 0.000 0.927 1121 L HN 0.496 nan 8.230 nan 0.000 0.447 1122 H N -1.815 117.209 119.070 -0.076 0.000 2.547 1122 H HA 0.025 4.588 4.556 0.011 0.000 0.266 1122 H C 1.240 176.215 175.328 -0.587 0.000 0.988 1122 H CA 0.574 56.425 56.048 -0.327 0.000 1.147 1122 H CB 0.434 29.939 29.762 -0.428 0.000 1.365 1122 H HN 0.351 nan 8.280 nan 0.000 0.589 1123 F N -0.355 119.615 119.950 0.032 0.000 2.747 1123 F HA 0.435 4.969 4.527 0.012 0.000 0.305 1123 F C 0.803 176.508 175.800 -0.158 0.000 1.065 1123 F CA -0.020 57.939 58.000 -0.069 0.000 1.230 1123 F CB 1.100 40.044 39.000 -0.092 0.000 1.027 1123 F HN -0.037 nan 8.300 nan 0.000 0.607 1124 A N 0.351 123.186 122.820 0.025 0.000 2.589 1124 A HA 0.614 4.942 4.320 0.014 0.000 0.296 1124 A C -2.813 174.790 177.584 0.032 0.000 1.062 1124 A CA -1.385 50.599 52.037 -0.088 0.000 0.686 1124 A CB 0.602 19.358 19.000 -0.407 0.000 1.282 1124 A HN -0.185 nan 8.150 nan 0.000 0.404 1125 P HA 0.115 nan 4.420 nan 0.000 0.271 1125 P C 0.882 178.262 177.300 0.134 0.000 1.233 1125 P CA -0.213 62.937 63.100 0.084 0.000 0.789 1125 P CB 0.423 32.169 31.700 0.076 0.000 0.951 1126 M N 1.445 121.111 119.600 0.111 0.000 2.195 1126 M HA -0.196 4.292 4.480 0.014 0.000 0.260 1126 M C 1.520 177.895 176.300 0.125 0.000 1.066 1126 M CA 1.943 57.312 55.300 0.115 0.000 1.089 1126 M CB -1.281 31.372 32.600 0.088 0.000 1.377 1126 M HN 0.312 nan 8.290 nan 0.000 0.411 1127 E N -0.834 119.438 120.200 0.120 0.000 2.209 1127 E HA -0.121 4.237 4.350 0.014 0.000 0.196 1127 E C 0.305 176.975 176.600 0.118 0.000 0.993 1127 E CA 0.688 57.149 56.400 0.101 0.000 0.819 1127 E CB -0.482 29.270 29.700 0.087 0.000 0.745 1127 E HN 0.489 nan 8.360 nan 0.000 0.477 1128 F N 2.251 122.221 119.950 0.033 0.000 2.538 1128 F HA 0.133 4.664 4.527 0.007 0.000 0.371 1128 F C -1.961 173.855 175.800 0.027 0.000 1.087 1128 F CA -2.729 55.290 58.000 0.032 0.000 1.250 1128 F CB 0.551 39.576 39.000 0.042 0.000 1.110 1128 F HN -0.118 nan 8.300 nan 0.000 0.570 1129 P HA 0.160 nan 4.420 nan 0.000 0.281 1129 P C -1.244 176.088 177.300 0.053 0.000 1.252 1129 P CA -0.416 62.609 63.100 -0.125 0.000 0.778 1129 P CB 1.234 32.791 31.700 -0.238 0.000 0.895 1130 A N 3.979 126.851 122.820 0.086 0.000 3.063 1130 A HA 0.257 4.585 4.320 0.014 0.000 0.263 1130 A C 0.288 177.900 177.584 0.046 0.000 1.736 1130 A CA -0.307 51.788 52.037 0.097 0.000 1.408 1130 A CB -0.967 18.067 19.000 0.058 0.000 1.108 1130 A HN 0.468 nan 8.150 nan 0.000 0.621 1131 V N 1.587 121.531 119.914 0.049 0.000 2.532 1131 V HA 0.701 4.829 4.120 0.014 0.000 0.295 1131 V C 0.634 176.756 176.094 0.046 0.000 1.041 1131 V CA -0.200 62.114 62.300 0.024 0.000 0.926 1131 V CB 1.430 33.245 31.823 -0.013 0.000 0.992 1131 V HN 0.878 nan 8.190 nan 0.000 0.457 1132 A N 4.199 127.043 122.820 0.040 0.000 2.332 1132 A HA 0.425 4.753 4.320 0.014 0.000 0.258 1132 A C 0.014 177.640 177.584 0.070 0.000 1.087 1132 A CA -0.250 51.815 52.037 0.047 0.000 0.802 1132 A CB 0.246 19.264 19.000 0.030 0.000 1.042 1132 A HN 1.032 nan 8.150 nan 0.000 0.489 1133 D N 0.015 120.460 120.400 0.074 0.000 2.414 1133 D HA 0.114 4.762 4.640 0.014 0.000 0.242 1133 D C 0.676 177.043 176.300 0.113 0.000 1.129 1133 D CA -0.053 54.007 54.000 0.100 0.000 0.885 1133 D CB 0.186 41.038 40.800 0.086 0.000 1.198 1133 D HN 0.375 nan 8.370 nan 0.000 0.437 1134 F N 3.822 123.780 119.950 0.013 0.000 2.102 1134 F HA -0.084 4.450 4.527 0.013 0.000 0.298 1134 F C 2.036 177.841 175.800 0.007 0.000 1.105 1134 F CA 1.778 59.782 58.000 0.007 0.000 1.239 1134 F CB -0.447 38.556 39.000 0.004 0.000 0.991 1134 F HN 0.487 nan 8.300 nan 0.000 0.474 1135 A N -0.614 122.185 122.820 -0.034 0.000 1.902 1135 A HA -0.192 4.136 4.320 0.014 0.000 0.217 1135 A C 2.350 179.845 177.584 -0.149 0.000 1.181 1135 A CA 1.732 53.692 52.037 -0.128 0.000 0.623 1135 A CB -1.652 17.355 19.000 0.012 0.000 0.818 1135 A HN 0.569 nan 8.150 nan 0.000 0.443 1136 C N -1.072 118.182 119.300 -0.077 0.000 2.453 1136 C HA -0.071 4.397 4.460 0.014 0.000 0.277 1136 C C 3.046 177.979 174.990 -0.094 0.000 1.262 1136 C CA 1.528 60.510 59.018 -0.060 0.000 1.718 1136 C CB -1.483 26.253 27.740 -0.007 0.000 2.031 1136 C HN 0.650 nan 8.230 nan 0.000 0.480 1137 T N 0.649 115.132 114.554 -0.118 0.000 2.746 1137 T HA -0.159 4.199 4.350 0.014 0.000 0.267 1137 T C 1.777 176.359 174.700 -0.197 0.000 1.039 1137 T CA 2.130 64.153 62.100 -0.127 0.000 1.142 1137 T CB -0.567 68.245 68.868 -0.094 0.000 0.866 1137 T HN 0.597 nan 8.240 nan 0.000 0.444 1138 T N 2.167 116.511 114.554 -0.351 0.000 2.684 1138 T HA -0.074 4.284 4.350 0.014 0.000 0.267 1138 T C 2.438 177.021 174.700 -0.196 0.000 1.036 1138 T CA 1.272 63.160 62.100 -0.353 0.000 1.148 1138 T CB -0.643 67.896 68.868 -0.547 0.000 0.863 1138 T HN 0.450 nan 8.240 nan 0.000 0.436 1139 A N 1.088 123.811 122.820 -0.162 0.000 1.908 1139 A HA -0.016 4.313 4.320 0.014 0.000 0.218 1139 A C 2.327 179.860 177.584 -0.085 0.000 1.181 1139 A CA 1.292 53.267 52.037 -0.103 0.000 0.627 1139 A CB -0.864 18.087 19.000 -0.082 0.000 0.818 1139 A HN 0.479 nan 8.150 nan 0.000 0.445 1140 L N -0.819 120.354 121.223 -0.082 0.000 2.027 1140 L HA -0.143 4.205 4.340 0.014 0.000 0.206 1140 L C 2.540 179.371 176.870 -0.065 0.000 1.074 1140 L CA 1.027 55.828 54.840 -0.064 0.000 0.745 1140 L CB -0.553 41.475 42.059 -0.051 0.000 0.898 1140 L HN 0.238 nan 8.230 nan 0.000 0.433 1141 V N -0.150 119.719 119.914 -0.075 0.000 2.343 1141 V HA -0.276 3.852 4.120 0.014 0.000 0.247 1141 V C 2.370 178.425 176.094 -0.064 0.000 1.051 1141 V CA 1.830 64.090 62.300 -0.067 0.000 1.036 1141 V CB -0.433 31.348 31.823 -0.072 0.000 0.654 1141 V HN 0.446 nan 8.190 nan 0.000 0.451 1142 E N 0.077 120.234 120.200 -0.072 0.000 2.106 1142 E HA -0.165 4.193 4.350 0.014 0.000 0.192 1142 E C 2.297 178.863 176.600 -0.057 0.000 0.984 1142 E CA 1.242 57.606 56.400 -0.061 0.000 0.806 1142 E CB -0.318 29.344 29.700 -0.064 0.000 0.750 1142 E HN 0.602 nan 8.360 nan 0.000 0.458 1143 A N 1.315 124.098 122.820 -0.062 0.000 1.930 1143 A HA -0.062 4.266 4.320 0.014 0.000 0.217 1143 A C 2.362 179.902 177.584 -0.074 0.000 1.175 1143 A CA 1.452 53.451 52.037 -0.065 0.000 0.627 1143 A CB -0.520 18.441 19.000 -0.065 0.000 0.815 1143 A HN 0.288 nan 8.150 nan 0.000 0.443 1144 A N -0.112 122.665 122.820 -0.071 0.000 1.933 1144 A HA -0.170 4.158 4.320 0.014 0.000 0.218 1144 A C 2.105 179.651 177.584 -0.064 0.000 1.175 1144 A CA 1.841 53.833 52.037 -0.074 0.000 0.628 1144 A CB -0.391 18.575 19.000 -0.058 0.000 0.814 1144 A HN 0.537 nan 8.150 nan 0.000 0.444 1145 K N -0.235 120.132 120.400 -0.053 0.000 2.097 1145 K HA -0.040 4.288 4.320 0.014 0.000 0.205 1145 K C 2.275 178.851 176.600 -0.041 0.000 1.050 1145 K CA 1.340 57.602 56.287 -0.042 0.000 0.938 1145 K CB -0.118 32.359 32.500 -0.038 0.000 0.718 1145 K HN 0.433 nan 8.250 nan 0.000 0.442 1146 S N 0.977 116.648 115.700 -0.048 0.000 2.402 1146 S HA -0.079 4.399 4.470 0.014 0.000 0.229 1146 S C 1.855 176.423 174.600 -0.053 0.000 1.021 1146 S CA 0.954 59.127 58.200 -0.045 0.000 0.974 1146 S CB -0.072 63.100 63.200 -0.047 0.000 0.800 1146 S HN 0.125 nan 8.310 nan 0.000 0.484 1147 I N 0.492 121.014 120.570 -0.080 0.000 2.406 1147 I HA 0.116 4.294 4.170 0.014 0.000 0.249 1147 I C 1.710 177.788 176.117 -0.067 0.000 1.122 1147 I CA 1.055 62.287 61.300 -0.113 0.000 1.431 1147 I CB -0.315 37.548 38.000 -0.229 0.000 1.087 1147 I HN 0.425 nan 8.210 nan 0.000 0.424 1148 G N 0.302 109.078 108.800 -0.040 0.000 2.145 1148 G HA2 -0.039 3.929 3.960 0.014 0.000 0.176 1148 G HA3 -0.039 3.929 3.960 0.014 0.000 0.176 1148 G C 0.316 175.259 174.900 0.071 0.000 1.013 1148 G CA -0.156 44.952 45.100 0.012 0.000 0.689 1148 G HN 0.615 nan 8.290 nan 0.000 0.506 1149 A N -0.216 122.646 122.820 0.069 0.000 2.287 1149 A HA 0.790 5.119 4.320 0.014 0.000 0.273 1149 A C 0.794 178.408 177.584 0.051 0.000 1.091 1149 A CA 0.602 52.743 52.037 0.174 0.000 0.817 1149 A CB 0.495 19.587 19.000 0.153 0.000 1.069 1149 A HN 0.825 nan 8.150 nan 0.000 0.492 1150 T N 2.411 116.988 114.554 0.038 0.000 2.738 1150 T HA 0.436 4.794 4.350 0.014 0.000 0.294 1150 T C -0.106 174.516 174.700 -0.130 0.000 0.914 1150 T CA 0.366 62.431 62.100 -0.058 0.000 1.052 1150 T CB -0.119 68.734 68.868 -0.026 0.000 0.897 1150 T HN 0.598 nan 8.240 nan 0.000 0.522 1151 T N 4.532 118.944 114.554 -0.238 0.000 2.829 1151 T HA 0.418 4.776 4.350 0.014 0.000 0.280 1151 T C -0.526 173.926 174.700 -0.412 0.000 0.999 1151 T CA -0.811 61.162 62.100 -0.211 0.000 0.983 1151 T CB 0.958 69.770 68.868 -0.093 0.000 0.968 1151 T HN 0.535 nan 8.240 nan 0.000 0.446 1152 H N 0.802 119.879 119.070 0.012 0.000 2.572 1152 H HA 0.604 5.168 4.556 0.014 0.000 0.359 1152 H C -1.012 174.316 175.328 0.001 0.000 1.134 1152 H CA -0.619 55.434 56.048 0.008 0.000 1.187 1152 H CB 1.953 31.721 29.762 0.011 0.000 1.597 1152 H HN 0.271 nan 8.280 nan 0.000 0.524 1153 V N 1.839 121.818 119.914 0.107 0.000 2.487 1153 V HA 0.712 4.840 4.120 0.014 0.000 0.298 1153 V C 0.488 176.612 176.094 0.049 0.000 1.028 1153 V CA -0.225 62.107 62.300 0.055 0.000 0.860 1153 V CB 1.389 33.228 31.823 0.026 0.000 0.991 1153 V HN 1.119 nan 8.190 nan 0.000 0.427 1154 G N 3.102 111.919 108.800 0.029 0.000 2.399 1154 G HA2 0.366 4.334 3.960 0.014 0.000 0.256 1154 G HA3 0.366 4.334 3.960 0.014 0.000 0.256 1154 G C -1.370 173.525 174.900 -0.010 0.000 1.236 1154 G CA -0.367 44.741 45.100 0.013 0.000 0.914 1154 G HN 0.530 nan 8.290 nan 0.000 0.482 1155 V N 0.921 120.819 119.914 -0.027 0.000 2.607 1155 V HA 0.627 4.756 4.120 0.014 0.000 0.289 1155 V C 0.311 176.348 176.094 -0.094 0.000 1.053 1155 V CA 0.031 62.297 62.300 -0.058 0.000 0.996 1155 V CB 1.310 33.096 31.823 -0.062 0.000 0.995 1155 V HN 0.777 nan 8.190 nan 0.000 0.476 1156 T N 3.411 117.895 114.554 -0.116 0.000 2.863 1156 T HA 0.640 4.998 4.350 0.014 0.000 0.285 1156 T C -0.093 174.472 174.700 -0.225 0.000 1.009 1156 T CA -0.304 61.706 62.100 -0.150 0.000 0.989 1156 T CB 1.658 70.472 68.868 -0.089 0.000 1.004 1156 T HN 0.907 nan 8.240 nan 0.000 0.455 1157 A N 2.209 124.837 122.820 -0.320 0.000 2.302 1157 A HA 0.588 4.916 4.320 0.014 0.000 0.295 1157 A C 0.435 177.953 177.584 -0.110 0.000 1.235 1157 A CA -0.413 51.402 52.037 -0.370 0.000 0.876 1157 A CB 0.252 18.868 19.000 -0.640 0.000 1.133 1157 A HN 0.634 nan 8.150 nan 0.000 0.533 1158 S N 2.387 118.036 115.700 -0.085 0.000 2.474 1158 S HA 0.474 4.952 4.470 0.014 0.000 0.320 1158 S C 0.031 174.642 174.600 0.018 0.000 1.067 1158 S CA -0.323 57.870 58.200 -0.013 0.000 1.127 1158 S CB 0.168 63.355 63.200 -0.023 0.000 0.971 1158 S HN 0.929 nan 8.310 nan 0.000 0.472 1159 S N 3.187 118.905 115.700 0.030 0.000 2.525 1159 S HA 0.348 4.826 4.470 0.014 0.000 0.290 1159 S C 0.516 175.104 174.600 -0.019 0.000 1.152 1159 S CA -0.589 57.608 58.200 -0.004 0.000 1.072 1159 S CB 1.129 64.266 63.200 -0.104 0.000 1.027 1159 S HN 0.707 nan 8.310 nan 0.000 0.500 1160 D N 1.742 122.135 120.400 -0.011 0.000 2.363 1160 D HA 0.118 4.766 4.640 0.014 0.000 0.220 1160 D C 0.646 176.934 176.300 -0.020 0.000 0.994 1160 D CA 0.759 54.759 54.000 -0.001 0.000 0.890 1160 D CB 0.206 41.023 40.800 0.028 0.000 0.906 1160 D HN 0.710 nan 8.370 nan 0.000 0.530 1161 T N -3.978 110.529 114.554 -0.079 0.000 2.906 1161 T HA 0.286 4.644 4.350 0.014 0.000 0.295 1161 T C 0.468 175.108 174.700 -0.100 0.000 1.061 1161 T CA -0.873 61.193 62.100 -0.057 0.000 1.000 1161 T CB 1.202 70.021 68.868 -0.081 0.000 1.103 1161 T HN -0.119 nan 8.240 nan 0.000 0.486 1162 F N 0.165 119.989 119.950 -0.210 0.000 2.416 1162 F HA 0.200 4.735 4.527 0.014 0.000 0.296 1162 F C 0.915 176.380 175.800 -0.559 0.000 1.099 1162 F CA 0.702 58.457 58.000 -0.407 0.000 1.427 1162 F CB -0.016 38.681 39.000 -0.505 0.000 1.079 1162 F HN 0.685 nan 8.300 nan 0.000 0.536 1163 Y N 0.533 120.786 120.300 -0.078 0.000 2.344 1163 Y HA 0.162 4.720 4.550 0.012 0.000 0.261 1163 Y C -0.497 175.221 175.900 -0.304 0.000 1.080 1163 Y CA 0.313 58.322 58.100 -0.152 0.000 1.151 1163 Y CB -1.918 36.537 38.460 -0.009 0.000 1.059 1163 Y HN -0.240 nan 8.280 nan 0.000 0.490 1164 P HA -0.076 nan 4.420 nan 0.000 0.217 1164 P C 1.463 178.458 177.300 -0.509 0.000 1.151 1164 P CA 2.135 65.080 63.100 -0.258 0.000 0.828 1164 P CB -0.208 31.404 31.700 -0.147 0.000 0.788 1165 G N -0.095 108.267 108.800 -0.730 0.000 2.559 1165 G HA2 -0.185 3.783 3.960 0.014 0.000 0.216 1165 G HA3 -0.185 3.783 3.960 0.014 0.000 0.216 1165 G C 1.289 175.734 174.900 -0.759 0.000 1.126 1165 G CA 0.249 44.600 45.100 -1.249 0.000 0.778 1165 G HN 0.376 nan 8.290 nan 0.000 0.543 1166 Q N -0.511 118.842 119.800 -0.745 0.000 2.175 1166 Q HA 0.211 4.559 4.340 0.014 0.000 0.225 1166 Q C -0.041 175.601 176.000 -0.596 0.000 0.837 1166 Q CA -0.317 54.804 55.803 -1.138 0.000 1.032 1166 Q CB 0.497 28.421 28.738 -1.357 0.000 1.137 1166 Q HN 0.551 nan 8.270 nan 0.000 0.483 1167 E N 1.758 121.744 120.200 -0.357 0.000 2.199 1167 E HA -0.241 4.117 4.350 0.014 0.000 0.208 1167 E C -0.904 175.523 176.600 -0.289 0.000 1.310 1167 E CA 0.203 56.446 56.400 -0.263 0.000 0.709 1167 E CB -0.330 29.364 29.700 -0.010 0.000 1.127 1167 E HN 0.343 nan 8.360 nan 0.000 0.354 1168 R N 0.224 120.537 120.500 -0.312 0.000 2.254 1168 R HA 0.195 4.543 4.340 0.014 0.000 0.318 1168 R C 0.259 176.443 176.300 -0.194 0.000 1.031 1168 R CA -0.172 55.842 56.100 -0.144 0.000 0.905 1168 R CB 0.513 30.784 30.300 -0.048 0.000 1.050 1168 R HN 0.219 nan 8.270 nan 0.000 0.456 1169 Y N 0.238 120.567 120.300 0.048 0.000 2.458 1169 Y HA -0.005 4.553 4.550 0.014 0.000 0.254 1169 Y C 0.741 176.666 175.900 0.043 0.000 1.120 1169 Y CA -0.197 57.927 58.100 0.039 0.000 1.282 1169 Y CB 0.549 39.023 38.460 0.022 0.000 1.109 1169 Y HN 0.548 nan 8.280 nan 0.000 0.526 1170 D N 1.443 121.958 120.400 0.192 0.000 2.885 1170 D HA 0.008 4.656 4.640 0.014 0.000 0.234 1170 D C 0.256 176.618 176.300 0.105 0.000 1.129 1170 D CA 0.323 54.411 54.000 0.146 0.000 0.991 1170 D CB -0.524 40.370 40.800 0.156 0.000 1.137 1170 D HN 0.238 nan 8.370 nan 0.000 0.459 1171 T N -4.227 110.360 114.554 0.054 0.000 2.888 1171 T HA 0.211 4.570 4.350 0.014 0.000 0.288 1171 T C 0.884 175.587 174.700 0.005 0.000 1.063 1171 T CA -0.985 61.096 62.100 -0.032 0.000 1.010 1171 T CB 1.366 70.196 68.868 -0.064 0.000 1.214 1171 T HN 0.077 nan 8.240 nan 0.000 0.533 1172 Y N 1.516 121.747 120.300 -0.116 0.000 2.097 1172 Y HA -0.185 4.372 4.550 0.013 0.000 0.282 1172 Y C 2.798 178.677 175.900 -0.035 0.000 1.152 1172 Y CA 2.778 60.835 58.100 -0.073 0.000 1.136 1172 Y CB -0.403 38.005 38.460 -0.087 0.000 0.975 1172 Y HN 0.758 nan 8.280 nan 0.000 0.498 1173 S N -0.917 114.666 115.700 -0.194 0.000 2.414 1173 S HA 0.085 4.563 4.470 0.014 0.000 0.227 1173 S C 1.919 176.444 174.600 -0.125 0.000 1.022 1173 S CA 0.799 58.854 58.200 -0.241 0.000 0.958 1173 S CB -0.654 62.509 63.200 -0.062 0.000 0.797 1173 S HN 1.057 nan 8.310 nan 0.000 0.493 1174 G N 1.987 110.765 108.800 -0.037 0.000 2.168 1174 G HA2 -0.335 3.633 3.960 0.014 0.000 0.263 1174 G HA3 -0.335 3.633 3.960 0.014 0.000 0.263 1174 G C 0.069 175.058 174.900 0.149 0.000 0.977 1174 G CA 0.475 45.610 45.100 0.058 0.000 0.659 1174 G HN 1.029 nan 8.290 nan 0.000 0.533 1175 R N -1.194 119.354 120.500 0.079 0.000 2.732 1175 R HA 0.818 5.167 4.340 0.014 0.000 0.278 1175 R C -0.972 175.343 176.300 0.025 0.000 0.976 1175 R CA -0.999 55.167 56.100 0.110 0.000 0.963 1175 R CB 2.258 32.598 30.300 0.065 0.000 1.150 1175 R HN 0.225 nan 8.270 nan 0.000 0.478 1176 V N 2.785 122.725 119.914 0.043 0.000 2.588 1176 V HA 0.242 4.370 4.120 0.014 0.000 0.304 1176 V C -0.027 176.117 176.094 0.083 0.000 1.042 1176 V CA -1.059 61.221 62.300 -0.032 0.000 0.877 1176 V CB 1.806 33.484 31.823 -0.242 0.000 0.996 1176 V HN 0.696 nan 8.190 nan 0.000 0.425 1177 V N 5.834 125.816 119.914 0.113 0.000 3.032 1177 V HA 0.048 4.176 4.120 0.014 0.000 0.307 1177 V C 1.881 178.042 176.094 0.112 0.000 1.097 1177 V CA 0.761 63.136 62.300 0.124 0.000 1.191 1177 V CB 0.896 32.812 31.823 0.154 0.000 0.964 1177 V HN 0.979 nan 8.190 nan 0.000 0.494 1178 R N 3.623 124.160 120.500 0.061 0.000 2.134 1178 R HA -0.238 4.111 4.340 0.014 0.000 0.248 1178 R C 2.292 178.578 176.300 -0.024 0.000 1.143 1178 R CA 2.612 58.726 56.100 0.024 0.000 0.957 1178 R CB -0.373 29.930 30.300 0.005 0.000 0.867 1178 R HN 0.837 nan 8.270 nan 0.000 0.441 1179 R N -0.623 119.826 120.500 -0.084 0.000 2.103 1179 R HA -0.179 4.169 4.340 0.014 0.000 0.242 1179 R C 1.435 177.503 176.300 -0.387 0.000 1.142 1179 R CA 2.159 58.086 56.100 -0.289 0.000 0.960 1179 R CB -0.229 29.798 30.300 -0.454 0.000 0.858 1179 R HN 0.319 nan 8.270 nan 0.000 0.439 1180 F N 0.360 120.324 119.950 0.022 0.000 2.695 1180 F HA 0.261 4.803 4.527 0.024 0.000 0.303 1180 F C 0.333 176.133 175.800 -0.000 0.000 1.091 1180 F CA -0.324 57.687 58.000 0.019 0.000 1.300 1180 F CB 0.448 39.461 39.000 0.022 0.000 1.071 1180 F HN -0.291 nan 8.300 nan 0.000 0.578 1181 K N 0.950 121.431 120.400 0.135 0.000 2.412 1181 K HA 0.229 4.557 4.320 0.014 0.000 0.284 1181 K C 1.148 177.790 176.600 0.070 0.000 1.046 1181 K CA 0.751 57.118 56.287 0.133 0.000 0.999 1181 K CB 0.238 32.803 32.500 0.108 0.000 0.941 1181 K HN 0.372 nan 8.250 nan 0.000 0.474 1182 G N 2.114 110.973 108.800 0.099 0.000 2.153 1182 G HA2 -0.344 3.624 3.960 0.014 0.000 0.252 1182 G HA3 -0.344 3.624 3.960 0.014 0.000 0.252 1182 G C 0.918 175.781 174.900 -0.062 0.000 0.994 1182 G CA 0.830 45.945 45.100 0.025 0.000 0.698 1182 G HN 0.688 nan 8.290 nan 0.000 0.521 1183 S N -0.884 114.788 115.700 -0.048 0.000 2.387 1183 S HA 0.055 4.534 4.470 0.014 0.000 0.226 1183 S C 2.251 176.668 174.600 -0.305 0.000 1.026 1183 S CA 1.530 59.576 58.200 -0.257 0.000 0.972 1183 S CB -0.253 62.952 63.200 0.009 0.000 0.814 1183 S HN 0.635 nan 8.310 nan 0.000 0.477 1184 M N 1.571 121.216 119.600 0.075 0.000 2.117 1184 M HA -0.108 4.380 4.480 0.014 0.000 0.262 1184 M C 2.381 178.726 176.300 0.075 0.000 1.065 1184 M CA 2.046 57.479 55.300 0.221 0.000 1.114 1184 M CB -0.272 32.508 32.600 0.300 0.000 1.361 1184 M HN 0.519 nan 8.290 nan 0.000 0.408 1185 E N 0.103 120.309 120.200 0.011 0.000 2.085 1185 E HA -0.254 4.104 4.350 0.014 0.000 0.194 1185 E C 1.659 178.223 176.600 -0.060 0.000 0.994 1185 E CA 1.834 58.226 56.400 -0.013 0.000 0.801 1185 E CB -0.024 29.665 29.700 -0.017 0.000 0.743 1185 E HN 0.641 nan 8.360 nan 0.000 0.453 1186 E N -0.340 119.751 120.200 -0.182 0.000 2.051 1186 E HA -0.191 4.167 4.350 0.014 0.000 0.192 1186 E C 1.860 178.384 176.600 -0.126 0.000 0.991 1186 E CA 1.509 57.754 56.400 -0.259 0.000 0.799 1186 E CB -0.248 29.140 29.700 -0.520 0.000 0.748 1186 E HN 0.475 nan 8.360 nan 0.000 0.449 1187 W N 1.315 122.621 121.300 0.011 0.000 2.358 1187 W HA -0.175 4.487 4.660 0.003 0.000 0.303 1187 W C 2.499 178.985 176.519 -0.055 0.000 1.208 1187 W CA 0.229 57.554 57.345 -0.034 0.000 1.274 1187 W CB -0.169 29.241 29.460 -0.084 0.000 1.138 1187 W HN 0.107 nan 8.180 nan 0.000 0.515 1188 Q N 0.405 120.297 119.800 0.153 0.000 2.096 1188 Q HA -0.211 4.137 4.340 0.014 0.000 0.204 1188 Q C 2.468 178.501 176.000 0.055 0.000 0.982 1188 Q CA 1.892 57.736 55.803 0.068 0.000 0.850 1188 Q CB -0.612 28.150 28.738 0.040 0.000 0.901 1188 Q HN 0.334 nan 8.270 nan 0.000 0.422 1189 A N 0.243 123.091 122.820 0.047 0.000 2.067 1189 A HA -0.088 4.240 4.320 0.014 0.000 0.219 1189 A C 1.796 179.411 177.584 0.052 0.000 1.158 1189 A CA 0.994 53.051 52.037 0.034 0.000 0.661 1189 A CB -0.260 18.746 19.000 0.010 0.000 0.801 1189 A HN 0.302 nan 8.150 nan 0.000 0.452 1190 M N -1.338 118.317 119.600 0.091 0.000 2.561 1190 M HA 0.180 4.668 4.480 0.014 0.000 0.238 1190 M C 1.310 177.658 176.300 0.079 0.000 1.131 1190 M CA 0.738 56.102 55.300 0.107 0.000 1.046 1190 M CB 0.312 33.029 32.600 0.195 0.000 1.532 1190 M HN 0.589 nan 8.290 nan 0.000 0.497 1191 G N 0.701 109.537 108.800 0.060 0.000 2.159 1191 G HA2 -0.207 3.762 3.960 0.014 0.000 0.256 1191 G HA3 -0.207 3.762 3.960 0.014 0.000 0.256 1191 G C 0.085 174.990 174.900 0.008 0.000 0.977 1191 G CA -0.186 44.932 45.100 0.031 0.000 0.652 1191 G HN 0.310 nan 8.290 nan 0.000 0.531 1192 V N 1.770 121.693 119.914 0.014 0.000 2.599 1192 V HA 0.159 4.287 4.120 0.014 0.000 0.300 1192 V C 1.881 177.920 176.094 -0.091 0.000 1.034 1192 V CA 1.224 63.490 62.300 -0.057 0.000 1.115 1192 V CB 1.117 32.886 31.823 -0.091 0.000 0.934 1192 V HN 0.413 nan 8.190 nan 0.000 0.485 1193 M N 3.280 122.814 119.600 -0.109 0.000 2.236 1193 M HA 0.087 4.575 4.480 0.014 0.000 0.266 1193 M C 0.699 176.914 176.300 -0.142 0.000 1.070 1193 M CA 1.086 56.320 55.300 -0.110 0.000 1.137 1193 M CB -0.021 32.533 32.600 -0.077 0.000 1.378 1193 M HN 0.965 nan 8.290 nan 0.000 0.426 1194 N N -1.816 116.767 118.700 -0.196 0.000 3.227 1194 N HA 0.151 4.899 4.740 0.014 0.000 0.241 1194 N C -1.988 173.348 175.510 -0.289 0.000 1.480 1194 N CA -0.678 52.256 53.050 -0.193 0.000 0.886 1194 N CB 1.126 39.565 38.487 -0.080 0.000 1.406 1194 N HN -0.098 nan 8.380 nan 0.000 0.514 1195 Y N -0.246 120.007 120.300 -0.078 0.000 2.377 1195 Y HA 0.495 5.052 4.550 0.011 0.000 0.339 1195 Y C 0.295 176.143 175.900 -0.087 0.000 1.011 1195 Y CA -0.189 57.849 58.100 -0.104 0.000 1.093 1195 Y CB 1.619 39.993 38.460 -0.142 0.000 1.201 1195 Y HN 0.790 nan 8.280 nan 0.000 0.455 1196 E N 0.059 120.320 120.200 0.102 0.000 2.391 1196 E HA 0.550 4.908 4.350 0.014 0.000 0.256 1196 E C -0.979 175.645 176.600 0.041 0.000 0.975 1196 E CA -0.750 55.684 56.400 0.058 0.000 0.881 1196 E CB 1.203 30.926 29.700 0.038 0.000 1.728 1196 E HN 0.452 nan 8.360 nan 0.000 0.446 1197 M N -0.621 118.999 119.600 0.033 0.000 2.327 1197 M HA 0.332 4.820 4.480 0.014 0.000 0.365 1197 M C -0.189 176.120 176.300 0.015 0.000 0.992 1197 M CA 0.226 55.540 55.300 0.023 0.000 0.985 1197 M CB 0.738 33.359 32.600 0.035 0.000 1.673 1197 M HN 0.504 nan 8.290 nan 0.000 0.586 1198 E N -0.743 119.463 120.200 0.010 0.000 2.505 1198 E HA 0.069 4.427 4.350 0.014 0.000 0.212 1198 E C 1.803 178.396 176.600 -0.011 0.000 0.825 1198 E CA 0.665 57.066 56.400 0.001 0.000 1.333 1198 E CB 0.338 30.042 29.700 0.006 0.000 1.319 1198 E HN 0.296 nan 8.360 nan 0.000 0.658 1199 S N 0.996 116.691 115.700 -0.008 0.000 2.382 1199 S HA -0.119 4.359 4.470 0.014 0.000 0.228 1199 S C 2.215 176.803 174.600 -0.020 0.000 1.027 1199 S CA 1.053 59.244 58.200 -0.015 0.000 0.991 1199 S CB -0.305 62.888 63.200 -0.012 0.000 0.823 1199 S HN 0.229 nan 8.310 nan 0.000 0.469 1200 A N 1.705 124.517 122.820 -0.013 0.000 1.902 1200 A HA -0.037 4.291 4.320 0.014 0.000 0.217 1200 A C 2.449 180.031 177.584 -0.003 0.000 1.181 1200 A CA 2.161 54.197 52.037 -0.002 0.000 0.623 1200 A CB -1.688 17.316 19.000 0.007 0.000 0.818 1200 A HN 0.580 nan 8.150 nan 0.000 0.443 1201 T N 0.048 114.592 114.554 -0.016 0.000 2.668 1201 T HA -0.128 4.231 4.350 0.014 0.000 0.262 1201 T C 1.891 176.507 174.700 -0.140 0.000 1.045 1201 T CA 1.521 63.595 62.100 -0.044 0.000 1.152 1201 T CB -0.476 68.376 68.868 -0.027 0.000 0.864 1201 T HN 0.367 nan 8.240 nan 0.000 0.419 1202 L N 1.097 122.244 121.223 -0.127 0.000 1.990 1202 L HA -0.064 4.284 4.340 0.014 0.000 0.213 1202 L C 2.208 178.981 176.870 -0.160 0.000 1.072 1202 L CA 1.761 56.495 54.840 -0.178 0.000 0.755 1202 L CB -0.733 41.259 42.059 -0.112 0.000 0.889 1202 L HN 0.255 nan 8.230 nan 0.000 0.432 1203 L N -1.275 119.902 121.223 -0.076 0.000 2.056 1203 L HA -0.182 4.166 4.340 0.014 0.000 0.207 1203 L C 2.389 179.257 176.870 -0.003 0.000 1.078 1203 L CA 1.736 56.561 54.840 -0.025 0.000 0.749 1203 L CB -1.200 40.865 42.059 0.009 0.000 0.901 1203 L HN 0.325 nan 8.230 nan 0.000 0.433 1204 T N 0.677 115.229 114.554 -0.004 0.000 2.708 1204 T HA -0.231 4.128 4.350 0.014 0.000 0.266 1204 T C 1.844 176.461 174.700 -0.140 0.000 1.037 1204 T CA 1.975 64.095 62.100 0.033 0.000 1.146 1204 T CB -0.282 68.626 68.868 0.067 0.000 0.865 1204 T HN 0.448 nan 8.240 nan 0.000 0.435 1205 M N 0.210 119.594 119.600 -0.360 0.000 2.296 1205 M HA 0.014 4.502 4.480 0.014 0.000 0.265 1205 M C 2.179 178.222 176.300 -0.428 0.000 1.064 1205 M CA 1.402 56.267 55.300 -0.726 0.000 1.109 1205 M CB -1.004 30.691 32.600 -1.508 0.000 1.396 1205 M HN 0.177 nan 8.290 nan 0.000 0.430 1206 C N 1.305 120.440 119.300 -0.276 0.000 2.500 1206 C HA 0.201 4.669 4.460 0.014 0.000 0.279 1206 C C 3.259 178.235 174.990 -0.024 0.000 1.288 1206 C CA 0.947 59.880 59.018 -0.142 0.000 1.710 1206 C CB -1.066 26.618 27.740 -0.093 0.000 2.052 1206 C HN 0.757 nan 8.230 nan 0.000 0.488 1207 A N 1.032 123.875 122.820 0.038 0.000 2.070 1207 A HA -0.114 4.214 4.320 0.014 0.000 0.220 1207 A C 2.120 179.814 177.584 0.183 0.000 1.159 1207 A CA 2.023 54.157 52.037 0.162 0.000 0.656 1207 A CB -0.564 18.605 19.000 0.283 0.000 0.800 1207 A HN 0.710 nan 8.150 nan 0.000 0.453 1208 S N -2.008 113.682 115.700 -0.017 0.000 2.556 1208 S HA 0.180 4.659 4.470 0.014 0.000 0.216 1208 S C 0.930 175.492 174.600 -0.064 0.000 0.970 1208 S CA 0.258 58.352 58.200 -0.177 0.000 0.912 1208 S CB 0.107 63.000 63.200 -0.511 0.000 0.790 1208 S HN 0.622 nan 8.310 nan 0.000 0.504 1209 Q N 0.128 119.916 119.800 -0.021 0.000 2.064 1209 Q HA 0.325 4.673 4.340 0.014 0.000 0.213 1209 Q C 0.595 176.614 176.000 0.032 0.000 0.779 1209 Q CA 0.089 55.894 55.803 0.004 0.000 1.032 1209 Q CB 1.139 29.869 28.738 -0.014 0.000 1.203 1209 Q HN 0.641 nan 8.270 nan 0.000 0.457 1210 G N 1.550 110.379 108.800 0.049 0.000 2.176 1210 G HA2 -0.268 3.700 3.960 0.014 0.000 0.252 1210 G HA3 -0.268 3.700 3.960 0.014 0.000 0.252 1210 G C -0.139 174.806 174.900 0.075 0.000 1.024 1210 G CA 0.232 45.370 45.100 0.062 0.000 0.755 1210 G HN 0.243 nan 8.290 nan 0.000 0.507 1211 L N -0.513 120.759 121.223 0.082 0.000 2.331 1211 L HA 0.655 5.003 4.340 0.014 0.000 0.275 1211 L C 0.936 177.888 176.870 0.136 0.000 1.022 1211 L CA -1.169 53.753 54.840 0.136 0.000 0.812 1211 L CB 1.382 43.549 42.059 0.180 0.000 1.257 1211 L HN 0.051 nan 8.230 nan 0.000 0.435 1212 R N 1.807 122.402 120.500 0.159 0.000 2.349 1212 R HA 0.763 5.111 4.340 0.014 0.000 0.299 1212 R C -0.700 175.705 176.300 0.175 0.000 1.027 1212 R CA -0.524 55.653 56.100 0.129 0.000 0.958 1212 R CB 1.543 31.894 30.300 0.084 0.000 1.047 1212 R HN 0.715 nan 8.270 nan 0.000 0.468 1213 A N 1.495 124.389 122.820 0.123 0.000 2.427 1213 A HA 0.726 5.054 4.320 0.014 0.000 0.298 1213 A C -0.645 176.980 177.584 0.069 0.000 1.036 1213 A CA -0.632 51.476 52.037 0.119 0.000 0.701 1213 A CB 2.074 21.120 19.000 0.077 0.000 1.250 1213 A HN 0.771 nan 8.150 nan 0.000 0.412 1214 G N 0.051 108.887 108.800 0.061 0.000 2.537 1214 G HA2 0.689 4.657 3.960 0.014 0.000 0.308 1214 G HA3 0.689 4.657 3.960 0.014 0.000 0.308 1214 G C -1.027 173.889 174.900 0.028 0.000 1.237 1214 G CA -0.613 44.504 45.100 0.029 0.000 0.968 1214 G HN 1.098 nan 8.290 nan 0.000 0.481 1215 M N 1.750 121.358 119.600 0.013 0.000 2.224 1215 M HA 0.663 5.151 4.480 0.014 0.000 0.281 1215 M C -1.831 174.472 176.300 0.006 0.000 1.025 1215 M CA -0.757 54.550 55.300 0.012 0.000 0.954 1215 M CB 1.910 34.515 32.600 0.007 0.000 1.639 1215 M HN 0.649 nan 8.290 nan 0.000 0.461 1216 V N 4.164 124.083 119.914 0.008 0.000 2.841 1216 V HA 1.049 5.178 4.120 0.014 0.000 0.310 1216 V C -1.605 174.498 176.094 0.014 0.000 1.090 1216 V CA 0.118 62.422 62.300 0.007 0.000 0.930 1216 V CB 1.987 33.809 31.823 -0.002 0.000 1.014 1216 V HN 1.191 nan 8.190 nan 0.000 0.425 1217 A N 3.677 126.510 122.820 0.021 0.000 2.549 1217 A HA 0.900 5.228 4.320 0.014 0.000 0.297 1217 A C -0.279 177.330 177.584 0.041 0.000 1.061 1217 A CA -0.139 51.915 52.037 0.028 0.000 0.690 1217 A CB 1.869 20.884 19.000 0.025 0.000 1.287 1217 A HN 1.571 nan 8.150 nan 0.000 0.402 1218 G N 0.119 108.945 108.800 0.043 0.000 2.332 1218 G HA2 0.523 4.491 3.960 0.014 0.000 0.310 1218 G HA3 0.523 4.491 3.960 0.014 0.000 0.310 1218 G C -0.526 174.403 174.900 0.047 0.000 1.123 1218 G CA -0.349 44.784 45.100 0.055 0.000 0.873 1218 G HN 0.906 nan 8.290 nan 0.000 0.460 1219 V N 3.776 123.720 119.914 0.050 0.000 2.415 1219 V HA 0.078 4.206 4.120 0.014 0.000 0.267 1219 V C 1.227 177.340 176.094 0.031 0.000 1.042 1219 V CA 0.066 62.389 62.300 0.039 0.000 1.000 1219 V CB 0.523 32.370 31.823 0.039 0.000 1.015 1219 V HN 0.790 nan 8.190 nan 0.000 0.478 1220 I N 3.781 124.370 120.570 0.031 0.000 4.070 1220 I HA 0.489 4.667 4.170 0.014 0.000 0.328 1220 I C 0.275 176.409 176.117 0.028 0.000 1.298 1220 I CA 0.552 61.869 61.300 0.029 0.000 1.173 1220 I CB 0.871 38.891 38.000 0.033 0.000 1.051 1220 I HN 0.381 nan 8.210 nan 0.000 0.409 1221 V N 1.048 120.979 119.914 0.028 0.000 3.120 1221 V HA 0.492 4.620 4.120 0.014 0.000 0.303 1221 V C -1.786 174.316 176.094 0.014 0.000 1.238 1221 V CA -0.633 61.681 62.300 0.023 0.000 1.008 1221 V CB 2.305 34.148 31.823 0.032 0.000 1.064 1221 V HN 0.362 nan 8.190 nan 0.000 0.434 1222 N N 4.158 122.863 118.700 0.007 0.000 2.407 1222 N HA 0.403 5.151 4.740 0.014 0.000 0.277 1222 N C 0.593 176.104 175.510 0.003 0.000 0.995 1222 N CA -0.609 52.440 53.050 -0.003 0.000 0.903 1222 N CB 1.912 40.388 38.487 -0.019 0.000 1.218 1222 N HN 0.590 nan 8.380 nan 0.000 0.487 1223 R N 0.900 121.408 120.500 0.013 0.000 2.237 1223 R HA -0.039 4.309 4.340 0.014 0.000 0.219 1223 R C 1.278 177.589 176.300 0.018 0.000 1.080 1223 R CA 1.084 57.200 56.100 0.027 0.000 0.995 1223 R CB -0.537 29.801 30.300 0.064 0.000 0.875 1223 R HN 0.679 nan 8.270 nan 0.000 0.462 1224 T N -3.224 111.328 114.554 -0.004 0.000 3.069 1224 T HA 0.154 4.512 4.350 0.014 0.000 0.252 1224 T C 0.633 175.317 174.700 -0.026 0.000 1.053 1224 T CA -0.148 61.941 62.100 -0.018 0.000 0.964 1224 T CB 0.414 69.254 68.868 -0.046 0.000 1.005 1224 T HN 0.060 nan 8.240 nan 0.000 0.532 1225 Q N 0.813 120.602 119.800 -0.019 0.000 2.316 1225 Q HA 0.386 4.734 4.340 0.014 0.000 0.264 1225 Q C 0.556 176.555 176.000 -0.003 0.000 0.987 1225 Q CA -0.588 55.205 55.803 -0.017 0.000 0.852 1225 Q CB 2.083 30.809 28.738 -0.020 0.000 1.287 1225 Q HN 0.315 nan 8.270 nan 0.000 0.448 1226 Q N 0.916 120.715 119.800 -0.002 0.000 2.119 1226 Q HA -0.112 4.236 4.340 0.014 0.000 0.201 1226 Q C -0.338 175.667 176.000 0.008 0.000 0.972 1226 Q CA 1.032 56.838 55.803 0.005 0.000 0.847 1226 Q CB 0.225 28.965 28.738 0.004 0.000 0.903 1226 Q HN 0.540 nan 8.270 nan 0.000 0.433 1227 E N 1.371 121.574 120.200 0.006 0.000 2.180 1227 E HA 0.139 4.497 4.350 0.014 0.000 0.283 1227 E C -0.710 175.896 176.600 0.010 0.000 1.061 1227 E CA -0.213 56.192 56.400 0.008 0.000 0.861 1227 E CB 0.851 30.554 29.700 0.005 0.000 1.056 1227 E HN 0.119 nan 8.360 nan 0.000 0.407 1228 I N 5.620 126.199 120.570 0.014 0.000 2.312 1228 I HA 0.231 4.409 4.170 0.014 0.000 0.290 1228 I C -1.684 174.442 176.117 0.015 0.000 1.008 1228 I CA -2.583 58.728 61.300 0.018 0.000 1.226 1228 I CB 0.240 38.255 38.000 0.026 0.000 1.371 1228 I HN 0.305 nan 8.210 nan 0.000 0.468 1229 P HA 0.092 nan 4.420 nan 0.000 0.268 1229 P C -0.555 176.752 177.300 0.011 0.000 1.208 1229 P CA -0.359 62.746 63.100 0.009 0.000 0.777 1229 P CB 0.243 31.947 31.700 0.007 0.000 0.875 1230 N N 0.333 119.037 118.700 0.007 0.000 2.344 1230 N HA 0.059 4.807 4.740 0.014 0.000 0.236 1230 N C 1.418 176.932 175.510 0.007 0.000 1.279 1230 N CA 0.283 53.337 53.050 0.007 0.000 0.882 1230 N CB -0.558 37.932 38.487 0.004 0.000 1.110 1230 N HN 0.480 nan 8.380 nan 0.000 0.436 1231 A N 1.080 123.904 122.820 0.007 0.000 2.016 1231 A HA -0.369 3.959 4.320 0.014 0.000 0.225 1231 A C 1.454 179.040 177.584 0.003 0.000 1.230 1231 A CA 2.362 54.402 52.037 0.005 0.000 0.678 1231 A CB -1.349 17.652 19.000 0.002 0.000 0.826 1231 A HN 0.942 nan 8.150 nan 0.000 0.484 1232 E N 0.811 121.012 120.200 0.001 0.000 2.357 1232 E HA 0.068 4.426 4.350 0.014 0.000 0.194 1232 E C 1.115 177.716 176.600 0.002 0.000 1.177 1232 E CA 0.790 57.190 56.400 -0.000 0.000 0.998 1232 E CB -1.078 28.620 29.700 -0.002 0.000 1.106 1232 E HN 0.716 nan 8.360 nan 0.000 0.470 1233 T N -1.188 113.370 114.554 0.007 0.000 2.620 1233 T HA -0.418 3.940 4.350 0.014 0.000 0.267 1233 T C 1.775 176.482 174.700 0.011 0.000 1.044 1233 T CA 1.726 63.833 62.100 0.011 0.000 1.161 1233 T CB -0.332 68.547 68.868 0.020 0.000 0.862 1233 T HN 0.402 nan 8.240 nan 0.000 0.438 1234 M N 0.701 120.307 119.600 0.010 0.000 2.091 1234 M HA -0.099 4.389 4.480 0.014 0.000 0.259 1234 M C 2.357 178.661 176.300 0.007 0.000 1.076 1234 M CA 1.743 57.048 55.300 0.010 0.000 1.111 1234 M CB -0.281 32.321 32.600 0.003 0.000 1.291 1234 M HN 0.079 nan 8.290 nan 0.000 0.417 1235 K N 0.248 120.649 120.400 0.001 0.000 1.975 1235 K HA -0.355 3.973 4.320 0.014 0.000 0.233 1235 K C 1.912 178.516 176.600 0.005 0.000 0.991 1235 K CA 2.604 58.890 56.287 -0.001 0.000 1.022 1235 K CB -1.245 31.253 32.500 -0.004 0.000 0.723 1235 K HN 0.598 nan 8.250 nan 0.000 0.473 1236 Q N -0.198 119.604 119.800 0.003 0.000 2.119 1236 Q HA -0.090 4.258 4.340 0.014 0.000 0.201 1236 Q C 2.013 178.023 176.000 0.016 0.000 0.972 1236 Q CA 1.730 57.535 55.803 0.004 0.000 0.847 1236 Q CB 0.048 28.778 28.738 -0.013 0.000 0.903 1236 Q HN 0.429 nan 8.270 nan 0.000 0.433 1237 T N 0.720 115.280 114.554 0.010 0.000 2.821 1237 T HA -0.152 4.206 4.350 0.014 0.000 0.267 1237 T C 1.538 176.280 174.700 0.069 0.000 1.046 1237 T CA 1.493 63.610 62.100 0.028 0.000 1.139 1237 T CB -0.116 68.762 68.868 0.016 0.000 0.871 1237 T HN 0.243 nan 8.240 nan 0.000 0.454 1238 E N 1.249 121.475 120.200 0.043 0.000 2.106 1238 E HA -0.037 4.321 4.350 0.014 0.000 0.192 1238 E C 2.396 179.019 176.600 0.039 0.000 0.984 1238 E CA 0.963 57.384 56.400 0.036 0.000 0.806 1238 E CB -0.416 29.292 29.700 0.015 0.000 0.750 1238 E HN 0.317 nan 8.360 nan 0.000 0.458 1239 S N -0.501 115.224 115.700 0.042 0.000 2.383 1239 S HA -0.190 4.288 4.470 0.014 0.000 0.229 1239 S C 1.691 176.332 174.600 0.068 0.000 1.030 1239 S CA 1.377 59.599 58.200 0.038 0.000 1.002 1239 S CB -0.498 62.723 63.200 0.035 0.000 0.829 1239 S HN 0.429 nan 8.310 nan 0.000 0.467 1240 H N 1.469 120.532 119.070 -0.012 0.000 2.321 1240 H HA 0.103 4.667 4.556 0.013 0.000 0.300 1240 H C 2.151 177.472 175.328 -0.011 0.000 1.087 1240 H CA 1.554 57.595 56.048 -0.011 0.000 1.319 1240 H CB -0.448 29.310 29.762 -0.006 0.000 1.379 1240 H HN 0.347 nan 8.280 nan 0.000 0.501 1241 A N -0.464 122.400 122.820 0.074 0.000 1.968 1241 A HA -0.048 4.280 4.320 0.014 0.000 0.217 1241 A C 2.616 180.189 177.584 -0.019 0.000 1.169 1241 A CA 1.281 53.327 52.037 0.014 0.000 0.638 1241 A CB -0.657 18.366 19.000 0.040 0.000 0.812 1241 A HN 0.305 nan 8.150 nan 0.000 0.446 1242 V N 0.195 120.101 119.914 -0.013 0.000 2.427 1242 V HA -0.211 3.917 4.120 0.014 0.000 0.248 1242 V C 2.562 178.629 176.094 -0.045 0.000 1.051 1242 V CA 2.345 64.629 62.300 -0.027 0.000 1.048 1242 V CB -0.505 31.302 31.823 -0.027 0.000 0.666 1242 V HN 0.578 nan 8.190 nan 0.000 0.456 1243 K N 0.511 120.875 120.400 -0.060 0.000 2.097 1243 K HA -0.097 4.231 4.320 0.014 0.000 0.206 1243 K C 1.746 178.292 176.600 -0.091 0.000 1.049 1243 K CA 1.626 57.866 56.287 -0.079 0.000 0.933 1243 K CB -0.484 31.954 32.500 -0.103 0.000 0.717 1243 K HN 0.467 nan 8.250 nan 0.000 0.442 1244 I N -0.669 119.838 120.570 -0.105 0.000 2.286 1244 I HA -0.199 3.979 4.170 0.014 0.000 0.245 1244 I C 2.127 178.207 176.117 -0.062 0.000 1.104 1244 I CA 0.677 61.920 61.300 -0.095 0.000 1.397 1244 I CB -0.156 37.782 38.000 -0.103 0.000 1.072 1244 I HN -0.015 nan 8.210 nan 0.000 0.417 1245 V N 0.300 120.185 119.914 -0.048 0.000 2.427 1245 V HA -0.188 3.940 4.120 0.014 0.000 0.248 1245 V C 2.334 178.407 176.094 -0.035 0.000 1.051 1245 V CA 1.595 63.874 62.300 -0.034 0.000 1.048 1245 V CB 0.196 32.007 31.823 -0.020 0.000 0.666 1245 V HN 0.202 nan 8.190 nan 0.000 0.456 1246 V N 0.057 119.948 119.914 -0.039 0.000 2.358 1246 V HA -0.190 3.938 4.120 0.014 0.000 0.246 1246 V C 2.508 178.579 176.094 -0.038 0.000 1.047 1246 V CA 2.227 64.505 62.300 -0.036 0.000 1.035 1246 V CB -0.624 31.176 31.823 -0.038 0.000 0.658 1246 V HN 0.671 nan 8.190 nan 0.000 0.452 1247 E N 0.913 121.085 120.200 -0.046 0.000 2.110 1247 E HA -0.166 4.192 4.350 0.014 0.000 0.193 1247 E C 2.090 178.663 176.600 -0.045 0.000 0.988 1247 E CA 1.620 57.992 56.400 -0.046 0.000 0.804 1247 E CB -0.448 29.218 29.700 -0.056 0.000 0.745 1247 E HN 0.506 nan 8.360 nan 0.000 0.458 1248 A N 0.749 123.540 122.820 -0.047 0.000 1.933 1248 A HA -0.025 4.303 4.320 0.014 0.000 0.218 1248 A C 2.437 179.996 177.584 -0.042 0.000 1.175 1248 A CA 1.894 53.902 52.037 -0.048 0.000 0.628 1248 A CB -0.974 17.997 19.000 -0.048 0.000 0.814 1248 A HN 0.388 nan 8.150 nan 0.000 0.444 1249 A N 0.026 122.824 122.820 -0.037 0.000 1.972 1249 A HA -0.176 4.152 4.320 0.014 0.000 0.219 1249 A C 2.175 179.739 177.584 -0.033 0.000 1.169 1249 A CA 1.468 53.484 52.037 -0.035 0.000 0.635 1249 A CB -0.473 18.508 19.000 -0.032 0.000 0.810 1249 A HN 0.589 nan 8.150 nan 0.000 0.446 1250 R N -0.564 119.917 120.500 -0.032 0.000 2.127 1250 R HA -0.103 4.245 4.340 0.014 0.000 0.238 1250 R C 1.905 178.189 176.300 -0.027 0.000 1.134 1250 R CA 1.555 57.639 56.100 -0.028 0.000 0.975 1250 R CB -0.257 30.027 30.300 -0.027 0.000 0.865 1250 R HN 0.491 nan 8.270 nan 0.000 0.447 1251 R N 0.230 120.710 120.500 -0.032 0.000 2.310 1251 R HA 0.106 4.454 4.340 0.014 0.000 0.202 1251 R C 1.150 177.432 176.300 -0.030 0.000 0.933 1251 R CA 0.410 56.491 56.100 -0.032 0.000 1.054 1251 R CB 0.275 30.551 30.300 -0.040 0.000 0.985 1251 R HN 0.185 nan 8.270 nan 0.000 0.489 1252 L N 0.228 121.432 121.223 -0.031 0.000 2.906 1252 L HA 0.267 4.615 4.340 0.014 0.000 0.255 1252 L C 0.215 177.068 176.870 -0.028 0.000 1.166 1252 L CA -0.181 54.642 54.840 -0.029 0.000 0.977 1252 L CB 0.365 42.404 42.059 -0.034 0.000 1.313 1252 L HN 0.035 nan 8.230 nan 0.000 0.549 1253 L N 0.000 121.208 121.223 -0.026 0.000 2.949 1253 L HA 0.000 4.348 4.340 0.014 0.000 0.249 1253 L CA 0.000 54.825 54.840 -0.025 0.000 0.813 1253 L CB 0.000 42.045 42.059 -0.023 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502