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 1q6p_1_B DATA FIRST_RESID 997 DATA SEQUENCE KLEFMEMEKE FEQIDKSGSW AAIYQDIRHE ASDFPCRVAK LPKNKNRNRY DATA SEQUENCE RDVSPFDHSR IKLHQEDNDY INASLIKMEE AQRSYILTQG PLPNTCGHFW DATA SEQUENCE EMVWEQKSRG VVMLNRVMEK GSLKCAQYWP QKEEKEMIFE DTNLKLTLIS DATA SEQUENCE EDIKSYYTVR QLELENLTTQ ETREILHFHY TTWPDFGVPE SPASFLNFLF DATA SEQUENCE KVRESGSLSP EHGPVVVHCS AGIGRSGTFC LADTCLLLMD KRKDPSSVDI DATA SEQUENCE KKVLLEMRKF RMGLIQTADQ LRFSYLAVIE GAKFIMG 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 997 K HA 0.000 nan 4.320 nan 0.000 0.191 997 K C 0.000 176.701 176.600 0.169 0.000 0.988 997 K CA 0.000 56.346 56.287 0.099 0.000 0.838 997 K CB 0.000 32.514 32.500 0.023 0.000 1.064 998 L N 1.694 122.988 121.223 0.118 0.000 2.129 998 L HA -0.001 4.339 4.340 0.000 0.000 0.212 998 L C 2.293 179.241 176.870 0.130 0.000 1.087 998 L CA 3.213 58.118 54.840 0.109 0.000 0.757 998 L CB -1.369 40.730 42.059 0.067 0.000 0.896 998 L HN 0.746 nan 8.230 nan 0.000 0.434 999 E N -0.770 119.510 120.200 0.133 0.000 2.147 999 E HA -0.282 4.068 4.350 0.000 0.000 0.199 999 E C 2.100 178.699 176.600 -0.001 0.000 1.005 999 E CA 2.052 58.479 56.400 0.045 0.000 0.810 999 E CB -0.252 29.446 29.700 -0.003 0.000 0.736 999 E HN 0.819 nan 8.360 nan 0.000 0.460 1000 F N -0.184 119.779 119.950 0.021 0.000 2.206 1000 F HA -0.124 4.403 4.527 0.000 0.000 0.298 1000 F C 2.906 178.724 175.800 0.030 0.000 1.090 1000 F CA 1.592 59.607 58.000 0.024 0.000 1.323 1000 F CB -0.895 38.115 39.000 0.017 0.000 1.028 1000 F HN 0.092 nan 8.300 nan 0.000 0.492 1001 M N -0.278 119.452 119.600 0.216 0.000 2.260 1001 M HA -0.208 4.272 4.480 0.000 0.000 0.261 1001 M C 1.952 178.313 176.300 0.101 0.000 1.066 1001 M CA 2.420 57.800 55.300 0.133 0.000 1.082 1001 M CB -1.482 31.178 32.600 0.100 0.000 1.388 1001 M HN 0.202 nan 8.290 nan 0.000 0.419 1002 E N 0.025 120.273 120.200 0.081 0.000 2.051 1002 E HA 0.002 4.352 4.350 0.000 0.000 0.189 1002 E C 2.018 178.661 176.600 0.071 0.000 0.979 1002 E CA 1.732 58.167 56.400 0.059 0.000 0.803 1002 E CB -0.347 29.371 29.700 0.030 0.000 0.761 1002 E HN 0.828 nan 8.360 nan 0.000 0.451 1003 M N 0.706 120.338 119.600 0.053 0.000 2.106 1003 M HA -0.213 4.267 4.480 0.000 0.000 0.259 1003 M C 2.013 178.408 176.300 0.159 0.000 1.068 1003 M CA 1.534 56.882 55.300 0.080 0.000 1.100 1003 M CB -0.480 32.127 32.600 0.010 0.000 1.351 1003 M HN 0.088 nan 8.290 nan 0.000 0.404 1004 E N 1.289 121.574 120.200 0.141 0.000 2.023 1004 E HA -0.245 4.105 4.350 0.000 0.000 0.196 1004 E C 1.966 178.684 176.600 0.197 0.000 1.003 1004 E CA 1.898 58.389 56.400 0.152 0.000 0.809 1004 E CB -0.489 29.276 29.700 0.109 0.000 0.755 1004 E HN 0.640 nan 8.360 nan 0.000 0.449 1005 K N 1.579 122.064 120.400 0.142 0.000 2.152 1005 K HA -0.226 4.094 4.320 0.000 0.000 0.206 1005 K C 2.056 178.733 176.600 0.127 0.000 1.048 1005 K CA 1.889 58.250 56.287 0.122 0.000 0.933 1005 K CB -0.125 32.423 32.500 0.081 0.000 0.721 1005 K HN 0.027 nan 8.250 nan 0.000 0.447 1006 E N 0.860 121.141 120.200 0.134 0.000 2.106 1006 E HA -0.210 4.140 4.350 0.000 0.000 0.192 1006 E C 1.830 178.518 176.600 0.146 0.000 0.984 1006 E CA 1.103 57.568 56.400 0.109 0.000 0.806 1006 E CB -0.508 29.254 29.700 0.104 0.000 0.750 1006 E HN 0.460 nan 8.360 nan 0.000 0.458 1007 F N 1.193 121.202 119.950 0.098 0.000 2.134 1007 F HA -0.055 4.472 4.527 0.000 0.000 0.299 1007 F C 1.974 177.843 175.800 0.115 0.000 1.097 1007 F CA 1.908 60.003 58.000 0.159 0.000 1.264 1007 F CB -0.064 39.064 39.000 0.212 0.000 1.001 1007 F HN 0.026 nan 8.300 nan 0.000 0.479 1008 E N -0.115 120.281 120.200 0.325 0.000 2.153 1008 E HA -0.268 4.082 4.350 0.000 0.000 0.194 1008 E C 2.218 178.829 176.600 0.017 0.000 0.988 1008 E CA 1.157 57.667 56.400 0.184 0.000 0.811 1008 E CB -0.290 29.513 29.700 0.172 0.000 0.746 1008 E HN 0.417 nan 8.360 nan 0.000 0.466 1009 Q N 0.944 120.739 119.800 -0.009 0.000 1.993 1009 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 1009 Q C 2.162 178.049 176.000 -0.187 0.000 0.984 1009 Q CA 1.604 57.364 55.803 -0.072 0.000 0.837 1009 Q CB -0.299 28.407 28.738 -0.054 0.000 0.902 1009 Q HN 0.373 nan 8.270 nan 0.000 0.423 1010 I N 1.272 121.651 120.570 -0.317 0.000 2.163 1010 I HA -0.274 3.896 4.170 0.000 0.000 0.243 1010 I C 2.214 177.957 176.117 -0.622 0.000 1.085 1010 I CA 1.481 62.414 61.300 -0.611 0.000 1.347 1010 I CB -0.455 36.898 38.000 -1.079 0.000 1.044 1010 I HN 0.181 nan 8.210 nan 0.000 0.408 1011 D N 1.074 121.215 120.400 -0.431 0.000 2.104 1011 D HA -0.171 4.469 4.640 0.000 0.000 0.194 1011 D C 2.200 178.439 176.300 -0.100 0.000 0.994 1011 D CA 1.213 55.127 54.000 -0.143 0.000 0.830 1011 D CB -0.057 40.728 40.800 -0.026 0.000 0.959 1011 D HN 0.145 nan 8.370 nan 0.000 0.452 1012 K N 0.178 120.523 120.400 -0.091 0.000 2.000 1012 K HA -0.129 4.191 4.320 0.000 0.000 0.218 1012 K C 1.971 178.521 176.600 -0.083 0.000 1.053 1012 K CA 1.673 57.925 56.287 -0.058 0.000 0.946 1012 K CB -0.582 31.890 32.500 -0.047 0.000 0.723 1012 K HN 0.204 nan 8.250 nan 0.000 0.446 1013 S N 0.084 115.705 115.700 -0.132 0.000 2.727 1013 S HA 0.059 4.529 4.470 0.000 0.000 0.226 1013 S C 1.036 175.544 174.600 -0.153 0.000 0.963 1013 S CA 0.460 58.581 58.200 -0.131 0.000 0.950 1013 S CB -0.395 62.718 63.200 -0.145 0.000 0.779 1013 S HN 0.468 nan 8.310 nan 0.000 0.532 1014 G N 1.271 109.972 108.800 -0.164 0.000 2.412 1014 G HA2 -0.261 3.700 3.960 0.000 0.000 0.297 1014 G HA3 -0.261 3.700 3.960 0.000 0.000 0.297 1014 G C 0.388 175.172 174.900 -0.193 0.000 0.965 1014 G CA 0.434 45.454 45.100 -0.133 0.000 1.134 1014 G HN 0.668 nan 8.290 nan 0.000 0.511 1015 S N -1.475 113.986 115.700 -0.399 0.000 2.634 1015 S HA 0.169 4.639 4.470 0.000 0.000 0.221 1015 S C 1.584 175.964 174.600 -0.367 0.000 0.952 1015 S CA 0.253 58.240 58.200 -0.355 0.000 0.930 1015 S CB -0.082 62.883 63.200 -0.391 0.000 0.780 1015 S HN 0.668 nan 8.310 nan 0.000 0.498 1016 W N 2.206 123.431 121.300 -0.125 0.000 2.358 1016 W HA -0.089 4.571 4.660 0.000 0.000 0.303 1016 W C 2.626 179.138 176.519 -0.011 0.000 1.208 1016 W CA 0.746 58.019 57.345 -0.119 0.000 1.274 1016 W CB -0.356 29.013 29.460 -0.151 0.000 1.138 1016 W HN 0.348 nan 8.180 nan 0.000 0.515 1017 A N 0.526 123.462 122.820 0.193 0.000 1.933 1017 A HA -0.105 4.215 4.320 0.000 0.000 0.218 1017 A C 2.041 179.707 177.584 0.137 0.000 1.175 1017 A CA 2.286 54.430 52.037 0.179 0.000 0.628 1017 A CB -1.193 17.873 19.000 0.110 0.000 0.814 1017 A HN 0.218 nan 8.150 nan 0.000 0.444 1018 A N -0.059 122.791 122.820 0.049 0.000 1.873 1018 A HA -0.019 4.301 4.320 0.000 0.000 0.215 1018 A C 2.112 179.716 177.584 0.033 0.000 1.186 1018 A CA 1.401 53.444 52.037 0.010 0.000 0.616 1018 A CB -0.566 18.406 19.000 -0.046 0.000 0.823 1018 A HN 0.483 nan 8.150 nan 0.000 0.442 1019 I N -1.983 118.613 120.570 0.043 0.000 2.179 1019 I HA -0.261 3.909 4.170 0.000 0.000 0.242 1019 I C 2.489 178.715 176.117 0.181 0.000 1.088 1019 I CA 1.721 63.074 61.300 0.088 0.000 1.357 1019 I CB -0.463 37.585 38.000 0.080 0.000 1.051 1019 I HN 0.487 nan 8.210 nan 0.000 0.409 1020 Y N 1.855 122.222 120.300 0.112 0.000 2.128 1020 Y HA -0.345 4.205 4.550 0.000 0.000 0.284 1020 Y C 2.695 178.651 175.900 0.094 0.000 1.154 1020 Y CA 2.163 60.336 58.100 0.121 0.000 1.149 1020 Y CB -0.507 38.029 38.460 0.126 0.000 0.976 1020 Y HN 0.189 nan 8.280 nan 0.000 0.505 1021 Q N 0.395 120.173 119.800 -0.038 0.000 2.119 1021 Q HA -0.178 4.163 4.340 0.000 0.000 0.201 1021 Q C 1.794 177.754 176.000 -0.067 0.000 0.972 1021 Q CA 2.162 57.899 55.803 -0.110 0.000 0.847 1021 Q CB -0.683 28.041 28.738 -0.024 0.000 0.903 1021 Q HN 0.482 nan 8.270 nan 0.000 0.433 1022 D N -0.548 119.841 120.400 -0.017 0.000 2.144 1022 D HA -0.114 4.526 4.640 0.000 0.000 0.199 1022 D C 1.653 177.979 176.300 0.043 0.000 0.984 1022 D CA 1.149 55.160 54.000 0.018 0.000 0.834 1022 D CB -0.113 40.699 40.800 0.020 0.000 0.955 1022 D HN 0.439 nan 8.370 nan 0.000 0.465 1023 I N -0.111 120.463 120.570 0.007 0.000 2.252 1023 I HA -0.175 3.995 4.170 0.000 0.000 0.245 1023 I C 2.483 178.577 176.117 -0.039 0.000 1.102 1023 I CA 0.753 62.062 61.300 0.015 0.000 1.385 1023 I CB -0.087 37.947 38.000 0.057 0.000 1.064 1023 I HN -0.041 nan 8.210 nan 0.000 0.414 1024 R N -0.608 119.800 120.500 -0.153 0.000 2.120 1024 R HA -0.218 4.123 4.340 0.000 0.000 0.234 1024 R C 2.252 178.535 176.300 -0.029 0.000 1.123 1024 R CA 1.452 57.470 56.100 -0.136 0.000 0.975 1024 R CB -0.503 29.658 30.300 -0.232 0.000 0.866 1024 R HN 0.436 nan 8.270 nan 0.000 0.446 1025 H N 0.828 119.848 119.070 -0.084 0.000 2.363 1025 H HA -0.003 4.553 4.556 0.000 0.000 0.301 1025 H C 1.580 176.881 175.328 -0.045 0.000 1.074 1025 H CA 1.257 57.272 56.048 -0.056 0.000 1.354 1025 H CB 0.336 30.068 29.762 -0.049 0.000 1.397 1025 H HN 0.013 nan 8.280 nan 0.000 0.516 1026 E N 0.602 120.807 120.200 0.009 0.000 2.435 1026 E HA 0.132 4.482 4.350 0.000 0.000 0.195 1026 E C 0.699 177.261 176.600 -0.062 0.000 1.029 1026 E CA 0.543 56.919 56.400 -0.040 0.000 0.865 1026 E CB -0.238 29.483 29.700 0.035 0.000 0.833 1026 E HN 0.490 nan 8.360 nan 0.000 0.510 1027 A N 1.622 124.419 122.820 -0.039 0.000 2.561 1027 A HA 0.074 4.394 4.320 0.000 0.000 0.234 1027 A C 0.637 178.182 177.584 -0.064 0.000 1.055 1027 A CA 0.007 52.039 52.037 -0.008 0.000 0.756 1027 A CB 0.173 19.195 19.000 0.037 0.000 0.986 1027 A HN 0.050 nan 8.150 nan 0.000 0.505 1028 S N 0.825 116.493 115.700 -0.055 0.000 2.569 1028 S HA 0.178 4.648 4.470 0.000 0.000 0.274 1028 S C -0.040 174.378 174.600 -0.302 0.000 1.353 1028 S CA 0.137 58.184 58.200 -0.255 0.000 1.023 1028 S CB 0.294 63.382 63.200 -0.187 0.000 0.876 1028 S HN 0.726 nan 8.310 nan 0.000 0.540 1029 D N 0.659 120.664 120.400 -0.659 0.000 2.620 1029 D HA 0.522 5.162 4.640 0.000 0.000 0.252 1029 D C -1.521 174.290 176.300 -0.814 0.000 1.207 1029 D CA -0.260 53.459 54.000 -0.468 0.000 0.884 1029 D CB 0.681 41.309 40.800 -0.287 0.000 1.262 1029 D HN 0.215 nan 8.370 nan 0.000 0.552 1030 F N 2.650 122.325 119.950 -0.459 0.000 2.588 1030 F HA 0.478 5.005 4.527 0.000 0.000 0.314 1030 F C -1.700 174.067 175.800 -0.055 0.000 1.069 1030 F CA -1.618 56.135 58.000 -0.412 0.000 0.931 1030 F CB 1.692 40.221 39.000 -0.786 0.000 1.260 1030 F HN 0.072 nan 8.300 nan 0.000 0.465 1031 P HA 0.130 nan 4.420 nan 0.000 0.272 1031 P C -0.668 176.796 177.300 0.272 0.000 1.223 1031 P CA -0.169 63.050 63.100 0.199 0.000 0.784 1031 P CB 0.989 32.768 31.700 0.131 0.000 0.923 1032 C N 2.416 121.841 119.300 0.209 0.000 2.955 1032 C HA 0.287 4.747 4.460 0.000 0.000 0.229 1032 C C 2.058 177.095 174.990 0.079 0.000 1.842 1032 C CA -0.331 58.794 59.018 0.177 0.000 1.539 1032 C CB -1.218 26.626 27.740 0.173 0.000 2.869 1032 C HN 0.687 nan 8.230 nan 0.000 0.503 1033 R N 0.662 121.201 120.500 0.066 0.000 2.096 1033 R HA -0.124 4.216 4.340 0.000 0.000 0.240 1033 R C 2.047 178.329 176.300 -0.032 0.000 1.139 1033 R CA 1.739 57.851 56.100 0.020 0.000 0.952 1033 R CB -0.273 30.043 30.300 0.027 0.000 0.854 1033 R HN 0.473 nan 8.270 nan 0.000 0.436 1034 V N 0.959 120.854 119.914 -0.033 0.000 2.255 1034 V HA -0.289 3.831 4.120 0.000 0.000 0.247 1034 V C 2.429 178.324 176.094 -0.332 0.000 1.051 1034 V CA 2.036 64.266 62.300 -0.117 0.000 1.018 1034 V CB -0.918 30.886 31.823 -0.032 0.000 0.641 1034 V HN 0.482 nan 8.190 nan 0.000 0.445 1035 A N -0.248 122.378 122.820 -0.323 0.000 1.948 1035 A HA -0.234 4.086 4.320 0.000 0.000 0.220 1035 A C 2.083 179.469 177.584 -0.330 0.000 1.177 1035 A CA 1.842 53.576 52.037 -0.505 0.000 0.636 1035 A CB -0.363 18.593 19.000 -0.073 0.000 0.815 1035 A HN 0.479 nan 8.150 nan 0.000 0.449 1036 K N -0.290 120.010 120.400 -0.166 0.000 2.444 1036 K HA 0.258 4.578 4.320 0.000 0.000 0.193 1036 K C 0.229 176.768 176.600 -0.101 0.000 1.024 1036 K CA -0.114 56.113 56.287 -0.099 0.000 1.077 1036 K CB -0.421 32.057 32.500 -0.036 0.000 0.833 1036 K HN 0.492 nan 8.250 nan 0.000 0.517 1037 L N 2.375 123.514 121.223 -0.140 0.000 2.525 1037 L HA -0.027 4.313 4.340 0.000 0.000 0.278 1037 L C -1.145 175.674 176.870 -0.086 0.000 1.218 1037 L CA -1.012 53.768 54.840 -0.100 0.000 0.878 1037 L CB 0.048 42.042 42.059 -0.108 0.000 1.127 1037 L HN -0.108 nan 8.230 nan 0.000 0.492 1038 P HA -0.211 nan 4.420 nan 0.000 0.216 1038 P C 1.039 178.323 177.300 -0.027 0.000 1.150 1038 P CA 1.341 64.423 63.100 -0.031 0.000 0.843 1038 P CB 0.070 31.759 31.700 -0.017 0.000 0.787 1039 K N -1.613 118.770 120.400 -0.029 0.000 2.515 1039 K HA -0.006 4.314 4.320 0.000 0.000 0.196 1039 K C 0.962 177.556 176.600 -0.011 0.000 1.038 1039 K CA 1.097 57.377 56.287 -0.012 0.000 0.967 1039 K CB -0.457 32.039 32.500 -0.007 0.000 0.780 1039 K HN 0.043 nan 8.250 nan 0.000 0.483 1040 N N 0.966 119.634 118.700 -0.054 0.000 2.184 1040 N HA 0.018 4.758 4.740 0.000 0.000 0.206 1040 N C 0.719 176.220 175.510 -0.014 0.000 1.151 1040 N CA 0.079 53.094 53.050 -0.057 0.000 0.878 1040 N CB 0.573 38.861 38.487 -0.332 0.000 1.014 1040 N HN 0.269 nan 8.380 nan 0.000 0.512 1041 K N 1.822 122.214 120.400 -0.014 0.000 2.063 1041 K HA -0.139 4.181 4.320 0.000 0.000 0.208 1041 K C 1.029 177.650 176.600 0.034 0.000 1.048 1041 K CA 1.589 57.880 56.287 0.006 0.000 0.928 1041 K CB 0.082 32.584 32.500 0.003 0.000 0.713 1041 K HN 0.188 nan 8.250 nan 0.000 0.442 1042 N N 0.416 119.142 118.700 0.043 0.000 2.571 1042 N HA -0.110 4.630 4.740 0.000 0.000 0.189 1042 N C 0.772 176.324 175.510 0.071 0.000 1.154 1042 N CA 0.691 53.769 53.050 0.047 0.000 0.907 1042 N CB -0.111 38.404 38.487 0.045 0.000 0.977 1042 N HN 0.211 nan 8.380 nan 0.000 0.449 1043 R N -0.735 119.834 120.500 0.116 0.000 2.334 1043 R HA 0.220 4.560 4.340 0.000 0.000 0.216 1043 R C -0.456 175.930 176.300 0.143 0.000 0.905 1043 R CA -0.146 56.049 56.100 0.158 0.000 1.064 1043 R CB 0.086 30.544 30.300 0.265 0.000 1.046 1043 R HN 0.180 nan 8.270 nan 0.000 0.508 1044 N N 1.084 119.851 118.700 0.110 0.000 2.417 1044 N HA 0.105 4.845 4.740 0.000 0.000 0.274 1044 N C 0.208 175.698 175.510 -0.034 0.000 0.987 1044 N CA -0.164 52.931 53.050 0.074 0.000 0.912 1044 N CB 2.104 40.654 38.487 0.105 0.000 1.177 1044 N HN 0.042 nan 8.380 nan 0.000 0.490 1045 R N 2.106 122.524 120.500 -0.137 0.000 2.092 1045 R HA -0.026 4.314 4.340 0.000 0.000 0.231 1045 R C -0.369 175.653 176.300 -0.464 0.000 1.119 1045 R CA 1.393 57.268 56.100 -0.375 0.000 0.970 1045 R CB 0.190 30.132 30.300 -0.597 0.000 0.864 1045 R HN 0.462 nan 8.270 nan 0.000 0.440 1046 Y N -0.596 119.721 120.300 0.029 0.000 2.409 1046 Y HA 0.326 4.876 4.550 0.000 0.000 0.343 1046 Y C 0.863 176.783 175.900 0.033 0.000 0.973 1046 Y CA -1.232 56.887 58.100 0.031 0.000 1.064 1046 Y CB 1.447 39.926 38.460 0.031 0.000 1.207 1046 Y HN -0.176 nan 8.280 nan 0.000 0.452 1047 R N 0.611 121.236 120.500 0.210 0.000 2.083 1047 R HA -0.155 4.185 4.340 0.000 0.000 0.237 1047 R C -0.183 176.180 176.300 0.105 0.000 1.137 1047 R CA 2.169 58.341 56.100 0.121 0.000 0.951 1047 R CB 0.058 30.415 30.300 0.095 0.000 0.851 1047 R HN 0.748 nan 8.270 nan 0.000 0.434 1048 D N -0.171 120.294 120.400 0.109 0.000 2.395 1048 D HA 0.116 4.757 4.640 0.000 0.000 0.226 1048 D C -0.831 175.511 176.300 0.070 0.000 1.146 1048 D CA 0.165 54.210 54.000 0.075 0.000 0.830 1048 D CB 0.946 41.777 40.800 0.052 0.000 0.958 1048 D HN -0.051 nan 8.370 nan 0.000 0.501 1049 V N 0.772 120.747 119.914 0.101 0.000 2.380 1049 V HA 0.391 4.511 4.120 0.000 0.000 0.286 1049 V C -0.194 175.941 176.094 0.068 0.000 1.015 1049 V CA -0.461 61.883 62.300 0.074 0.000 0.834 1049 V CB 1.662 33.553 31.823 0.113 0.000 1.009 1049 V HN -0.085 nan 8.190 nan 0.000 0.428 1050 S N 6.093 121.802 115.700 0.014 0.000 2.595 1050 S HA 0.715 5.186 4.470 0.000 0.000 0.281 1050 S C -2.937 171.622 174.600 -0.069 0.000 1.117 1050 S CA -1.167 57.051 58.200 0.029 0.000 0.873 1050 S CB 2.887 66.121 63.200 0.056 0.000 1.108 1050 S HN 0.589 nan 8.310 nan 0.000 0.477 1051 P HA 0.420 nan 4.420 nan 0.000 0.284 1051 P C -1.018 176.281 177.300 -0.001 0.000 1.253 1051 P CA -0.497 62.549 63.100 -0.090 0.000 0.800 1051 P CB 0.299 32.004 31.700 0.009 0.000 0.961 1052 F N 1.329 121.306 119.950 0.044 0.000 2.553 1052 F HA 0.010 4.537 4.527 0.000 0.000 0.356 1052 F C 1.944 177.743 175.800 -0.001 0.000 1.142 1052 F CA 0.317 58.346 58.000 0.048 0.000 1.322 1052 F CB -0.399 38.611 39.000 0.017 0.000 1.126 1052 F HN 0.316 nan 8.300 nan 0.000 0.599 1053 D N 0.278 120.833 120.400 0.259 0.000 2.144 1053 D HA -0.217 4.424 4.640 0.000 0.000 0.199 1053 D C 1.999 178.367 176.300 0.113 0.000 0.984 1053 D CA 2.078 56.172 54.000 0.156 0.000 0.834 1053 D CB -0.478 40.403 40.800 0.135 0.000 0.955 1053 D HN 0.806 nan 8.370 nan 0.000 0.465 1054 H N 0.326 119.422 119.070 0.043 0.000 2.456 1054 H HA 0.017 4.573 4.556 0.000 0.000 0.296 1054 H C 1.502 176.847 175.328 0.030 0.000 1.079 1054 H CA 1.824 57.852 56.048 -0.034 0.000 1.322 1054 H CB -0.119 29.507 29.762 -0.227 0.000 1.388 1054 H HN 0.055 nan 8.280 nan 0.000 0.538 1055 S N 0.303 115.769 115.700 -0.390 0.000 2.629 1055 S HA 0.140 4.610 4.470 0.000 0.000 0.236 1055 S C 0.767 175.346 174.600 -0.036 0.000 1.010 1055 S CA -0.744 57.353 58.200 -0.171 0.000 0.981 1055 S CB -0.022 63.051 63.200 -0.212 0.000 0.919 1055 S HN 0.624 nan 8.310 nan 0.000 0.514 1056 R N 1.230 121.723 120.500 -0.012 0.000 2.694 1056 R HA 0.327 4.667 4.340 0.000 0.000 0.268 1056 R C -0.359 175.943 176.300 0.004 0.000 1.061 1056 R CA -0.469 55.638 56.100 0.011 0.000 1.133 1056 R CB 0.171 30.513 30.300 0.069 0.000 1.020 1056 R HN 0.124 nan 8.270 nan 0.000 0.475 1057 I N 2.345 122.895 120.570 -0.034 0.000 2.365 1057 I HA 0.178 4.348 4.170 0.000 0.000 0.291 1057 I C 0.274 176.367 176.117 -0.039 0.000 1.004 1057 I CA -0.447 60.828 61.300 -0.042 0.000 1.311 1057 I CB 1.260 39.203 38.000 -0.095 0.000 1.401 1057 I HN 0.655 nan 8.210 nan 0.000 0.491 1058 K N 6.650 127.060 120.400 0.017 0.000 2.185 1058 K HA 0.561 4.881 4.320 0.000 0.000 0.269 1058 K C -0.725 175.911 176.600 0.060 0.000 0.987 1058 K CA -0.750 55.565 56.287 0.046 0.000 0.865 1058 K CB 1.899 34.455 32.500 0.094 0.000 1.090 1058 K HN 0.401 nan 8.250 nan 0.000 0.450 1059 L N 3.785 125.015 121.223 0.012 0.000 2.380 1059 L HA 0.104 4.444 4.340 0.000 0.000 0.273 1059 L C 0.831 177.796 176.870 0.158 0.000 1.138 1059 L CA -0.521 54.316 54.840 -0.005 0.000 0.832 1059 L CB 0.252 42.279 42.059 -0.054 0.000 1.124 1059 L HN 0.616 nan 8.230 nan 0.000 0.454 1060 H N 1.013 120.096 119.070 0.021 0.000 2.556 1060 H HA -0.001 4.555 4.556 0.000 0.000 0.273 1060 H C 0.238 175.587 175.328 0.035 0.000 1.030 1060 H CA -0.255 55.812 56.048 0.032 0.000 1.156 1060 H CB -0.630 29.162 29.762 0.050 0.000 1.326 1060 H HN 0.554 nan 8.280 nan 0.000 0.609 1061 Q N 0.181 120.063 119.800 0.137 0.000 2.373 1061 Q HA 0.082 4.422 4.340 0.000 0.000 0.255 1061 Q C 0.901 176.946 176.000 0.076 0.000 0.980 1061 Q CA -0.241 55.618 55.803 0.094 0.000 0.882 1061 Q CB 1.355 30.136 28.738 0.072 0.000 1.249 1061 Q HN 0.147 nan 8.270 nan 0.000 0.438 1062 E N 2.048 122.287 120.200 0.064 0.000 2.012 1062 E HA -0.272 4.079 4.350 0.000 0.000 0.197 1062 E C 0.970 177.596 176.600 0.043 0.000 1.007 1062 E CA 1.922 58.351 56.400 0.050 0.000 0.816 1062 E CB -0.182 29.545 29.700 0.044 0.000 0.762 1062 E HN 0.939 nan 8.360 nan 0.000 0.451 1063 D N 0.840 121.266 120.400 0.043 0.000 2.349 1063 D HA -0.165 4.475 4.640 0.000 0.000 0.215 1063 D C 0.617 176.937 176.300 0.034 0.000 1.075 1063 D CA 1.252 55.276 54.000 0.039 0.000 0.934 1063 D CB 0.022 40.851 40.800 0.048 0.000 1.234 1063 D HN -0.048 nan 8.370 nan 0.000 0.492 1064 N N -0.520 118.197 118.700 0.028 0.000 2.399 1064 N HA 0.112 4.852 4.740 0.000 0.000 0.280 1064 N C -1.080 174.432 175.510 0.004 0.000 1.008 1064 N CA -0.472 52.591 53.050 0.021 0.000 0.894 1064 N CB 1.601 40.100 38.487 0.019 0.000 1.273 1064 N HN 0.201 nan 8.380 nan 0.000 0.486 1065 D N 2.186 122.606 120.400 0.033 0.000 2.328 1065 D HA -0.063 4.578 4.640 0.000 0.000 0.226 1065 D C -0.112 176.200 176.300 0.020 0.000 1.066 1065 D CA -0.042 53.974 54.000 0.027 0.000 0.861 1065 D CB -0.531 40.303 40.800 0.058 0.000 0.912 1065 D HN 0.404 nan 8.370 nan 0.000 0.521 1066 Y N 1.003 121.242 120.300 -0.101 0.000 2.319 1066 Y HA 0.470 5.020 4.550 0.000 0.000 0.328 1066 Y C -0.464 175.341 175.900 -0.159 0.000 1.133 1066 Y CA -0.914 57.124 58.100 -0.103 0.000 1.265 1066 Y CB 0.524 38.940 38.460 -0.073 0.000 1.218 1066 Y HN 0.011 nan 8.280 nan 0.000 0.508 1067 I N 5.949 125.821 120.570 -1.163 0.000 2.775 1067 I HA 0.228 4.398 4.170 0.000 0.000 0.295 1067 I C -1.338 174.139 176.117 -1.067 0.000 1.287 1067 I CA -0.828 59.915 61.300 -0.928 0.000 1.029 1067 I CB 1.643 39.390 38.000 -0.423 0.000 1.282 1067 I HN 0.635 nan 8.210 nan 0.000 0.426 1068 N N 6.324 124.612 118.700 -0.687 0.000 2.671 1068 N HA 0.472 5.212 4.740 0.000 0.000 0.274 1068 N C -1.141 174.253 175.510 -0.194 0.000 1.188 1068 N CA 0.298 53.162 53.050 -0.309 0.000 1.065 1068 N CB 0.238 38.675 38.487 -0.084 0.000 1.415 1068 N HN 0.662 nan 8.380 nan 0.000 0.511 1069 A N 1.421 124.130 122.820 -0.184 0.000 2.574 1069 A HA 0.692 5.012 4.320 0.000 0.000 0.297 1069 A C -1.008 176.526 177.584 -0.083 0.000 1.062 1069 A CA -0.628 51.335 52.037 -0.123 0.000 0.686 1069 A CB 1.276 20.184 19.000 -0.152 0.000 1.285 1069 A HN 0.345 nan 8.150 nan 0.000 0.403 1070 S N 0.230 115.899 115.700 -0.052 0.000 2.536 1070 S HA 0.627 5.097 4.470 0.000 0.000 0.287 1070 S C -1.133 173.469 174.600 0.004 0.000 1.101 1070 S CA -0.496 57.693 58.200 -0.018 0.000 0.950 1070 S CB 1.590 64.784 63.200 -0.010 0.000 1.056 1070 S HN 1.136 nan 8.310 nan 0.000 0.481 1071 L N 3.269 124.504 121.223 0.021 0.000 2.257 1071 L HA 0.609 4.949 4.340 0.000 0.000 0.290 1071 L C -1.493 175.353 176.870 -0.040 0.000 1.044 1071 L CA -0.296 54.544 54.840 -0.001 0.000 0.810 1071 L CB 0.100 42.157 42.059 -0.003 0.000 1.193 1071 L HN 0.504 nan 8.230 nan 0.000 0.425 1072 I N 5.590 126.093 120.570 -0.113 0.000 2.315 1072 I HA 0.388 4.558 4.170 0.000 0.000 0.291 1072 I C -0.043 175.781 176.117 -0.490 0.000 1.006 1072 I CA -0.080 60.985 61.300 -0.393 0.000 1.265 1072 I CB 1.150 39.116 38.000 -0.056 0.000 1.387 1072 I HN 0.548 nan 8.210 nan 0.000 0.475 1073 K N 7.398 127.197 120.400 -1.002 0.000 2.483 1073 K HA 0.498 4.818 4.320 0.000 0.000 0.256 1073 K C -1.280 175.106 176.600 -0.357 0.000 0.961 1073 K CA -0.631 55.364 56.287 -0.485 0.000 0.873 1073 K CB 0.810 33.141 32.500 -0.281 0.000 1.107 1073 K HN 0.375 nan 8.250 nan 0.000 0.432 1074 M N 4.339 123.846 119.600 -0.154 0.000 2.069 1074 M HA 0.138 4.618 4.480 0.000 0.000 0.349 1074 M C 0.701 176.999 176.300 -0.004 0.000 1.194 1074 M CA -0.235 55.053 55.300 -0.020 0.000 1.081 1074 M CB 0.899 33.529 32.600 0.050 0.000 1.500 1074 M HN 0.623 nan 8.290 nan 0.000 0.438 1075 E N 2.009 122.230 120.200 0.036 0.000 2.012 1075 E HA -0.221 4.129 4.350 0.000 0.000 0.197 1075 E C 1.448 178.061 176.600 0.022 0.000 1.007 1075 E CA 1.521 57.940 56.400 0.032 0.000 0.816 1075 E CB -0.034 29.700 29.700 0.058 0.000 0.762 1075 E HN 0.703 nan 8.360 nan 0.000 0.451 1076 E N 0.252 120.473 120.200 0.035 0.000 2.110 1076 E HA -0.141 4.210 4.350 0.000 0.000 0.193 1076 E C 1.850 178.460 176.600 0.018 0.000 0.988 1076 E CA 0.998 57.414 56.400 0.026 0.000 0.804 1076 E CB -0.007 29.714 29.700 0.034 0.000 0.745 1076 E HN 0.188 nan 8.360 nan 0.000 0.458 1077 A N 0.194 123.027 122.820 0.021 0.000 2.067 1077 A HA -0.106 4.214 4.320 0.000 0.000 0.217 1077 A C 0.801 178.377 177.584 -0.015 0.000 1.156 1077 A CA 0.861 52.907 52.037 0.014 0.000 0.683 1077 A CB -0.113 18.908 19.000 0.036 0.000 0.808 1077 A HN 0.403 nan 8.150 nan 0.000 0.455 1078 Q N -2.088 117.696 119.800 -0.026 0.000 2.470 1078 Q HA -0.202 4.138 4.340 0.000 0.000 0.294 1078 Q C -0.129 175.812 176.000 -0.098 0.000 1.356 1078 Q CA 1.017 56.789 55.803 -0.051 0.000 0.805 1078 Q CB -1.323 27.392 28.738 -0.038 0.000 1.157 1078 Q HN 0.686 nan 8.270 nan 0.000 0.431 1079 R N -0.490 119.923 120.500 -0.146 0.000 2.698 1079 R HA 0.697 5.037 4.340 0.000 0.000 0.275 1079 R C -1.409 174.661 176.300 -0.383 0.000 1.001 1079 R CA -0.346 55.577 56.100 -0.295 0.000 0.896 1079 R CB 2.125 32.198 30.300 -0.378 0.000 1.218 1079 R HN 0.060 nan 8.270 nan 0.000 0.462 1080 S N 1.727 117.143 115.700 -0.474 0.000 2.536 1080 S HA 0.699 5.169 4.470 0.000 0.000 0.298 1080 S C -1.722 172.577 174.600 -0.501 0.000 1.083 1080 S CA -0.488 57.488 58.200 -0.373 0.000 0.995 1080 S CB 0.948 64.025 63.200 -0.205 0.000 1.058 1080 S HN 0.432 nan 8.310 nan 0.000 0.488 1081 Y N 0.355 120.608 120.300 -0.077 0.000 2.562 1081 Y HA 0.594 5.144 4.550 0.000 0.000 0.345 1081 Y C -0.408 175.459 175.900 -0.054 0.000 1.045 1081 Y CA -0.966 57.113 58.100 -0.035 0.000 1.028 1081 Y CB 1.020 39.485 38.460 0.009 0.000 1.297 1081 Y HN 0.424 nan 8.280 nan 0.000 0.463 1082 I N 3.537 124.180 120.570 0.122 0.000 2.362 1082 I HA 0.321 4.491 4.170 0.000 0.000 0.289 1082 I C -1.300 174.840 176.117 0.039 0.000 0.994 1082 I CA -0.716 60.603 61.300 0.031 0.000 1.158 1082 I CB 1.252 39.225 38.000 -0.044 0.000 1.315 1082 I HN 0.305 nan 8.210 nan 0.000 0.451 1083 L N 6.127 127.362 121.223 0.019 0.000 2.296 1083 L HA 0.589 4.929 4.340 0.000 0.000 0.286 1083 L C 0.119 176.981 176.870 -0.013 0.000 1.023 1083 L CA 0.132 54.977 54.840 0.009 0.000 0.812 1083 L CB 1.714 43.772 42.059 -0.001 0.000 1.223 1083 L HN 0.523 nan 8.230 nan 0.000 0.421 1084 T N 1.507 116.065 114.554 0.007 0.000 2.838 1084 T HA 0.498 4.848 4.350 0.000 0.000 0.292 1084 T C -1.026 173.673 174.700 -0.001 0.000 1.113 1084 T CA -0.627 61.462 62.100 -0.019 0.000 1.008 1084 T CB 1.422 70.267 68.868 -0.039 0.000 1.259 1084 T HN 0.657 nan 8.240 nan 0.000 0.520 1085 Q N 0.880 120.651 119.800 -0.049 0.000 2.256 1085 Q HA 0.604 4.944 4.340 0.000 0.000 0.232 1085 Q C 0.492 176.387 176.000 -0.175 0.000 0.965 1085 Q CA -0.902 54.871 55.803 -0.050 0.000 0.908 1085 Q CB 0.402 29.105 28.738 -0.059 0.000 1.209 1085 Q HN 0.758 nan 8.270 nan 0.000 0.489 1086 G N 1.985 110.713 108.800 -0.121 0.000 2.340 1086 G HA2 0.259 4.219 3.960 0.000 0.000 0.245 1086 G HA3 0.259 4.219 3.960 0.000 0.000 0.245 1086 G C -2.362 172.317 174.900 -0.369 0.000 1.294 1086 G CA -0.913 44.023 45.100 -0.273 0.000 0.896 1086 G HN 0.474 nan 8.290 nan 0.000 0.522 1087 P HA 0.046 nan 4.420 nan 0.000 0.265 1087 P C 0.081 177.253 177.300 -0.213 0.000 1.187 1087 P CA 0.158 62.980 63.100 -0.464 0.000 0.766 1087 P CB 0.621 31.875 31.700 -0.744 0.000 0.820 1088 L N 6.018 127.152 121.223 -0.148 0.000 2.416 1088 L HA 0.320 4.660 4.340 0.000 0.000 0.262 1088 L C -1.201 175.640 176.870 -0.049 0.000 1.093 1088 L CA -2.001 52.788 54.840 -0.086 0.000 0.801 1088 L CB 0.764 42.782 42.059 -0.069 0.000 1.191 1088 L HN 0.286 nan 8.230 nan 0.000 0.459 1089 P HA -0.155 nan 4.420 nan 0.000 0.217 1089 P C 0.527 177.826 177.300 -0.001 0.000 1.148 1089 P CA 1.240 64.340 63.100 0.000 0.000 0.828 1089 P CB 0.007 31.706 31.700 -0.002 0.000 0.783 1090 N N -1.968 116.722 118.700 -0.016 0.000 2.280 1090 N HA 0.006 4.746 4.740 0.000 0.000 0.192 1090 N C 0.611 176.050 175.510 -0.118 0.000 1.109 1090 N CA 0.870 53.902 53.050 -0.031 0.000 0.855 1090 N CB -0.578 37.916 38.487 0.013 0.000 0.974 1090 N HN 0.172 nan 8.380 nan 0.000 0.482 1091 T N -4.093 110.397 114.554 -0.106 0.000 3.132 1091 T HA 0.236 4.587 4.350 0.000 0.000 0.274 1091 T C 1.524 176.112 174.700 -0.187 0.000 1.011 1091 T CA -0.293 61.724 62.100 -0.139 0.000 0.899 1091 T CB -0.817 68.100 68.868 0.082 0.000 1.089 1091 T HN 0.092 nan 8.240 nan 0.000 0.543 1092 C N 1.655 120.867 119.300 -0.148 0.000 2.429 1092 C HA 0.144 4.604 4.460 0.000 0.000 0.277 1092 C C 3.080 177.895 174.990 -0.291 0.000 1.262 1092 C CA 1.041 59.988 59.018 -0.118 0.000 1.733 1092 C CB -1.317 26.523 27.740 0.167 0.000 2.010 1092 C HN 0.775 nan 8.230 nan 0.000 0.483 1093 G N -0.118 108.504 108.800 -0.297 0.000 2.418 1093 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 1093 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 1093 G C 1.264 176.073 174.900 -0.150 0.000 1.158 1093 G CA 0.994 45.918 45.100 -0.294 0.000 0.771 1093 G HN 0.632 nan 8.290 nan 0.000 0.545 1094 H N -0.465 118.565 119.070 -0.066 0.000 2.353 1094 H HA -0.046 4.510 4.556 0.000 0.000 0.300 1094 H C 2.196 177.447 175.328 -0.130 0.000 1.090 1094 H CA 1.013 57.013 56.048 -0.080 0.000 1.327 1094 H CB -0.832 28.878 29.762 -0.086 0.000 1.383 1094 H HN 0.421 nan 8.280 nan 0.000 0.508 1095 F N 0.431 120.241 119.950 -0.233 0.000 2.075 1095 F HA -0.212 4.315 4.527 0.000 0.000 0.297 1095 F C 2.009 177.524 175.800 -0.475 0.000 1.113 1095 F CA 1.376 59.105 58.000 -0.452 0.000 1.218 1095 F CB -0.543 38.030 39.000 -0.713 0.000 0.984 1095 F HN 0.030 nan 8.300 nan 0.000 0.472 1096 W N 0.915 122.193 121.300 -0.037 0.000 2.425 1096 W HA -0.072 4.588 4.660 0.000 0.000 0.277 1096 W C 2.547 179.023 176.519 -0.072 0.000 1.231 1096 W CA 1.137 58.432 57.345 -0.085 0.000 1.248 1096 W CB -0.513 28.872 29.460 -0.126 0.000 1.117 1096 W HN 0.152 nan 8.180 nan 0.000 0.568 1097 E N 0.788 121.038 120.200 0.084 0.000 2.110 1097 E HA -0.294 4.056 4.350 0.000 0.000 0.193 1097 E C 2.114 178.721 176.600 0.012 0.000 0.988 1097 E CA 1.622 58.073 56.400 0.085 0.000 0.804 1097 E CB -0.319 29.416 29.700 0.059 0.000 0.745 1097 E HN 0.338 nan 8.360 nan 0.000 0.458 1098 M N 0.212 119.731 119.600 -0.135 0.000 2.132 1098 M HA -0.136 4.344 4.480 0.000 0.000 0.263 1098 M C 2.028 178.196 176.300 -0.220 0.000 1.065 1098 M CA 1.221 56.385 55.300 -0.227 0.000 1.122 1098 M CB 0.085 32.484 32.600 -0.334 0.000 1.365 1098 M HN 0.047 nan 8.290 nan 0.000 0.411 1099 V N 0.123 119.878 119.914 -0.265 0.000 2.332 1099 V HA -0.309 3.811 4.120 0.000 0.000 0.248 1099 V C 2.140 178.240 176.094 0.009 0.000 1.055 1099 V CA 2.174 64.380 62.300 -0.157 0.000 1.038 1099 V CB -1.049 30.753 31.823 -0.035 0.000 0.651 1099 V HN 0.760 nan 8.190 nan 0.000 0.450 1100 W N 1.141 122.427 121.300 -0.024 0.000 2.381 1100 W HA -0.155 4.506 4.660 0.000 0.000 0.321 1100 W C 2.423 178.912 176.519 -0.049 0.000 1.196 1100 W CA 1.989 59.334 57.345 0.001 0.000 1.304 1100 W CB -0.309 29.168 29.460 0.029 0.000 1.166 1100 W HN 0.325 nan 8.180 nan 0.000 0.473 1101 E N -0.201 120.041 120.200 0.069 0.000 2.130 1101 E HA -0.275 4.075 4.350 0.000 0.000 0.196 1101 E C 1.945 178.447 176.600 -0.163 0.000 0.998 1101 E CA 1.410 57.745 56.400 -0.108 0.000 0.806 1101 E CB -0.269 29.184 29.700 -0.412 0.000 0.738 1101 E HN 0.237 nan 8.360 nan 0.000 0.459 1102 Q N 0.091 119.794 119.800 -0.163 0.000 2.403 1102 Q HA 0.037 4.377 4.340 0.000 0.000 0.203 1102 Q C 0.042 175.966 176.000 -0.126 0.000 0.932 1102 Q CA 0.265 55.995 55.803 -0.123 0.000 0.945 1102 Q CB 0.388 29.052 28.738 -0.124 0.000 1.045 1102 Q HN 0.227 nan 8.270 nan 0.000 0.511 1103 K N 0.398 120.681 120.400 -0.194 0.000 3.069 1103 K HA -0.114 4.206 4.320 0.000 0.000 0.267 1103 K C -0.478 176.046 176.600 -0.127 0.000 1.082 1103 K CA 0.367 56.525 56.287 -0.214 0.000 0.782 1103 K CB -1.794 30.609 32.500 -0.162 0.000 1.230 1103 K HN 0.110 nan 8.250 nan 0.000 0.488 1104 S N 0.158 115.792 115.700 -0.109 0.000 2.579 1104 S HA 0.167 4.637 4.470 0.000 0.000 0.275 1104 S C 1.184 175.738 174.600 -0.077 0.000 1.345 1104 S CA -0.358 57.801 58.200 -0.068 0.000 1.031 1104 S CB 1.612 64.771 63.200 -0.068 0.000 0.892 1104 S HN 0.425 nan 8.310 nan 0.000 0.529 1105 R N 0.776 121.209 120.500 -0.111 0.000 2.344 1105 R HA 0.296 4.636 4.340 0.000 0.000 0.209 1105 R C 0.516 176.806 176.300 -0.016 0.000 0.886 1105 R CA 0.523 56.507 56.100 -0.193 0.000 1.040 1105 R CB 0.174 30.072 30.300 -0.670 0.000 1.114 1105 R HN 0.700 nan 8.270 nan 0.000 0.547 1106 G N -0.501 108.336 108.800 0.063 0.000 2.612 1106 G HA2 0.572 4.532 3.960 0.000 0.000 0.298 1106 G HA3 0.572 4.532 3.960 0.000 0.000 0.298 1106 G C -1.755 173.269 174.900 0.208 0.000 1.336 1106 G CA -0.468 44.759 45.100 0.213 0.000 0.953 1106 G HN -0.011 nan 8.290 nan 0.000 0.482 1107 V N 0.848 120.936 119.914 0.290 0.000 2.531 1107 V HA 0.514 4.634 4.120 0.000 0.000 0.301 1107 V C -0.468 175.720 176.094 0.156 0.000 1.034 1107 V CA -0.699 61.748 62.300 0.245 0.000 0.865 1107 V CB 1.813 33.890 31.823 0.425 0.000 0.995 1107 V HN 0.578 nan 8.190 nan 0.000 0.424 1108 V N 5.958 125.900 119.914 0.046 0.000 2.357 1108 V HA 0.492 4.612 4.120 0.000 0.000 0.284 1108 V C -0.095 175.844 176.094 -0.258 0.000 1.018 1108 V CA -0.327 61.928 62.300 -0.075 0.000 0.841 1108 V CB 1.535 33.195 31.823 -0.271 0.000 0.991 1108 V HN 0.902 nan 8.190 nan 0.000 0.437 1109 M N 5.777 125.171 119.600 -0.343 0.000 2.205 1109 M HA 0.523 5.003 4.480 0.000 0.000 0.344 1109 M C -0.510 175.607 176.300 -0.306 0.000 1.085 1109 M CA -0.402 54.526 55.300 -0.620 0.000 1.001 1109 M CB 1.293 33.490 32.600 -0.672 0.000 1.626 1109 M HN 0.594 nan 8.290 nan 0.000 0.442 1110 L N 3.989 124.994 121.223 -0.363 0.000 2.906 1110 L HA 0.265 4.605 4.340 0.000 0.000 0.255 1110 L C 0.363 177.183 176.870 -0.082 0.000 1.166 1110 L CA -0.458 54.276 54.840 -0.177 0.000 0.977 1110 L CB -0.494 41.321 42.059 -0.406 0.000 1.313 1110 L HN 0.695 nan 8.230 nan 0.000 0.549 1111 N N -0.276 118.393 118.700 -0.052 0.000 2.989 1111 N HA 0.469 5.209 4.740 0.000 0.000 0.338 1111 N C -0.507 175.163 175.510 0.266 0.000 1.369 1111 N CA -0.748 52.336 53.050 0.057 0.000 0.794 1111 N CB 1.227 39.717 38.487 0.005 0.000 1.359 1111 N HN -0.165 nan 8.380 nan 0.000 0.609 1112 R N -0.509 120.136 120.500 0.241 0.000 2.750 1112 R HA 0.426 4.767 4.340 0.000 0.000 0.281 1112 R C -0.946 175.500 176.300 0.244 0.000 0.972 1112 R CA -0.875 55.412 56.100 0.311 0.000 0.912 1112 R CB 2.075 32.510 30.300 0.224 0.000 1.187 1112 R HN 0.393 nan 8.270 nan 0.000 0.464 1113 V N 4.616 124.692 119.914 0.270 0.000 2.421 1113 V HA 0.139 4.259 4.120 0.000 0.000 0.271 1113 V C 0.669 176.827 176.094 0.106 0.000 1.031 1113 V CA 0.653 63.057 62.300 0.173 0.000 1.032 1113 V CB 0.239 32.126 31.823 0.106 0.000 1.009 1113 V HN 0.538 nan 8.190 nan 0.000 0.477 1114 M N 3.826 123.479 119.600 0.088 0.000 2.578 1114 M HA 0.458 4.938 4.480 0.000 0.000 0.321 1114 M C 0.578 176.902 176.300 0.040 0.000 1.182 1114 M CA -0.384 54.954 55.300 0.064 0.000 0.965 1114 M CB 2.472 35.116 32.600 0.073 0.000 1.694 1114 M HN 0.524 nan 8.290 nan 0.000 0.461 1115 E N 0.898 121.114 120.200 0.028 0.000 2.601 1115 E HA 0.213 4.563 4.350 0.000 0.000 0.219 1115 E C -0.771 175.840 176.600 0.018 0.000 0.964 1115 E CA 0.233 56.642 56.400 0.014 0.000 1.050 1115 E CB 1.094 30.795 29.700 0.001 0.000 1.068 1115 E HN 0.512 nan 8.360 nan 0.000 0.496 1116 K N -0.690 119.727 120.400 0.029 0.000 2.509 1116 K HA 0.607 4.928 4.320 0.000 0.000 0.266 1116 K C 0.024 176.651 176.600 0.045 0.000 0.987 1116 K CA -0.329 55.977 56.287 0.031 0.000 0.868 1116 K CB 2.291 34.808 32.500 0.027 0.000 1.421 1116 K HN 0.130 nan 8.250 nan 0.000 0.444 1117 G N 0.473 109.301 108.800 0.047 0.000 2.584 1117 G HA2 -0.261 3.699 3.960 0.000 0.000 0.229 1117 G HA3 -0.261 3.699 3.960 0.000 0.000 0.229 1117 G C 0.329 175.275 174.900 0.077 0.000 1.320 1117 G CA 0.107 45.243 45.100 0.061 0.000 0.891 1117 G HN 0.483 nan 8.290 nan 0.000 0.573 1118 S N -0.649 115.115 115.700 0.107 0.000 2.527 1118 S HA 0.276 4.746 4.470 0.000 0.000 0.225 1118 S C 1.375 176.094 174.600 0.198 0.000 1.046 1118 S CA 0.295 58.589 58.200 0.157 0.000 0.929 1118 S CB 0.007 63.319 63.200 0.187 0.000 0.851 1118 S HN 0.546 nan 8.310 nan 0.000 0.565 1119 L N 4.556 125.896 121.223 0.195 0.000 2.450 1119 L HA 0.134 4.475 4.340 0.000 0.000 0.256 1119 L C 0.580 177.529 176.870 0.131 0.000 1.374 1119 L CA 0.612 55.570 54.840 0.197 0.000 1.210 1119 L CB -1.709 40.441 42.059 0.152 0.000 1.394 1119 L HN 0.440 nan 8.230 nan 0.000 0.438 1120 K N 0.381 120.844 120.400 0.104 0.000 2.401 1120 K HA 0.778 5.098 4.320 0.000 0.000 0.255 1120 K C -0.474 176.159 176.600 0.055 0.000 1.062 1120 K CA -0.767 55.561 56.287 0.069 0.000 0.999 1120 K CB 2.048 34.574 32.500 0.042 0.000 1.415 1120 K HN 0.158 nan 8.250 nan 0.000 0.576 1121 C N -0.381 118.947 119.300 0.047 0.000 3.175 1121 C HA 0.548 5.008 4.460 0.000 0.000 0.399 1121 C C -1.116 173.907 174.990 0.055 0.000 1.053 1121 C CA -0.258 58.792 59.018 0.054 0.000 1.102 1121 C CB 0.619 28.439 27.740 0.132 0.000 1.488 1121 C HN 1.003 nan 8.230 nan 0.000 0.580 1122 A N 3.350 126.195 122.820 0.042 0.000 2.351 1122 A HA 0.592 4.912 4.320 0.000 0.000 0.257 1122 A C 0.048 177.670 177.584 0.064 0.000 1.087 1122 A CA 0.022 52.081 52.037 0.037 0.000 0.798 1122 A CB 0.427 19.444 19.000 0.029 0.000 1.033 1122 A HN 1.095 nan 8.150 nan 0.000 0.488 1123 Q N 1.344 121.100 119.800 -0.074 0.000 2.534 1123 Q HA 0.243 4.583 4.340 0.000 0.000 0.223 1123 Q C -0.226 175.640 176.000 -0.223 0.000 1.239 1123 Q CA 0.300 55.902 55.803 -0.336 0.000 0.936 1123 Q CB -0.522 27.982 28.738 -0.389 0.000 1.457 1123 Q HN 0.719 nan 8.270 nan 0.000 0.547 1124 Y N 1.481 121.766 120.300 -0.025 0.000 2.490 1124 Y HA 0.305 4.855 4.550 0.000 0.000 0.281 1124 Y C -0.583 175.668 175.900 0.585 0.000 1.174 1124 Y CA -1.143 57.111 58.100 0.258 0.000 1.295 1124 Y CB -0.336 38.175 38.460 0.085 0.000 1.062 1124 Y HN 0.427 nan 8.280 nan 0.000 0.522 1125 W N 0.133 121.306 121.300 -0.211 0.000 2.864 1125 W HA 0.785 5.446 4.660 0.000 0.000 0.343 1125 W C -3.254 173.180 176.519 -0.141 0.000 1.109 1125 W CA -3.464 53.801 57.345 -0.133 0.000 1.192 1125 W CB 0.689 29.949 29.460 -0.334 0.000 1.426 1125 W HN -0.344 nan 8.180 nan 0.000 0.529 1126 P HA 0.090 nan 4.420 nan 0.000 0.271 1126 P C 0.123 177.343 177.300 -0.134 0.000 1.220 1126 P CA 0.166 63.178 63.100 -0.146 0.000 0.768 1126 P CB 1.209 32.865 31.700 -0.073 0.000 0.848 1127 Q N 1.296 120.971 119.800 -0.208 0.000 2.269 1127 Q HA 0.026 4.367 4.340 0.000 0.000 0.201 1127 Q C 0.120 176.099 176.000 -0.035 0.000 0.946 1127 Q CA 1.004 56.736 55.803 -0.117 0.000 0.877 1127 Q CB 0.162 28.800 28.738 -0.166 0.000 0.963 1127 Q HN 0.474 nan 8.270 nan 0.000 0.472 1128 K N 0.146 120.514 120.400 -0.054 0.000 2.292 1128 K HA 0.169 4.489 4.320 0.000 0.000 0.257 1128 K C -0.156 176.424 176.600 -0.033 0.000 0.940 1128 K CA -0.329 55.937 56.287 -0.036 0.000 0.811 1128 K CB 1.737 34.209 32.500 -0.046 0.000 1.120 1128 K HN -0.136 nan 8.250 nan 0.000 0.428 1129 E N 1.712 121.900 120.200 -0.020 0.000 2.086 1129 E HA -0.276 4.074 4.350 0.000 0.000 0.200 1129 E C 1.531 178.110 176.600 -0.035 0.000 1.012 1129 E CA 1.887 58.274 56.400 -0.022 0.000 0.812 1129 E CB 0.162 29.852 29.700 -0.016 0.000 0.743 1129 E HN 0.608 nan 8.360 nan 0.000 0.453 1130 E N 0.459 120.637 120.200 -0.037 0.000 2.427 1130 E HA -0.113 4.237 4.350 0.000 0.000 0.196 1130 E C -0.080 176.487 176.600 -0.055 0.000 1.028 1130 E CA 0.668 57.043 56.400 -0.042 0.000 0.864 1130 E CB 0.148 29.826 29.700 -0.036 0.000 0.813 1130 E HN 0.034 nan 8.360 nan 0.000 0.514 1131 K N 3.080 123.442 120.400 -0.064 0.000 2.432 1131 K HA 0.129 4.449 4.320 0.000 0.000 0.226 1131 K C 0.318 176.857 176.600 -0.102 0.000 1.057 1131 K CA -0.256 55.981 56.287 -0.083 0.000 1.034 1131 K CB 0.959 33.407 32.500 -0.087 0.000 1.561 1131 K HN 0.232 nan 8.250 nan 0.000 0.492 1132 E N 2.701 122.837 120.200 -0.106 0.000 2.392 1132 E HA 0.177 4.528 4.350 0.000 0.000 0.256 1132 E C -0.488 175.998 176.600 -0.190 0.000 1.145 1132 E CA -0.183 56.139 56.400 -0.130 0.000 0.929 1132 E CB 0.935 30.567 29.700 -0.114 0.000 0.998 1132 E HN 0.242 nan 8.360 nan 0.000 0.442 1133 M N 1.338 120.782 119.600 -0.259 0.000 2.364 1133 M HA 0.373 4.853 4.480 0.000 0.000 0.334 1133 M C -0.877 175.088 176.300 -0.557 0.000 1.107 1133 M CA -1.004 54.029 55.300 -0.444 0.000 0.988 1133 M CB 1.468 33.730 32.600 -0.564 0.000 1.673 1133 M HN 0.399 nan 8.290 nan 0.000 0.441 1134 I N 2.986 123.219 120.570 -0.561 0.000 2.389 1134 I HA 0.328 4.499 4.170 0.000 0.000 0.288 1134 I C -1.173 174.644 176.117 -0.500 0.000 0.999 1134 I CA -0.031 61.021 61.300 -0.413 0.000 1.129 1134 I CB 1.113 38.987 38.000 -0.210 0.000 1.288 1134 I HN 0.415 nan 8.210 nan 0.000 0.444 1135 F N 5.322 125.259 119.950 -0.022 0.000 2.334 1135 F HA 0.327 4.854 4.527 0.000 0.000 0.365 1135 F C 1.550 177.345 175.800 -0.007 0.000 1.124 1135 F CA -0.455 57.548 58.000 0.005 0.000 1.166 1135 F CB 0.630 39.664 39.000 0.057 0.000 1.355 1135 F HN 0.489 nan 8.300 nan 0.000 0.532 1136 E N 1.940 122.194 120.200 0.090 0.000 2.055 1136 E HA -0.307 4.043 4.350 0.000 0.000 0.209 1136 E C 1.975 178.618 176.600 0.071 0.000 1.036 1136 E CA 2.488 58.919 56.400 0.052 0.000 0.849 1136 E CB -0.067 29.650 29.700 0.028 0.000 0.767 1136 E HN 0.699 nan 8.360 nan 0.000 0.461 1137 D N -1.100 119.351 120.400 0.086 0.000 2.116 1137 D HA -0.178 4.463 4.640 0.000 0.000 0.193 1137 D C 1.724 178.077 176.300 0.088 0.000 0.998 1137 D CA 2.414 56.462 54.000 0.080 0.000 0.836 1137 D CB -1.167 39.677 40.800 0.073 0.000 0.951 1137 D HN 0.400 nan 8.370 nan 0.000 0.449 1138 T N -4.307 110.313 114.554 0.109 0.000 3.086 1138 T HA 0.105 4.455 4.350 0.000 0.000 0.250 1138 T C 0.571 175.305 174.700 0.058 0.000 1.074 1138 T CA 0.136 62.291 62.100 0.090 0.000 0.988 1138 T CB -0.610 68.316 68.868 0.097 0.000 0.988 1138 T HN 0.161 nan 8.240 nan 0.000 0.530 1139 N N 0.540 119.281 118.700 0.067 0.000 2.738 1139 N HA -0.131 4.609 4.740 0.000 0.000 0.249 1139 N C -0.984 174.520 175.510 -0.011 0.000 1.047 1139 N CA 0.334 53.395 53.050 0.019 0.000 0.707 1139 N CB -1.909 36.569 38.487 -0.015 0.000 0.937 1139 N HN 0.690 nan 8.380 nan 0.000 0.545 1140 L N -0.430 120.841 121.223 0.080 0.000 2.341 1140 L HA 0.536 4.876 4.340 0.000 0.000 0.267 1140 L C 0.349 177.282 176.870 0.105 0.000 1.009 1140 L CA -0.882 53.999 54.840 0.068 0.000 0.819 1140 L CB 1.986 44.142 42.059 0.161 0.000 1.323 1140 L HN 0.077 nan 8.230 nan 0.000 0.425 1141 K N 2.256 122.660 120.400 0.007 0.000 2.397 1141 K HA 0.645 4.965 4.320 0.000 0.000 0.253 1141 K C -1.910 174.649 176.600 -0.067 0.000 0.932 1141 K CA -0.672 55.580 56.287 -0.058 0.000 0.795 1141 K CB 2.148 34.599 32.500 -0.082 0.000 1.159 1141 K HN 0.370 nan 8.250 nan 0.000 0.424 1142 L N 2.670 123.817 121.223 -0.127 0.000 2.385 1142 L HA 0.536 4.877 4.340 0.000 0.000 0.273 1142 L C -1.467 175.313 176.870 -0.150 0.000 0.990 1142 L CA 0.108 54.844 54.840 -0.173 0.000 0.821 1142 L CB 2.324 44.228 42.059 -0.258 0.000 1.279 1142 L HN 0.645 nan 8.230 nan 0.000 0.412 1143 T N 5.474 119.958 114.554 -0.117 0.000 2.881 1143 T HA 0.392 4.742 4.350 0.000 0.000 0.290 1143 T C -0.722 173.947 174.700 -0.051 0.000 1.000 1143 T CA -0.435 61.618 62.100 -0.078 0.000 0.978 1143 T CB 1.494 70.327 68.868 -0.058 0.000 0.997 1143 T HN 0.588 nan 8.240 nan 0.000 0.443 1144 L N 5.195 126.401 121.223 -0.027 0.000 2.418 1144 L HA 0.234 4.574 4.340 0.000 0.000 0.274 1144 L C 0.338 177.203 176.870 -0.007 0.000 1.135 1144 L CA -0.276 54.566 54.840 0.003 0.000 0.870 1144 L CB 0.234 42.313 42.059 0.034 0.000 1.154 1144 L HN 0.674 nan 8.230 nan 0.000 0.462 1145 I N 2.510 123.075 120.570 -0.007 0.000 3.081 1145 I HA 0.074 4.244 4.170 0.000 0.000 0.274 1145 I C 0.881 176.996 176.117 -0.004 0.000 1.178 1145 I CA 0.789 62.085 61.300 -0.007 0.000 1.460 1145 I CB -0.247 37.749 38.000 -0.006 0.000 1.137 1145 I HN 0.704 nan 8.210 nan 0.000 0.443 1146 S N 0.886 116.585 115.700 -0.002 0.000 2.633 1146 S HA 0.493 4.963 4.470 0.000 0.000 0.271 1146 S C -1.115 173.484 174.600 -0.001 0.000 1.112 1146 S CA -0.933 57.266 58.200 -0.001 0.000 0.828 1146 S CB 2.001 65.198 63.200 -0.005 0.000 1.086 1146 S HN 0.286 nan 8.310 nan 0.000 0.461 1147 E N 0.376 120.578 120.200 0.003 0.000 2.321 1147 E HA 0.508 4.858 4.350 0.000 0.000 0.281 1147 E C -2.218 174.380 176.600 -0.004 0.000 0.910 1147 E CA -0.700 55.703 56.400 0.005 0.000 0.770 1147 E CB 1.781 31.503 29.700 0.035 0.000 1.225 1147 E HN 0.429 nan 8.360 nan 0.000 0.417 1148 D N 4.080 124.473 120.400 -0.012 0.000 2.427 1148 D HA 0.299 4.939 4.640 0.000 0.000 0.226 1148 D C -0.966 175.292 176.300 -0.071 0.000 1.076 1148 D CA -0.591 53.389 54.000 -0.034 0.000 0.849 1148 D CB 0.710 41.497 40.800 -0.023 0.000 1.052 1148 D HN 0.418 nan 8.370 nan 0.000 0.515 1149 I N 3.771 124.289 120.570 -0.087 0.000 2.395 1149 I HA 0.203 4.374 4.170 0.000 0.000 0.289 1149 I C 1.037 177.012 176.117 -0.237 0.000 1.023 1149 I CA 0.013 61.231 61.300 -0.137 0.000 1.350 1149 I CB 0.830 38.776 38.000 -0.091 0.000 1.409 1149 I HN 0.123 nan 8.210 nan 0.000 0.507 1150 K N 3.224 123.386 120.400 -0.397 0.000 2.331 1150 K HA 0.453 4.773 4.320 0.000 0.000 0.238 1150 K C 1.003 177.313 176.600 -0.483 0.000 1.058 1150 K CA -0.508 55.468 56.287 -0.519 0.000 0.871 1150 K CB 1.360 33.334 32.500 -0.877 0.000 1.292 1150 K HN 0.537 nan 8.250 nan 0.000 0.470 1151 S N -0.009 115.394 115.700 -0.494 0.000 2.370 1151 S HA -0.213 4.257 4.470 0.000 0.000 0.226 1151 S C 1.627 176.058 174.600 -0.282 0.000 1.033 1151 S CA 1.463 59.469 58.200 -0.324 0.000 1.011 1151 S CB -0.589 62.490 63.200 -0.201 0.000 0.852 1151 S HN 0.702 nan 8.310 nan 0.000 0.457 1152 Y N 0.281 120.442 120.300 -0.230 0.000 2.557 1152 Y HA 0.641 5.191 4.550 0.000 0.000 0.247 1152 Y C 0.012 175.690 175.900 -0.370 0.000 1.164 1152 Y CA -2.169 55.752 58.100 -0.298 0.000 1.218 1152 Y CB -0.697 37.575 38.460 -0.313 0.000 1.210 1152 Y HN 0.435 nan 8.280 nan 0.000 0.529 1153 Y N -2.415 117.701 120.300 -0.306 0.000 2.620 1153 Y HA 0.740 5.290 4.550 0.000 0.000 0.331 1153 Y C -1.538 174.324 175.900 -0.063 0.000 1.173 1153 Y CA -1.934 56.075 58.100 -0.152 0.000 1.076 1153 Y CB 0.894 39.408 38.460 0.090 0.000 1.336 1153 Y HN -0.102 nan 8.280 nan 0.000 0.459 1154 T N 2.638 117.324 114.554 0.219 0.000 2.861 1154 T HA 0.645 4.995 4.350 0.000 0.000 0.287 1154 T C -1.333 173.527 174.700 0.267 0.000 1.003 1154 T CA -0.767 61.407 62.100 0.123 0.000 0.977 1154 T CB 1.808 70.713 68.868 0.061 0.000 0.996 1154 T HN 0.624 nan 8.240 nan 0.000 0.448 1155 V N 3.947 123.953 119.914 0.153 0.000 2.417 1155 V HA 0.560 4.681 4.120 0.000 0.000 0.291 1155 V C 0.057 176.114 176.094 -0.061 0.000 1.024 1155 V CA -0.851 61.449 62.300 0.000 0.000 0.861 1155 V CB 1.287 33.117 31.823 0.011 0.000 0.985 1155 V HN 0.715 nan 8.190 nan 0.000 0.436 1156 R N 3.108 123.541 120.500 -0.112 0.000 2.803 1156 R HA 0.623 4.963 4.340 0.000 0.000 0.276 1156 R C -0.856 175.382 176.300 -0.102 0.000 0.978 1156 R CA -0.797 55.261 56.100 -0.070 0.000 0.939 1156 R CB 2.426 32.690 30.300 -0.059 0.000 1.179 1156 R HN 0.723 nan 8.270 nan 0.000 0.472 1157 Q N 2.832 122.597 119.800 -0.059 0.000 2.333 1157 Q HA 0.453 4.793 4.340 0.000 0.000 0.265 1157 Q C -1.416 174.570 176.000 -0.023 0.000 0.989 1157 Q CA -0.454 55.323 55.803 -0.043 0.000 0.842 1157 Q CB 1.045 29.765 28.738 -0.030 0.000 1.262 1157 Q HN 0.487 nan 8.270 nan 0.000 0.451 1158 L N 2.223 123.439 121.223 -0.012 0.000 2.323 1158 L HA 0.601 4.942 4.340 0.000 0.000 0.265 1158 L C -0.623 176.242 176.870 -0.009 0.000 1.012 1158 L CA -0.862 53.965 54.840 -0.022 0.000 0.820 1158 L CB 2.276 44.308 42.059 -0.045 0.000 1.334 1158 L HN 0.627 nan 8.230 nan 0.000 0.427 1159 E N 1.801 121.986 120.200 -0.026 0.000 2.185 1159 E HA 0.409 4.759 4.350 0.000 0.000 0.261 1159 E C -1.732 174.860 176.600 -0.012 0.000 0.879 1159 E CA -0.803 55.599 56.400 0.003 0.000 0.756 1159 E CB 1.945 31.648 29.700 0.005 0.000 1.152 1159 E HN 0.332 nan 8.360 nan 0.000 0.416 1160 L N 4.298 125.557 121.223 0.060 0.000 2.282 1160 L HA 0.428 4.768 4.340 0.000 0.000 0.288 1160 L C -0.830 176.133 176.870 0.155 0.000 1.033 1160 L CA -0.096 54.799 54.840 0.092 0.000 0.807 1160 L CB 1.445 43.648 42.059 0.241 0.000 1.209 1160 L HN 0.614 nan 8.230 nan 0.000 0.423 1161 E N 3.899 124.103 120.200 0.007 0.000 2.210 1161 E HA 0.232 4.582 4.350 0.000 0.000 0.266 1161 E C -1.113 175.295 176.600 -0.320 0.000 0.883 1161 E CA -0.758 55.589 56.400 -0.089 0.000 0.761 1161 E CB 1.139 30.805 29.700 -0.056 0.000 1.156 1161 E HN 0.615 nan 8.360 nan 0.000 0.412 1162 N N 5.601 123.924 118.700 -0.627 0.000 2.402 1162 N HA 0.067 4.807 4.740 0.000 0.000 0.252 1162 N C 0.895 176.205 175.510 -0.333 0.000 1.118 1162 N CA 0.098 52.700 53.050 -0.748 0.000 0.945 1162 N CB 0.697 38.510 38.487 -1.123 0.000 1.147 1162 N HN 0.697 nan 8.380 nan 0.000 0.495 1163 L N 2.295 123.382 121.223 -0.226 0.000 2.131 1163 L HA -0.155 4.185 4.340 0.000 0.000 0.210 1163 L C 1.900 178.709 176.870 -0.102 0.000 1.092 1163 L CA 1.018 55.782 54.840 -0.127 0.000 0.759 1163 L CB -0.357 41.648 42.059 -0.089 0.000 0.903 1163 L HN 0.498 nan 8.230 nan 0.000 0.435 1164 T N -1.219 113.263 114.554 -0.119 0.000 2.668 1164 T HA -0.149 4.201 4.350 0.000 0.000 0.262 1164 T C 1.806 176.475 174.700 -0.051 0.000 1.045 1164 T CA 2.007 64.064 62.100 -0.072 0.000 1.152 1164 T CB -0.312 68.517 68.868 -0.065 0.000 0.864 1164 T HN 0.494 nan 8.240 nan 0.000 0.419 1165 T N -0.542 113.974 114.554 -0.063 0.000 3.081 1165 T HA 0.149 4.499 4.350 0.000 0.000 0.250 1165 T C 0.890 175.590 174.700 -0.001 0.000 1.100 1165 T CA 0.173 62.270 62.100 -0.005 0.000 1.038 1165 T CB -0.315 68.584 68.868 0.052 0.000 0.962 1165 T HN 0.464 nan 8.240 nan 0.000 0.516 1166 Q N 0.676 120.449 119.800 -0.046 0.000 2.439 1166 Q HA -0.194 4.146 4.340 0.000 0.000 0.247 1166 Q C -0.610 175.401 176.000 0.018 0.000 0.899 1166 Q CA 1.020 56.806 55.803 -0.028 0.000 1.201 1166 Q CB -1.576 27.157 28.738 -0.008 0.000 1.608 1166 Q HN 0.796 nan 8.270 nan 0.000 0.563 1167 E N 0.644 120.881 120.200 0.061 0.000 2.349 1167 E HA 0.449 4.799 4.350 0.000 0.000 0.262 1167 E C 0.366 177.107 176.600 0.235 0.000 1.088 1167 E CA 0.287 56.806 56.400 0.199 0.000 0.899 1167 E CB 0.890 30.832 29.700 0.402 0.000 1.044 1167 E HN 0.236 nan 8.360 nan 0.000 0.420 1168 T N -0.523 114.196 114.554 0.276 0.000 2.909 1168 T HA 0.658 5.008 4.350 0.000 0.000 0.299 1168 T C -0.490 174.368 174.700 0.264 0.000 1.073 1168 T CA -1.143 61.113 62.100 0.259 0.000 0.999 1168 T CB 1.528 70.469 68.868 0.122 0.000 1.098 1168 T HN 0.421 nan 8.240 nan 0.000 0.477 1169 R N 0.584 121.249 120.500 0.275 0.000 2.771 1169 R HA 0.544 4.884 4.340 0.000 0.000 0.274 1169 R C -1.019 175.345 176.300 0.105 0.000 0.987 1169 R CA -0.971 55.215 56.100 0.142 0.000 0.908 1169 R CB 2.373 32.703 30.300 0.051 0.000 1.213 1169 R HN 0.860 nan 8.270 nan 0.000 0.468 1170 E N 3.000 123.233 120.200 0.055 0.000 2.167 1170 E HA 0.225 4.575 4.350 0.000 0.000 0.284 1170 E C -0.678 175.945 176.600 0.039 0.000 1.016 1170 E CA -0.486 55.939 56.400 0.041 0.000 0.817 1170 E CB 0.714 30.429 29.700 0.025 0.000 1.080 1170 E HN 0.275 nan 8.360 nan 0.000 0.397 1171 I N 5.786 126.398 120.570 0.069 0.000 2.404 1171 I HA 0.269 4.439 4.170 0.000 0.000 0.293 1171 I C -0.181 175.989 176.117 0.088 0.000 0.992 1171 I CA -0.819 60.549 61.300 0.115 0.000 1.149 1171 I CB 1.184 39.335 38.000 0.251 0.000 1.315 1171 I HN 0.634 nan 8.210 nan 0.000 0.446 1172 L N 5.577 126.844 121.223 0.074 0.000 2.289 1172 L HA 0.373 4.713 4.340 0.000 0.000 0.285 1172 L C 0.163 176.988 176.870 -0.076 0.000 1.049 1172 L CA -0.439 54.355 54.840 -0.077 0.000 0.804 1172 L CB 0.947 42.951 42.059 -0.091 0.000 1.195 1172 L HN 0.515 nan 8.230 nan 0.000 0.428 1173 H N 4.347 123.205 119.070 -0.353 0.000 2.595 1173 H HA 0.345 4.902 4.556 0.000 0.000 0.313 1173 H C -1.507 173.592 175.328 -0.382 0.000 1.023 1173 H CA -0.599 55.315 56.048 -0.223 0.000 1.218 1173 H CB 0.883 30.520 29.762 -0.208 0.000 1.403 1173 H HN 0.343 nan 8.280 nan 0.000 0.477 1174 F N 4.404 124.250 119.950 -0.172 0.000 2.361 1174 F HA 0.201 4.728 4.527 0.000 0.000 0.364 1174 F C 0.432 176.298 175.800 0.111 0.000 1.117 1174 F CA -0.620 57.385 58.000 0.008 0.000 1.071 1174 F CB 0.741 39.644 39.000 -0.162 0.000 1.188 1174 F HN 0.545 nan 8.300 nan 0.000 0.464 1175 H N 3.551 122.757 119.070 0.226 0.000 2.595 1175 H HA 0.235 4.792 4.556 0.000 0.000 0.313 1175 H C -1.433 174.017 175.328 0.204 0.000 1.023 1175 H CA -0.930 55.182 56.048 0.106 0.000 1.218 1175 H CB 0.757 30.528 29.762 0.015 0.000 1.403 1175 H HN 0.656 nan 8.280 nan 0.000 0.477 1176 Y N 5.125 125.456 120.300 0.050 0.000 2.452 1176 Y HA 0.045 4.595 4.550 0.000 0.000 0.348 1176 Y C 1.133 177.036 175.900 0.005 0.000 0.985 1176 Y CA -0.114 57.840 58.100 -0.243 0.000 1.214 1176 Y CB 1.026 39.029 38.460 -0.762 0.000 1.136 1176 Y HN 0.729 nan 8.280 nan 0.000 0.523 1177 T N -1.424 113.041 114.554 -0.150 0.000 3.065 1177 T HA -0.020 4.330 4.350 0.000 0.000 0.252 1177 T C 0.840 175.578 174.700 0.064 0.000 1.099 1177 T CA 0.728 62.762 62.100 -0.110 0.000 1.063 1177 T CB -0.332 68.381 68.868 -0.258 0.000 0.948 1177 T HN 0.627 nan 8.240 nan 0.000 0.506 1178 T N -1.597 113.028 114.554 0.118 0.000 3.268 1178 T HA 0.306 4.656 4.350 0.000 0.000 0.258 1178 T C -0.883 174.061 174.700 0.408 0.000 0.966 1178 T CA -0.848 61.379 62.100 0.212 0.000 0.952 1178 T CB -0.540 68.391 68.868 0.105 0.000 1.132 1178 T HN 0.374 nan 8.240 nan 0.000 0.536 1179 W N 3.838 125.261 121.300 0.205 0.000 2.413 1179 W HA 0.483 5.143 4.660 0.000 0.000 0.308 1179 W C -3.050 173.457 176.519 -0.021 0.000 0.997 1179 W CA -3.421 53.931 57.345 0.012 0.000 1.447 1179 W CB 1.306 30.673 29.460 -0.154 0.000 1.263 1179 W HN 0.164 nan 8.180 nan 0.000 0.416 1180 P HA 0.019 nan 4.420 nan 0.000 0.272 1180 P C -0.144 177.198 177.300 0.070 0.000 1.230 1180 P CA 0.285 63.476 63.100 0.151 0.000 0.788 1180 P CB 0.963 32.740 31.700 0.129 0.000 0.949 1181 D N 2.111 122.526 120.400 0.026 0.000 2.533 1181 D HA -0.063 4.577 4.640 0.000 0.000 0.236 1181 D C 0.510 176.846 176.300 0.060 0.000 1.137 1181 D CA 0.532 54.491 54.000 -0.069 0.000 0.867 1181 D CB -0.228 40.616 40.800 0.074 0.000 1.170 1181 D HN 0.384 nan 8.370 nan 0.000 0.474 1182 F N -0.589 119.320 119.950 -0.069 0.000 3.048 1182 F HA -0.243 4.284 4.527 0.000 0.000 0.287 1182 F C 1.411 177.199 175.800 -0.021 0.000 0.796 1182 F CA 1.022 58.989 58.000 -0.055 0.000 1.111 1182 F CB -1.585 37.387 39.000 -0.046 0.000 1.320 1182 F HN 0.485 nan 8.300 nan 0.000 0.430 1183 G N -0.624 108.253 108.800 0.129 0.000 2.828 1183 G HA2 0.750 4.710 3.960 0.000 0.000 0.244 1183 G HA3 0.750 4.710 3.960 0.000 0.000 0.244 1183 G C -0.476 174.525 174.900 0.169 0.000 1.365 1183 G CA -0.030 45.147 45.100 0.127 0.000 1.041 1183 G HN 0.669 nan 8.290 nan 0.000 0.560 1184 V N -3.353 116.527 119.914 -0.057 0.000 3.102 1184 V HA 0.736 4.856 4.120 0.000 0.000 0.312 1184 V C -2.836 172.682 176.094 -0.959 0.000 1.135 1184 V CA -2.505 59.468 62.300 -0.546 0.000 1.022 1184 V CB 1.632 33.093 31.823 -0.604 0.000 1.056 1184 V HN 0.522 nan 8.190 nan 0.000 0.436 1185 P HA 0.211 nan 4.420 nan 0.000 0.270 1185 P C 0.723 177.698 177.300 -0.542 0.000 1.223 1185 P CA -0.053 62.306 63.100 -1.235 0.000 0.785 1185 P CB 0.421 31.277 31.700 -1.405 0.000 0.923 1186 E N 0.139 120.202 120.200 -0.229 0.000 2.147 1186 E HA -0.158 4.192 4.350 0.000 0.000 0.199 1186 E C 0.530 177.073 176.600 -0.094 0.000 1.005 1186 E CA 1.467 57.793 56.400 -0.123 0.000 0.810 1186 E CB -0.152 29.495 29.700 -0.088 0.000 0.736 1186 E HN 0.605 nan 8.360 nan 0.000 0.460 1187 S N -1.968 113.691 115.700 -0.069 0.000 2.615 1187 S HA 0.202 4.672 4.470 0.000 0.000 0.268 1187 S C -2.740 171.968 174.600 0.181 0.000 1.146 1187 S CA -1.244 56.989 58.200 0.055 0.000 0.818 1187 S CB 1.813 65.015 63.200 0.003 0.000 1.111 1187 S HN -0.322 nan 8.310 nan 0.000 0.465 1188 P HA 0.061 nan 4.420 nan 0.000 0.218 1188 P C 1.571 178.906 177.300 0.058 0.000 1.149 1188 P CA 1.992 65.092 63.100 -0.001 0.000 0.817 1188 P CB -0.164 31.415 31.700 -0.201 0.000 0.785 1189 A N 0.165 122.997 122.820 0.020 0.000 1.858 1189 A HA -0.188 4.132 4.320 0.000 0.000 0.216 1189 A C 2.346 179.932 177.584 0.003 0.000 1.190 1189 A CA 2.462 54.501 52.037 0.004 0.000 0.617 1189 A CB -1.608 17.396 19.000 0.007 0.000 0.827 1189 A HN 0.306 nan 8.150 nan 0.000 0.443 1190 S N -0.883 114.767 115.700 -0.085 0.000 2.399 1190 S HA -0.162 4.308 4.470 0.000 0.000 0.231 1190 S C 1.779 176.406 174.600 0.045 0.000 1.022 1190 S CA 1.376 59.396 58.200 -0.299 0.000 0.983 1190 S CB -0.730 61.883 63.200 -0.978 0.000 0.803 1190 S HN 0.541 nan 8.310 nan 0.000 0.480 1191 F N 2.751 122.682 119.950 -0.033 0.000 2.075 1191 F HA 0.053 4.580 4.527 0.000 0.000 0.297 1191 F C 1.958 177.757 175.800 -0.002 0.000 1.113 1191 F CA 1.142 59.127 58.000 -0.024 0.000 1.218 1191 F CB -0.545 38.450 39.000 -0.008 0.000 0.984 1191 F HN 0.097 nan 8.300 nan 0.000 0.472 1192 L N 0.258 121.378 121.223 -0.172 0.000 2.042 1192 L HA -0.273 4.067 4.340 0.000 0.000 0.210 1192 L C 2.316 178.912 176.870 -0.458 0.000 1.076 1192 L CA 1.736 56.279 54.840 -0.495 0.000 0.749 1192 L CB -1.032 40.866 42.059 -0.268 0.000 0.893 1192 L HN 0.267 nan 8.230 nan 0.000 0.432 1193 N N 0.358 119.006 118.700 -0.087 0.000 2.018 1193 N HA -0.296 4.445 4.740 0.000 0.000 0.196 1193 N C 1.771 177.289 175.510 0.013 0.000 1.043 1193 N CA 1.725 54.829 53.050 0.090 0.000 0.856 1193 N CB -0.359 38.295 38.487 0.278 0.000 1.042 1193 N HN 0.229 nan 8.380 nan 0.000 0.423 1194 F N 0.561 120.422 119.950 -0.148 0.000 2.095 1194 F HA -0.153 4.374 4.527 0.000 0.000 0.298 1194 F C 2.079 177.684 175.800 -0.326 0.000 1.104 1194 F CA 1.227 59.042 58.000 -0.308 0.000 1.232 1194 F CB -0.705 38.263 39.000 -0.053 0.000 0.987 1194 F HN 0.199 nan 8.300 nan 0.000 0.475 1195 L N -0.415 120.553 121.223 -0.424 0.000 2.046 1195 L HA -0.195 4.145 4.340 0.000 0.000 0.208 1195 L C 2.041 178.602 176.870 -0.516 0.000 1.077 1195 L CA 1.884 56.370 54.840 -0.590 0.000 0.747 1195 L CB -1.208 40.282 42.059 -0.948 0.000 0.896 1195 L HN 0.105 nan 8.230 nan 0.000 0.432 1196 F N -0.170 119.629 119.950 -0.252 0.000 2.234 1196 F HA -0.093 4.434 4.527 0.000 0.000 0.299 1196 F C 2.486 178.176 175.800 -0.184 0.000 1.087 1196 F CA 0.915 58.809 58.000 -0.178 0.000 1.340 1196 F CB -0.912 38.017 39.000 -0.119 0.000 1.031 1196 F HN 0.066 nan 8.300 nan 0.000 0.500 1197 K N 0.853 121.206 120.400 -0.079 0.000 2.057 1197 K HA -0.095 4.225 4.320 0.000 0.000 0.207 1197 K C 2.188 178.624 176.600 -0.272 0.000 1.049 1197 K CA 1.058 57.286 56.287 -0.098 0.000 0.931 1197 K CB -0.670 31.757 32.500 -0.120 0.000 0.714 1197 K HN 0.136 nan 8.250 nan 0.000 0.440 1198 V N 1.339 120.869 119.914 -0.639 0.000 2.287 1198 V HA -0.257 3.863 4.120 0.000 0.000 0.248 1198 V C 2.594 178.412 176.094 -0.460 0.000 1.053 1198 V CA 1.895 63.594 62.300 -1.002 0.000 1.027 1198 V CB -0.439 30.849 31.823 -0.892 0.000 0.646 1198 V HN 0.333 nan 8.190 nan 0.000 0.447 1199 R N 0.476 120.835 120.500 -0.236 0.000 2.080 1199 R HA -0.213 4.127 4.340 0.000 0.000 0.236 1199 R C 2.297 178.582 176.300 -0.026 0.000 1.137 1199 R CA 1.982 58.036 56.100 -0.076 0.000 0.943 1199 R CB -0.437 29.888 30.300 0.041 0.000 0.846 1199 R HN 0.817 nan 8.270 nan 0.000 0.431 1200 E N 0.592 120.794 120.200 0.002 0.000 2.418 1200 E HA -0.100 4.250 4.350 0.000 0.000 0.197 1200 E C 1.522 178.152 176.600 0.050 0.000 1.026 1200 E CA 1.175 57.594 56.400 0.033 0.000 0.862 1200 E CB -0.019 29.710 29.700 0.048 0.000 0.799 1200 E HN 0.253 nan 8.360 nan 0.000 0.518 1201 S N 0.323 116.051 115.700 0.046 0.000 2.481 1201 S HA 0.096 4.566 4.470 0.000 0.000 0.231 1201 S C 1.831 176.501 174.600 0.117 0.000 0.996 1201 S CA 0.558 58.838 58.200 0.133 0.000 0.942 1201 S CB -0.231 63.147 63.200 0.296 0.000 0.768 1201 S HN 0.585 nan 8.310 nan 0.000 0.520 1202 G N 0.326 109.173 108.800 0.079 0.000 2.176 1202 G HA2 -0.303 3.657 3.960 0.000 0.000 0.253 1202 G HA3 -0.303 3.657 3.960 0.000 0.000 0.253 1202 G C 0.989 175.992 174.900 0.171 0.000 0.979 1202 G CA 0.526 45.698 45.100 0.120 0.000 0.641 1202 G HN 0.602 nan 8.290 nan 0.000 0.530 1203 S N -0.156 115.596 115.700 0.087 0.000 2.419 1203 S HA 0.052 4.522 4.470 0.000 0.000 0.233 1203 S C 2.050 176.694 174.600 0.074 0.000 1.016 1203 S CA 1.293 59.526 58.200 0.054 0.000 0.974 1203 S CB -0.143 63.090 63.200 0.055 0.000 0.786 1203 S HN 0.522 nan 8.310 nan 0.000 0.492 1204 L N 1.203 122.448 121.223 0.037 0.000 2.591 1204 L HA 0.190 4.530 4.340 0.000 0.000 0.228 1204 L C 1.086 177.959 176.870 0.006 0.000 1.133 1204 L CA -0.253 54.588 54.840 0.001 0.000 0.880 1204 L CB -0.258 41.781 42.059 -0.033 0.000 1.033 1204 L HN 0.140 nan 8.230 nan 0.000 0.450 1205 S N 0.760 116.508 115.700 0.080 0.000 2.558 1205 S HA 0.074 4.544 4.470 0.000 0.000 0.288 1205 S C -1.355 173.207 174.600 -0.063 0.000 1.318 1205 S CA -0.964 57.237 58.200 0.002 0.000 1.056 1205 S CB 0.964 64.144 63.200 -0.033 0.000 0.853 1205 S HN -0.025 nan 8.310 nan 0.000 0.505 1206 P HA -0.048 nan 4.420 nan 0.000 0.225 1206 P C 0.891 178.109 177.300 -0.136 0.000 1.148 1206 P CA 0.667 63.706 63.100 -0.102 0.000 0.779 1206 P CB 0.098 31.746 31.700 -0.087 0.000 0.780 1207 E N -1.685 118.371 120.200 -0.239 0.000 2.216 1207 E HA -0.086 4.264 4.350 0.000 0.000 0.192 1207 E C 0.626 177.059 176.600 -0.278 0.000 0.988 1207 E CA 0.963 57.188 56.400 -0.292 0.000 0.834 1207 E CB -0.693 28.760 29.700 -0.412 0.000 0.772 1207 E HN 0.459 nan 8.360 nan 0.000 0.479 1208 H N 0.407 119.447 119.070 -0.049 0.000 2.495 1208 H HA 0.450 5.006 4.556 0.000 0.000 0.350 1208 H C 0.898 176.185 175.328 -0.069 0.000 1.202 1208 H CA -0.178 55.836 56.048 -0.057 0.000 1.322 1208 H CB 0.468 30.205 29.762 -0.042 0.000 1.544 1208 H HN 0.041 nan 8.280 nan 0.000 0.565 1209 G N 0.765 109.605 108.800 0.067 0.000 2.683 1209 G HA2 0.143 4.103 3.960 0.000 0.000 0.260 1209 G HA3 0.143 4.103 3.960 0.000 0.000 0.260 1209 G C -2.212 172.680 174.900 -0.013 0.000 1.238 1209 G CA -0.824 44.270 45.100 -0.010 0.000 0.934 1209 G HN 0.409 nan 8.290 nan 0.000 0.534 1210 P HA 0.158 nan 4.420 nan 0.000 0.275 1210 P C 0.124 177.407 177.300 -0.029 0.000 1.228 1210 P CA -0.272 62.793 63.100 -0.059 0.000 0.786 1210 P CB 1.490 33.144 31.700 -0.076 0.000 0.927 1211 V N 4.069 123.981 119.914 -0.003 0.000 2.763 1211 V HA -0.004 4.116 4.120 0.000 0.000 0.306 1211 V C -0.046 176.084 176.094 0.061 0.000 1.059 1211 V CA 0.102 62.430 62.300 0.047 0.000 1.138 1211 V CB 0.722 32.604 31.823 0.097 0.000 0.940 1211 V HN 0.222 nan 8.190 nan 0.000 0.489 1212 V N 7.539 127.471 119.914 0.031 0.000 2.406 1212 V HA 0.370 4.490 4.120 0.000 0.000 0.272 1212 V C -0.012 176.127 176.094 0.075 0.000 1.043 1212 V CA -0.250 62.054 62.300 0.006 0.000 0.915 1212 V CB 1.344 33.093 31.823 -0.124 0.000 0.988 1212 V HN 0.682 nan 8.190 nan 0.000 0.466 1213 V N 5.654 125.610 119.914 0.070 0.000 2.555 1213 V HA 0.681 4.801 4.120 0.000 0.000 0.302 1213 V C -0.507 175.618 176.094 0.050 0.000 1.038 1213 V CA -0.596 61.709 62.300 0.007 0.000 0.887 1213 V CB 1.693 33.507 31.823 -0.014 0.000 0.991 1213 V HN 1.180 nan 8.190 nan 0.000 0.434 1214 H N 2.029 121.041 119.070 -0.097 0.000 3.037 1214 H HA 0.821 5.377 4.556 0.000 0.000 0.355 1214 H C -0.372 174.866 175.328 -0.149 0.000 1.263 1214 H CA -0.339 55.644 56.048 -0.108 0.000 1.129 1214 H CB 1.372 31.083 29.762 -0.086 0.000 1.861 1214 H HN 0.774 nan 8.280 nan 0.000 0.546 1215 C N 0.166 119.415 119.300 -0.085 0.000 4.334 1215 C HA 0.641 5.101 4.460 0.000 0.000 0.217 1215 C C 1.926 176.946 174.990 0.049 0.000 3.698 1215 C CA 0.219 59.138 59.018 -0.165 0.000 1.802 1215 C CB 0.899 28.452 27.740 -0.312 0.000 4.505 1215 C HN 0.850 nan 8.230 nan 0.000 0.490 1216 S N 0.360 116.053 115.700 -0.012 0.000 2.356 1216 S HA 0.171 4.641 4.470 0.000 0.000 0.219 1216 S C 1.844 176.549 174.600 0.176 0.000 1.036 1216 S CA 1.553 59.809 58.200 0.093 0.000 0.965 1216 S CB -0.678 62.590 63.200 0.113 0.000 0.864 1216 S HN 1.075 nan 8.310 nan 0.000 0.471 1217 A N -0.452 122.456 122.820 0.147 0.000 2.044 1217 A HA 0.532 4.852 4.320 0.000 0.000 0.213 1217 A C 1.622 179.241 177.584 0.058 0.000 1.169 1217 A CA 0.941 53.103 52.037 0.207 0.000 0.724 1217 A CB -0.721 18.307 19.000 0.047 0.000 0.840 1217 A HN 1.435 nan 8.150 nan 0.000 0.463 1218 G N -0.384 108.402 108.800 -0.022 0.000 2.142 1218 G HA2 -0.242 3.719 3.960 0.000 0.000 0.225 1218 G HA3 -0.242 3.719 3.960 0.000 0.000 0.225 1218 G C 0.628 175.489 174.900 -0.065 0.000 1.015 1218 G CA 0.725 45.802 45.100 -0.039 0.000 0.716 1218 G HN 1.327 nan 8.290 nan 0.000 0.508 1219 I N -4.791 115.718 120.570 -0.101 0.000 4.578 1219 I HA 0.451 4.621 4.170 0.000 0.000 0.312 1219 I C 1.881 177.930 176.117 -0.114 0.000 1.224 1219 I CA 0.908 62.158 61.300 -0.082 0.000 1.318 1219 I CB -0.365 37.606 38.000 -0.049 0.000 1.388 1219 I HN 0.060 nan 8.210 nan 0.000 0.461 1220 G N 1.817 110.493 108.800 -0.206 0.000 2.551 1220 G HA2 -0.034 3.926 3.960 0.000 0.000 0.214 1220 G HA3 -0.034 3.926 3.960 0.000 0.000 0.214 1220 G C 1.661 176.368 174.900 -0.323 0.000 1.250 1220 G CA 0.620 45.573 45.100 -0.245 0.000 0.825 1220 G HN 0.211 nan 8.290 nan 0.000 0.549 1221 R N 0.313 120.465 120.500 -0.580 0.000 2.075 1221 R HA 0.018 4.358 4.340 0.000 0.000 0.232 1221 R C 3.052 178.993 176.300 -0.598 0.000 1.126 1221 R CA 1.400 56.886 56.100 -1.025 0.000 0.963 1221 R CB -0.383 28.989 30.300 -1.547 0.000 0.858 1221 R HN 0.291 nan 8.270 nan 0.000 0.435 1222 S N 0.018 115.493 115.700 -0.376 0.000 2.368 1222 S HA -0.116 4.354 4.470 0.000 0.000 0.225 1222 S C 2.006 176.578 174.600 -0.046 0.000 1.030 1222 S CA 1.348 59.446 58.200 -0.171 0.000 0.999 1222 S CB -0.433 62.683 63.200 -0.139 0.000 0.844 1222 S HN 0.628 nan 8.310 nan 0.000 0.459 1223 G N 1.243 109.997 108.800 -0.076 0.000 2.418 1223 G HA2 -0.182 3.779 3.960 0.000 0.000 0.217 1223 G HA3 -0.182 3.779 3.960 0.000 0.000 0.217 1223 G C 1.459 176.376 174.900 0.028 0.000 1.158 1223 G CA 1.465 46.553 45.100 -0.019 0.000 0.771 1223 G HN 0.492 nan 8.290 nan 0.000 0.545 1224 T N 0.739 115.322 114.554 0.048 0.000 2.708 1224 T HA -0.105 4.245 4.350 0.000 0.000 0.266 1224 T C 1.920 176.763 174.700 0.239 0.000 1.037 1224 T CA 1.103 63.289 62.100 0.142 0.000 1.146 1224 T CB -0.299 68.713 68.868 0.240 0.000 0.865 1224 T HN 0.237 nan 8.240 nan 0.000 0.435 1225 F N 1.634 121.711 119.950 0.211 0.000 2.046 1225 F HA -0.199 4.328 4.527 0.000 0.000 0.297 1225 F C 2.453 178.330 175.800 0.129 0.000 1.123 1225 F CA 1.078 59.300 58.000 0.370 0.000 1.199 1225 F CB -0.758 38.403 39.000 0.268 0.000 0.972 1225 F HN 0.164 nan 8.300 nan 0.000 0.474 1226 C N 0.167 119.468 119.300 0.001 0.000 2.440 1226 C HA -0.102 4.359 4.460 0.000 0.000 0.278 1226 C C 2.639 177.467 174.990 -0.270 0.000 1.295 1226 C CA 0.700 59.455 59.018 -0.437 0.000 1.738 1226 C CB -1.530 25.743 27.740 -0.779 0.000 1.987 1226 C HN 0.665 nan 8.230 nan 0.000 0.492 1227 L N 2.173 123.335 121.223 -0.102 0.000 2.017 1227 L HA -0.069 4.272 4.340 0.000 0.000 0.208 1227 L C 2.611 179.459 176.870 -0.036 0.000 1.073 1227 L CA 2.396 57.215 54.840 -0.035 0.000 0.745 1227 L CB -0.912 41.159 42.059 0.020 0.000 0.894 1227 L HN 0.259 nan 8.230 nan 0.000 0.432 1228 A N -0.715 122.090 122.820 -0.025 0.000 1.883 1228 A HA -0.303 4.017 4.320 0.000 0.000 0.217 1228 A C 2.107 179.662 177.584 -0.048 0.000 1.186 1228 A CA 2.024 54.058 52.037 -0.004 0.000 0.624 1228 A CB -1.133 17.956 19.000 0.148 0.000 0.822 1228 A HN 0.606 nan 8.150 nan 0.000 0.444 1229 D N -1.231 119.079 120.400 -0.150 0.000 2.117 1229 D HA -0.110 4.530 4.640 0.000 0.000 0.197 1229 D C 1.941 178.245 176.300 0.007 0.000 0.987 1229 D CA 1.985 55.901 54.000 -0.139 0.000 0.829 1229 D CB -0.237 40.432 40.800 -0.218 0.000 0.961 1229 D HN 0.338 nan 8.370 nan 0.000 0.460 1230 T N -1.038 113.548 114.554 0.053 0.000 2.777 1230 T HA -0.137 4.213 4.350 0.000 0.000 0.266 1230 T C 2.152 176.880 174.700 0.046 0.000 1.040 1230 T CA 1.202 63.361 62.100 0.099 0.000 1.141 1230 T CB -0.552 68.394 68.868 0.129 0.000 0.868 1230 T HN 0.293 nan 8.240 nan 0.000 0.444 1231 C N 0.881 120.189 119.300 0.014 0.000 2.435 1231 C HA 0.111 4.571 4.460 0.000 0.000 0.279 1231 C C 2.638 177.634 174.990 0.010 0.000 1.321 1231 C CA 0.298 59.314 59.018 -0.003 0.000 1.752 1231 C CB -1.325 26.390 27.740 -0.042 0.000 1.959 1231 C HN 0.515 nan 8.230 nan 0.000 0.500 1232 L N -0.013 121.223 121.223 0.022 0.000 2.109 1232 L HA -0.101 4.239 4.340 0.000 0.000 0.207 1232 L C 2.512 179.419 176.870 0.061 0.000 1.086 1232 L CA 1.125 55.999 54.840 0.055 0.000 0.760 1232 L CB -0.477 41.625 42.059 0.072 0.000 0.910 1232 L HN 0.367 nan 8.230 nan 0.000 0.437 1233 L N -0.554 120.699 121.223 0.048 0.000 2.046 1233 L HA -0.250 4.090 4.340 0.000 0.000 0.208 1233 L C 2.477 179.368 176.870 0.036 0.000 1.077 1233 L CA 1.354 56.221 54.840 0.044 0.000 0.747 1233 L CB -0.444 41.637 42.059 0.037 0.000 0.896 1233 L HN 0.281 nan 8.230 nan 0.000 0.432 1234 L N -1.228 120.014 121.223 0.031 0.000 2.056 1234 L HA -0.215 4.125 4.340 0.000 0.000 0.207 1234 L C 2.699 179.581 176.870 0.020 0.000 1.078 1234 L CA 1.180 56.034 54.840 0.023 0.000 0.749 1234 L CB -0.412 41.658 42.059 0.019 0.000 0.901 1234 L HN 0.277 nan 8.230 nan 0.000 0.433 1235 M N -0.332 119.281 119.600 0.022 0.000 2.108 1235 M HA -0.265 4.215 4.480 0.000 0.000 0.261 1235 M C 1.923 178.249 176.300 0.043 0.000 1.066 1235 M CA 2.068 57.381 55.300 0.021 0.000 1.107 1235 M CB -0.634 31.987 32.600 0.034 0.000 1.356 1235 M HN 0.246 nan 8.290 nan 0.000 0.406 1236 D N 0.464 120.899 120.400 0.058 0.000 2.144 1236 D HA -0.174 4.466 4.640 0.000 0.000 0.200 1236 D C 1.969 178.292 176.300 0.038 0.000 0.978 1236 D CA 1.246 55.282 54.000 0.060 0.000 0.833 1236 D CB 0.033 40.871 40.800 0.063 0.000 0.961 1236 D HN 0.273 nan 8.370 nan 0.000 0.470 1237 K N -0.398 120.019 120.400 0.029 0.000 2.186 1237 K HA -0.023 4.297 4.320 0.000 0.000 0.202 1237 K C 0.495 177.104 176.600 0.015 0.000 1.052 1237 K CA 0.069 56.368 56.287 0.020 0.000 0.965 1237 K CB 0.228 32.738 32.500 0.016 0.000 0.746 1237 K HN -0.039 nan 8.250 nan 0.000 0.457 1238 R N 1.215 121.724 120.500 0.014 0.000 2.615 1238 R HA 0.020 4.360 4.340 0.000 0.000 0.270 1238 R C 0.935 177.239 176.300 0.008 0.000 1.081 1238 R CA -0.090 56.014 56.100 0.007 0.000 1.154 1238 R CB 0.747 31.047 30.300 0.000 0.000 1.063 1238 R HN -0.032 nan 8.270 nan 0.000 0.519 1239 K N 0.681 121.083 120.400 0.004 0.000 2.167 1239 K HA -0.090 4.230 4.320 0.000 0.000 0.203 1239 K C -0.210 176.389 176.600 -0.001 0.000 1.052 1239 K CA 1.263 57.553 56.287 0.006 0.000 0.956 1239 K CB -0.028 32.475 32.500 0.004 0.000 0.735 1239 K HN 0.458 nan 8.250 nan 0.000 0.451 1240 D N -0.770 119.622 120.400 -0.013 0.000 2.454 1240 D HA 0.251 4.891 4.640 0.000 0.000 0.247 1240 D C -2.207 174.056 176.300 -0.061 0.000 1.129 1240 D CA -2.470 51.508 54.000 -0.035 0.000 0.877 1240 D CB 1.587 42.368 40.800 -0.032 0.000 1.082 1240 D HN -0.158 nan 8.370 nan 0.000 0.537 1241 P HA -0.129 nan 4.420 nan 0.000 0.220 1241 P C 0.799 178.005 177.300 -0.157 0.000 1.144 1241 P CA 0.902 63.916 63.100 -0.143 0.000 0.800 1241 P CB 0.323 31.852 31.700 -0.284 0.000 0.772 1242 S N -0.987 114.621 115.700 -0.153 0.000 2.489 1242 S HA -0.074 4.396 4.470 0.000 0.000 0.228 1242 S C 1.893 176.458 174.600 -0.059 0.000 0.995 1242 S CA 1.120 59.253 58.200 -0.111 0.000 0.934 1242 S CB -0.813 62.328 63.200 -0.098 0.000 0.771 1242 S HN 0.320 nan 8.310 nan 0.000 0.522 1243 S N 1.104 116.775 115.700 -0.048 0.000 2.474 1243 S HA 0.030 4.500 4.470 0.000 0.000 0.235 1243 S C 0.704 175.293 174.600 -0.019 0.000 0.997 1243 S CA -0.018 58.167 58.200 -0.025 0.000 0.949 1243 S CB -0.610 62.579 63.200 -0.017 0.000 0.766 1243 S HN 0.199 nan 8.310 nan 0.000 0.517 1244 V N 3.374 123.268 119.914 -0.033 0.000 2.446 1244 V HA 0.208 4.328 4.120 0.000 0.000 0.276 1244 V C 0.058 176.133 176.094 -0.032 0.000 1.030 1244 V CA -0.133 62.149 62.300 -0.030 0.000 1.033 1244 V CB 0.539 32.337 31.823 -0.042 0.000 0.993 1244 V HN 0.344 nan 8.190 nan 0.000 0.477 1245 D N 4.855 125.248 120.400 -0.012 0.000 2.473 1245 D HA 0.323 4.963 4.640 0.000 0.000 0.226 1245 D C 1.004 177.299 176.300 -0.007 0.000 1.089 1245 D CA -0.305 53.698 54.000 0.004 0.000 0.883 1245 D CB 1.035 41.854 40.800 0.032 0.000 1.029 1245 D HN 0.432 nan 8.370 nan 0.000 0.517 1246 I N 2.790 123.308 120.570 -0.086 0.000 2.208 1246 I HA -0.255 3.915 4.170 0.000 0.000 0.245 1246 I C 2.519 178.663 176.117 0.045 0.000 1.097 1246 I CA 0.822 62.049 61.300 -0.122 0.000 1.363 1246 I CB -0.081 37.615 38.000 -0.508 0.000 1.051 1246 I HN 0.380 nan 8.210 nan 0.000 0.413 1247 K N 1.680 122.167 120.400 0.145 0.000 2.044 1247 K HA -0.277 4.043 4.320 0.000 0.000 0.210 1247 K C 2.211 178.892 176.600 0.134 0.000 1.049 1247 K CA 1.840 58.246 56.287 0.200 0.000 0.927 1247 K CB -0.132 32.494 32.500 0.210 0.000 0.713 1247 K HN 0.206 nan 8.250 nan 0.000 0.443 1248 K N 0.377 120.837 120.400 0.100 0.000 2.097 1248 K HA -0.078 4.242 4.320 0.000 0.000 0.205 1248 K C 1.968 178.623 176.600 0.091 0.000 1.050 1248 K CA 1.051 57.390 56.287 0.086 0.000 0.938 1248 K CB 0.150 32.690 32.500 0.066 0.000 0.718 1248 K HN 0.012 nan 8.250 nan 0.000 0.442 1249 V N 1.552 121.514 119.914 0.080 0.000 2.358 1249 V HA -0.231 3.889 4.120 0.000 0.000 0.246 1249 V C 2.223 178.388 176.094 0.117 0.000 1.047 1249 V CA 1.255 63.608 62.300 0.089 0.000 1.035 1249 V CB -0.442 31.415 31.823 0.056 0.000 0.658 1249 V HN 0.332 nan 8.190 nan 0.000 0.452 1250 L N -0.136 121.157 121.223 0.118 0.000 2.042 1250 L HA -0.144 4.196 4.340 0.000 0.000 0.210 1250 L C 2.195 179.160 176.870 0.157 0.000 1.076 1250 L CA 1.855 56.779 54.840 0.141 0.000 0.749 1250 L CB -0.668 41.489 42.059 0.163 0.000 0.893 1250 L HN 0.200 nan 8.230 nan 0.000 0.432 1251 L N -0.636 120.673 121.223 0.142 0.000 2.046 1251 L HA -0.217 4.123 4.340 0.000 0.000 0.208 1251 L C 2.578 179.541 176.870 0.156 0.000 1.077 1251 L CA 1.515 56.435 54.840 0.133 0.000 0.747 1251 L CB -0.522 41.598 42.059 0.101 0.000 0.896 1251 L HN 0.359 nan 8.230 nan 0.000 0.432 1252 E N 0.315 120.614 120.200 0.166 0.000 2.085 1252 E HA -0.271 4.079 4.350 0.000 0.000 0.194 1252 E C 2.237 179.040 176.600 0.337 0.000 0.994 1252 E CA 1.624 58.153 56.400 0.214 0.000 0.801 1252 E CB -0.167 29.658 29.700 0.209 0.000 0.743 1252 E HN 0.293 nan 8.360 nan 0.000 0.453 1253 M N -0.316 119.474 119.600 0.317 0.000 2.117 1253 M HA -0.087 4.393 4.480 0.000 0.000 0.262 1253 M C 2.083 178.634 176.300 0.419 0.000 1.065 1253 M CA 1.389 56.925 55.300 0.393 0.000 1.114 1253 M CB 0.003 32.736 32.600 0.222 0.000 1.361 1253 M HN 0.017 nan 8.290 nan 0.000 0.408 1254 R N -0.224 120.455 120.500 0.299 0.000 2.328 1254 R HA -0.105 4.235 4.340 0.000 0.000 0.207 1254 R C 1.640 178.187 176.300 0.411 0.000 1.056 1254 R CA 0.709 56.995 56.100 0.310 0.000 1.016 1254 R CB -0.119 30.320 30.300 0.230 0.000 0.872 1254 R HN 0.380 nan 8.270 nan 0.000 0.471 1255 K N -0.546 120.033 120.400 0.299 0.000 2.288 1255 K HA -0.063 4.257 4.320 0.000 0.000 0.201 1255 K C 0.928 177.615 176.600 0.144 0.000 1.048 1255 K CA 1.041 57.433 56.287 0.175 0.000 0.956 1255 K CB 0.161 32.561 32.500 -0.167 0.000 0.746 1255 K HN 0.130 nan 8.250 nan 0.000 0.461 1256 F N -0.167 120.043 119.950 0.434 0.000 2.582 1256 F HA 0.214 4.742 4.527 0.000 0.000 0.290 1256 F C 0.780 176.734 175.800 0.256 0.000 1.115 1256 F CA -0.218 57.973 58.000 0.318 0.000 1.445 1256 F CB 0.536 39.637 39.000 0.168 0.000 1.126 1256 F HN -0.223 nan 8.300 nan 0.000 0.574 1257 R N 1.022 121.728 120.500 0.344 0.000 2.566 1257 R HA 0.383 4.724 4.340 0.000 0.000 0.271 1257 R C -0.693 175.543 176.300 -0.106 0.000 1.071 1257 R CA -0.740 55.287 56.100 -0.122 0.000 0.915 1257 R CB 1.487 31.765 30.300 -0.038 0.000 1.228 1257 R HN 0.090 nan 8.270 nan 0.000 0.449 1258 M N 1.846 121.178 119.600 -0.447 0.000 2.226 1258 M HA 0.343 4.823 4.480 0.000 0.000 0.324 1258 M C 0.867 177.162 176.300 -0.008 0.000 1.112 1258 M CA 1.156 56.395 55.300 -0.103 0.000 1.176 1258 M CB 0.567 33.076 32.600 -0.152 0.000 1.430 1258 M HN 0.804 nan 8.290 nan 0.000 0.462 1259 G N 2.184 111.022 108.800 0.063 0.000 2.296 1259 G HA2 -0.227 3.733 3.960 0.000 0.000 0.282 1259 G HA3 -0.227 3.733 3.960 0.000 0.000 0.282 1259 G C -0.066 174.884 174.900 0.084 0.000 1.014 1259 G CA 0.262 45.407 45.100 0.075 0.000 0.812 1259 G HN 0.767 nan 8.290 nan 0.000 0.508 1260 L N 0.108 121.386 121.223 0.092 0.000 2.513 1260 L HA 0.341 4.682 4.340 0.000 0.000 0.272 1260 L C 1.342 178.287 176.870 0.126 0.000 1.187 1260 L CA 0.050 54.939 54.840 0.081 0.000 0.895 1260 L CB 0.114 42.228 42.059 0.091 0.000 1.147 1260 L HN 0.348 nan 8.230 nan 0.000 0.483 1261 I N 3.072 123.692 120.570 0.083 0.000 8.043 1261 I HA -0.221 3.949 4.170 0.000 0.000 0.126 1261 I C 0.394 176.617 176.117 0.176 0.000 1.850 1261 I CA 0.092 61.452 61.300 0.099 0.000 2.037 1261 I CB -0.270 37.821 38.000 0.151 0.000 3.759 1261 I HN 0.816 nan 8.210 nan 0.000 0.169 1262 Q N 3.206 123.056 119.800 0.084 0.000 2.282 1262 Q HA 0.176 4.516 4.340 0.000 0.000 0.206 1262 Q C 0.654 176.727 176.000 0.121 0.000 0.878 1262 Q CA 1.079 56.998 55.803 0.193 0.000 0.944 1262 Q CB 1.099 29.947 28.738 0.184 0.000 1.100 1262 Q HN 0.869 nan 8.270 nan 0.000 0.509 1263 T N -5.691 108.713 114.554 -0.250 0.000 2.868 1263 T HA 0.625 4.975 4.350 0.000 0.000 0.306 1263 T C 0.690 174.887 174.700 -0.840 0.000 1.224 1263 T CA -0.172 61.681 62.100 -0.411 0.000 1.012 1263 T CB 1.434 70.236 68.868 -0.111 0.000 1.221 1263 T HN -0.128 nan 8.240 nan 0.000 0.499 1264 A N 0.712 123.125 122.820 -0.678 0.000 1.972 1264 A HA -0.018 4.302 4.320 0.000 0.000 0.219 1264 A C 1.869 179.279 177.584 -0.290 0.000 1.169 1264 A CA 2.224 54.004 52.037 -0.428 0.000 0.635 1264 A CB -1.206 17.773 19.000 -0.035 0.000 0.810 1264 A HN 0.957 nan 8.150 nan 0.000 0.446 1265 D N -0.825 119.436 120.400 -0.231 0.000 2.144 1265 D HA -0.131 4.509 4.640 0.000 0.000 0.200 1265 D C 2.148 178.338 176.300 -0.183 0.000 0.978 1265 D CA 1.327 55.202 54.000 -0.208 0.000 0.833 1265 D CB -0.169 40.559 40.800 -0.118 0.000 0.961 1265 D HN 0.574 nan 8.370 nan 0.000 0.470 1266 Q N -0.623 119.086 119.800 -0.152 0.000 2.124 1266 Q HA -0.128 4.213 4.340 0.000 0.000 0.202 1266 Q C 2.114 178.091 176.000 -0.038 0.000 0.977 1266 Q CA 0.750 56.517 55.803 -0.060 0.000 0.850 1266 Q CB -0.094 28.620 28.738 -0.041 0.000 0.901 1266 Q HN 0.294 nan 8.270 nan 0.000 0.429 1267 L N 0.962 122.109 121.223 -0.127 0.000 2.017 1267 L HA -0.193 4.147 4.340 0.000 0.000 0.208 1267 L C 2.404 179.188 176.870 -0.143 0.000 1.073 1267 L CA 1.790 56.624 54.840 -0.011 0.000 0.745 1267 L CB -0.417 41.677 42.059 0.059 0.000 0.894 1267 L HN 0.051 nan 8.230 nan 0.000 0.432 1268 R N -1.321 118.837 120.500 -0.571 0.000 2.073 1268 R HA -0.259 4.082 4.340 0.000 0.000 0.234 1268 R C 2.411 178.489 176.300 -0.370 0.000 1.134 1268 R CA 2.074 57.474 56.100 -1.167 0.000 0.952 1268 R CB -0.735 28.635 30.300 -1.549 0.000 0.850 1268 R HN 0.423 nan 8.270 nan 0.000 0.433 1269 F N 1.710 121.463 119.950 -0.327 0.000 2.126 1269 F HA -0.254 4.273 4.527 0.000 0.000 0.299 1269 F C 2.487 178.162 175.800 -0.209 0.000 1.096 1269 F CA 2.103 59.954 58.000 -0.248 0.000 1.255 1269 F CB -0.402 38.419 39.000 -0.297 0.000 0.997 1269 F HN 0.188 nan 8.300 nan 0.000 0.479 1270 S N -1.073 114.614 115.700 -0.023 0.000 2.419 1270 S HA -0.254 4.216 4.470 0.000 0.000 0.233 1270 S C 1.938 176.488 174.600 -0.084 0.000 1.016 1270 S CA 1.214 59.355 58.200 -0.098 0.000 0.974 1270 S CB -1.383 61.837 63.200 0.035 0.000 0.786 1270 S HN 0.589 nan 8.310 nan 0.000 0.492 1271 Y N 1.201 121.429 120.300 -0.120 0.000 2.184 1271 Y HA 0.083 4.633 4.550 0.000 0.000 0.290 1271 Y C 2.491 178.328 175.900 -0.105 0.000 1.129 1271 Y CA 1.220 59.343 58.100 0.037 0.000 1.144 1271 Y CB -0.253 38.399 38.460 0.320 0.000 0.995 1271 Y HN 0.230 nan 8.280 nan 0.000 0.513 1272 L N -0.500 120.675 121.223 -0.080 0.000 2.012 1272 L HA -0.277 4.064 4.340 0.000 0.000 0.210 1272 L C 2.490 179.091 176.870 -0.448 0.000 1.073 1272 L CA 1.611 56.185 54.840 -0.443 0.000 0.748 1272 L CB -0.492 41.281 42.059 -0.476 0.000 0.891 1272 L HN 0.274 nan 8.230 nan 0.000 0.431 1273 A N -1.105 121.348 122.820 -0.611 0.000 1.930 1273 A HA -0.136 4.184 4.320 0.000 0.000 0.217 1273 A C 2.172 179.639 177.584 -0.194 0.000 1.175 1273 A CA 1.652 53.392 52.037 -0.495 0.000 0.627 1273 A CB -0.757 17.805 19.000 -0.731 0.000 0.815 1273 A HN 0.333 nan 8.150 nan 0.000 0.443 1274 V N 0.120 119.940 119.914 -0.158 0.000 2.358 1274 V HA -0.246 3.874 4.120 0.000 0.000 0.246 1274 V C 2.410 178.505 176.094 0.001 0.000 1.047 1274 V CA 1.973 64.237 62.300 -0.059 0.000 1.035 1274 V CB -0.606 31.165 31.823 -0.088 0.000 0.658 1274 V HN 0.575 nan 8.190 nan 0.000 0.452 1275 I N -0.452 120.103 120.570 -0.025 0.000 2.142 1275 I HA -0.198 3.972 4.170 0.000 0.000 0.240 1275 I C 2.680 178.856 176.117 0.099 0.000 1.078 1275 I CA 1.386 62.717 61.300 0.053 0.000 1.343 1275 I CB -0.468 37.520 38.000 -0.020 0.000 1.046 1275 I HN 0.312 nan 8.210 nan 0.000 0.405 1276 E N 0.945 121.142 120.200 -0.004 0.000 2.033 1276 E HA -0.223 4.127 4.350 0.000 0.000 0.199 1276 E C 2.278 178.951 176.600 0.121 0.000 1.011 1276 E CA 1.754 58.169 56.400 0.024 0.000 0.815 1276 E CB -0.885 28.786 29.700 -0.049 0.000 0.755 1276 E HN 0.572 nan 8.360 nan 0.000 0.451 1277 G N 1.018 109.893 108.800 0.124 0.000 2.462 1277 G HA2 -0.210 3.751 3.960 0.000 0.000 0.220 1277 G HA3 -0.210 3.751 3.960 0.000 0.000 0.220 1277 G C 1.707 176.787 174.900 0.301 0.000 1.121 1277 G CA 1.343 46.598 45.100 0.257 0.000 0.758 1277 G HN 0.381 nan 8.290 nan 0.000 0.559 1278 A N 0.756 123.732 122.820 0.259 0.000 1.898 1278 A HA 0.061 4.381 4.320 0.000 0.000 0.216 1278 A C 2.313 180.050 177.584 0.255 0.000 1.181 1278 A CA 1.792 54.043 52.037 0.357 0.000 0.620 1278 A CB -0.283 19.015 19.000 0.496 0.000 0.819 1278 A HN 0.366 nan 8.150 nan 0.000 0.442 1279 K N -1.577 118.868 120.400 0.075 0.000 2.057 1279 K HA -0.092 4.228 4.320 0.000 0.000 0.206 1279 K C 1.793 178.301 176.600 -0.154 0.000 1.050 1279 K CA 1.474 57.544 56.287 -0.361 0.000 0.935 1279 K CB -0.341 32.009 32.500 -0.250 0.000 0.715 1279 K HN 0.456 nan 8.250 nan 0.000 0.439 1280 F N 2.035 121.932 119.950 -0.089 0.000 2.026 1280 F HA -0.218 4.309 4.527 0.000 0.000 0.296 1280 F C 2.076 177.815 175.800 -0.102 0.000 1.133 1280 F CA 1.454 59.410 58.000 -0.073 0.000 1.188 1280 F CB -0.335 38.669 39.000 0.008 0.000 0.968 1280 F HN -0.120 nan 8.300 nan 0.000 0.476 1281 I N -0.316 120.345 120.570 0.152 0.000 2.145 1281 I HA -0.395 3.775 4.170 0.000 0.000 0.244 1281 I C 2.183 178.256 176.117 -0.072 0.000 1.075 1281 I CA 1.581 62.893 61.300 0.020 0.000 1.332 1281 I CB -0.457 37.619 38.000 0.127 0.000 1.033 1281 I HN 0.239 nan 8.210 nan 0.000 0.410 1282 M N 0.579 120.147 119.600 -0.053 0.000 2.476 1282 M HA 0.051 4.531 4.480 0.000 0.000 0.262 1282 M C 1.322 177.520 176.300 -0.171 0.000 1.079 1282 M CA 0.323 55.579 55.300 -0.074 0.000 1.104 1282 M CB -1.222 31.361 32.600 -0.028 0.000 1.409 1282 M HN 0.191 nan 8.290 nan 0.000 0.467 1283 G N 0.000 108.643 108.800 -0.261 0.000 5.446 1283 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1283 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1283 G CA 0.000 44.925 45.100 -0.292 0.000 0.502 1283 G HN 0.000 nan 8.290 nan 0.000 0.925