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 1a4m_1_C DATA FIRST_RESID 1004 DATA SEQUENCE TPAFNKPKVE LHVHLDGAIK PETILYFGKK RGIALPADTV EELRNIIGMD DATA SEQUENCE KPLSLPGFLA KFDYYMPVIA GCREAIKRIA YEFVEMKAKE GVVYVEVRYS DATA SEQUENCE PHLLANSKVD PMPWNQTEGD VTPDDVVDLV NQGLQEGEQA FGIKVRSILC DATA SEQUENCE CMRHQPSWSL EVLELCKKYN QKTVVAMDLA GDETIEGSSL FPGHVEAYEG DATA SEQUENCE AVKNGIHRTV HAGEVGSPEV VREAVDILKT ERVGHGYHTI EDEALYNRLL DATA SEQUENCE KENMHFEVCP WSSYLTGAWD PKTTHAVVRF KNDKANYSLN TDDPLIFKST DATA SEQUENCE LDTDYQMTKK DMGFTEEEFK RLNINAAKSS FLPEEEKKEL LERLYREYQ 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 1004 T HA 0.000 nan 4.350 nan 0.000 0.228 1004 T C 0.000 174.685 174.700 -0.026 0.000 1.109 1004 T CA 0.000 62.086 62.100 -0.023 0.000 1.349 1004 T CB 0.000 68.860 68.868 -0.013 0.000 0.612 1005 P HA 0.340 nan 4.420 nan 0.000 0.265 1005 P C 0.451 177.739 177.300 -0.020 0.000 1.193 1005 P CA -0.075 62.991 63.100 -0.056 0.000 0.765 1005 P CB 0.537 32.180 31.700 -0.095 0.000 0.823 1006 A N 3.026 125.848 122.820 0.002 0.000 1.972 1006 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 1006 A C 0.673 178.351 177.584 0.157 0.000 1.169 1006 A CA 1.239 53.330 52.037 0.090 0.000 0.635 1006 A CB -0.651 18.416 19.000 0.111 0.000 0.810 1006 A HN 0.534 nan 8.150 nan 0.000 0.446 1007 F N -0.071 119.753 119.950 -0.211 0.000 3.050 1007 F HA 0.385 4.912 4.527 -0.000 0.000 0.382 1007 F C -0.433 175.217 175.800 -0.250 0.000 1.246 1007 F CA -1.601 56.247 58.000 -0.253 0.000 1.217 1007 F CB 0.421 39.086 39.000 -0.560 0.000 1.795 1007 F HN 0.057 nan 8.300 nan 0.000 0.622 1008 N N 4.533 123.012 118.700 -0.368 0.000 3.254 1008 N HA 0.178 4.918 4.740 -0.000 0.000 0.308 1008 N C -1.008 174.211 175.510 -0.485 0.000 1.281 1008 N CA 0.389 53.227 53.050 -0.352 0.000 1.212 1008 N CB -0.080 38.290 38.487 -0.196 0.000 1.478 1008 N HN 0.514 nan 8.380 nan 0.000 0.548 1009 K N 0.255 120.185 120.400 -0.784 0.000 2.509 1009 K HA 0.434 4.754 4.320 -0.000 0.000 0.266 1009 K C -2.829 173.575 176.600 -0.326 0.000 0.987 1009 K CA -2.062 53.855 56.287 -0.617 0.000 0.868 1009 K CB 1.964 33.907 32.500 -0.928 0.000 1.421 1009 K HN 0.073 nan 8.250 nan 0.000 0.444 1010 P HA -0.007 nan 4.420 nan 0.000 0.264 1010 P C -1.183 176.230 177.300 0.189 0.000 1.193 1010 P CA 0.389 63.498 63.100 0.014 0.000 0.763 1010 P CB 0.495 32.154 31.700 -0.069 0.000 0.810 1011 K N 1.365 121.843 120.400 0.130 0.000 2.352 1011 K HA 0.694 5.014 4.320 -0.000 0.000 0.240 1011 K C -0.868 175.831 176.600 0.165 0.000 1.017 1011 K CA -1.194 55.217 56.287 0.207 0.000 0.851 1011 K CB 1.878 34.446 32.500 0.114 0.000 1.261 1011 K HN 0.100 nan 8.250 nan 0.000 0.451 1012 V N 1.094 121.129 119.914 0.201 0.000 2.531 1012 V HA 0.278 4.398 4.120 -0.000 0.000 0.301 1012 V C -0.975 175.219 176.094 0.168 0.000 1.034 1012 V CA -0.708 61.703 62.300 0.185 0.000 0.865 1012 V CB 1.556 33.505 31.823 0.209 0.000 0.995 1012 V HN 0.731 nan 8.190 nan 0.000 0.424 1013 E N 3.223 123.490 120.200 0.111 0.000 2.165 1013 E HA 0.476 4.826 4.350 -0.000 0.000 0.266 1013 E C -0.565 176.083 176.600 0.082 0.000 0.889 1013 E CA -0.622 55.858 56.400 0.133 0.000 0.756 1013 E CB 1.655 31.445 29.700 0.148 0.000 1.131 1013 E HN 0.502 nan 8.360 nan 0.000 0.411 1014 L N 3.081 124.385 121.223 0.135 0.000 2.701 1014 L HA 0.224 4.564 4.340 -0.000 0.000 0.238 1014 L C -0.140 176.844 176.870 0.191 0.000 1.106 1014 L CA 0.328 55.230 54.840 0.103 0.000 0.898 1014 L CB -0.072 42.027 42.059 0.067 0.000 1.188 1014 L HN 0.551 nan 8.230 nan 0.000 0.508 1015 H N -0.572 118.570 119.070 0.121 0.000 2.917 1015 H HA 0.663 5.219 4.556 -0.000 0.000 0.279 1015 H C -1.502 173.965 175.328 0.232 0.000 1.211 1015 H CA -0.312 55.817 56.048 0.135 0.000 1.534 1015 H CB 1.132 30.940 29.762 0.076 0.000 1.581 1015 H HN -0.219 nan 8.280 nan 0.000 0.510 1016 V N 5.471 125.462 119.914 0.127 0.000 2.924 1016 V HA 0.272 4.392 4.120 -0.000 0.000 0.300 1016 V C -1.378 174.806 176.094 0.150 0.000 1.227 1016 V CA -0.540 61.919 62.300 0.266 0.000 0.954 1016 V CB 1.936 33.979 31.823 0.366 0.000 1.055 1016 V HN 0.839 nan 8.190 nan 0.000 0.429 1017 H N 5.867 125.028 119.070 0.151 0.000 2.489 1017 H HA 0.266 4.821 4.556 -0.000 0.000 0.322 1017 H C 0.571 175.948 175.328 0.082 0.000 1.091 1017 H CA -0.253 55.888 56.048 0.155 0.000 1.291 1017 H CB 2.382 32.335 29.762 0.318 0.000 1.436 1017 H HN 0.667 nan 8.280 nan 0.000 0.480 1018 L N 3.640 124.871 121.223 0.014 0.000 2.017 1018 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 1018 L C 1.833 178.772 176.870 0.116 0.000 1.073 1018 L CA 1.887 56.650 54.840 -0.129 0.000 0.745 1018 L CB -0.463 41.433 42.059 -0.271 0.000 0.894 1018 L HN 0.711 nan 8.230 nan 0.000 0.432 1019 D N -1.372 119.192 120.400 0.274 0.000 2.378 1019 D HA -0.015 4.625 4.640 -0.000 0.000 0.227 1019 D C 1.574 178.177 176.300 0.504 0.000 1.012 1019 D CA 0.937 55.175 54.000 0.397 0.000 0.905 1019 D CB -0.592 40.488 40.800 0.467 0.000 0.895 1019 D HN 0.414 nan 8.370 nan 0.000 0.532 1020 G N -0.984 108.077 108.800 0.434 0.000 3.651 1020 G HA2 0.459 4.419 3.960 -0.000 0.000 0.279 1020 G HA3 0.459 4.419 3.960 -0.000 0.000 0.279 1020 G C 0.310 175.320 174.900 0.185 0.000 1.024 1020 G CA -0.039 45.223 45.100 0.269 0.000 0.813 1020 G HN 0.407 nan 8.290 nan 0.000 0.518 1021 A N 0.842 123.779 122.820 0.196 0.000 3.415 1021 A HA 0.638 4.958 4.320 -0.000 0.000 0.244 1021 A C -0.377 177.317 177.584 0.183 0.000 0.988 1021 A CA -0.328 51.844 52.037 0.227 0.000 0.991 1021 A CB -0.104 19.165 19.000 0.449 0.000 1.240 1021 A HN 0.191 nan 8.150 nan 0.000 0.541 1022 I N 0.251 120.850 120.570 0.048 0.000 2.525 1022 I HA 0.300 4.470 4.170 -0.000 0.000 0.301 1022 I C 0.275 176.375 176.117 -0.029 0.000 0.992 1022 I CA -0.829 60.485 61.300 0.024 0.000 1.162 1022 I CB 1.975 39.967 38.000 -0.014 0.000 1.332 1022 I HN 0.217 nan 8.210 nan 0.000 0.458 1023 K N 5.618 126.023 120.400 0.009 0.000 2.368 1023 K HA 0.128 4.448 4.320 -0.000 0.000 0.282 1023 K C -1.728 174.856 176.600 -0.028 0.000 1.035 1023 K CA -1.182 55.100 56.287 -0.009 0.000 0.973 1023 K CB 0.926 33.434 32.500 0.013 0.000 0.957 1023 K HN 0.246 nan 8.250 nan 0.000 0.474 1024 P HA -0.176 nan 4.420 nan 0.000 0.215 1024 P C 0.297 177.590 177.300 -0.010 0.000 1.153 1024 P CA 1.251 64.315 63.100 -0.059 0.000 0.853 1024 P CB 0.318 31.984 31.700 -0.057 0.000 0.788 1025 E N -1.246 118.956 120.200 0.003 0.000 2.110 1025 E HA -0.126 4.223 4.350 -0.000 0.000 0.193 1025 E C 1.914 178.553 176.600 0.066 0.000 0.988 1025 E CA 1.554 57.968 56.400 0.023 0.000 0.804 1025 E CB -1.324 28.380 29.700 0.006 0.000 0.745 1025 E HN 0.241 nan 8.360 nan 0.000 0.458 1026 T N 0.520 115.121 114.554 0.079 0.000 2.821 1026 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 1026 T C 1.882 176.750 174.700 0.280 0.000 1.046 1026 T CA 0.803 63.006 62.100 0.172 0.000 1.139 1026 T CB -0.166 68.810 68.868 0.181 0.000 0.871 1026 T HN 0.105 nan 8.240 nan 0.000 0.454 1027 I N 0.772 121.442 120.570 0.165 0.000 2.179 1027 I HA -0.128 4.042 4.170 -0.000 0.000 0.242 1027 I C 2.158 178.363 176.117 0.146 0.000 1.088 1027 I CA 0.791 62.186 61.300 0.158 0.000 1.357 1027 I CB -0.381 37.641 38.000 0.037 0.000 1.051 1027 I HN 0.160 nan 8.210 nan 0.000 0.409 1028 L N 0.053 121.330 121.223 0.089 0.000 2.042 1028 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 1028 L C 2.537 179.433 176.870 0.042 0.000 1.076 1028 L CA 1.964 56.836 54.840 0.054 0.000 0.749 1028 L CB -1.652 40.427 42.059 0.032 0.000 0.893 1028 L HN 0.290 nan 8.230 nan 0.000 0.432 1029 Y N -0.300 119.965 120.300 -0.058 0.000 2.097 1029 Y HA -0.307 4.243 4.550 -0.000 0.000 0.282 1029 Y C 2.444 178.199 175.900 -0.242 0.000 1.152 1029 Y CA 1.768 59.754 58.100 -0.191 0.000 1.136 1029 Y CB -0.496 37.775 38.460 -0.315 0.000 0.975 1029 Y HN 0.082 nan 8.280 nan 0.000 0.498 1030 F N -0.169 119.776 119.950 -0.008 0.000 2.367 1030 F HA 0.083 4.610 4.527 -0.000 0.000 0.298 1030 F C 2.528 178.275 175.800 -0.089 0.000 1.094 1030 F CA 1.084 59.036 58.000 -0.080 0.000 1.409 1030 F CB -0.996 38.042 39.000 0.065 0.000 1.064 1030 F HN 0.124 nan 8.300 nan 0.000 0.528 1031 G N -0.143 108.714 108.800 0.095 0.000 2.433 1031 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.216 1031 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.216 1031 G C 1.746 176.635 174.900 -0.018 0.000 1.186 1031 G CA 0.861 45.990 45.100 0.048 0.000 0.779 1031 G HN 0.266 nan 8.290 nan 0.000 0.543 1032 K N 0.488 120.842 120.400 -0.077 0.000 2.026 1032 K HA -0.099 4.221 4.320 -0.000 0.000 0.208 1032 K C 2.456 178.965 176.600 -0.151 0.000 1.048 1032 K CA 1.628 57.849 56.287 -0.110 0.000 0.929 1032 K CB -0.228 32.193 32.500 -0.131 0.000 0.713 1032 K HN 0.270 nan 8.250 nan 0.000 0.439 1033 K N 0.479 120.711 120.400 -0.279 0.000 2.063 1033 K HA -0.158 4.162 4.320 -0.000 0.000 0.208 1033 K C 1.921 178.461 176.600 -0.100 0.000 1.048 1033 K CA 1.526 57.649 56.287 -0.273 0.000 0.928 1033 K CB 0.074 32.261 32.500 -0.520 0.000 0.713 1033 K HN 0.133 nan 8.250 nan 0.000 0.442 1034 R N -1.199 119.283 120.500 -0.031 0.000 2.246 1034 R HA 0.077 4.417 4.340 -0.000 0.000 0.199 1034 R C 0.749 177.055 176.300 0.011 0.000 0.984 1034 R CA 0.573 56.686 56.100 0.022 0.000 1.015 1034 R CB 0.458 30.802 30.300 0.074 0.000 0.930 1034 R HN 0.428 nan 8.270 nan 0.000 0.475 1035 G N 1.902 110.699 108.800 -0.005 0.000 2.212 1035 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.255 1035 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.255 1035 G C -0.082 174.827 174.900 0.015 0.000 1.062 1035 G CA -0.170 44.930 45.100 -0.001 0.000 0.815 1035 G HN 0.215 nan 8.290 nan 0.000 0.497 1036 I N 0.779 121.362 120.570 0.023 0.000 2.404 1036 I HA 0.608 4.778 4.170 -0.000 0.000 0.293 1036 I C 0.890 177.027 176.117 0.034 0.000 0.992 1036 I CA -0.762 60.559 61.300 0.034 0.000 1.149 1036 I CB 1.835 39.862 38.000 0.045 0.000 1.315 1036 I HN 0.325 nan 8.210 nan 0.000 0.446 1037 A N 6.801 129.643 122.820 0.037 0.000 2.425 1037 A HA 0.563 4.883 4.320 -0.000 0.000 0.249 1037 A C -0.691 176.922 177.584 0.049 0.000 1.084 1037 A CA 0.006 52.065 52.037 0.037 0.000 0.781 1037 A CB 0.332 19.355 19.000 0.039 0.000 1.019 1037 A HN 0.507 nan 8.150 nan 0.000 0.490 1038 L N 2.842 124.088 121.223 0.039 0.000 2.323 1038 L HA 0.573 4.913 4.340 -0.000 0.000 0.265 1038 L C -1.271 175.605 176.870 0.010 0.000 1.012 1038 L CA -1.513 53.351 54.840 0.040 0.000 0.820 1038 L CB 1.657 43.732 42.059 0.027 0.000 1.334 1038 L HN 0.574 nan 8.230 nan 0.000 0.427 1039 P HA 0.111 nan 4.420 nan 0.000 0.237 1039 P C -0.437 176.799 177.300 -0.108 0.000 1.178 1039 P CA 0.471 63.507 63.100 -0.108 0.000 0.766 1039 P CB 0.712 32.196 31.700 -0.361 0.000 0.876 1040 A N -0.167 122.605 122.820 -0.080 0.000 2.606 1040 A HA 0.506 4.825 4.320 -0.000 0.000 0.293 1040 A C -0.415 177.148 177.584 -0.036 0.000 1.082 1040 A CA -0.569 51.431 52.037 -0.062 0.000 0.685 1040 A CB 0.804 19.756 19.000 -0.080 0.000 1.284 1040 A HN -0.177 nan 8.150 nan 0.000 0.408 1041 D N 0.499 120.883 120.400 -0.027 0.000 2.433 1041 D HA 0.141 4.781 4.640 -0.000 0.000 0.211 1041 D C 0.457 176.747 176.300 -0.016 0.000 1.114 1041 D CA 1.125 55.114 54.000 -0.018 0.000 0.837 1041 D CB 0.901 41.693 40.800 -0.014 0.000 0.984 1041 D HN 0.735 nan 8.370 nan 0.000 0.505 1042 T N -2.342 112.200 114.554 -0.020 0.000 2.916 1042 T HA 0.330 4.680 4.350 -0.000 0.000 0.292 1042 T C 1.318 176.005 174.700 -0.022 0.000 1.064 1042 T CA -0.638 61.451 62.100 -0.017 0.000 1.011 1042 T CB 2.292 71.151 68.868 -0.015 0.000 1.152 1042 T HN -0.192 nan 8.240 nan 0.000 0.510 1043 V N -0.358 119.545 119.914 -0.018 0.000 2.548 1043 V HA 0.016 4.136 4.120 -0.000 0.000 0.249 1043 V C 2.162 178.241 176.094 -0.025 0.000 1.055 1043 V CA 2.042 64.328 62.300 -0.023 0.000 1.065 1043 V CB -1.036 30.776 31.823 -0.019 0.000 0.681 1043 V HN 1.032 nan 8.190 nan 0.000 0.462 1044 E N 0.174 120.362 120.200 -0.019 0.000 2.031 1044 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 1044 E C 2.229 178.817 176.600 -0.021 0.000 0.994 1044 E CA 1.768 58.159 56.400 -0.015 0.000 0.800 1044 E CB -0.128 29.566 29.700 -0.010 0.000 0.752 1044 E HN 0.707 nan 8.360 nan 0.000 0.447 1045 E N 0.645 120.829 120.200 -0.027 0.000 2.153 1045 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 1045 E C 2.148 178.713 176.600 -0.060 0.000 0.988 1045 E CA 0.482 56.860 56.400 -0.037 0.000 0.811 1045 E CB -0.384 29.294 29.700 -0.037 0.000 0.746 1045 E HN 0.272 nan 8.360 nan 0.000 0.466 1046 L N 1.116 122.302 121.223 -0.062 0.000 2.093 1046 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 1046 L C 2.265 179.084 176.870 -0.085 0.000 1.085 1046 L CA 1.553 56.342 54.840 -0.085 0.000 0.755 1046 L CB -0.136 41.881 42.059 -0.069 0.000 0.904 1046 L HN -0.081 nan 8.230 nan 0.000 0.435 1047 R N -0.798 119.668 120.500 -0.056 0.000 2.092 1047 R HA -0.083 4.257 4.340 -0.000 0.000 0.231 1047 R C 1.920 178.210 176.300 -0.016 0.000 1.119 1047 R CA 1.159 57.236 56.100 -0.037 0.000 0.970 1047 R CB -0.382 29.909 30.300 -0.015 0.000 0.864 1047 R HN 0.423 nan 8.270 nan 0.000 0.440 1048 N N 0.783 119.472 118.700 -0.019 0.000 2.244 1048 N HA -0.136 4.604 4.740 -0.000 0.000 0.183 1048 N C 1.668 177.167 175.510 -0.018 0.000 1.016 1048 N CA 1.041 54.089 53.050 -0.004 0.000 0.866 1048 N CB 0.083 38.566 38.487 -0.007 0.000 0.980 1048 N HN 0.272 nan 8.380 nan 0.000 0.430 1049 I N -0.096 120.427 120.570 -0.077 0.000 2.628 1049 I HA 0.056 4.226 4.170 -0.000 0.000 0.255 1049 I C 1.618 177.672 176.117 -0.105 0.000 1.119 1049 I CA 0.362 61.580 61.300 -0.137 0.000 1.448 1049 I CB 0.226 38.047 38.000 -0.298 0.000 1.133 1049 I HN -0.072 nan 8.210 nan 0.000 0.438 1050 I N 0.972 121.486 120.570 -0.093 0.000 2.439 1050 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 1050 I C 1.528 177.678 176.117 0.054 0.000 1.139 1050 I CA 0.539 61.866 61.300 0.044 0.000 1.438 1050 I CB -0.769 37.225 38.000 -0.011 0.000 1.085 1050 I HN 0.241 nan 8.210 nan 0.000 0.427 1051 G N 1.363 110.183 108.800 0.034 0.000 2.557 1051 G HA2 0.636 4.595 3.960 -0.000 0.000 0.292 1051 G HA3 0.636 4.595 3.960 -0.000 0.000 0.292 1051 G C -0.392 174.586 174.900 0.129 0.000 1.237 1051 G CA -0.496 44.651 45.100 0.078 0.000 0.978 1051 G HN 0.123 nan 8.290 nan 0.000 0.498 1052 M N -0.660 119.054 119.600 0.191 0.000 2.470 1052 M HA 0.479 4.959 4.480 -0.000 0.000 0.285 1052 M C -1.536 174.904 176.300 0.233 0.000 1.213 1052 M CA -0.903 54.514 55.300 0.194 0.000 0.901 1052 M CB 2.832 35.557 32.600 0.208 0.000 1.718 1052 M HN 0.441 nan 8.290 nan 0.000 0.469 1053 D N -0.026 120.488 120.400 0.189 0.000 2.539 1053 D HA 0.320 4.959 4.640 -0.000 0.000 0.232 1053 D C -0.607 175.804 176.300 0.186 0.000 1.256 1053 D CA -0.088 54.062 54.000 0.250 0.000 0.810 1053 D CB 0.579 41.528 40.800 0.249 0.000 1.090 1053 D HN 0.677 nan 8.370 nan 0.000 0.519 1054 K N 0.568 121.003 120.400 0.059 0.000 2.469 1054 K HA 0.510 4.830 4.320 -0.000 0.000 0.254 1054 K C -2.975 173.510 176.600 -0.192 0.000 0.939 1054 K CA -1.937 54.323 56.287 -0.045 0.000 0.812 1054 K CB 2.550 35.052 32.500 0.003 0.000 1.301 1054 K HN -0.215 nan 8.250 nan 0.000 0.433 1055 P HA 0.072 nan 4.420 nan 0.000 0.267 1055 P C -0.474 176.720 177.300 -0.176 0.000 1.200 1055 P CA 0.073 62.927 63.100 -0.410 0.000 0.772 1055 P CB 0.668 32.047 31.700 -0.536 0.000 0.855 1056 L N 0.314 121.473 121.223 -0.107 0.000 2.874 1056 L HA 0.476 4.816 4.340 -0.000 0.000 0.221 1056 L C 0.224 177.084 176.870 -0.016 0.000 1.633 1056 L CA -0.120 54.708 54.840 -0.021 0.000 2.616 1056 L CB 0.266 42.361 42.059 0.060 0.000 2.435 1056 L HN 0.490 nan 8.230 nan 0.000 0.769 1057 S N -1.630 114.095 115.700 0.042 0.000 2.611 1057 S HA 0.270 4.740 4.470 -0.000 0.000 0.268 1057 S C -0.119 174.551 174.600 0.116 0.000 1.156 1057 S CA -0.631 57.593 58.200 0.041 0.000 0.817 1057 S CB 1.610 64.827 63.200 0.029 0.000 1.122 1057 S HN 0.278 nan 8.310 nan 0.000 0.466 1058 L N 1.424 122.709 121.223 0.103 0.000 2.017 1058 L HA 0.198 4.538 4.340 -0.000 0.000 0.208 1058 L C -1.152 175.854 176.870 0.227 0.000 1.073 1058 L CA 1.878 56.829 54.840 0.185 0.000 0.745 1058 L CB -1.470 40.658 42.059 0.115 0.000 0.894 1058 L HN 0.601 nan 8.230 nan 0.000 0.432 1059 P HA -0.082 nan 4.420 nan 0.000 0.217 1059 P C 1.545 178.890 177.300 0.075 0.000 1.150 1059 P CA 1.668 64.811 63.100 0.072 0.000 0.832 1059 P CB -0.312 31.405 31.700 0.029 0.000 0.787 1060 G N -0.951 107.908 108.800 0.098 0.000 2.422 1060 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 1060 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 1060 G C 1.339 176.317 174.900 0.129 0.000 1.140 1060 G CA 0.284 45.439 45.100 0.090 0.000 0.775 1060 G HN 0.247 nan 8.290 nan 0.000 0.545 1061 F N 1.163 121.170 119.950 0.094 0.000 2.128 1061 F HA 0.174 4.701 4.527 -0.000 0.000 0.295 1061 F C 2.252 178.168 175.800 0.193 0.000 1.100 1061 F CA 0.812 58.898 58.000 0.145 0.000 1.260 1061 F CB -0.267 38.855 39.000 0.203 0.000 1.009 1061 F HN 0.015 nan 8.300 nan 0.000 0.476 1062 L N 0.543 121.669 121.223 -0.161 0.000 2.265 1062 L HA -0.151 4.189 4.340 -0.000 0.000 0.215 1062 L C 2.556 179.381 176.870 -0.075 0.000 1.117 1062 L CA 0.946 55.671 54.840 -0.192 0.000 0.782 1062 L CB -1.056 40.984 42.059 -0.032 0.000 0.914 1062 L HN 0.341 nan 8.230 nan 0.000 0.441 1063 A N -0.896 121.876 122.820 -0.080 0.000 2.235 1063 A HA -0.057 4.263 4.320 -0.000 0.000 0.208 1063 A C 2.127 179.600 177.584 -0.186 0.000 1.172 1063 A CA 0.609 52.588 52.037 -0.097 0.000 0.786 1063 A CB -0.139 18.805 19.000 -0.094 0.000 0.804 1063 A HN 0.154 nan 8.150 nan 0.000 0.479 1064 K N -0.621 119.688 120.400 -0.152 0.000 2.167 1064 K HA -0.006 4.313 4.320 -0.000 0.000 0.203 1064 K C 1.230 177.718 176.600 -0.186 0.000 1.052 1064 K CA 0.817 57.028 56.287 -0.127 0.000 0.956 1064 K CB -0.497 31.944 32.500 -0.098 0.000 0.735 1064 K HN 0.538 nan 8.250 nan 0.000 0.451 1065 F N 2.538 122.263 119.950 -0.374 0.000 2.250 1065 F HA -0.189 4.338 4.527 -0.000 0.000 0.301 1065 F C 1.781 177.100 175.800 -0.802 0.000 1.077 1065 F CA 1.201 58.778 58.000 -0.704 0.000 1.348 1065 F CB -0.419 38.350 39.000 -0.385 0.000 1.040 1065 F HN 0.056 nan 8.300 nan 0.000 0.509 1066 D N -0.821 119.428 120.400 -0.251 0.000 2.149 1066 D HA -0.225 4.415 4.640 -0.000 0.000 0.198 1066 D C 2.076 178.216 176.300 -0.267 0.000 0.990 1066 D CA 1.455 55.340 54.000 -0.192 0.000 0.839 1066 D CB -0.678 40.045 40.800 -0.129 0.000 0.948 1066 D HN 0.264 nan 8.370 nan 0.000 0.460 1067 Y N -0.292 119.918 120.300 -0.150 0.000 2.181 1067 Y HA -0.193 4.357 4.550 -0.000 0.000 0.288 1067 Y C 2.199 178.070 175.900 -0.049 0.000 1.146 1067 Y CA 1.010 59.078 58.100 -0.054 0.000 1.164 1067 Y CB -0.825 37.661 38.460 0.045 0.000 0.982 1067 Y HN 0.273 nan 8.280 nan 0.000 0.515 1068 Y N -5.307 114.969 120.300 -0.041 0.000 2.535 1068 Y HA 0.232 4.782 4.550 -0.000 0.000 0.264 1068 Y C 1.858 177.608 175.900 -0.250 0.000 1.087 1068 Y CA -0.154 57.879 58.100 -0.113 0.000 1.285 1068 Y CB -0.795 37.612 38.460 -0.088 0.000 1.200 1068 Y HN -0.201 nan 8.280 nan 0.000 0.514 1069 M N 1.522 120.618 119.600 -0.840 0.000 2.143 1069 M HA -0.101 4.379 4.480 -0.000 0.000 0.258 1069 M C -0.793 175.071 176.300 -0.726 0.000 1.071 1069 M CA 1.563 56.296 55.300 -0.944 0.000 1.088 1069 M CB -2.167 29.328 32.600 -1.842 0.000 1.360 1069 M HN 0.227 nan 8.290 nan 0.000 0.404 1070 P HA -0.082 nan 4.420 nan 0.000 0.219 1070 P C 1.875 179.128 177.300 -0.079 0.000 1.146 1070 P CA 0.923 63.903 63.100 -0.200 0.000 0.808 1070 P CB -0.035 31.632 31.700 -0.055 0.000 0.779 1071 V N -0.845 119.031 119.914 -0.063 0.000 2.871 1071 V HA -0.120 3.999 4.120 -0.000 0.000 0.256 1071 V C 1.924 177.997 176.094 -0.036 0.000 1.082 1071 V CA 1.331 63.641 62.300 0.017 0.000 1.105 1071 V CB -0.631 31.245 31.823 0.087 0.000 0.713 1071 V HN 0.047 nan 8.190 nan 0.000 0.473 1072 I N -0.439 120.072 120.570 -0.098 0.000 2.947 1072 I HA 0.249 4.419 4.170 -0.000 0.000 0.263 1072 I C 1.494 177.528 176.117 -0.138 0.000 1.130 1072 I CA 0.630 61.825 61.300 -0.176 0.000 1.448 1072 I CB -1.197 36.741 38.000 -0.104 0.000 1.222 1072 I HN 0.213 nan 8.210 nan 0.000 0.453 1073 A N 0.922 123.702 122.820 -0.068 0.000 2.531 1073 A HA 0.370 4.690 4.320 -0.000 0.000 0.236 1073 A C 1.487 179.085 177.584 0.023 0.000 1.062 1073 A CA 0.889 52.943 52.037 0.029 0.000 0.760 1073 A CB -0.499 18.619 19.000 0.196 0.000 0.995 1073 A HN 0.859 nan 8.150 nan 0.000 0.501 1074 G N -0.089 108.723 108.800 0.020 0.000 2.155 1074 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.257 1074 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.257 1074 G C 0.345 175.236 174.900 -0.015 0.000 0.983 1074 G CA 0.556 45.663 45.100 0.012 0.000 0.676 1074 G HN 1.937 nan 8.290 nan 0.000 0.528 1075 C N 1.035 120.299 119.300 -0.060 0.000 2.321 1075 C HA 0.668 5.128 4.460 -0.000 0.000 0.323 1075 C C 1.964 176.892 174.990 -0.103 0.000 1.191 1075 C CA -0.517 58.450 59.018 -0.085 0.000 1.455 1075 C CB -0.102 27.536 27.740 -0.171 0.000 2.083 1075 C HN 0.525 nan 8.230 nan 0.000 0.442 1076 R N 1.785 122.258 120.500 -0.045 0.000 2.103 1076 R HA -0.179 4.160 4.340 -0.000 0.000 0.242 1076 R C 2.033 178.315 176.300 -0.030 0.000 1.142 1076 R CA 2.093 58.172 56.100 -0.034 0.000 0.960 1076 R CB -0.107 30.189 30.300 -0.006 0.000 0.858 1076 R HN 0.850 nan 8.270 nan 0.000 0.439 1077 E N 0.605 120.812 120.200 0.012 0.000 2.077 1077 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 1077 E C 1.940 178.560 176.600 0.034 0.000 0.989 1077 E CA 1.192 57.645 56.400 0.090 0.000 0.800 1077 E CB -0.001 29.849 29.700 0.250 0.000 0.746 1077 E HN 0.387 nan 8.360 nan 0.000 0.452 1078 A N 0.967 123.608 122.820 -0.299 0.000 1.898 1078 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 1078 A C 2.131 179.562 177.584 -0.256 0.000 1.181 1078 A CA 1.111 52.747 52.037 -0.668 0.000 0.620 1078 A CB -0.529 17.683 19.000 -1.312 0.000 0.819 1078 A HN 0.285 nan 8.150 nan 0.000 0.442 1079 I N -0.439 120.015 120.570 -0.193 0.000 2.127 1079 I HA -0.286 3.883 4.170 -0.000 0.000 0.241 1079 I C 2.560 178.624 176.117 -0.088 0.000 1.075 1079 I CA 2.012 63.230 61.300 -0.136 0.000 1.334 1079 I CB -0.286 37.640 38.000 -0.123 0.000 1.040 1079 I HN 0.349 nan 8.210 nan 0.000 0.405 1080 K N 1.022 121.392 120.400 -0.049 0.000 2.097 1080 K HA -0.226 4.094 4.320 -0.000 0.000 0.206 1080 K C 2.423 179.057 176.600 0.057 0.000 1.049 1080 K CA 1.320 57.606 56.287 -0.002 0.000 0.933 1080 K CB -0.087 32.417 32.500 0.006 0.000 0.717 1080 K HN 0.131 nan 8.250 nan 0.000 0.442 1081 R N 1.383 121.925 120.500 0.071 0.000 2.073 1081 R HA -0.134 4.206 4.340 -0.000 0.000 0.234 1081 R C 2.448 178.847 176.300 0.166 0.000 1.134 1081 R CA 1.907 58.090 56.100 0.139 0.000 0.952 1081 R CB -0.531 29.890 30.300 0.202 0.000 0.850 1081 R HN 0.467 nan 8.270 nan 0.000 0.433 1082 I N -1.509 119.123 120.570 0.104 0.000 2.335 1082 I HA -0.119 4.051 4.170 -0.000 0.000 0.251 1082 I C 2.232 178.423 176.117 0.124 0.000 1.129 1082 I CA 1.686 63.049 61.300 0.105 0.000 1.402 1082 I CB -0.549 37.480 38.000 0.048 0.000 1.069 1082 I HN 0.093 nan 8.210 nan 0.000 0.424 1083 A N 0.792 123.661 122.820 0.081 0.000 1.898 1083 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 1083 A C 2.340 180.052 177.584 0.214 0.000 1.181 1083 A CA 1.615 53.705 52.037 0.089 0.000 0.620 1083 A CB -1.187 17.818 19.000 0.009 0.000 0.819 1083 A HN 0.653 nan 8.150 nan 0.000 0.442 1084 Y N 0.650 121.022 120.300 0.120 0.000 2.163 1084 Y HA -0.176 4.373 4.550 -0.000 0.000 0.288 1084 Y C 2.291 178.304 175.900 0.188 0.000 1.136 1084 Y CA 2.257 60.461 58.100 0.173 0.000 1.147 1084 Y CB -0.252 38.293 38.460 0.142 0.000 0.987 1084 Y HN 0.446 nan 8.280 nan 0.000 0.509 1085 E N -0.665 119.684 120.200 0.248 0.000 2.110 1085 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 1085 E C 1.945 178.535 176.600 -0.017 0.000 0.988 1085 E CA 1.240 57.696 56.400 0.092 0.000 0.804 1085 E CB -0.423 29.358 29.700 0.135 0.000 0.745 1085 E HN 0.550 nan 8.360 nan 0.000 0.458 1086 F N 0.952 120.877 119.950 -0.042 0.000 2.095 1086 F HA -0.238 4.289 4.527 -0.000 0.000 0.298 1086 F C 2.026 177.759 175.800 -0.111 0.000 1.104 1086 F CA 1.144 59.112 58.000 -0.055 0.000 1.232 1086 F CB -0.211 38.781 39.000 -0.014 0.000 0.987 1086 F HN -0.192 nan 8.300 nan 0.000 0.475 1087 V N 0.582 120.473 119.914 -0.039 0.000 2.343 1087 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 1087 V C 2.381 178.202 176.094 -0.454 0.000 1.051 1087 V CA 2.258 64.475 62.300 -0.138 0.000 1.036 1087 V CB -0.888 30.976 31.823 0.068 0.000 0.654 1087 V HN 0.484 nan 8.190 nan 0.000 0.451 1088 E N -0.254 119.497 120.200 -0.749 0.000 2.077 1088 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 1088 E C 2.270 178.442 176.600 -0.714 0.000 0.989 1088 E CA 1.534 57.160 56.400 -1.291 0.000 0.800 1088 E CB -0.148 28.850 29.700 -1.170 0.000 0.746 1088 E HN 0.547 nan 8.360 nan 0.000 0.452 1089 M N 0.250 119.544 119.600 -0.511 0.000 2.067 1089 M HA -0.157 4.323 4.480 -0.000 0.000 0.260 1089 M C 2.272 178.332 176.300 -0.401 0.000 1.069 1089 M CA 1.337 56.400 55.300 -0.395 0.000 1.117 1089 M CB -0.090 32.303 32.600 -0.345 0.000 1.334 1089 M HN -0.060 nan 8.290 nan 0.000 0.407 1090 K N 0.332 120.413 120.400 -0.530 0.000 2.147 1090 K HA -0.061 4.258 4.320 -0.000 0.000 0.205 1090 K C 1.990 178.426 176.600 -0.273 0.000 1.049 1090 K CA 1.502 57.535 56.287 -0.423 0.000 0.936 1090 K CB -0.715 31.453 32.500 -0.554 0.000 0.722 1090 K HN 0.353 nan 8.250 nan 0.000 0.446 1091 A N 1.811 124.457 122.820 -0.289 0.000 1.877 1091 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 1091 A C 1.992 179.470 177.584 -0.177 0.000 1.186 1091 A CA 1.629 53.549 52.037 -0.195 0.000 0.620 1091 A CB -0.339 18.535 19.000 -0.210 0.000 0.822 1091 A HN 0.284 nan 8.150 nan 0.000 0.443 1092 K N -0.228 120.039 120.400 -0.222 0.000 2.442 1092 K HA -0.069 4.251 4.320 -0.000 0.000 0.198 1092 K C 1.244 177.753 176.600 -0.152 0.000 1.042 1092 K CA 1.108 57.291 56.287 -0.174 0.000 0.958 1092 K CB -0.041 32.349 32.500 -0.185 0.000 0.766 1092 K HN 0.608 nan 8.250 nan 0.000 0.474 1093 E N -0.361 119.741 120.200 -0.163 0.000 2.489 1093 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 1093 E C 0.661 177.173 176.600 -0.148 0.000 1.057 1093 E CA 0.221 56.533 56.400 -0.147 0.000 0.866 1093 E CB 0.501 30.118 29.700 -0.138 0.000 0.916 1093 E HN 0.447 nan 8.360 nan 0.000 0.500 1094 G N 1.063 109.782 108.800 -0.134 0.000 2.141 1094 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.231 1094 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.231 1094 G C 0.230 175.080 174.900 -0.083 0.000 0.984 1094 G CA -0.019 45.008 45.100 -0.122 0.000 0.660 1094 G HN 0.138 nan 8.290 nan 0.000 0.525 1095 V N 1.361 121.230 119.914 -0.074 0.000 2.530 1095 V HA 0.400 4.520 4.120 -0.000 0.000 0.282 1095 V C 1.760 177.853 176.094 -0.000 0.000 1.048 1095 V CA 0.313 62.597 62.300 -0.027 0.000 0.997 1095 V CB 1.515 33.312 31.823 -0.044 0.000 0.987 1095 V HN 0.886 nan 8.190 nan 0.000 0.477 1096 V N 2.175 122.118 119.914 0.047 0.000 3.565 1096 V HA 0.356 4.476 4.120 -0.000 0.000 0.260 1096 V C 0.081 176.278 176.094 0.172 0.000 1.231 1096 V CA 0.382 62.726 62.300 0.074 0.000 1.100 1096 V CB -0.306 31.542 31.823 0.042 0.000 0.807 1096 V HN 0.690 nan 8.190 nan 0.000 0.454 1097 Y N 0.688 121.007 120.300 0.032 0.000 2.441 1097 Y HA 0.713 5.263 4.550 -0.000 0.000 0.334 1097 Y C -1.380 174.566 175.900 0.077 0.000 1.061 1097 Y CA -1.491 56.638 58.100 0.049 0.000 1.032 1097 Y CB 2.176 40.656 38.460 0.034 0.000 1.266 1097 Y HN -0.029 nan 8.280 nan 0.000 0.441 1098 V N 3.900 123.454 119.914 -0.600 0.000 2.686 1098 V HA 0.514 4.634 4.120 -0.000 0.000 0.306 1098 V C -1.028 174.775 176.094 -0.485 0.000 1.065 1098 V CA -1.138 60.930 62.300 -0.387 0.000 0.894 1098 V CB 1.916 33.751 31.823 0.021 0.000 1.004 1098 V HN 0.767 nan 8.190 nan 0.000 0.424 1099 E N 2.444 122.457 120.200 -0.312 0.000 2.113 1099 E HA 0.618 4.968 4.350 -0.000 0.000 0.273 1099 E C -1.177 175.406 176.600 -0.029 0.000 0.924 1099 E CA -0.566 55.752 56.400 -0.137 0.000 0.764 1099 E CB 2.318 31.991 29.700 -0.045 0.000 1.104 1099 E HN 0.606 nan 8.360 nan 0.000 0.406 1100 V N 3.518 123.408 119.914 -0.041 0.000 2.483 1100 V HA 0.505 4.625 4.120 -0.000 0.000 0.295 1100 V C 0.097 176.156 176.094 -0.057 0.000 1.035 1100 V CA -0.967 61.251 62.300 -0.136 0.000 0.896 1100 V CB 1.196 32.772 31.823 -0.413 0.000 0.986 1100 V HN 0.657 nan 8.190 nan 0.000 0.447 1101 R N 3.525 123.956 120.500 -0.114 0.000 2.832 1101 R HA 0.888 5.228 4.340 -0.000 0.000 0.271 1101 R C -1.364 174.909 176.300 -0.045 0.000 0.996 1101 R CA -0.700 55.320 56.100 -0.133 0.000 0.977 1101 R CB 2.107 32.239 30.300 -0.280 0.000 1.168 1101 R HN 0.832 nan 8.270 nan 0.000 0.482 1102 Y N -2.716 117.500 120.300 -0.140 0.000 2.774 1102 Y HA 0.398 4.948 4.550 -0.000 0.000 0.346 1102 Y C -1.669 174.252 175.900 0.034 0.000 1.222 1102 Y CA -1.246 56.839 58.100 -0.025 0.000 1.088 1102 Y CB 1.019 39.477 38.460 -0.004 0.000 1.354 1102 Y HN 0.651 nan 8.280 nan 0.000 0.455 1103 S N 3.292 119.064 115.700 0.120 0.000 2.410 1103 S HA 0.420 4.889 4.470 -0.000 0.000 0.304 1103 S C -1.816 172.878 174.600 0.156 0.000 1.095 1103 S CA -1.656 56.596 58.200 0.087 0.000 1.089 1103 S CB 0.792 64.123 63.200 0.217 0.000 0.968 1103 S HN 0.571 nan 8.310 nan 0.000 0.480 1104 P HA -0.101 nan 4.420 nan 0.000 0.220 1104 P C 0.493 177.696 177.300 -0.163 0.000 1.148 1104 P CA 1.268 64.373 63.100 0.008 0.000 0.803 1104 P CB -0.050 31.546 31.700 -0.172 0.000 0.782 1105 H N -0.370 118.554 119.070 -0.243 0.000 2.428 1105 H HA 0.073 4.629 4.556 -0.000 0.000 0.296 1105 H C 1.998 177.134 175.328 -0.321 0.000 1.062 1105 H CA 0.753 56.475 56.048 -0.543 0.000 1.350 1105 H CB -0.897 28.029 29.762 -1.393 0.000 1.403 1105 H HN 0.052 nan 8.280 nan 0.000 0.533 1106 L N 0.027 121.287 121.223 0.063 0.000 2.551 1106 L HA -0.071 4.269 4.340 -0.000 0.000 0.228 1106 L C 0.560 177.640 176.870 0.350 0.000 1.153 1106 L CA 0.227 55.221 54.840 0.257 0.000 0.851 1106 L CB 0.129 42.425 42.059 0.395 0.000 0.959 1106 L HN 0.283 nan 8.230 nan 0.000 0.451 1107 L N -1.066 120.266 121.223 0.181 0.000 2.858 1107 L HA 0.374 4.714 4.340 -0.000 0.000 0.251 1107 L C 0.888 177.794 176.870 0.061 0.000 1.149 1107 L CA 0.071 54.992 54.840 0.135 0.000 0.955 1107 L CB -0.220 41.885 42.059 0.077 0.000 1.289 1107 L HN -0.022 nan 8.230 nan 0.000 0.542 1108 A N 0.368 123.200 122.820 0.019 0.000 2.294 1108 A HA 0.613 4.933 4.320 -0.000 0.000 0.330 1108 A C 0.652 178.242 177.584 0.010 0.000 1.133 1108 A CA -0.159 51.864 52.037 -0.024 0.000 0.836 1108 A CB 0.373 19.308 19.000 -0.109 0.000 1.190 1108 A HN 0.478 nan 8.150 nan 0.000 0.492 1109 N N -0.738 117.965 118.700 0.005 0.000 2.184 1109 N HA 0.203 4.943 4.740 -0.000 0.000 0.234 1109 N C -0.460 175.055 175.510 0.008 0.000 1.282 1109 N CA 0.001 53.065 53.050 0.023 0.000 0.877 1109 N CB 0.845 39.356 38.487 0.040 0.000 1.184 1109 N HN 0.369 nan 8.380 nan 0.000 0.510 1110 S N 0.720 116.412 115.700 -0.012 0.000 2.541 1110 S HA 0.294 4.764 4.470 -0.000 0.000 0.280 1110 S C -0.814 173.770 174.600 -0.027 0.000 1.112 1110 S CA -0.516 57.677 58.200 -0.011 0.000 0.925 1110 S CB 0.948 64.142 63.200 -0.010 0.000 1.067 1110 S HN 0.288 nan 8.310 nan 0.000 0.479 1111 K N 1.049 121.442 120.400 -0.011 0.000 3.278 1111 K HA -0.137 4.183 4.320 -0.000 0.000 0.270 1111 K C -1.077 175.512 176.600 -0.018 0.000 0.955 1111 K CA 0.669 56.950 56.287 -0.009 0.000 0.723 1111 K CB -1.706 30.785 32.500 -0.014 0.000 1.382 1111 K HN 0.352 nan 8.250 nan 0.000 0.461 1112 V N 0.353 120.264 119.914 -0.004 0.000 2.668 1112 V HA 0.334 4.454 4.120 -0.000 0.000 0.304 1112 V C -0.832 175.325 176.094 0.106 0.000 1.071 1112 V CA -0.868 61.428 62.300 -0.006 0.000 0.894 1112 V CB 2.193 33.946 31.823 -0.117 0.000 1.008 1112 V HN 0.285 nan 8.190 nan 0.000 0.425 1113 D N 5.544 126.088 120.400 0.240 0.000 2.863 1113 D HA 0.628 5.268 4.640 -0.000 0.000 0.245 1113 D C -2.561 173.937 176.300 0.331 0.000 1.211 1113 D CA -1.299 52.833 54.000 0.219 0.000 0.888 1113 D CB 3.118 43.994 40.800 0.125 0.000 1.483 1113 D HN 0.360 nan 8.370 nan 0.000 0.533 1114 P HA 0.201 nan 4.420 nan 0.000 0.274 1114 P C -0.346 177.052 177.300 0.164 0.000 1.246 1114 P CA -0.676 62.498 63.100 0.123 0.000 0.795 1114 P CB 0.598 32.315 31.700 0.029 0.000 1.006 1115 M N 2.520 122.167 119.600 0.077 0.000 2.217 1115 M HA 0.271 4.751 4.480 -0.000 0.000 0.352 1115 M C -2.373 173.926 176.300 -0.003 0.000 1.376 1115 M CA -1.970 53.360 55.300 0.050 0.000 1.107 1115 M CB -0.474 32.148 32.600 0.038 0.000 1.723 1115 M HN 0.119 nan 8.290 nan 0.000 0.461 1116 P HA 0.133 nan 4.420 nan 0.000 0.271 1116 P C -1.007 176.140 177.300 -0.254 0.000 1.218 1116 P CA 0.304 63.210 63.100 -0.322 0.000 0.780 1116 P CB 0.152 31.682 31.700 -0.283 0.000 0.901 1117 W N 1.107 122.446 121.300 0.065 0.000 4.973 1117 W HA -0.292 4.368 4.660 -0.000 0.000 0.350 1117 W C 0.218 176.756 176.519 0.031 0.000 1.280 1117 W CA 0.572 57.938 57.345 0.034 0.000 0.854 1117 W CB -3.235 26.241 29.460 0.025 0.000 2.367 1117 W HN 0.554 nan 8.180 nan 0.000 1.511 1118 N N -1.474 117.290 118.700 0.106 0.000 2.714 1118 N HA -0.254 4.485 4.740 -0.000 0.000 0.250 1118 N C 0.307 175.878 175.510 0.102 0.000 1.117 1118 N CA 1.455 54.557 53.050 0.086 0.000 0.719 1118 N CB -0.952 37.587 38.487 0.086 0.000 1.081 1118 N HN 0.572 nan 8.380 nan 0.000 0.557 1119 Q N 0.093 119.967 119.800 0.123 0.000 2.454 1119 Q HA 0.208 4.548 4.340 -0.000 0.000 0.247 1119 Q C 0.272 176.315 176.000 0.071 0.000 1.028 1119 Q CA 0.346 56.215 55.803 0.110 0.000 0.910 1119 Q CB 0.539 29.354 28.738 0.128 0.000 1.276 1119 Q HN 0.153 nan 8.270 nan 0.000 0.489 1120 T N 1.708 116.298 114.554 0.060 0.000 2.904 1120 T HA 0.058 4.408 4.350 -0.000 0.000 0.290 1120 T C 0.076 174.800 174.700 0.040 0.000 1.018 1120 T CA -0.752 61.374 62.100 0.044 0.000 1.075 1120 T CB 0.727 69.618 68.868 0.038 0.000 0.986 1120 T HN 0.349 nan 8.240 nan 0.000 0.523 1121 E N 1.038 121.257 120.200 0.032 0.000 2.529 1121 E HA 0.197 4.547 4.350 -0.000 0.000 0.259 1121 E C 0.464 177.079 176.600 0.024 0.000 0.966 1121 E CA 0.403 56.819 56.400 0.026 0.000 0.937 1121 E CB 0.703 30.416 29.700 0.021 0.000 0.923 1121 E HN 0.838 nan 8.360 nan 0.000 0.468 1122 G N 1.883 110.696 108.800 0.021 0.000 3.247 1122 G HA2 0.224 4.184 3.960 -0.000 0.000 0.226 1122 G HA3 0.224 4.184 3.960 -0.000 0.000 0.226 1122 G C -0.315 174.592 174.900 0.011 0.000 1.220 1122 G CA -0.084 45.027 45.100 0.018 0.000 0.875 1122 G HN 0.518 nan 8.290 nan 0.000 0.606 1123 D N -1.211 119.194 120.400 0.008 0.000 2.540 1123 D HA 0.115 4.755 4.640 -0.000 0.000 0.229 1123 D C 0.028 176.327 176.300 -0.003 0.000 1.250 1123 D CA -0.119 53.883 54.000 0.004 0.000 0.817 1123 D CB 0.392 41.196 40.800 0.006 0.000 1.060 1123 D HN 0.167 nan 8.370 nan 0.000 0.508 1124 V N 2.325 122.235 119.914 -0.006 0.000 2.368 1124 V HA 0.357 4.477 4.120 -0.000 0.000 0.266 1124 V C 0.926 177.001 176.094 -0.032 0.000 1.045 1124 V CA -0.179 62.112 62.300 -0.016 0.000 0.899 1124 V CB 0.524 32.338 31.823 -0.015 0.000 1.006 1124 V HN 0.376 nan 8.190 nan 0.000 0.470 1125 T N 3.320 117.850 114.554 -0.040 0.000 2.881 1125 T HA 0.405 4.755 4.350 -0.000 0.000 0.278 1125 T C -1.836 172.798 174.700 -0.111 0.000 0.982 1125 T CA -2.022 60.038 62.100 -0.068 0.000 0.989 1125 T CB 1.775 70.613 68.868 -0.049 0.000 1.058 1125 T HN 0.307 nan 8.240 nan 0.000 0.529 1126 P HA -0.121 nan 4.420 nan 0.000 0.215 1126 P C 1.364 178.553 177.300 -0.184 0.000 1.153 1126 P CA 0.957 63.865 63.100 -0.320 0.000 0.853 1126 P CB 0.026 31.363 31.700 -0.604 0.000 0.788 1127 D N -0.605 119.737 120.400 -0.096 0.000 2.097 1127 D HA -0.187 4.453 4.640 -0.000 0.000 0.195 1127 D C 1.288 177.593 176.300 0.008 0.000 0.989 1127 D CA 1.306 55.320 54.000 0.023 0.000 0.827 1127 D CB -0.346 40.495 40.800 0.068 0.000 0.966 1127 D HN 0.005 nan 8.370 nan 0.000 0.456 1128 D N 0.330 120.721 120.400 -0.014 0.000 2.123 1128 D HA -0.161 4.479 4.640 -0.000 0.000 0.196 1128 D C 2.141 178.413 176.300 -0.048 0.000 0.992 1128 D CA 1.064 55.053 54.000 -0.017 0.000 0.833 1128 D CB -0.544 40.245 40.800 -0.018 0.000 0.954 1128 D HN 0.255 nan 8.370 nan 0.000 0.455 1129 V N 0.102 119.980 119.914 -0.059 0.000 2.407 1129 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 1129 V C 2.142 178.199 176.094 -0.061 0.000 1.055 1129 V CA 1.417 63.684 62.300 -0.054 0.000 1.049 1129 V CB -0.360 31.448 31.823 -0.024 0.000 0.662 1129 V HN 0.048 nan 8.190 nan 0.000 0.455 1130 V N 1.165 121.027 119.914 -0.086 0.000 2.343 1130 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 1130 V C 2.486 178.365 176.094 -0.357 0.000 1.051 1130 V CA 2.633 64.819 62.300 -0.191 0.000 1.036 1130 V CB -0.920 30.674 31.823 -0.382 0.000 0.654 1130 V HN 0.770 nan 8.190 nan 0.000 0.451 1131 D N -0.404 119.799 120.400 -0.330 0.000 2.117 1131 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 1131 D C 1.929 178.169 176.300 -0.101 0.000 0.987 1131 D CA 1.028 54.905 54.000 -0.204 0.000 0.829 1131 D CB -0.063 40.729 40.800 -0.014 0.000 0.961 1131 D HN 0.179 nan 8.370 nan 0.000 0.460 1132 L N 0.122 121.294 121.223 -0.084 0.000 2.017 1132 L HA -0.091 4.249 4.340 -0.000 0.000 0.208 1132 L C 2.581 179.408 176.870 -0.072 0.000 1.073 1132 L CA 0.996 55.800 54.840 -0.060 0.000 0.745 1132 L CB -1.015 41.007 42.059 -0.063 0.000 0.894 1132 L HN 0.076 nan 8.230 nan 0.000 0.432 1133 V N -0.225 119.615 119.914 -0.122 0.000 2.343 1133 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 1133 V C 2.163 178.216 176.094 -0.067 0.000 1.051 1133 V CA 1.856 64.067 62.300 -0.149 0.000 1.036 1133 V CB -0.791 30.841 31.823 -0.319 0.000 0.654 1133 V HN 0.539 nan 8.190 nan 0.000 0.451 1134 N N -0.306 118.353 118.700 -0.069 0.000 2.061 1134 N HA -0.268 4.472 4.740 -0.000 0.000 0.193 1134 N C 1.952 177.475 175.510 0.021 0.000 1.030 1134 N CA 1.540 54.577 53.050 -0.022 0.000 0.856 1134 N CB -0.199 38.255 38.487 -0.055 0.000 1.023 1134 N HN 0.576 nan 8.380 nan 0.000 0.424 1135 Q N 0.022 119.831 119.800 0.014 0.000 2.077 1135 Q HA -0.146 4.194 4.340 -0.000 0.000 0.206 1135 Q C 2.392 178.439 176.000 0.078 0.000 0.989 1135 Q CA 1.567 57.394 55.803 0.041 0.000 0.853 1135 Q CB -0.326 28.427 28.738 0.025 0.000 0.907 1135 Q HN 0.480 nan 8.270 nan 0.000 0.418 1136 G N 0.578 109.428 108.800 0.083 0.000 2.408 1136 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 1136 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 1136 G C 1.402 176.422 174.900 0.200 0.000 1.150 1136 G CA 0.404 45.607 45.100 0.172 0.000 0.776 1136 G HN 0.158 nan 8.290 nan 0.000 0.542 1137 L N -0.328 120.969 121.223 0.123 0.000 2.046 1137 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 1137 L C 3.136 180.081 176.870 0.125 0.000 1.077 1137 L CA 1.248 56.162 54.840 0.124 0.000 0.747 1137 L CB -0.453 41.659 42.059 0.089 0.000 0.896 1137 L HN 0.279 nan 8.230 nan 0.000 0.432 1138 Q N -0.156 119.710 119.800 0.109 0.000 2.046 1138 Q HA -0.210 4.129 4.340 -0.000 0.000 0.200 1138 Q C 2.146 178.205 176.000 0.099 0.000 0.975 1138 Q CA 1.555 57.415 55.803 0.096 0.000 0.836 1138 Q CB -0.025 28.760 28.738 0.080 0.000 0.896 1138 Q HN 0.478 nan 8.270 nan 0.000 0.428 1139 E N -0.214 120.067 120.200 0.135 0.000 2.118 1139 E HA -0.178 4.172 4.350 -0.000 0.000 0.195 1139 E C 2.007 178.706 176.600 0.166 0.000 0.992 1139 E CA 0.957 57.456 56.400 0.165 0.000 0.804 1139 E CB -0.236 29.596 29.700 0.219 0.000 0.741 1139 E HN 0.481 nan 8.360 nan 0.000 0.458 1140 G N 1.242 110.141 108.800 0.166 0.000 2.418 1140 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 1140 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 1140 G C 1.406 176.318 174.900 0.020 0.000 1.158 1140 G CA 0.842 45.923 45.100 -0.031 0.000 0.771 1140 G HN 0.277 nan 8.290 nan 0.000 0.545 1141 E N -0.162 120.082 120.200 0.072 0.000 2.085 1141 E HA -0.211 4.138 4.350 -0.000 0.000 0.194 1141 E C 2.521 179.128 176.600 0.012 0.000 0.994 1141 E CA 1.286 57.729 56.400 0.072 0.000 0.801 1141 E CB -0.058 29.696 29.700 0.090 0.000 0.743 1141 E HN 0.403 nan 8.360 nan 0.000 0.453 1142 Q N -0.122 119.669 119.800 -0.015 0.000 2.119 1142 Q HA -0.015 4.325 4.340 -0.000 0.000 0.201 1142 Q C 1.860 177.784 176.000 -0.126 0.000 0.972 1142 Q CA 1.718 57.496 55.803 -0.041 0.000 0.847 1142 Q CB -0.143 28.583 28.738 -0.019 0.000 0.903 1142 Q HN 0.385 nan 8.270 nan 0.000 0.433 1143 A N -1.142 121.512 122.820 -0.276 0.000 2.016 1143 A HA -0.007 4.313 4.320 -0.000 0.000 0.217 1143 A C 0.996 178.138 177.584 -0.738 0.000 1.162 1143 A CA 0.804 52.508 52.037 -0.556 0.000 0.662 1143 A CB -0.117 18.413 19.000 -0.783 0.000 0.812 1143 A HN 0.352 nan 8.150 nan 0.000 0.450 1144 F N -1.157 118.767 119.950 -0.043 0.000 2.682 1144 F HA 0.384 4.911 4.527 -0.000 0.000 0.308 1144 F C 1.674 177.451 175.800 -0.038 0.000 1.093 1144 F CA -0.261 57.702 58.000 -0.061 0.000 1.244 1144 F CB -0.151 38.778 39.000 -0.118 0.000 1.052 1144 F HN 0.261 nan 8.300 nan 0.000 0.573 1145 G N 2.270 111.108 108.800 0.065 0.000 2.249 1145 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.273 1145 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.273 1145 G C 0.133 175.074 174.900 0.068 0.000 1.036 1145 G CA 0.657 45.788 45.100 0.052 0.000 0.824 1145 G HN 0.548 nan 8.290 nan 0.000 0.504 1146 I N -3.907 116.718 120.570 0.092 0.000 2.846 1146 I HA 0.900 5.069 4.170 -0.000 0.000 0.307 1146 I C -0.211 175.981 176.117 0.124 0.000 1.053 1146 I CA -1.978 59.378 61.300 0.094 0.000 1.050 1146 I CB 1.864 39.907 38.000 0.073 0.000 1.239 1146 I HN -0.074 nan 8.210 nan 0.000 0.439 1147 K N 3.051 123.558 120.400 0.177 0.000 2.234 1147 K HA 0.628 4.948 4.320 -0.000 0.000 0.282 1147 K C -1.370 175.399 176.600 0.282 0.000 1.039 1147 K CA -0.283 56.163 56.287 0.264 0.000 0.928 1147 K CB 1.238 33.947 32.500 0.349 0.000 1.039 1147 K HN 0.573 nan 8.250 nan 0.000 0.470 1148 V N 5.666 125.714 119.914 0.223 0.000 2.623 1148 V HA 0.565 4.685 4.120 -0.000 0.000 0.304 1148 V C -0.479 175.710 176.094 0.160 0.000 1.054 1148 V CA -0.979 61.404 62.300 0.139 0.000 0.882 1148 V CB 1.632 33.538 31.823 0.137 0.000 1.002 1148 V HN 0.718 nan 8.190 nan 0.000 0.424 1149 R N 1.934 122.496 120.500 0.105 0.000 2.912 1149 R HA 0.838 5.178 4.340 -0.000 0.000 0.262 1149 R C -0.408 175.946 176.300 0.089 0.000 1.057 1149 R CA -0.593 55.595 56.100 0.147 0.000 0.981 1149 R CB 2.360 32.813 30.300 0.254 0.000 1.201 1149 R HN 0.864 nan 8.270 nan 0.000 0.484 1150 S N -0.258 115.509 115.700 0.111 0.000 2.671 1150 S HA 0.769 5.239 4.470 -0.000 0.000 0.299 1150 S C -0.217 174.431 174.600 0.080 0.000 1.116 1150 S CA -0.788 57.471 58.200 0.097 0.000 0.912 1150 S CB 1.742 65.035 63.200 0.155 0.000 1.130 1150 S HN 0.442 nan 8.310 nan 0.000 0.501 1151 I N 0.910 121.493 120.570 0.022 0.000 2.607 1151 I HA 0.320 4.490 4.170 -0.000 0.000 0.290 1151 I C -1.356 174.651 176.117 -0.183 0.000 1.129 1151 I CA -0.730 60.556 61.300 -0.023 0.000 1.042 1151 I CB 1.954 39.977 38.000 0.039 0.000 1.242 1151 I HN 0.507 nan 8.210 nan 0.000 0.421 1152 L N 5.192 126.295 121.223 -0.199 0.000 2.264 1152 L HA 0.450 4.790 4.340 -0.000 0.000 0.289 1152 L C -0.499 176.279 176.870 -0.155 0.000 1.044 1152 L CA -0.562 54.090 54.840 -0.313 0.000 0.807 1152 L CB 1.209 43.120 42.059 -0.247 0.000 1.192 1152 L HN 0.587 nan 8.230 nan 0.000 0.425 1153 C N 2.188 121.399 119.300 -0.148 0.000 2.452 1153 C HA 0.360 4.820 4.460 -0.000 0.000 0.379 1153 C C 0.745 175.779 174.990 0.073 0.000 1.275 1153 C CA -0.743 58.275 59.018 0.000 0.000 2.056 1153 C CB 0.303 28.063 27.740 0.033 0.000 2.506 1153 C HN 0.814 nan 8.230 nan 0.000 0.560 1154 C N 4.928 124.289 119.300 0.102 0.000 2.370 1154 C HA 0.585 5.045 4.460 -0.000 0.000 0.354 1154 C C 0.170 175.216 174.990 0.094 0.000 1.218 1154 C CA -0.529 58.569 59.018 0.134 0.000 2.154 1154 C CB 0.388 28.220 27.740 0.153 0.000 2.391 1154 C HN 0.752 nan 8.230 nan 0.000 0.540 1155 M N 2.869 122.533 119.600 0.106 0.000 2.167 1155 M HA 0.332 4.812 4.480 -0.000 0.000 0.333 1155 M C 1.174 177.503 176.300 0.049 0.000 1.030 1155 M CA -0.166 55.150 55.300 0.026 0.000 0.963 1155 M CB 1.048 33.602 32.600 -0.077 0.000 1.589 1155 M HN 0.737 nan 8.290 nan 0.000 0.431 1156 R N 1.297 121.827 120.500 0.051 0.000 2.140 1156 R HA -0.213 4.127 4.340 -0.000 0.000 0.250 1156 R C 1.720 178.253 176.300 0.388 0.000 1.150 1156 R CA 2.133 58.333 56.100 0.167 0.000 0.966 1156 R CB -0.424 29.913 30.300 0.062 0.000 0.869 1156 R HN 0.734 nan 8.270 nan 0.000 0.445 1157 H N -0.808 118.337 119.070 0.125 0.000 2.548 1157 H HA 0.080 4.636 4.556 -0.000 0.000 0.268 1157 H C 0.154 175.389 175.328 -0.155 0.000 0.975 1157 H CA 0.424 56.495 56.048 0.039 0.000 1.195 1157 H CB 0.401 30.128 29.762 -0.058 0.000 1.397 1157 H HN 0.073 nan 8.280 nan 0.000 0.572 1158 Q N 1.662 121.079 119.800 -0.637 0.000 2.943 1158 Q HA 0.206 4.546 4.340 -0.000 0.000 0.327 1158 Q C -1.984 173.709 176.000 -0.512 0.000 0.937 1158 Q CA -1.744 53.542 55.803 -0.862 0.000 0.914 1158 Q CB 1.729 29.418 28.738 -1.749 0.000 1.339 1158 Q HN 0.403 nan 8.270 nan 0.000 0.417 1159 P HA -0.122 nan 4.420 nan 0.000 0.228 1159 P C 0.934 178.074 177.300 -0.267 0.000 1.151 1159 P CA 0.947 63.769 63.100 -0.464 0.000 0.770 1159 P CB 0.273 31.603 31.700 -0.616 0.000 0.786 1160 S N -2.960 112.551 115.700 -0.315 0.000 2.515 1160 S HA -0.046 4.423 4.470 -0.000 0.000 0.231 1160 S C 1.369 175.992 174.600 0.039 0.000 0.987 1160 S CA 0.087 58.187 58.200 -0.168 0.000 0.936 1160 S CB -0.889 62.188 63.200 -0.204 0.000 0.766 1160 S HN 0.147 nan 8.310 nan 0.000 0.528 1161 W N 1.873 123.039 121.300 -0.224 0.000 2.907 1161 W HA 0.454 5.114 4.660 -0.000 0.000 0.271 1161 W C 2.258 178.671 176.519 -0.176 0.000 1.253 1161 W CA -0.996 56.138 57.345 -0.351 0.000 1.501 1161 W CB -1.291 27.707 29.460 -0.770 0.000 1.047 1161 W HN 0.255 nan 8.180 nan 0.000 0.610 1162 S N 1.611 117.400 115.700 0.148 0.000 2.369 1162 S HA -0.230 4.240 4.470 -0.000 0.000 0.225 1162 S C 1.979 176.637 174.600 0.098 0.000 1.043 1162 S CA 1.690 59.982 58.200 0.153 0.000 1.074 1162 S CB -0.908 62.430 63.200 0.230 0.000 0.962 1162 S HN 0.155 nan 8.310 nan 0.000 0.433 1163 L N 1.113 122.380 121.223 0.075 0.000 2.129 1163 L HA -0.187 4.153 4.340 -0.000 0.000 0.212 1163 L C 2.695 179.600 176.870 0.057 0.000 1.087 1163 L CA 1.464 56.333 54.840 0.048 0.000 0.757 1163 L CB -0.459 41.622 42.059 0.037 0.000 0.896 1163 L HN 0.438 nan 8.230 nan 0.000 0.434 1164 E N -0.105 120.155 120.200 0.100 0.000 2.107 1164 E HA -0.157 4.192 4.350 -0.000 0.000 0.191 1164 E C 2.236 178.908 176.600 0.120 0.000 0.982 1164 E CA 0.930 57.401 56.400 0.120 0.000 0.809 1164 E CB 0.206 30.025 29.700 0.199 0.000 0.756 1164 E HN 0.258 nan 8.360 nan 0.000 0.459 1165 V N 1.477 121.486 119.914 0.159 0.000 2.332 1165 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 1165 V C 2.428 178.536 176.094 0.022 0.000 1.055 1165 V CA 1.488 63.855 62.300 0.113 0.000 1.038 1165 V CB -0.513 31.378 31.823 0.114 0.000 0.651 1165 V HN 0.345 nan 8.190 nan 0.000 0.450 1166 L N 0.232 121.454 121.223 -0.003 0.000 2.017 1166 L HA -0.140 4.199 4.340 -0.000 0.000 0.208 1166 L C 2.490 179.345 176.870 -0.026 0.000 1.073 1166 L CA 1.955 56.766 54.840 -0.048 0.000 0.745 1166 L CB -0.836 41.186 42.059 -0.061 0.000 0.894 1166 L HN 0.261 nan 8.230 nan 0.000 0.432 1167 E N -0.525 119.673 120.200 -0.003 0.000 2.153 1167 E HA -0.181 4.168 4.350 -0.000 0.000 0.194 1167 E C 2.210 178.813 176.600 0.005 0.000 0.988 1167 E CA 0.863 57.259 56.400 -0.006 0.000 0.811 1167 E CB -0.373 29.329 29.700 0.002 0.000 0.746 1167 E HN 0.323 nan 8.360 nan 0.000 0.466 1168 L N 0.219 121.465 121.223 0.038 0.000 2.056 1168 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 1168 L C 2.394 179.344 176.870 0.132 0.000 1.078 1168 L CA 1.091 55.997 54.840 0.109 0.000 0.749 1168 L CB -1.092 41.016 42.059 0.080 0.000 0.901 1168 L HN 0.167 nan 8.230 nan 0.000 0.433 1169 C N -0.817 118.511 119.300 0.047 0.000 2.435 1169 C HA -0.126 4.334 4.460 -0.000 0.000 0.279 1169 C C 2.672 177.673 174.990 0.018 0.000 1.321 1169 C CA 0.331 59.366 59.018 0.029 0.000 1.752 1169 C CB -0.608 27.110 27.740 -0.037 0.000 1.959 1169 C HN 0.467 nan 8.230 nan 0.000 0.500 1170 K N 1.096 121.488 120.400 -0.013 0.000 2.007 1170 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 1170 K C 2.187 178.752 176.600 -0.058 0.000 1.047 1170 K CA 1.132 57.396 56.287 -0.038 0.000 0.937 1170 K CB -0.260 32.210 32.500 -0.049 0.000 0.718 1170 K HN 0.396 nan 8.250 nan 0.000 0.438 1171 K N 0.299 120.640 120.400 -0.100 0.000 2.103 1171 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 1171 K C 0.709 177.092 176.600 -0.362 0.000 1.048 1171 K CA 1.465 57.594 56.287 -0.263 0.000 0.930 1171 K CB 0.044 32.314 32.500 -0.383 0.000 0.716 1171 K HN 0.132 nan 8.250 nan 0.000 0.444 1172 Y N 0.972 121.270 120.300 -0.004 0.000 2.746 1172 Y HA 0.198 4.748 4.550 -0.000 0.000 0.312 1172 Y C -0.105 175.805 175.900 0.017 0.000 1.117 1172 Y CA -0.889 57.217 58.100 0.011 0.000 1.324 1172 Y CB -0.143 38.327 38.460 0.017 0.000 1.173 1172 Y HN -0.004 nan 8.280 nan 0.000 0.529 1173 N N 2.053 120.806 118.700 0.088 0.000 2.414 1173 N HA -0.085 4.655 4.740 -0.000 0.000 0.268 1173 N C 0.591 176.155 175.510 0.089 0.000 1.286 1173 N CA 0.990 54.081 53.050 0.069 0.000 0.896 1173 N CB 0.381 38.880 38.487 0.019 0.000 1.093 1173 N HN 0.367 nan 8.380 nan 0.000 0.480 1174 Q N 0.569 120.436 119.800 0.111 0.000 2.253 1174 Q HA -0.265 4.075 4.340 -0.000 0.000 0.186 1174 Q C -0.571 175.503 176.000 0.124 0.000 0.624 1174 Q CA 1.302 57.175 55.803 0.118 0.000 1.417 1174 Q CB -1.234 27.561 28.738 0.095 0.000 1.543 1174 Q HN 0.707 nan 8.270 nan 0.000 0.809 1175 K N 1.677 122.164 120.400 0.145 0.000 2.751 1175 K HA 0.145 4.464 4.320 -0.000 0.000 0.252 1175 K C 1.012 177.703 176.600 0.153 0.000 1.277 1175 K CA 0.795 57.179 56.287 0.161 0.000 1.226 1175 K CB -0.192 32.452 32.500 0.241 0.000 1.658 1175 K HN 0.465 nan 8.250 nan 0.000 0.303 1176 T N -3.783 110.852 114.554 0.135 0.000 12.127 1176 T HA -0.222 4.128 4.350 -0.000 0.000 0.407 1176 T C 0.515 175.296 174.700 0.135 0.000 1.530 1176 T CA 1.010 63.188 62.100 0.130 0.000 2.499 1176 T CB -1.532 67.399 68.868 0.105 0.000 2.756 1176 T HN 0.116 nan 8.240 nan 0.000 0.804 1177 V N 4.207 124.198 119.914 0.128 0.000 2.409 1177 V HA 0.426 4.546 4.120 -0.000 0.000 0.270 1177 V C 1.986 178.154 176.094 0.122 0.000 1.019 1177 V CA 0.434 62.801 62.300 0.112 0.000 1.066 1177 V CB 0.793 32.681 31.823 0.107 0.000 1.021 1177 V HN 0.994 nan 8.190 nan 0.000 0.476 1178 V N 1.839 121.836 119.914 0.139 0.000 3.605 1178 V HA 0.831 4.951 4.120 -0.000 0.000 0.284 1178 V C 0.536 176.691 176.094 0.103 0.000 1.386 1178 V CA 0.643 63.051 62.300 0.180 0.000 1.053 1178 V CB -0.036 31.956 31.823 0.282 0.000 0.857 1178 V HN 0.941 nan 8.190 nan 0.000 0.436 1179 A N 0.324 123.152 122.820 0.014 0.000 2.540 1179 A HA 0.783 5.103 4.320 -0.000 0.000 0.291 1179 A C -1.253 176.276 177.584 -0.091 0.000 1.083 1179 A CA -0.368 51.581 52.037 -0.147 0.000 0.650 1179 A CB 1.570 20.322 19.000 -0.414 0.000 1.292 1179 A HN 0.383 nan 8.150 nan 0.000 0.435 1180 M N 1.188 120.712 119.600 -0.127 0.000 2.383 1180 M HA 0.615 5.094 4.480 -0.000 0.000 0.325 1180 M C -1.534 174.784 176.300 0.029 0.000 1.092 1180 M CA -0.327 54.912 55.300 -0.101 0.000 0.961 1180 M CB 1.647 34.101 32.600 -0.244 0.000 1.672 1180 M HN 0.892 nan 8.290 nan 0.000 0.438 1181 D N 3.138 123.598 120.400 0.099 0.000 2.423 1181 D HA 0.576 5.216 4.640 -0.000 0.000 0.235 1181 D C -1.968 174.503 176.300 0.286 0.000 1.011 1181 D CA -0.505 53.641 54.000 0.243 0.000 0.963 1181 D CB 1.902 42.832 40.800 0.217 0.000 1.349 1181 D HN 0.531 nan 8.370 nan 0.000 0.508 1182 L N 2.180 123.596 121.223 0.323 0.000 2.345 1182 L HA 0.816 5.156 4.340 -0.000 0.000 0.274 1182 L C -1.076 175.866 176.870 0.121 0.000 0.999 1182 L CA -0.314 54.621 54.840 0.158 0.000 0.849 1182 L CB 0.355 42.423 42.059 0.015 0.000 1.220 1182 L HN 0.532 nan 8.230 nan 0.000 0.422 1183 A N 2.879 125.682 122.820 -0.028 0.000 2.347 1183 A HA 1.051 5.371 4.320 -0.000 0.000 0.301 1183 A C 0.329 177.830 177.584 -0.138 0.000 1.163 1183 A CA -0.061 51.788 52.037 -0.314 0.000 0.860 1183 A CB 0.960 19.902 19.000 -0.098 0.000 1.367 1183 A HN 1.660 nan 8.150 nan 0.000 0.461 1184 G N -0.654 108.071 108.800 -0.125 0.000 2.396 1184 G HA2 0.140 4.100 3.960 -0.000 0.000 0.254 1184 G HA3 0.140 4.100 3.960 -0.000 0.000 0.254 1184 G C -0.998 173.914 174.900 0.020 0.000 1.248 1184 G CA -0.037 45.068 45.100 0.008 0.000 1.033 1184 G HN 0.994 nan 8.290 nan 0.000 0.502 1185 D N 0.616 121.041 120.400 0.042 0.000 2.348 1185 D HA 0.245 4.885 4.640 -0.000 0.000 0.259 1185 D C 1.385 177.698 176.300 0.022 0.000 1.296 1185 D CA 0.222 54.241 54.000 0.031 0.000 0.931 1185 D CB 0.914 41.716 40.800 0.004 0.000 1.067 1185 D HN 0.538 nan 8.370 nan 0.000 0.503 1186 E N 1.539 121.750 120.200 0.019 0.000 2.338 1186 E HA -0.149 4.201 4.350 -0.000 0.000 0.197 1186 E C 1.399 177.986 176.600 -0.021 0.000 1.007 1186 E CA 0.922 57.320 56.400 -0.003 0.000 0.849 1186 E CB 0.335 30.043 29.700 0.013 0.000 0.774 1186 E HN 0.566 nan 8.360 nan 0.000 0.506 1187 T N -1.310 113.238 114.554 -0.010 0.000 3.072 1187 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 1187 T C 1.043 175.737 174.700 -0.010 0.000 1.127 1187 T CA -0.014 62.077 62.100 -0.016 0.000 1.107 1187 T CB -0.341 68.521 68.868 -0.010 0.000 0.910 1187 T HN 0.059 nan 8.240 nan 0.000 0.513 1188 I N 2.944 123.514 120.570 0.000 0.000 2.577 1188 I HA 0.059 4.229 4.170 -0.000 0.000 0.299 1188 I C 0.775 176.879 176.117 -0.021 0.000 1.157 1188 I CA -0.113 61.204 61.300 0.028 0.000 1.418 1188 I CB -0.328 37.723 38.000 0.084 0.000 1.467 1188 I HN 0.412 nan 8.210 nan 0.000 0.624 1189 E N 5.605 125.803 120.200 -0.004 0.000 2.708 1189 E HA -0.079 4.271 4.350 -0.000 0.000 0.260 1189 E C 1.331 177.893 176.600 -0.064 0.000 0.937 1189 E CA 0.897 57.281 56.400 -0.026 0.000 0.953 1189 E CB 0.314 30.017 29.700 0.004 0.000 0.915 1189 E HN 0.869 nan 8.360 nan 0.000 0.487 1190 G N 3.118 111.843 108.800 -0.126 0.000 2.166 1190 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.260 1190 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.260 1190 G C 0.878 175.430 174.900 -0.579 0.000 0.986 1190 G CA 0.965 45.948 45.100 -0.195 0.000 0.683 1190 G HN 0.777 nan 8.290 nan 0.000 0.527 1191 S N -0.378 114.880 115.700 -0.737 0.000 2.399 1191 S HA -0.067 4.403 4.470 -0.000 0.000 0.231 1191 S C 2.284 176.495 174.600 -0.648 0.000 1.022 1191 S CA 1.886 59.344 58.200 -1.236 0.000 0.983 1191 S CB -0.332 62.552 63.200 -0.528 0.000 0.803 1191 S HN 0.654 nan 8.310 nan 0.000 0.480 1192 S N 1.663 117.156 115.700 -0.344 0.000 2.399 1192 S HA 0.115 4.585 4.470 -0.000 0.000 0.231 1192 S C 1.301 175.847 174.600 -0.090 0.000 1.022 1192 S CA 0.884 58.975 58.200 -0.182 0.000 0.983 1192 S CB -0.334 62.776 63.200 -0.150 0.000 0.803 1192 S HN 0.322 nan 8.310 nan 0.000 0.480 1193 L N 0.639 121.782 121.223 -0.133 0.000 2.592 1193 L HA 0.348 4.688 4.340 -0.000 0.000 0.227 1193 L C -0.326 176.612 176.870 0.113 0.000 1.127 1193 L CA 0.001 54.834 54.840 -0.011 0.000 0.884 1193 L CB -0.876 41.176 42.059 -0.011 0.000 1.065 1193 L HN 0.127 nan 8.230 nan 0.000 0.457 1194 F N 1.209 121.189 119.950 0.050 0.000 2.608 1194 F HA 0.079 4.606 4.527 -0.000 0.000 0.380 1194 F C -0.688 175.068 175.800 -0.073 0.000 1.083 1194 F CA -2.321 55.646 58.000 -0.055 0.000 1.266 1194 F CB -0.401 38.491 39.000 -0.180 0.000 1.076 1194 F HN -0.026 nan 8.300 nan 0.000 0.574 1195 P HA -0.205 nan 4.420 nan 0.000 0.217 1195 P C 1.733 179.050 177.300 0.027 0.000 1.158 1195 P CA 2.429 65.559 63.100 0.049 0.000 0.887 1195 P CB 0.060 31.763 31.700 0.006 0.000 0.792 1196 G N -1.387 107.383 108.800 -0.051 0.000 2.440 1196 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 1196 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 1196 G C 1.183 176.114 174.900 0.052 0.000 1.154 1196 G CA 1.232 46.297 45.100 -0.057 0.000 0.767 1196 G HN 0.390 nan 8.290 nan 0.000 0.552 1197 H N -0.607 118.551 119.070 0.146 0.000 2.326 1197 H HA -0.003 4.552 4.556 -0.000 0.000 0.301 1197 H C 2.795 178.269 175.328 0.245 0.000 1.081 1197 H CA 0.725 56.897 56.048 0.207 0.000 1.334 1197 H CB -0.020 29.844 29.762 0.170 0.000 1.385 1197 H HN 0.187 nan 8.280 nan 0.000 0.504 1198 V N 1.225 121.303 119.914 0.273 0.000 2.324 1198 V HA -0.275 3.844 4.120 -0.000 0.000 0.250 1198 V C 2.118 178.315 176.094 0.171 0.000 1.060 1198 V CA 1.954 64.367 62.300 0.189 0.000 1.042 1198 V CB -0.380 31.512 31.823 0.116 0.000 0.650 1198 V HN 0.482 nan 8.190 nan 0.000 0.450 1199 E N -0.222 120.056 120.200 0.131 0.000 2.046 1199 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 1199 E C 2.389 179.037 176.600 0.080 0.000 0.982 1199 E CA 1.166 57.618 56.400 0.086 0.000 0.800 1199 E CB -0.309 29.423 29.700 0.053 0.000 0.756 1199 E HN 0.586 nan 8.360 nan 0.000 0.449 1200 A N 0.629 123.505 122.820 0.093 0.000 1.917 1200 A HA -0.223 4.097 4.320 -0.000 0.000 0.219 1200 A C 1.909 179.439 177.584 -0.089 0.000 1.182 1200 A CA 1.486 53.525 52.037 0.004 0.000 0.633 1200 A CB -0.877 18.129 19.000 0.009 0.000 0.819 1200 A HN 0.287 nan 8.150 nan 0.000 0.448 1201 Y N -0.059 120.269 120.300 0.046 0.000 2.200 1201 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 1201 Y C 2.526 178.434 175.900 0.013 0.000 1.137 1201 Y CA 1.740 59.856 58.100 0.027 0.000 1.163 1201 Y CB -0.290 38.190 38.460 0.034 0.000 0.988 1201 Y HN 0.425 nan 8.280 nan 0.000 0.518 1202 E N -0.689 119.595 120.200 0.140 0.000 2.085 1202 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 1202 E C 2.476 179.093 176.600 0.028 0.000 0.994 1202 E CA 1.024 57.470 56.400 0.077 0.000 0.801 1202 E CB -0.494 29.244 29.700 0.064 0.000 0.743 1202 E HN 0.563 nan 8.360 nan 0.000 0.453 1203 G N 0.881 109.686 108.800 0.007 0.000 2.422 1203 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 1203 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 1203 G C 1.631 176.500 174.900 -0.052 0.000 1.140 1203 G CA 0.721 45.808 45.100 -0.022 0.000 0.775 1203 G HN 0.330 nan 8.290 nan 0.000 0.545 1204 A N 0.245 123.016 122.820 -0.081 0.000 1.873 1204 A HA 0.126 4.446 4.320 -0.000 0.000 0.215 1204 A C 2.580 180.115 177.584 -0.082 0.000 1.186 1204 A CA 1.591 53.556 52.037 -0.120 0.000 0.616 1204 A CB -0.643 18.235 19.000 -0.202 0.000 0.823 1204 A HN 0.208 nan 8.150 nan 0.000 0.442 1205 V N 0.336 120.232 119.914 -0.031 0.000 2.287 1205 V HA -0.326 3.793 4.120 -0.000 0.000 0.248 1205 V C 2.509 178.586 176.094 -0.030 0.000 1.053 1205 V CA 2.513 64.804 62.300 -0.015 0.000 1.027 1205 V CB -0.700 31.137 31.823 0.022 0.000 0.646 1205 V HN 0.558 nan 8.190 nan 0.000 0.447 1206 K N 0.124 120.510 120.400 -0.024 0.000 2.032 1206 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 1206 K C 1.619 178.195 176.600 -0.040 0.000 1.048 1206 K CA 1.660 57.932 56.287 -0.025 0.000 0.927 1206 K CB -0.255 32.234 32.500 -0.018 0.000 0.712 1206 K HN 0.483 nan 8.250 nan 0.000 0.441 1207 N N -0.091 118.576 118.700 -0.055 0.000 2.314 1207 N HA 0.010 4.750 4.740 -0.000 0.000 0.200 1207 N C 0.252 175.706 175.510 -0.094 0.000 1.135 1207 N CA 0.661 53.672 53.050 -0.066 0.000 0.835 1207 N CB 1.096 39.544 38.487 -0.063 0.000 0.989 1207 N HN 0.342 nan 8.380 nan 0.000 0.478 1208 G N 1.581 110.313 108.800 -0.112 0.000 2.246 1208 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.273 1208 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.273 1208 G C -0.127 174.603 174.900 -0.282 0.000 1.055 1208 G CA -0.233 44.762 45.100 -0.176 0.000 0.851 1208 G HN 0.227 nan 8.290 nan 0.000 0.500 1209 I N 1.240 121.666 120.570 -0.240 0.000 2.304 1209 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 1209 I C 1.079 177.009 176.117 -0.313 0.000 1.018 1209 I CA -1.256 59.886 61.300 -0.263 0.000 1.260 1209 I CB 0.140 38.033 38.000 -0.178 0.000 1.390 1209 I HN 0.179 nan 8.210 nan 0.000 0.475 1210 H N 6.125 125.018 119.070 -0.296 0.000 3.038 1210 H HA 0.107 4.663 4.556 -0.000 0.000 0.338 1210 H C -0.010 174.991 175.328 -0.545 0.000 1.041 1210 H CA 0.670 56.381 56.048 -0.562 0.000 1.394 1210 H CB 0.567 29.639 29.762 -1.150 0.000 1.357 1210 H HN 0.411 nan 8.280 nan 0.000 0.600 1211 R N 1.418 121.779 120.500 -0.232 0.000 2.670 1211 R HA 0.528 4.867 4.340 -0.000 0.000 0.289 1211 R C -0.723 175.689 176.300 0.187 0.000 0.965 1211 R CA -0.746 55.373 56.100 0.032 0.000 0.899 1211 R CB 2.271 32.722 30.300 0.252 0.000 1.173 1211 R HN 0.532 nan 8.270 nan 0.000 0.456 1212 T N 1.016 115.742 114.554 0.287 0.000 2.923 1212 T HA 0.602 4.951 4.350 -0.000 0.000 0.311 1212 T C -1.640 173.230 174.700 0.282 0.000 1.183 1212 T CA -0.544 61.746 62.100 0.318 0.000 1.020 1212 T CB 1.441 70.550 68.868 0.402 0.000 1.165 1212 T HN 0.219 nan 8.240 nan 0.000 0.482 1213 V N 4.191 124.222 119.914 0.196 0.000 2.733 1213 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 1213 V C -0.964 175.251 176.094 0.201 0.000 1.084 1213 V CA -1.016 61.385 62.300 0.168 0.000 0.905 1213 V CB 1.843 33.650 31.823 -0.027 0.000 1.010 1213 V HN 0.987 nan 8.190 nan 0.000 0.424 1214 H N 2.688 121.851 119.070 0.156 0.000 2.803 1214 H HA 0.713 5.269 4.556 -0.000 0.000 0.330 1214 H C 0.321 175.720 175.328 0.118 0.000 1.057 1214 H CA 1.046 57.220 56.048 0.211 0.000 1.458 1214 H CB 1.035 30.972 29.762 0.291 0.000 1.470 1214 H HN 1.040 nan 8.280 nan 0.000 0.560 1215 A N 1.410 124.358 122.820 0.213 0.000 2.582 1215 A HA 0.528 4.847 4.320 -0.000 0.000 0.297 1215 A C 0.757 178.406 177.584 0.108 0.000 1.059 1215 A CA -0.298 51.811 52.037 0.121 0.000 0.705 1215 A CB 0.635 19.677 19.000 0.070 0.000 1.279 1215 A HN 1.098 nan 8.150 nan 0.000 0.404 1216 G N 0.812 109.663 108.800 0.085 0.000 2.153 1216 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.252 1216 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.252 1216 G C 0.716 175.721 174.900 0.175 0.000 0.994 1216 G CA 1.395 46.571 45.100 0.125 0.000 0.698 1216 G HN 1.223 nan 8.290 nan 0.000 0.521 1217 E N -0.932 119.316 120.200 0.079 0.000 2.004 1217 E HA 0.135 4.485 4.350 -0.000 0.000 0.192 1217 E C 2.194 178.858 176.600 0.107 0.000 0.987 1217 E CA 1.560 57.977 56.400 0.029 0.000 0.822 1217 E CB -0.088 29.521 29.700 -0.153 0.000 0.779 1217 E HN 0.581 nan 8.360 nan 0.000 0.458 1218 V N 0.088 119.973 119.914 -0.048 0.000 3.645 1218 V HA 0.329 4.449 4.120 -0.000 0.000 0.275 1218 V C 0.705 176.618 176.094 -0.302 0.000 1.356 1218 V CA 0.553 62.765 62.300 -0.147 0.000 1.051 1218 V CB 0.775 32.562 31.823 -0.059 0.000 0.828 1218 V HN 0.355 nan 8.190 nan 0.000 0.441 1219 G N 0.583 109.250 108.800 -0.223 0.000 2.528 1219 G HA2 0.432 4.392 3.960 -0.000 0.000 0.289 1219 G HA3 0.432 4.392 3.960 -0.000 0.000 0.289 1219 G C 0.163 174.920 174.900 -0.238 0.000 1.192 1219 G CA 0.441 45.428 45.100 -0.188 0.000 0.921 1219 G HN 0.550 nan 8.290 nan 0.000 0.512 1220 S N 0.221 115.845 115.700 -0.126 0.000 2.634 1220 S HA 0.293 4.763 4.470 -0.000 0.000 0.261 1220 S C -1.541 173.074 174.600 0.024 0.000 1.271 1220 S CA -0.795 57.376 58.200 -0.049 0.000 0.985 1220 S CB 1.622 64.808 63.200 -0.023 0.000 0.968 1220 S HN 0.206 nan 8.310 nan 0.000 0.568 1221 P HA -0.074 nan 4.420 nan 0.000 0.218 1221 P C 1.239 178.575 177.300 0.059 0.000 1.146 1221 P CA 0.993 64.146 63.100 0.090 0.000 0.813 1221 P CB 0.025 31.782 31.700 0.095 0.000 0.778 1222 E N -0.684 119.536 120.200 0.033 0.000 2.204 1222 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 1222 E C 1.981 178.584 176.600 0.005 0.000 0.989 1222 E CA 0.871 57.282 56.400 0.018 0.000 0.824 1222 E CB -0.692 29.011 29.700 0.006 0.000 0.756 1222 E HN 0.153 nan 8.360 nan 0.000 0.477 1223 V N 0.769 120.683 119.914 0.001 0.000 2.358 1223 V HA -0.194 3.925 4.120 -0.000 0.000 0.246 1223 V C 2.542 178.637 176.094 0.002 0.000 1.047 1223 V CA 1.154 63.446 62.300 -0.013 0.000 1.035 1223 V CB -0.551 31.261 31.823 -0.018 0.000 0.658 1223 V HN 0.061 nan 8.190 nan 0.000 0.452 1224 V N 0.396 120.332 119.914 0.036 0.000 2.343 1224 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 1224 V C 2.590 178.702 176.094 0.031 0.000 1.051 1224 V CA 2.406 64.738 62.300 0.054 0.000 1.036 1224 V CB -0.842 31.048 31.823 0.111 0.000 0.654 1224 V HN 0.542 nan 8.190 nan 0.000 0.451 1225 R N 0.374 120.893 120.500 0.031 0.000 2.081 1225 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 1225 R C 2.217 178.514 176.300 -0.004 0.000 1.131 1225 R CA 2.039 58.151 56.100 0.020 0.000 0.960 1225 R CB -0.226 30.089 30.300 0.025 0.000 0.856 1225 R HN 0.623 nan 8.270 nan 0.000 0.436 1226 E N 0.058 120.246 120.200 -0.019 0.000 2.110 1226 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 1226 E C 1.989 178.549 176.600 -0.067 0.000 0.988 1226 E CA 1.198 57.573 56.400 -0.041 0.000 0.804 1226 E CB -0.111 29.555 29.700 -0.056 0.000 0.745 1226 E HN 0.503 nan 8.360 nan 0.000 0.458 1227 A N 0.834 123.612 122.820 -0.069 0.000 1.877 1227 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 1227 A C 2.483 180.023 177.584 -0.073 0.000 1.186 1227 A CA 1.288 53.263 52.037 -0.103 0.000 0.620 1227 A CB -0.578 18.382 19.000 -0.066 0.000 0.822 1227 A HN 0.114 nan 8.150 nan 0.000 0.443 1228 V N 0.277 120.171 119.914 -0.034 0.000 2.283 1228 V HA -0.160 3.960 4.120 -0.000 0.000 0.243 1228 V C 2.077 178.165 176.094 -0.010 0.000 1.039 1228 V CA 2.134 64.423 62.300 -0.018 0.000 1.016 1228 V CB -0.721 31.097 31.823 -0.009 0.000 0.650 1228 V HN 0.470 nan 8.190 nan 0.000 0.449 1229 D N -0.417 119.978 120.400 -0.008 0.000 2.194 1229 D HA -0.007 4.633 4.640 -0.000 0.000 0.204 1229 D C 2.001 178.300 176.300 -0.002 0.000 0.964 1229 D CA 0.989 54.988 54.000 -0.001 0.000 0.846 1229 D CB 0.234 41.037 40.800 0.004 0.000 0.962 1229 D HN 0.293 nan 8.370 nan 0.000 0.490 1230 I N 0.092 120.653 120.570 -0.016 0.000 2.726 1230 I HA -0.069 4.101 4.170 -0.000 0.000 0.243 1230 I C 2.053 178.160 176.117 -0.017 0.000 1.082 1230 I CA 0.312 61.604 61.300 -0.013 0.000 1.447 1230 I CB -0.942 37.046 38.000 -0.021 0.000 1.250 1230 I HN -0.053 nan 8.210 nan 0.000 0.453 1231 L N 1.277 122.451 121.223 -0.082 0.000 2.275 1231 L HA -0.060 4.280 4.340 -0.000 0.000 0.215 1231 L C 0.729 177.585 176.870 -0.023 0.000 1.119 1231 L CA 0.834 55.579 54.840 -0.158 0.000 0.790 1231 L CB -0.906 40.850 42.059 -0.504 0.000 0.919 1231 L HN 0.276 nan 8.230 nan 0.000 0.443 1232 K N -0.284 120.113 120.400 -0.006 0.000 3.125 1232 K HA -0.147 4.173 4.320 -0.000 0.000 0.268 1232 K C 0.240 176.882 176.600 0.070 0.000 1.078 1232 K CA 0.813 57.124 56.287 0.040 0.000 0.775 1232 K CB -2.913 29.626 32.500 0.066 0.000 1.253 1232 K HN 0.434 nan 8.250 nan 0.000 0.486 1233 T N -0.180 114.396 114.554 0.037 0.000 2.855 1233 T HA 0.073 4.423 4.350 -0.000 0.000 0.322 1233 T C 1.620 176.382 174.700 0.103 0.000 1.088 1233 T CA -0.101 62.052 62.100 0.088 0.000 1.104 1233 T CB 0.872 69.770 68.868 0.050 0.000 0.996 1233 T HN 0.231 nan 8.240 nan 0.000 0.549 1234 E N 0.129 120.432 120.200 0.172 0.000 2.389 1234 E HA 0.118 4.468 4.350 -0.000 0.000 0.199 1234 E C 0.555 177.255 176.600 0.168 0.000 0.978 1234 E CA 0.245 56.763 56.400 0.196 0.000 0.912 1234 E CB 0.501 30.402 29.700 0.334 0.000 0.907 1234 E HN 0.398 nan 8.360 nan 0.000 0.494 1235 R N 0.455 121.068 120.500 0.189 0.000 2.740 1235 R HA 0.483 4.822 4.340 -0.000 0.000 0.273 1235 R C -1.289 175.047 176.300 0.060 0.000 0.998 1235 R CA -0.688 55.484 56.100 0.119 0.000 0.900 1235 R CB 2.630 33.047 30.300 0.194 0.000 1.223 1235 R HN -0.169 nan 8.270 nan 0.000 0.466 1236 V N 1.207 121.096 119.914 -0.041 0.000 2.357 1236 V HA 0.353 4.473 4.120 -0.000 0.000 0.284 1236 V C 0.466 176.536 176.094 -0.040 0.000 1.018 1236 V CA -0.775 61.504 62.300 -0.036 0.000 0.841 1236 V CB 1.558 33.330 31.823 -0.085 0.000 0.991 1236 V HN 0.938 nan 8.190 nan 0.000 0.437 1237 G N 3.609 112.365 108.800 -0.074 0.000 2.367 1237 G HA2 0.442 4.402 3.960 -0.000 0.000 0.280 1237 G HA3 0.442 4.402 3.960 -0.000 0.000 0.280 1237 G C 0.422 175.140 174.900 -0.304 0.000 1.175 1237 G CA 0.482 45.362 45.100 -0.365 0.000 1.001 1237 G HN 0.960 nan 8.290 nan 0.000 0.437 1238 H N 2.075 120.932 119.070 -0.356 0.000 4.171 1238 H HA -0.288 4.268 4.556 -0.000 0.000 0.087 1238 H C 2.129 177.089 175.328 -0.613 0.000 0.623 1238 H CA 1.600 57.253 56.048 -0.659 0.000 1.210 1238 H CB -1.480 27.927 29.762 -0.590 0.000 1.156 1238 H HN 1.933 nan 8.280 nan 0.000 0.853 1239 G N 0.923 109.604 108.800 -0.197 0.000 2.168 1239 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.257 1239 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.257 1239 G C 0.555 175.486 174.900 0.052 0.000 0.997 1239 G CA 1.336 46.489 45.100 0.087 0.000 0.708 1239 G HN 0.545 nan 8.290 nan 0.000 0.520 1240 Y N -0.565 119.840 120.300 0.175 0.000 2.274 1240 Y HA -0.016 4.534 4.550 -0.000 0.000 0.290 1240 Y C 2.477 178.240 175.900 -0.228 0.000 1.145 1240 Y CA 1.622 59.651 58.100 -0.118 0.000 1.203 1240 Y CB -0.667 37.642 38.460 -0.251 0.000 0.984 1240 Y HN 0.540 nan 8.280 nan 0.000 0.533 1241 H N -1.401 117.720 119.070 0.084 0.000 2.551 1241 H HA 0.012 4.568 4.556 -0.000 0.000 0.266 1241 H C 1.887 177.236 175.328 0.036 0.000 0.977 1241 H CA 1.090 57.163 56.048 0.041 0.000 1.163 1241 H CB -0.233 29.555 29.762 0.044 0.000 1.381 1241 H HN 0.201 nan 8.280 nan 0.000 0.581 1242 T N 1.218 115.860 114.554 0.147 0.000 2.803 1242 T HA -0.148 4.202 4.350 -0.000 0.000 0.269 1242 T C 2.080 176.823 174.700 0.072 0.000 1.052 1242 T CA 1.435 63.639 62.100 0.174 0.000 1.136 1242 T CB -0.290 68.778 68.868 0.334 0.000 0.864 1242 T HN 0.600 nan 8.240 nan 0.000 0.467 1243 I N 0.032 120.521 120.570 -0.136 0.000 2.850 1243 I HA -0.029 4.141 4.170 -0.000 0.000 0.266 1243 I C 1.734 177.790 176.117 -0.101 0.000 1.257 1243 I CA 1.392 62.518 61.300 -0.289 0.000 1.465 1243 I CB -0.578 37.136 38.000 -0.477 0.000 1.091 1243 I HN 0.143 nan 8.210 nan 0.000 0.467 1244 E N 0.886 121.069 120.200 -0.028 0.000 2.511 1244 E HA -0.049 4.301 4.350 -0.000 0.000 0.196 1244 E C 0.077 176.703 176.600 0.043 0.000 1.066 1244 E CA 0.274 56.680 56.400 0.010 0.000 0.871 1244 E CB 0.117 29.843 29.700 0.043 0.000 0.863 1244 E HN 0.394 nan 8.360 nan 0.000 0.520 1245 D N 0.327 120.770 120.400 0.072 0.000 2.408 1245 D HA 0.033 4.673 4.640 -0.000 0.000 0.261 1245 D C 0.597 176.978 176.300 0.135 0.000 1.190 1245 D CA -0.147 53.908 54.000 0.093 0.000 0.910 1245 D CB 0.601 41.461 40.800 0.100 0.000 1.097 1245 D HN -0.193 nan 8.370 nan 0.000 0.522 1246 E N 1.998 122.269 120.200 0.118 0.000 2.086 1246 E HA -0.227 4.123 4.350 -0.000 0.000 0.200 1246 E C 1.670 178.363 176.600 0.153 0.000 1.012 1246 E CA 1.386 57.879 56.400 0.154 0.000 0.812 1246 E CB -0.074 29.688 29.700 0.104 0.000 0.743 1246 E HN 0.622 nan 8.360 nan 0.000 0.453 1247 A N 0.983 123.866 122.820 0.104 0.000 1.877 1247 A HA -0.167 4.152 4.320 -0.000 0.000 0.216 1247 A C 2.300 179.937 177.584 0.088 0.000 1.186 1247 A CA 1.551 53.635 52.037 0.078 0.000 0.620 1247 A CB -0.721 18.313 19.000 0.056 0.000 0.822 1247 A HN 0.269 nan 8.150 nan 0.000 0.443 1248 L N -1.670 119.621 121.223 0.113 0.000 2.046 1248 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 1248 L C 2.292 179.269 176.870 0.178 0.000 1.077 1248 L CA 2.371 57.285 54.840 0.123 0.000 0.747 1248 L CB -0.839 41.297 42.059 0.129 0.000 0.896 1248 L HN 0.516 nan 8.230 nan 0.000 0.432 1249 Y N 0.747 121.107 120.300 0.100 0.000 2.089 1249 Y HA -0.252 4.297 4.550 -0.000 0.000 0.282 1249 Y C 2.373 178.341 175.900 0.114 0.000 1.139 1249 Y CA 2.197 60.377 58.100 0.134 0.000 1.123 1249 Y CB -0.851 37.680 38.460 0.118 0.000 0.980 1249 Y HN 0.396 nan 8.280 nan 0.000 0.493 1250 N N -0.215 118.419 118.700 -0.110 0.000 2.094 1250 N HA -0.270 4.470 4.740 -0.000 0.000 0.191 1250 N C 2.083 177.511 175.510 -0.137 0.000 1.023 1250 N CA 1.362 54.300 53.050 -0.187 0.000 0.857 1250 N CB -0.299 38.165 38.487 -0.038 0.000 1.013 1250 N HN 0.324 nan 8.380 nan 0.000 0.426 1251 R N 0.771 121.238 120.500 -0.054 0.000 2.066 1251 R HA -0.088 4.252 4.340 -0.000 0.000 0.232 1251 R C 1.897 178.167 176.300 -0.049 0.000 1.131 1251 R CA 1.048 57.128 56.100 -0.033 0.000 0.955 1251 R CB -0.246 30.055 30.300 0.002 0.000 0.851 1251 R HN 0.106 nan 8.270 nan 0.000 0.432 1252 L N 0.791 121.991 121.223 -0.039 0.000 2.131 1252 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 1252 L C 2.126 178.938 176.870 -0.096 0.000 1.092 1252 L CA 1.213 56.022 54.840 -0.051 0.000 0.759 1252 L CB -0.590 41.490 42.059 0.035 0.000 0.903 1252 L HN 0.248 nan 8.230 nan 0.000 0.435 1253 L N -0.540 120.592 121.223 -0.152 0.000 2.027 1253 L HA -0.205 4.135 4.340 -0.000 0.000 0.206 1253 L C 2.531 179.345 176.870 -0.094 0.000 1.074 1253 L CA 1.690 56.434 54.840 -0.161 0.000 0.745 1253 L CB -0.774 41.089 42.059 -0.326 0.000 0.898 1253 L HN 0.246 nan 8.230 nan 0.000 0.433 1254 K N -0.307 120.042 120.400 -0.086 0.000 2.097 1254 K HA -0.198 4.122 4.320 -0.000 0.000 0.206 1254 K C 1.719 178.296 176.600 -0.037 0.000 1.049 1254 K CA 1.633 57.890 56.287 -0.050 0.000 0.933 1254 K CB 0.006 32.482 32.500 -0.040 0.000 0.717 1254 K HN 0.436 nan 8.250 nan 0.000 0.442 1255 E N 0.281 120.455 120.200 -0.043 0.000 2.418 1255 E HA -0.094 4.256 4.350 -0.000 0.000 0.197 1255 E C -0.020 176.557 176.600 -0.038 0.000 1.026 1255 E CA 0.030 56.409 56.400 -0.035 0.000 0.862 1255 E CB -0.146 29.531 29.700 -0.039 0.000 0.799 1255 E HN 0.355 nan 8.360 nan 0.000 0.518 1256 N N 0.894 119.566 118.700 -0.046 0.000 2.758 1256 N HA -0.188 4.552 4.740 -0.000 0.000 0.248 1256 N C -0.464 175.007 175.510 -0.065 0.000 1.076 1256 N CA -0.244 52.785 53.050 -0.034 0.000 0.696 1256 N CB -0.592 37.891 38.487 -0.007 0.000 0.979 1256 N HN 0.074 nan 8.380 nan 0.000 0.550 1257 M N 1.759 121.268 119.600 -0.151 0.000 2.249 1257 M HA 0.067 4.547 4.480 -0.000 0.000 0.340 1257 M C -0.005 176.066 176.300 -0.382 0.000 1.166 1257 M CA 0.350 55.479 55.300 -0.285 0.000 1.115 1257 M CB 0.207 32.535 32.600 -0.453 0.000 1.606 1257 M HN 0.249 nan 8.290 nan 0.000 0.448 1258 H N 4.075 122.928 119.070 -0.361 0.000 2.552 1258 H HA 0.455 5.010 4.556 -0.000 0.000 0.311 1258 H C -1.652 173.464 175.328 -0.352 0.000 1.071 1258 H CA -0.203 55.689 56.048 -0.260 0.000 1.307 1258 H CB 0.281 29.964 29.762 -0.132 0.000 1.416 1258 H HN 0.590 nan 8.280 nan 0.000 0.464 1259 F N 3.164 122.793 119.950 -0.535 0.000 2.404 1259 F HA 0.211 4.738 4.527 -0.000 0.000 0.354 1259 F C 0.383 175.997 175.800 -0.310 0.000 1.122 1259 F CA -0.694 57.102 58.000 -0.341 0.000 1.080 1259 F CB 1.243 40.007 39.000 -0.393 0.000 1.131 1259 F HN 0.570 nan 8.300 nan 0.000 0.471 1260 E N 3.185 123.392 120.200 0.011 0.000 1.924 1260 E HA 0.261 4.611 4.350 -0.000 0.000 0.261 1260 E C -0.777 175.800 176.600 -0.039 0.000 1.088 1260 E CA -0.411 55.993 56.400 0.007 0.000 0.909 1260 E CB 0.747 30.372 29.700 -0.125 0.000 1.112 1260 E HN 0.283 nan 8.360 nan 0.000 0.425 1261 V N 2.609 122.645 119.914 0.205 0.000 2.530 1261 V HA 0.054 4.174 4.120 -0.000 0.000 0.282 1261 V C 0.098 176.356 176.094 0.273 0.000 1.048 1261 V CA -0.619 61.898 62.300 0.361 0.000 0.997 1261 V CB 0.924 33.019 31.823 0.454 0.000 0.987 1261 V HN 0.779 nan 8.190 nan 0.000 0.477 1262 C N 6.828 126.353 119.300 0.375 0.000 2.647 1262 C HA 0.332 4.791 4.460 -0.000 0.000 0.273 1262 C C -1.052 174.024 174.990 0.144 0.000 1.088 1262 C CA -0.999 58.185 59.018 0.276 0.000 1.529 1262 C CB 0.342 28.309 27.740 0.378 0.000 1.810 1262 C HN 0.682 nan 8.230 nan 0.000 0.422 1263 P HA -0.192 nan 4.420 nan 0.000 0.214 1263 P C 1.780 179.054 177.300 -0.043 0.000 1.169 1263 P CA 1.548 64.484 63.100 -0.272 0.000 0.908 1263 P CB 0.051 31.519 31.700 -0.387 0.000 0.791 1264 W N 0.015 121.222 121.300 -0.154 0.000 2.379 1264 W HA -0.170 4.490 4.660 -0.000 0.000 0.307 1264 W C 2.503 178.873 176.519 -0.249 0.000 1.200 1264 W CA 1.565 58.845 57.345 -0.108 0.000 1.297 1264 W CB -0.569 28.858 29.460 -0.055 0.000 1.140 1264 W HN -0.028 nan 8.180 nan 0.000 0.507 1265 S N 0.631 116.047 115.700 -0.474 0.000 2.370 1265 S HA -0.259 4.211 4.470 -0.000 0.000 0.226 1265 S C 2.152 176.418 174.600 -0.556 0.000 1.033 1265 S CA 2.565 60.148 58.200 -1.029 0.000 1.011 1265 S CB -0.837 62.124 63.200 -0.398 0.000 0.852 1265 S HN 0.418 nan 8.310 nan 0.000 0.457 1266 S N -0.135 115.447 115.700 -0.196 0.000 2.383 1266 S HA -0.196 4.274 4.470 -0.000 0.000 0.229 1266 S C 1.783 176.384 174.600 0.000 0.000 1.030 1266 S CA 1.391 59.526 58.200 -0.108 0.000 1.002 1266 S CB -1.009 62.006 63.200 -0.308 0.000 0.829 1266 S HN 0.724 nan 8.310 nan 0.000 0.467 1267 Y N 2.167 122.410 120.300 -0.095 0.000 2.109 1267 Y HA 0.047 4.597 4.550 -0.000 0.000 0.285 1267 Y C 2.066 177.799 175.900 -0.279 0.000 1.131 1267 Y CA 1.197 59.271 58.100 -0.044 0.000 1.121 1267 Y CB -0.864 37.563 38.460 -0.056 0.000 0.987 1267 Y HN 0.204 nan 8.280 nan 0.000 0.495 1268 L N 0.350 121.174 121.223 -0.666 0.000 2.187 1268 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 1268 L C 2.494 179.180 176.870 -0.306 0.000 1.100 1268 L CA 2.460 56.940 54.840 -0.600 0.000 0.765 1268 L CB -1.832 39.895 42.059 -0.553 0.000 0.904 1268 L HN 0.601 nan 8.230 nan 0.000 0.437 1269 T N -4.851 109.543 114.554 -0.265 0.000 3.081 1269 T HA 0.324 4.674 4.350 -0.000 0.000 0.250 1269 T C 1.440 176.079 174.700 -0.101 0.000 1.100 1269 T CA 0.473 62.505 62.100 -0.114 0.000 1.038 1269 T CB 0.193 68.984 68.868 -0.128 0.000 0.962 1269 T HN 0.401 nan 8.240 nan 0.000 0.516 1270 G N 0.812 109.516 108.800 -0.160 0.000 2.143 1270 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.249 1270 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.249 1270 G C 1.058 175.937 174.900 -0.035 0.000 0.981 1270 G CA 0.085 45.109 45.100 -0.126 0.000 0.665 1270 G HN 1.059 nan 8.290 nan 0.000 0.528 1271 A N -1.277 121.547 122.820 0.006 0.000 2.067 1271 A HA 0.355 4.675 4.320 -0.000 0.000 0.219 1271 A C 0.944 178.644 177.584 0.194 0.000 1.158 1271 A CA 1.743 53.865 52.037 0.142 0.000 0.661 1271 A CB -0.106 18.975 19.000 0.136 0.000 0.801 1271 A HN 1.477 nan 8.150 nan 0.000 0.452 1272 W N 0.454 121.660 121.300 -0.157 0.000 2.683 1272 W HA 0.541 5.201 4.660 -0.000 0.000 0.329 1272 W C -1.535 174.907 176.519 -0.128 0.000 1.037 1272 W CA -1.780 55.412 57.345 -0.254 0.000 1.232 1272 W CB 0.972 30.173 29.460 -0.431 0.000 1.390 1272 W HN 0.058 nan 8.180 nan 0.000 0.465 1273 D N 8.334 128.392 120.400 -0.569 0.000 2.336 1273 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 1273 D C -1.101 174.465 176.300 -1.225 0.000 1.213 1273 D CA -2.177 51.445 54.000 -0.631 0.000 0.870 1273 D CB 1.647 42.255 40.800 -0.321 0.000 1.076 1273 D HN 0.249 nan 8.370 nan 0.000 0.483 1274 P HA -0.131 nan 4.420 nan 0.000 0.234 1274 P C 0.206 177.164 177.300 -0.571 0.000 1.162 1274 P CA 0.753 62.994 63.100 -1.431 0.000 0.759 1274 P CB 0.166 31.418 31.700 -0.747 0.000 0.813 1275 K N -0.057 120.107 120.400 -0.394 0.000 2.387 1275 K HA 0.104 4.424 4.320 -0.000 0.000 0.198 1275 K C 0.836 177.373 176.600 -0.104 0.000 1.022 1275 K CA 0.263 56.443 56.287 -0.180 0.000 1.128 1275 K CB 0.252 32.667 32.500 -0.143 0.000 0.853 1275 K HN 0.273 nan 8.250 nan 0.000 0.523 1276 T N -3.049 111.448 114.554 -0.094 0.000 2.906 1276 T HA 0.167 4.516 4.350 -0.000 0.000 0.295 1276 T C -0.081 174.768 174.700 0.248 0.000 1.075 1276 T CA -0.771 61.347 62.100 0.031 0.000 1.005 1276 T CB 1.904 70.763 68.868 -0.015 0.000 1.136 1276 T HN -0.174 nan 8.240 nan 0.000 0.498 1277 T N 1.905 116.547 114.554 0.147 0.000 2.888 1277 T HA 0.098 4.448 4.350 -0.000 0.000 0.301 1277 T C 0.177 174.931 174.700 0.090 0.000 1.001 1277 T CA -0.167 62.011 62.100 0.130 0.000 1.147 1277 T CB -0.403 68.468 68.868 0.005 0.000 0.931 1277 T HN 0.672 nan 8.240 nan 0.000 0.541 1278 H N 3.768 122.724 119.070 -0.190 0.000 2.928 1278 H HA 0.169 4.725 4.556 -0.000 0.000 0.338 1278 H C 1.351 176.337 175.328 -0.570 0.000 1.047 1278 H CA 0.422 56.044 56.048 -0.711 0.000 1.435 1278 H CB 0.902 29.940 29.762 -1.208 0.000 1.428 1278 H HN 0.852 nan 8.280 nan 0.000 0.590 1279 A N 5.155 127.586 122.820 -0.650 0.000 1.948 1279 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 1279 A C 2.601 179.565 177.584 -1.034 0.000 1.177 1279 A CA 1.612 53.181 52.037 -0.780 0.000 0.636 1279 A CB -0.855 17.630 19.000 -0.859 0.000 0.815 1279 A HN 0.590 nan 8.150 nan 0.000 0.449 1280 V N -0.213 119.324 119.914 -0.629 0.000 2.546 1280 V HA -0.233 3.887 4.120 -0.000 0.000 0.254 1280 V C 2.418 178.289 176.094 -0.371 0.000 1.076 1280 V CA 2.233 64.165 62.300 -0.615 0.000 1.087 1280 V CB -0.375 31.205 31.823 -0.404 0.000 0.674 1280 V HN 0.395 nan 8.190 nan 0.000 0.470 1281 V N -0.046 119.706 119.914 -0.271 0.000 2.358 1281 V HA -0.195 3.925 4.120 -0.000 0.000 0.246 1281 V C 2.541 178.519 176.094 -0.193 0.000 1.047 1281 V CA 2.240 64.448 62.300 -0.153 0.000 1.035 1281 V CB -0.826 30.929 31.823 -0.113 0.000 0.658 1281 V HN 0.551 nan 8.190 nan 0.000 0.452 1282 R N 0.251 120.587 120.500 -0.275 0.000 2.073 1282 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 1282 R C 2.033 178.338 176.300 0.008 0.000 1.134 1282 R CA 1.908 57.904 56.100 -0.174 0.000 0.952 1282 R CB -0.715 29.404 30.300 -0.301 0.000 0.850 1282 R HN 0.381 nan 8.270 nan 0.000 0.433 1283 F N 1.354 121.172 119.950 -0.219 0.000 2.126 1283 F HA -0.102 4.425 4.527 -0.000 0.000 0.299 1283 F C 2.204 177.909 175.800 -0.158 0.000 1.096 1283 F CA 1.417 59.281 58.000 -0.226 0.000 1.255 1283 F CB -1.104 37.533 39.000 -0.606 0.000 0.997 1283 F HN 0.165 nan 8.300 nan 0.000 0.479 1284 K N 0.441 120.800 120.400 -0.067 0.000 2.009 1284 K HA -0.207 4.113 4.320 -0.000 0.000 0.210 1284 K C 1.850 178.416 176.600 -0.057 0.000 1.049 1284 K CA 1.767 57.998 56.287 -0.093 0.000 0.929 1284 K CB -0.209 32.060 32.500 -0.384 0.000 0.714 1284 K HN 0.122 nan 8.250 nan 0.000 0.440 1285 N N 1.464 120.128 118.700 -0.060 0.000 2.166 1285 N HA -0.125 4.615 4.740 -0.000 0.000 0.186 1285 N C 0.753 176.274 175.510 0.019 0.000 1.019 1285 N CA 1.254 54.283 53.050 -0.034 0.000 0.856 1285 N CB -0.237 38.229 38.487 -0.035 0.000 0.993 1285 N HN 0.301 nan 8.380 nan 0.000 0.426 1286 D N 0.821 121.267 120.400 0.076 0.000 2.328 1286 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 1286 D C 0.179 176.531 176.300 0.086 0.000 1.066 1286 D CA 0.123 54.180 54.000 0.095 0.000 0.861 1286 D CB 0.190 41.091 40.800 0.168 0.000 0.912 1286 D HN -0.006 nan 8.370 nan 0.000 0.521 1287 K N -0.104 120.349 120.400 0.088 0.000 3.035 1287 K HA -0.186 4.134 4.320 -0.000 0.000 0.262 1287 K C 0.319 177.002 176.600 0.138 0.000 1.024 1287 K CA 0.537 56.881 56.287 0.095 0.000 0.748 1287 K CB -2.280 30.248 32.500 0.047 0.000 1.247 1287 K HN 0.304 nan 8.250 nan 0.000 0.482 1288 A N 1.074 124.017 122.820 0.206 0.000 2.387 1288 A HA 0.105 4.425 4.320 -0.000 0.000 0.251 1288 A C 0.593 178.343 177.584 0.276 0.000 1.113 1288 A CA 0.270 52.432 52.037 0.209 0.000 0.794 1288 A CB 0.163 19.256 19.000 0.154 0.000 1.069 1288 A HN 0.475 nan 8.150 nan 0.000 0.506 1289 N N -0.082 118.745 118.700 0.213 0.000 2.527 1289 N HA 0.501 5.241 4.740 -0.000 0.000 0.236 1289 N C -1.390 174.171 175.510 0.084 0.000 0.999 1289 N CA -0.333 52.809 53.050 0.152 0.000 0.935 1289 N CB 0.349 38.898 38.487 0.104 0.000 1.132 1289 N HN 0.608 nan 8.380 nan 0.000 0.511 1290 Y N 0.604 120.849 120.300 -0.093 0.000 2.655 1290 Y HA 0.656 5.206 4.550 -0.000 0.000 0.336 1290 Y C -1.120 174.790 175.900 0.017 0.000 1.154 1290 Y CA -1.209 56.737 58.100 -0.255 0.000 1.055 1290 Y CB 0.670 39.144 38.460 0.024 0.000 1.295 1290 Y HN 0.222 nan 8.280 nan 0.000 0.465 1291 S N 1.068 116.822 115.700 0.090 0.000 2.632 1291 S HA 0.770 5.240 4.470 -0.000 0.000 0.289 1291 S C -1.912 172.830 174.600 0.236 0.000 1.115 1291 S CA -0.805 57.496 58.200 0.170 0.000 0.889 1291 S CB 2.087 65.490 63.200 0.339 0.000 1.116 1291 S HN 0.656 nan 8.310 nan 0.000 0.486 1292 L N 2.207 123.531 121.223 0.168 0.000 2.296 1292 L HA 0.604 4.944 4.340 -0.000 0.000 0.286 1292 L C -0.873 176.111 176.870 0.191 0.000 1.023 1292 L CA -0.238 54.665 54.840 0.105 0.000 0.812 1292 L CB 0.720 42.658 42.059 -0.202 0.000 1.223 1292 L HN 0.862 nan 8.230 nan 0.000 0.421 1293 N N 0.939 119.762 118.700 0.205 0.000 2.262 1293 N HA 0.431 5.171 4.740 -0.000 0.000 0.295 1293 N C 0.449 176.136 175.510 0.295 0.000 1.161 1293 N CA -0.614 52.596 53.050 0.268 0.000 0.767 1293 N CB 1.758 40.429 38.487 0.307 0.000 1.499 1293 N HN 0.405 nan 8.380 nan 0.000 0.476 1294 T N -0.350 114.401 114.554 0.327 0.000 2.896 1294 T HA -0.084 4.266 4.350 -0.000 0.000 0.263 1294 T C 0.566 175.554 174.700 0.479 0.000 1.050 1294 T CA 1.333 63.654 62.100 0.368 0.000 1.140 1294 T CB -0.359 68.701 68.868 0.320 0.000 0.877 1294 T HN 0.783 nan 8.240 nan 0.000 0.457 1295 D N 0.732 121.435 120.400 0.504 0.000 4.286 1295 D HA -0.165 4.475 4.640 -0.000 0.000 0.203 1295 D C -0.634 176.007 176.300 0.569 0.000 1.071 1295 D CA 2.191 56.553 54.000 0.603 0.000 2.291 1295 D CB -1.205 40.003 40.800 0.681 0.000 1.164 1295 D HN 0.543 nan 8.370 nan 0.000 0.407 1296 D N 0.121 120.887 120.400 0.609 0.000 2.517 1296 D HA 0.260 4.900 4.640 -0.000 0.000 0.263 1296 D C -1.995 174.474 176.300 0.282 0.000 1.233 1296 D CA -0.719 53.490 54.000 0.349 0.000 0.849 1296 D CB 1.975 42.872 40.800 0.160 0.000 1.261 1296 D HN 0.127 nan 8.370 nan 0.000 0.516 1297 P HA -0.173 nan 4.420 nan 0.000 0.220 1297 P C 1.570 178.971 177.300 0.168 0.000 1.148 1297 P CA 0.367 63.648 63.100 0.301 0.000 0.803 1297 P CB 0.586 32.435 31.700 0.249 0.000 0.782 1298 L N -0.155 121.106 121.223 0.065 0.000 2.017 1298 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 1298 L C 2.466 179.292 176.870 -0.073 0.000 1.073 1298 L CA 1.810 56.621 54.840 -0.048 0.000 0.745 1298 L CB -1.258 40.696 42.059 -0.175 0.000 0.894 1298 L HN -0.193 nan 8.230 nan 0.000 0.432 1299 I N -1.449 119.034 120.570 -0.145 0.000 2.406 1299 I HA -0.187 3.983 4.170 -0.000 0.000 0.249 1299 I C 1.463 177.560 176.117 -0.034 0.000 1.122 1299 I CA 0.773 61.969 61.300 -0.173 0.000 1.431 1299 I CB -0.255 37.564 38.000 -0.302 0.000 1.087 1299 I HN 0.145 nan 8.210 nan 0.000 0.424 1300 F N 1.484 121.595 119.950 0.268 0.000 2.797 1300 F HA 0.138 4.665 4.527 -0.000 0.000 0.302 1300 F C 0.835 176.894 175.800 0.431 0.000 1.130 1300 F CA -0.460 57.733 58.000 0.322 0.000 1.387 1300 F CB -0.910 38.286 39.000 0.327 0.000 1.107 1300 F HN -0.069 nan 8.300 nan 0.000 0.577 1301 K N 1.363 121.989 120.400 0.377 0.000 3.451 1301 K HA -0.187 4.133 4.320 -0.000 0.000 0.273 1301 K C 0.117 176.877 176.600 0.267 0.000 0.944 1301 K CA 0.705 57.150 56.287 0.263 0.000 0.734 1301 K CB -1.943 30.698 32.500 0.234 0.000 1.437 1301 K HN 0.462 nan 8.250 nan 0.000 0.454 1302 S N -1.973 113.890 115.700 0.271 0.000 2.794 1302 S HA 0.718 5.188 4.470 -0.000 0.000 0.299 1302 S C -0.317 174.359 174.600 0.127 0.000 1.179 1302 S CA -0.309 57.997 58.200 0.177 0.000 0.838 1302 S CB 2.896 66.263 63.200 0.279 0.000 1.206 1302 S HN 0.232 nan 8.310 nan 0.000 0.523 1303 T N -0.937 113.658 114.554 0.069 0.000 2.804 1303 T HA 0.495 4.844 4.350 -0.000 0.000 0.290 1303 T C 0.164 174.903 174.700 0.065 0.000 1.099 1303 T CA -0.579 61.548 62.100 0.046 0.000 1.011 1303 T CB 1.056 69.915 68.868 -0.015 0.000 1.291 1303 T HN 0.465 nan 8.240 nan 0.000 0.523 1304 L N 1.505 122.757 121.223 0.047 0.000 2.201 1304 L HA 0.186 4.526 4.340 -0.000 0.000 0.212 1304 L C 1.907 178.833 176.870 0.092 0.000 1.105 1304 L CA 1.969 56.866 54.840 0.094 0.000 0.775 1304 L CB -0.885 41.193 42.059 0.032 0.000 0.913 1304 L HN 0.812 nan 8.230 nan 0.000 0.440 1305 D N -1.897 118.494 120.400 -0.015 0.000 2.264 1305 D HA -0.141 4.499 4.640 -0.000 0.000 0.208 1305 D C 1.876 178.164 176.300 -0.020 0.000 0.966 1305 D CA 1.133 55.113 54.000 -0.034 0.000 0.864 1305 D CB 0.323 41.075 40.800 -0.080 0.000 0.933 1305 D HN 0.304 nan 8.370 nan 0.000 0.499 1306 T N -0.101 114.419 114.554 -0.056 0.000 2.708 1306 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 1306 T C 1.347 175.960 174.700 -0.143 0.000 1.037 1306 T CA 1.327 63.316 62.100 -0.186 0.000 1.146 1306 T CB -0.248 68.439 68.868 -0.302 0.000 0.865 1306 T HN 0.257 nan 8.240 nan 0.000 0.435 1307 D N 0.082 120.474 120.400 -0.013 0.000 2.144 1307 D HA -0.072 4.567 4.640 -0.000 0.000 0.200 1307 D C 1.905 178.125 176.300 -0.134 0.000 0.978 1307 D CA 1.109 55.086 54.000 -0.039 0.000 0.833 1307 D CB -0.186 40.635 40.800 0.035 0.000 0.961 1307 D HN 0.411 nan 8.370 nan 0.000 0.470 1308 Y N 1.550 121.750 120.300 -0.167 0.000 2.293 1308 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 1308 Y C 2.690 178.528 175.900 -0.102 0.000 1.137 1308 Y CA 0.785 58.749 58.100 -0.227 0.000 1.202 1308 Y CB -0.095 38.122 38.460 -0.405 0.000 0.990 1308 Y HN -0.089 nan 8.280 nan 0.000 0.537 1309 Q N -0.437 119.376 119.800 0.023 0.000 2.083 1309 Q HA -0.188 4.152 4.340 -0.000 0.000 0.198 1309 Q C 2.456 178.415 176.000 -0.068 0.000 0.969 1309 Q CA 1.419 57.215 55.803 -0.011 0.000 0.838 1309 Q CB -0.567 28.134 28.738 -0.061 0.000 0.900 1309 Q HN 0.589 nan 8.270 nan 0.000 0.436 1310 M N 0.968 120.485 119.600 -0.138 0.000 2.065 1310 M HA -0.201 4.279 4.480 -0.000 0.000 0.259 1310 M C 2.175 178.339 176.300 -0.226 0.000 1.069 1310 M CA 2.418 57.610 55.300 -0.180 0.000 1.110 1310 M CB -0.278 32.209 32.600 -0.188 0.000 1.328 1310 M HN 0.284 nan 8.290 nan 0.000 0.405 1311 T N -1.766 112.588 114.554 -0.334 0.000 2.951 1311 T HA -0.131 4.218 4.350 -0.000 0.000 0.268 1311 T C 1.782 176.356 174.700 -0.210 0.000 1.073 1311 T CA 1.492 63.262 62.100 -0.550 0.000 1.134 1311 T CB -0.428 67.715 68.868 -1.208 0.000 0.884 1311 T HN 0.558 nan 8.240 nan 0.000 0.479 1312 K N 1.132 121.544 120.400 0.019 0.000 2.007 1312 K HA -0.035 4.284 4.320 -0.000 0.000 0.206 1312 K C 2.338 178.971 176.600 0.055 0.000 1.047 1312 K CA 0.988 57.358 56.287 0.139 0.000 0.937 1312 K CB -0.064 32.596 32.500 0.266 0.000 0.718 1312 K HN 0.249 nan 8.250 nan 0.000 0.438 1313 K N 0.693 121.103 120.400 0.015 0.000 2.002 1313 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 1313 K C 0.383 176.975 176.600 -0.013 0.000 1.048 1313 K CA 1.598 57.884 56.287 -0.002 0.000 0.930 1313 K CB -0.054 32.433 32.500 -0.021 0.000 0.714 1313 K HN 0.291 nan 8.250 nan 0.000 0.438 1314 D N -1.098 119.279 120.400 -0.039 0.000 2.440 1314 D HA 0.220 4.859 4.640 -0.000 0.000 0.258 1314 D C 0.867 177.139 176.300 -0.046 0.000 1.092 1314 D CA -0.310 53.669 54.000 -0.035 0.000 1.016 1314 D CB 1.213 41.988 40.800 -0.042 0.000 1.141 1314 D HN -0.001 nan 8.370 nan 0.000 0.552 1315 M N -0.756 118.828 119.600 -0.028 0.000 2.857 1315 M HA -0.272 4.208 4.480 -0.000 0.000 0.165 1315 M C 1.048 177.421 176.300 0.122 0.000 0.671 1315 M CA 1.386 56.697 55.300 0.018 0.000 0.631 1315 M CB -1.527 31.029 32.600 -0.073 0.000 2.295 1315 M HN 0.784 nan 8.290 nan 0.000 0.270 1316 G N 0.688 109.540 108.800 0.086 0.000 2.273 1316 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.280 1316 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.280 1316 G C -0.257 174.685 174.900 0.069 0.000 1.047 1316 G CA 0.243 45.380 45.100 0.062 0.000 0.869 1316 G HN 0.408 nan 8.290 nan 0.000 0.502 1317 F N 1.330 121.144 119.950 -0.227 0.000 2.471 1317 F HA 0.519 5.045 4.527 -0.000 0.000 0.353 1317 F C 1.518 176.997 175.800 -0.534 0.000 1.113 1317 F CA 0.075 57.806 58.000 -0.447 0.000 1.262 1317 F CB 1.014 39.628 39.000 -0.644 0.000 1.146 1317 F HN 0.288 nan 8.300 nan 0.000 0.578 1318 T N -1.196 113.068 114.554 -0.483 0.000 2.937 1318 T HA 0.278 4.628 4.350 -0.000 0.000 0.283 1318 T C 0.988 175.434 174.700 -0.424 0.000 1.012 1318 T CA -0.689 61.212 62.100 -0.332 0.000 0.997 1318 T CB 1.430 70.173 68.868 -0.209 0.000 1.136 1318 T HN 0.707 nan 8.240 nan 0.000 0.551 1319 E N 0.256 120.418 120.200 -0.064 0.000 2.077 1319 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 1319 E C 1.632 178.220 176.600 -0.020 0.000 0.989 1319 E CA 1.535 58.023 56.400 0.146 0.000 0.800 1319 E CB -0.101 29.723 29.700 0.206 0.000 0.746 1319 E HN 0.763 nan 8.360 nan 0.000 0.452 1320 E N 0.664 120.807 120.200 -0.096 0.000 2.058 1320 E HA -0.238 4.111 4.350 -0.000 0.000 0.194 1320 E C 1.949 178.441 176.600 -0.180 0.000 0.997 1320 E CA 1.555 57.884 56.400 -0.118 0.000 0.801 1320 E CB -0.170 29.468 29.700 -0.104 0.000 0.746 1320 E HN 0.209 nan 8.360 nan 0.000 0.450 1321 E N -0.067 119.963 120.200 -0.283 0.000 2.085 1321 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 1321 E C 1.568 178.009 176.600 -0.264 0.000 0.994 1321 E CA 1.082 57.279 56.400 -0.338 0.000 0.801 1321 E CB -0.256 29.109 29.700 -0.557 0.000 0.743 1321 E HN 0.185 nan 8.360 nan 0.000 0.453 1322 F N 1.006 120.784 119.950 -0.286 0.000 2.126 1322 F HA -0.106 4.421 4.527 -0.000 0.000 0.299 1322 F C 2.153 177.644 175.800 -0.514 0.000 1.096 1322 F CA 1.329 59.008 58.000 -0.534 0.000 1.255 1322 F CB -0.592 37.701 39.000 -1.180 0.000 0.997 1322 F HN 0.042 nan 8.300 nan 0.000 0.479 1323 K N -0.325 119.928 120.400 -0.246 0.000 2.057 1323 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 1323 K C 2.308 178.875 176.600 -0.055 0.000 1.050 1323 K CA 1.077 57.217 56.287 -0.245 0.000 0.935 1323 K CB -0.226 32.029 32.500 -0.408 0.000 0.715 1323 K HN 0.096 nan 8.250 nan 0.000 0.439 1324 R N 1.608 122.055 120.500 -0.090 0.000 2.080 1324 R HA -0.129 4.211 4.340 -0.000 0.000 0.236 1324 R C 2.383 178.647 176.300 -0.060 0.000 1.137 1324 R CA 1.567 57.630 56.100 -0.061 0.000 0.943 1324 R CB -0.314 29.930 30.300 -0.092 0.000 0.846 1324 R HN 0.242 nan 8.270 nan 0.000 0.431 1325 L N -1.055 120.092 121.223 -0.126 0.000 2.141 1325 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 1325 L C 1.036 177.887 176.870 -0.032 0.000 1.094 1325 L CA 1.936 56.650 54.840 -0.210 0.000 0.763 1325 L CB -1.293 40.479 42.059 -0.478 0.000 0.908 1325 L HN 0.128 nan 8.230 nan 0.000 0.437 1326 N N 0.770 119.515 118.700 0.074 0.000 2.270 1326 N HA 0.013 4.753 4.740 -0.000 0.000 0.181 1326 N C 2.033 177.638 175.510 0.157 0.000 1.016 1326 N CA 1.287 54.443 53.050 0.177 0.000 0.870 1326 N CB -0.089 38.593 38.487 0.325 0.000 0.979 1326 N HN 0.335 nan 8.380 nan 0.000 0.431 1327 I N 0.642 121.299 120.570 0.145 0.000 2.252 1327 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 1327 I C 1.611 177.784 176.117 0.092 0.000 1.102 1327 I CA 0.753 62.131 61.300 0.130 0.000 1.385 1327 I CB -0.197 37.883 38.000 0.133 0.000 1.064 1327 I HN 0.163 nan 8.210 nan 0.000 0.414 1328 N N 1.221 119.962 118.700 0.068 0.000 2.104 1328 N HA -0.161 4.579 4.740 -0.000 0.000 0.190 1328 N C 1.886 177.428 175.510 0.053 0.000 1.024 1328 N CA 1.683 54.771 53.050 0.063 0.000 0.853 1328 N CB -0.436 38.081 38.487 0.050 0.000 1.008 1328 N HN 0.364 nan 8.380 nan 0.000 0.424 1329 A N 0.617 123.481 122.820 0.073 0.000 1.933 1329 A HA 0.013 4.333 4.320 -0.000 0.000 0.218 1329 A C 2.321 179.875 177.584 -0.050 0.000 1.175 1329 A CA 1.954 54.002 52.037 0.019 0.000 0.628 1329 A CB -0.836 18.234 19.000 0.117 0.000 0.814 1329 A HN 0.326 nan 8.150 nan 0.000 0.444 1330 A N -0.237 122.594 122.820 0.017 0.000 1.898 1330 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 1330 A C 2.099 179.645 177.584 -0.065 0.000 1.181 1330 A CA 1.699 53.733 52.037 -0.005 0.000 0.620 1330 A CB -0.406 18.611 19.000 0.028 0.000 0.819 1330 A HN 0.520 nan 8.150 nan 0.000 0.442 1331 K N 0.164 120.541 120.400 -0.039 0.000 2.147 1331 K HA -0.033 4.287 4.320 -0.000 0.000 0.205 1331 K C 1.513 178.046 176.600 -0.112 0.000 1.049 1331 K CA 1.399 57.656 56.287 -0.049 0.000 0.936 1331 K CB -0.087 32.411 32.500 -0.004 0.000 0.722 1331 K HN 0.394 nan 8.250 nan 0.000 0.446 1332 S N 1.077 116.664 115.700 -0.190 0.000 2.631 1332 S HA 0.010 4.480 4.470 -0.000 0.000 0.217 1332 S C 0.444 174.743 174.600 -0.501 0.000 0.958 1332 S CA -0.268 57.731 58.200 -0.335 0.000 0.920 1332 S CB 0.056 62.942 63.200 -0.523 0.000 0.776 1332 S HN 0.307 nan 8.310 nan 0.000 0.517 1333 S N 0.849 116.333 115.700 -0.360 0.000 2.600 1333 S HA 0.345 4.814 4.470 -0.000 0.000 0.265 1333 S C 0.015 174.373 174.600 -0.402 0.000 1.325 1333 S CA -0.436 57.546 58.200 -0.364 0.000 1.002 1333 S CB 0.027 63.171 63.200 -0.093 0.000 0.921 1333 S HN 0.184 nan 8.310 nan 0.000 0.554 1334 F N 0.317 120.188 119.950 -0.131 0.000 2.701 1334 F HA 0.433 4.959 4.527 -0.000 0.000 0.295 1334 F C 0.155 175.872 175.800 -0.138 0.000 1.165 1334 F CA -0.958 56.831 58.000 -0.352 0.000 1.399 1334 F CB -0.808 38.026 39.000 -0.278 0.000 0.996 1334 F HN 0.298 nan 8.300 nan 0.000 0.513 1335 L N 1.269 122.507 121.223 0.026 0.000 2.399 1335 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 1335 L C -2.054 174.828 176.870 0.019 0.000 1.114 1335 L CA -2.480 52.361 54.840 0.001 0.000 0.804 1335 L CB 0.395 42.336 42.059 -0.197 0.000 1.146 1335 L HN -0.134 nan 8.230 nan 0.000 0.451 1336 P HA 0.069 nan 4.420 nan 0.000 0.269 1336 P C 0.348 177.652 177.300 0.007 0.000 1.215 1336 P CA -0.235 62.893 63.100 0.047 0.000 0.780 1336 P CB 0.540 32.267 31.700 0.043 0.000 0.898 1337 E N 1.660 121.870 120.200 0.016 0.000 2.114 1337 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 1337 E C 1.442 178.031 176.600 -0.018 0.000 1.008 1337 E CA 1.836 58.235 56.400 -0.002 0.000 0.810 1337 E CB -0.152 29.553 29.700 0.008 0.000 0.739 1337 E HN 0.517 nan 8.360 nan 0.000 0.456 1338 E N 0.630 120.823 120.200 -0.011 0.000 2.077 1338 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 1338 E C 2.007 178.589 176.600 -0.031 0.000 0.989 1338 E CA 1.325 57.716 56.400 -0.017 0.000 0.800 1338 E CB -0.231 29.465 29.700 -0.007 0.000 0.746 1338 E HN 0.399 nan 8.360 nan 0.000 0.452 1339 E N 0.637 120.814 120.200 -0.040 0.000 2.152 1339 E HA -0.123 4.227 4.350 -0.000 0.000 0.192 1339 E C 1.948 178.477 176.600 -0.118 0.000 0.983 1339 E CA 0.673 57.031 56.400 -0.070 0.000 0.818 1339 E CB -0.062 29.598 29.700 -0.066 0.000 0.758 1339 E HN 0.138 nan 8.360 nan 0.000 0.467 1340 K N 1.794 122.127 120.400 -0.112 0.000 2.097 1340 K HA -0.165 4.155 4.320 -0.000 0.000 0.205 1340 K C 2.082 178.632 176.600 -0.085 0.000 1.050 1340 K CA 1.087 57.295 56.287 -0.131 0.000 0.938 1340 K CB 0.115 32.557 32.500 -0.097 0.000 0.718 1340 K HN -0.135 nan 8.250 nan 0.000 0.442 1341 K N 0.932 121.297 120.400 -0.059 0.000 2.026 1341 K HA -0.151 4.168 4.320 -0.000 0.000 0.208 1341 K C 1.779 178.354 176.600 -0.042 0.000 1.048 1341 K CA 1.821 58.081 56.287 -0.044 0.000 0.929 1341 K CB 0.102 32.580 32.500 -0.036 0.000 0.713 1341 K HN 0.216 nan 8.250 nan 0.000 0.439 1342 E N 0.548 120.719 120.200 -0.048 0.000 2.077 1342 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 1342 E C 2.064 178.638 176.600 -0.043 0.000 0.989 1342 E CA 1.044 57.420 56.400 -0.040 0.000 0.800 1342 E CB -0.113 29.563 29.700 -0.040 0.000 0.746 1342 E HN 0.299 nan 8.360 nan 0.000 0.452 1343 L N 0.803 121.983 121.223 -0.072 0.000 2.012 1343 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 1343 L C 2.353 179.208 176.870 -0.025 0.000 1.073 1343 L CA 1.190 55.987 54.840 -0.073 0.000 0.748 1343 L CB -0.137 41.832 42.059 -0.150 0.000 0.891 1343 L HN 0.208 nan 8.230 nan 0.000 0.431 1344 L N -0.470 120.754 121.223 0.001 0.000 2.083 1344 L HA -0.233 4.107 4.340 -0.000 0.000 0.209 1344 L C 2.514 179.457 176.870 0.121 0.000 1.083 1344 L CA 1.327 56.223 54.840 0.092 0.000 0.752 1344 L CB -0.475 41.630 42.059 0.076 0.000 0.899 1344 L HN 0.295 nan 8.230 nan 0.000 0.433 1345 E N -0.373 119.847 120.200 0.033 0.000 2.058 1345 E HA -0.257 4.093 4.350 -0.000 0.000 0.194 1345 E C 2.299 178.919 176.600 0.034 0.000 0.997 1345 E CA 0.892 57.307 56.400 0.025 0.000 0.801 1345 E CB -0.182 29.514 29.700 -0.007 0.000 0.746 1345 E HN 0.320 nan 8.360 nan 0.000 0.450 1346 R N 0.954 121.451 120.500 -0.004 0.000 2.082 1346 R HA -0.154 4.185 4.340 -0.000 0.000 0.234 1346 R C 2.495 178.728 176.300 -0.111 0.000 1.136 1346 R CA 1.244 57.319 56.100 -0.042 0.000 0.935 1346 R CB -0.470 29.803 30.300 -0.045 0.000 0.842 1346 R HN 0.189 nan 8.270 nan 0.000 0.430 1347 L N -0.617 120.505 121.223 -0.170 0.000 1.989 1347 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 1347 L C 2.470 179.035 176.870 -0.509 0.000 1.071 1347 L CA 1.665 56.205 54.840 -0.501 0.000 0.749 1347 L CB -0.718 41.080 42.059 -0.435 0.000 0.890 1347 L HN 0.245 nan 8.230 nan 0.000 0.431 1348 Y N -0.382 119.805 120.300 -0.188 0.000 2.274 1348 Y HA -0.235 4.315 4.550 -0.000 0.000 0.290 1348 Y C 2.868 178.759 175.900 -0.015 0.000 1.145 1348 Y CA 1.380 59.463 58.100 -0.028 0.000 1.203 1348 Y CB -0.279 38.189 38.460 0.013 0.000 0.984 1348 Y HN 0.070 nan 8.280 nan 0.000 0.533 1349 R N 0.671 121.222 120.500 0.085 0.000 2.066 1349 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 1349 R C 1.511 177.822 176.300 0.018 0.000 1.131 1349 R CA 1.886 58.014 56.100 0.048 0.000 0.955 1349 R CB -0.136 30.174 30.300 0.017 0.000 0.851 1349 R HN 0.405 nan 8.270 nan 0.000 0.432 1350 E N -0.905 119.264 120.200 -0.052 0.000 2.481 1350 E HA -0.108 4.242 4.350 -0.000 0.000 0.195 1350 E C 0.845 177.497 176.600 0.087 0.000 1.047 1350 E CA 0.224 56.604 56.400 -0.033 0.000 0.867 1350 E CB 0.262 29.906 29.700 -0.094 0.000 0.858 1350 E HN 0.395 nan 8.360 nan 0.000 0.513 1351 Y N 0.957 121.249 120.300 -0.014 0.000 2.500 1351 Y HA 0.105 4.655 4.550 -0.000 0.000 0.270 1351 Y C 1.397 177.297 175.900 -0.001 0.000 1.134 1351 Y CA 0.083 58.170 58.100 -0.022 0.000 1.293 1351 Y CB 0.062 38.486 38.460 -0.059 0.000 1.063 1351 Y HN -0.047 nan 8.280 nan 0.000 0.534 1352 Q N 0.000 119.899 119.800 0.165 0.000 2.315 1352 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 1352 Q CA 0.000 55.870 55.803 0.112 0.000 1.022 1352 Q CB 0.000 28.798 28.738 0.100 0.000 1.108 1352 Q HN 0.000 nan 8.270 nan 0.000 0.481