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 1lrn_1_A DATA FIRST_RESID 1002 DATA SEQUENCE EKFLVIAGPC AIESEELLLK VGEEIKRLSE KFKEVEFVFK SSFDKANRSS DATA SEQUENCE IHSFRGHGLE YGVKALRKVK EEFGLKITTD IHESWQAEPV AEVADIIQIP DATA SEQUENCE AFLCRQTDLL LAAAKTGRAV NVKKGQFLAP WDTKNVVEKL KFGGAKEIYL DATA SEQUENCE TERGTTFGYN NLVVDFRSLP IMKQWAKVIY DATGSVQLPG GLXXXXGGMR DATA SEQUENCE EFIFPLIRAA VAVGCDGVFM ETHPEPEKAL SDASTQLPLS QLEGIIEAIL DATA SEQUENCE EIREVASKYY ETI 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 1002 E HA 0.000 nan 4.350 nan 0.000 0.291 1002 E C 0.000 176.675 176.600 0.124 0.000 1.382 1002 E CA 0.000 56.457 56.400 0.095 0.000 0.976 1002 E CB 0.000 29.752 29.700 0.087 0.000 0.812 1003 K N 1.930 122.397 120.400 0.112 0.000 2.378 1003 K HA 0.235 4.555 4.320 0.000 0.000 0.288 1003 K C -0.508 176.183 176.600 0.151 0.000 1.057 1003 K CA -0.237 56.126 56.287 0.127 0.000 0.971 1003 K CB 0.141 32.700 32.500 0.097 0.000 0.975 1003 K HN 0.458 nan 8.250 nan 0.000 0.475 1004 F N 4.687 124.641 119.950 0.007 0.000 2.572 1004 F HA 0.064 4.591 4.527 0.000 0.000 0.370 1004 F C -0.187 175.565 175.800 -0.080 0.000 1.103 1004 F CA -0.369 57.618 58.000 -0.023 0.000 1.286 1004 F CB 0.449 39.425 39.000 -0.041 0.000 1.105 1004 F HN 0.393 nan 8.300 nan 0.000 0.583 1005 L N 6.162 127.026 121.223 -0.597 0.000 2.295 1005 L HA 0.493 4.833 4.340 0.000 0.000 0.285 1005 L C -1.061 175.462 176.870 -0.578 0.000 1.035 1005 L CA -0.370 54.190 54.840 -0.466 0.000 0.806 1005 L CB 1.589 43.431 42.059 -0.362 0.000 1.214 1005 L HN 0.353 nan 8.230 nan 0.000 0.426 1006 V N 6.439 126.075 119.914 -0.462 0.000 2.380 1006 V HA 0.407 4.527 4.120 0.000 0.000 0.286 1006 V C -0.074 175.859 176.094 -0.268 0.000 1.015 1006 V CA -0.447 61.613 62.300 -0.400 0.000 0.834 1006 V CB 1.350 32.809 31.823 -0.607 0.000 1.009 1006 V HN 0.511 nan 8.190 nan 0.000 0.428 1007 I N 4.613 125.039 120.570 -0.240 0.000 2.315 1007 I HA 0.784 4.954 4.170 0.000 0.000 0.291 1007 I C 0.384 176.251 176.117 -0.417 0.000 1.006 1007 I CA -0.017 61.118 61.300 -0.275 0.000 1.265 1007 I CB 1.382 39.231 38.000 -0.251 0.000 1.387 1007 I HN 0.680 nan 8.210 nan 0.000 0.475 1008 A N 4.616 127.228 122.820 -0.347 0.000 2.606 1008 A HA 0.992 5.312 4.320 0.000 0.000 0.293 1008 A C -0.463 176.822 177.584 -0.498 0.000 1.082 1008 A CA -0.247 51.552 52.037 -0.396 0.000 0.685 1008 A CB 1.995 20.896 19.000 -0.164 0.000 1.284 1008 A HN 0.912 nan 8.150 nan 0.000 0.408 1009 G N -0.137 108.355 108.800 -0.514 0.000 2.320 1009 G HA2 0.541 4.501 3.960 0.000 0.000 0.297 1009 G HA3 0.541 4.501 3.960 0.000 0.000 0.297 1009 G C -3.563 171.100 174.900 -0.395 0.000 1.344 1009 G CA -0.243 44.447 45.100 -0.683 0.000 0.851 1009 G HN 0.720 nan 8.290 nan 0.000 0.567 1010 P HA 0.205 nan 4.420 nan 0.000 0.271 1010 P C 1.361 178.631 177.300 -0.051 0.000 1.216 1010 P CA 0.035 63.089 63.100 -0.077 0.000 0.776 1010 P CB 1.595 33.286 31.700 -0.016 0.000 0.881 1011 C N 3.219 122.536 119.300 0.029 0.000 2.393 1011 C HA -0.015 4.446 4.460 0.000 0.000 0.276 1011 C C 1.243 176.278 174.990 0.074 0.000 1.215 1011 C CA 1.710 60.754 59.018 0.042 0.000 1.743 1011 C CB -1.404 26.378 27.740 0.070 0.000 2.044 1011 C HN 0.701 nan 8.230 nan 0.000 0.464 1012 A N -0.584 122.325 122.820 0.147 0.000 2.380 1012 A HA 0.705 5.026 4.320 0.000 0.000 0.315 1012 A C -0.286 177.463 177.584 0.275 0.000 1.101 1012 A CA -0.605 51.564 52.037 0.221 0.000 0.771 1012 A CB 0.503 19.716 19.000 0.355 0.000 1.287 1012 A HN 0.437 nan 8.150 nan 0.000 0.436 1013 I N 2.446 123.212 120.570 0.326 0.000 2.382 1013 I HA 0.001 4.171 4.170 0.000 0.000 0.297 1013 I C 0.897 177.323 176.117 0.515 0.000 1.172 1013 I CA 0.276 61.809 61.300 0.388 0.000 1.825 1013 I CB -0.404 37.852 38.000 0.427 0.000 1.509 1013 I HN 0.848 nan 8.210 nan 0.000 0.842 1014 E N 2.491 122.926 120.200 0.392 0.000 2.209 1014 E HA -0.127 4.224 4.350 0.000 0.000 0.196 1014 E C 0.568 177.405 176.600 0.396 0.000 0.993 1014 E CA 0.780 57.376 56.400 0.327 0.000 0.819 1014 E CB 0.068 29.817 29.700 0.082 0.000 0.745 1014 E HN 0.728 nan 8.360 nan 0.000 0.477 1015 S N -1.587 114.312 115.700 0.333 0.000 2.633 1015 S HA 0.084 4.554 4.470 0.000 0.000 0.271 1015 S C 0.083 174.842 174.600 0.265 0.000 1.112 1015 S CA -0.871 57.492 58.200 0.271 0.000 0.828 1015 S CB 1.317 64.596 63.200 0.132 0.000 1.086 1015 S HN 0.064 nan 8.310 nan 0.000 0.461 1016 E N 0.387 120.734 120.200 0.244 0.000 2.274 1016 E HA -0.114 4.237 4.350 0.000 0.000 0.194 1016 E C 1.555 178.201 176.600 0.077 0.000 0.996 1016 E CA 1.184 57.646 56.400 0.103 0.000 0.840 1016 E CB -0.041 29.660 29.700 0.002 0.000 0.772 1016 E HN 0.704 nan 8.360 nan 0.000 0.491 1017 E N 0.259 120.509 120.200 0.083 0.000 2.046 1017 E HA -0.195 4.155 4.350 0.000 0.000 0.190 1017 E C 2.192 178.823 176.600 0.052 0.000 0.982 1017 E CA 0.783 57.216 56.400 0.055 0.000 0.800 1017 E CB -0.098 29.629 29.700 0.045 0.000 0.756 1017 E HN 0.267 nan 8.360 nan 0.000 0.449 1018 L N 0.855 122.112 121.223 0.057 0.000 2.043 1018 L HA -0.189 4.151 4.340 0.000 0.000 0.212 1018 L C 2.119 179.027 176.870 0.063 0.000 1.075 1018 L CA 1.484 56.335 54.840 0.018 0.000 0.752 1018 L CB -0.559 41.504 42.059 0.006 0.000 0.891 1018 L HN 0.213 nan 8.230 nan 0.000 0.432 1019 L N -0.820 120.483 121.223 0.132 0.000 1.994 1019 L HA -0.212 4.129 4.340 0.000 0.000 0.208 1019 L C 2.464 179.366 176.870 0.053 0.000 1.071 1019 L CA 1.868 56.828 54.840 0.199 0.000 0.745 1019 L CB -0.900 41.261 42.059 0.171 0.000 0.892 1019 L HN 0.255 nan 8.230 nan 0.000 0.431 1020 L N -0.859 120.401 121.223 0.061 0.000 2.083 1020 L HA -0.256 4.084 4.340 0.000 0.000 0.209 1020 L C 2.580 179.503 176.870 0.089 0.000 1.083 1020 L CA 1.298 56.231 54.840 0.155 0.000 0.752 1020 L CB -0.566 41.576 42.059 0.138 0.000 0.899 1020 L HN 0.318 nan 8.230 nan 0.000 0.433 1021 K N 0.125 120.548 120.400 0.038 0.000 2.057 1021 K HA -0.139 4.181 4.320 0.000 0.000 0.207 1021 K C 1.953 178.522 176.600 -0.052 0.000 1.049 1021 K CA 1.272 57.556 56.287 -0.005 0.000 0.931 1021 K CB 0.117 32.610 32.500 -0.011 0.000 0.714 1021 K HN 0.093 nan 8.250 nan 0.000 0.440 1022 V N 0.355 120.266 119.914 -0.005 0.000 2.488 1022 V HA -0.087 4.033 4.120 0.000 0.000 0.246 1022 V C 2.366 178.448 176.094 -0.021 0.000 1.046 1022 V CA 1.895 64.219 62.300 0.039 0.000 1.053 1022 V CB -0.584 31.346 31.823 0.179 0.000 0.679 1022 V HN 0.569 nan 8.190 nan 0.000 0.458 1023 G N -0.370 108.327 108.800 -0.173 0.000 2.442 1023 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 1023 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 1023 G C 1.500 175.674 174.900 -1.211 0.000 1.141 1023 G CA 1.033 45.732 45.100 -0.668 0.000 0.763 1023 G HN 0.579 nan 8.290 nan 0.000 0.554 1024 E N 0.175 119.736 120.200 -1.065 0.000 2.051 1024 E HA -0.199 4.151 4.350 0.000 0.000 0.192 1024 E C 2.301 178.632 176.600 -0.447 0.000 0.991 1024 E CA 1.459 57.375 56.400 -0.806 0.000 0.799 1024 E CB -0.135 29.423 29.700 -0.236 0.000 0.748 1024 E HN 0.401 nan 8.360 nan 0.000 0.449 1025 E N 0.764 120.789 120.200 -0.292 0.000 2.106 1025 E HA -0.142 4.208 4.350 0.000 0.000 0.192 1025 E C 1.930 178.392 176.600 -0.229 0.000 0.984 1025 E CA 1.254 57.539 56.400 -0.191 0.000 0.806 1025 E CB -0.273 29.360 29.700 -0.111 0.000 0.750 1025 E HN 0.428 nan 8.360 nan 0.000 0.458 1026 I N 0.165 120.581 120.570 -0.257 0.000 2.315 1026 I HA -0.218 3.953 4.170 0.000 0.000 0.248 1026 I C 2.232 178.080 176.117 -0.448 0.000 1.117 1026 I CA 1.066 62.182 61.300 -0.305 0.000 1.404 1026 I CB -0.241 37.697 38.000 -0.104 0.000 1.071 1026 I HN 0.082 nan 8.210 nan 0.000 0.419 1027 K N 1.560 121.715 120.400 -0.409 0.000 2.057 1027 K HA -0.192 4.129 4.320 0.000 0.000 0.207 1027 K C 2.199 178.649 176.600 -0.250 0.000 1.049 1027 K CA 1.477 57.580 56.287 -0.305 0.000 0.931 1027 K CB -0.300 32.031 32.500 -0.282 0.000 0.714 1027 K HN 0.065 nan 8.250 nan 0.000 0.440 1028 R N 0.097 120.455 120.500 -0.236 0.000 2.091 1028 R HA -0.074 4.266 4.340 0.000 0.000 0.238 1028 R C 2.150 178.329 176.300 -0.202 0.000 1.136 1028 R CA 1.712 57.708 56.100 -0.174 0.000 0.959 1028 R CB -0.309 29.907 30.300 -0.139 0.000 0.856 1028 R HN 0.242 nan 8.270 nan 0.000 0.437 1029 L N 0.536 121.604 121.223 -0.258 0.000 2.141 1029 L HA -0.118 4.222 4.340 0.000 0.000 0.209 1029 L C 2.615 179.329 176.870 -0.260 0.000 1.094 1029 L CA 1.394 56.118 54.840 -0.194 0.000 0.763 1029 L CB -0.521 41.480 42.059 -0.097 0.000 0.908 1029 L HN 0.362 nan 8.230 nan 0.000 0.437 1030 S N -0.836 114.517 115.700 -0.577 0.000 2.419 1030 S HA -0.150 4.320 4.470 0.000 0.000 0.233 1030 S C 1.761 176.358 174.600 -0.005 0.000 1.016 1030 S CA 0.808 58.843 58.200 -0.274 0.000 0.974 1030 S CB -0.199 62.858 63.200 -0.239 0.000 0.786 1030 S HN 0.373 nan 8.310 nan 0.000 0.492 1031 E N 1.558 121.706 120.200 -0.087 0.000 2.158 1031 E HA 0.022 4.372 4.350 0.000 0.000 0.191 1031 E C 1.957 178.510 176.600 -0.079 0.000 0.982 1031 E CA 0.803 57.171 56.400 -0.053 0.000 0.823 1031 E CB -0.235 29.424 29.700 -0.069 0.000 0.766 1031 E HN 0.726 nan 8.360 nan 0.000 0.468 1032 K N -0.021 120.272 120.400 -0.178 0.000 2.005 1032 K HA -0.012 4.308 4.320 0.000 0.000 0.206 1032 K C 0.343 176.753 176.600 -0.318 0.000 1.044 1032 K CA 0.522 56.599 56.287 -0.350 0.000 0.942 1032 K CB -0.010 32.091 32.500 -0.665 0.000 0.727 1032 K HN -0.047 nan 8.250 nan 0.000 0.439 1033 F N 2.380 122.418 119.950 0.147 0.000 2.626 1033 F HA 0.207 4.734 4.527 0.000 0.000 0.353 1033 F C 0.923 176.857 175.800 0.223 0.000 1.230 1033 F CA -0.348 57.775 58.000 0.206 0.000 1.298 1033 F CB 0.609 39.800 39.000 0.318 0.000 1.670 1033 F HN -0.050 nan 8.300 nan 0.000 0.633 1034 K N 0.964 121.506 120.400 0.237 0.000 2.442 1034 K HA -0.136 4.184 4.320 0.000 0.000 0.198 1034 K C 1.827 178.538 176.600 0.186 0.000 1.042 1034 K CA 0.855 57.255 56.287 0.188 0.000 0.958 1034 K CB 0.051 32.615 32.500 0.106 0.000 0.766 1034 K HN 0.515 nan 8.250 nan 0.000 0.474 1035 E N 0.641 120.961 120.200 0.200 0.000 2.489 1035 E HA -0.007 4.343 4.350 0.000 0.000 0.193 1035 E C -0.097 176.599 176.600 0.160 0.000 1.057 1035 E CA 0.194 56.687 56.400 0.155 0.000 0.866 1035 E CB 0.221 29.998 29.700 0.129 0.000 0.916 1035 E HN -0.101 nan 8.360 nan 0.000 0.500 1036 V N 1.437 121.466 119.914 0.191 0.000 2.581 1036 V HA 0.239 4.359 4.120 0.000 0.000 0.303 1036 V C -0.232 175.900 176.094 0.064 0.000 1.041 1036 V CA -0.874 61.471 62.300 0.074 0.000 0.907 1036 V CB 1.850 33.605 31.823 -0.113 0.000 0.994 1036 V HN 0.161 nan 8.190 nan 0.000 0.442 1037 E N 3.271 123.448 120.200 -0.038 0.000 2.081 1037 E HA 0.417 4.767 4.350 0.000 0.000 0.276 1037 E C -1.523 175.030 176.600 -0.079 0.000 0.950 1037 E CA -0.444 55.972 56.400 0.026 0.000 0.776 1037 E CB 0.690 30.404 29.700 0.024 0.000 1.094 1037 E HN 0.497 nan 8.360 nan 0.000 0.402 1038 F N 2.917 122.896 119.950 0.047 0.000 2.385 1038 F HA 0.356 4.883 4.527 0.000 0.000 0.336 1038 F C -0.016 175.795 175.800 0.019 0.000 1.100 1038 F CA -0.564 57.452 58.000 0.027 0.000 1.116 1038 F CB 1.555 40.587 39.000 0.053 0.000 1.166 1038 F HN 0.137 nan 8.300 nan 0.000 0.511 1039 V N 4.070 124.081 119.914 0.162 0.000 2.525 1039 V HA 0.225 4.345 4.120 0.000 0.000 0.299 1039 V C -0.851 175.306 176.094 0.105 0.000 1.034 1039 V CA -1.023 61.338 62.300 0.102 0.000 0.863 1039 V CB 1.652 33.467 31.823 -0.012 0.000 0.999 1039 V HN 0.544 nan 8.190 nan 0.000 0.423 1040 F N 5.791 125.750 119.950 0.015 0.000 2.438 1040 F HA 0.528 5.055 4.527 0.000 0.000 0.356 1040 F C 0.271 176.050 175.800 -0.035 0.000 1.099 1040 F CA 0.231 58.223 58.000 -0.014 0.000 1.185 1040 F CB 0.533 39.536 39.000 0.006 0.000 1.115 1040 F HN 0.397 nan 8.300 nan 0.000 0.526 1041 K N 4.544 124.556 120.400 -0.646 0.000 2.259 1041 K HA 0.615 4.935 4.320 0.000 0.000 0.252 1041 K C -1.617 174.674 176.600 -0.515 0.000 0.936 1041 K CA -0.484 55.543 56.287 -0.433 0.000 0.810 1041 K CB 1.813 34.057 32.500 -0.427 0.000 1.143 1041 K HN 0.673 nan 8.250 nan 0.000 0.427 1042 S N 1.254 116.857 115.700 -0.162 0.000 2.596 1042 S HA 0.211 4.681 4.470 0.000 0.000 0.305 1042 S C -1.718 172.919 174.600 0.061 0.000 1.086 1042 S CA -0.548 57.627 58.200 -0.041 0.000 0.909 1042 S CB 0.773 64.013 63.200 0.068 0.000 1.106 1042 S HN 0.519 nan 8.310 nan 0.000 0.450 1043 S N 3.938 119.657 115.700 0.031 0.000 2.499 1043 S HA 0.297 4.767 4.470 0.000 0.000 0.275 1043 S C 1.010 175.617 174.600 0.013 0.000 1.257 1043 S CA -0.497 57.671 58.200 -0.054 0.000 1.050 1043 S CB 0.026 63.174 63.200 -0.086 0.000 0.937 1043 S HN 0.692 nan 8.310 nan 0.000 0.490 1044 F N 0.646 120.685 119.950 0.149 0.000 2.661 1044 F HA 0.389 4.916 4.527 0.000 0.000 0.298 1044 F C 0.427 176.292 175.800 0.107 0.000 1.137 1044 F CA -0.356 57.740 58.000 0.160 0.000 1.454 1044 F CB -0.156 38.932 39.000 0.147 0.000 1.103 1044 F HN 0.457 nan 8.300 nan 0.000 0.577 1045 D N 0.066 120.292 120.400 -0.290 0.000 2.878 1045 D HA 0.213 4.853 4.640 0.000 0.000 0.211 1045 D C -1.555 174.555 176.300 -0.317 0.000 1.271 1045 D CA -0.647 53.221 54.000 -0.219 0.000 0.845 1045 D CB 1.223 41.981 40.800 -0.071 0.000 1.679 1045 D HN -0.162 nan 8.370 nan 0.000 0.536 1046 K N 2.933 123.168 120.400 -0.275 0.000 2.244 1046 K HA 0.550 4.871 4.320 0.000 0.000 0.263 1046 K C 0.303 176.730 176.600 -0.289 0.000 1.103 1046 K CA -0.379 55.770 56.287 -0.230 0.000 0.966 1046 K CB 1.009 33.434 32.500 -0.125 0.000 1.429 1046 K HN 0.452 nan 8.250 nan 0.000 0.434 1047 A N 2.693 125.226 122.820 -0.478 0.000 2.238 1047 A HA -0.060 4.260 4.320 0.000 0.000 0.208 1047 A C 0.952 178.434 177.584 -0.170 0.000 1.177 1047 A CA 0.472 52.270 52.037 -0.399 0.000 0.804 1047 A CB -0.577 17.999 19.000 -0.706 0.000 0.823 1047 A HN 0.816 nan 8.150 nan 0.000 0.482 1048 N N -1.441 117.203 118.700 -0.093 0.000 2.365 1048 N HA 0.121 4.861 4.740 0.000 0.000 0.257 1048 N C -0.292 175.251 175.510 0.056 0.000 1.287 1048 N CA -0.756 52.319 53.050 0.043 0.000 0.882 1048 N CB 0.474 39.076 38.487 0.192 0.000 1.250 1048 N HN -0.070 nan 8.380 nan 0.000 0.507 1049 R N 0.689 121.188 120.500 -0.002 0.000 2.758 1049 R HA 0.055 4.395 4.340 0.000 0.000 0.263 1049 R C 0.934 177.250 176.300 0.026 0.000 1.010 1049 R CA 0.128 56.237 56.100 0.015 0.000 1.114 1049 R CB 0.443 30.740 30.300 -0.005 0.000 0.985 1049 R HN 0.204 nan 8.270 nan 0.000 0.439 1050 S N 0.376 116.097 115.700 0.037 0.000 2.355 1050 S HA -0.088 4.382 4.470 0.000 0.000 0.222 1050 S C 1.025 175.621 174.600 -0.006 0.000 1.031 1050 S CA 0.991 59.206 58.200 0.025 0.000 0.993 1050 S CB 0.039 63.260 63.200 0.035 0.000 0.859 1050 S HN 0.647 nan 8.310 nan 0.000 0.453 1051 S N 0.185 115.882 115.700 -0.004 0.000 2.541 1051 S HA 0.364 4.834 4.470 0.000 0.000 0.283 1051 S C 0.702 175.258 174.600 -0.072 0.000 1.196 1051 S CA -0.682 57.496 58.200 -0.036 0.000 1.062 1051 S CB 0.931 64.141 63.200 0.016 0.000 1.009 1051 S HN 0.181 nan 8.310 nan 0.000 0.502 1052 I N 4.108 124.569 120.570 -0.181 0.000 2.756 1052 I HA 0.006 4.176 4.170 0.000 0.000 0.262 1052 I C 1.352 177.381 176.117 -0.147 0.000 1.225 1052 I CA 1.680 62.861 61.300 -0.198 0.000 1.472 1052 I CB -0.366 37.464 38.000 -0.284 0.000 1.094 1052 I HN 0.852 nan 8.210 nan 0.000 0.454 1053 H N -1.280 117.794 119.070 0.008 0.000 2.539 1053 H HA 0.276 4.832 4.556 0.000 0.000 0.267 1053 H C 1.035 176.383 175.328 0.033 0.000 0.982 1053 H CA -0.106 55.952 56.048 0.017 0.000 1.146 1053 H CB 0.136 29.908 29.762 0.018 0.000 1.382 1053 H HN 0.187 nan 8.280 nan 0.000 0.577 1054 S N 0.599 116.372 115.700 0.122 0.000 2.617 1054 S HA 0.065 4.535 4.470 0.000 0.000 0.269 1054 S C -0.242 174.429 174.600 0.118 0.000 1.292 1054 S CA -0.774 57.497 58.200 0.118 0.000 1.010 1054 S CB 0.705 63.956 63.200 0.085 0.000 0.944 1054 S HN 0.211 nan 8.310 nan 0.000 0.536 1055 F N 1.934 121.884 119.950 0.000 0.000 2.578 1055 F HA 0.146 4.673 4.527 0.000 0.000 0.376 1055 F C 1.313 177.088 175.800 -0.042 0.000 1.085 1055 F CA 0.354 58.338 58.000 -0.026 0.000 1.260 1055 F CB 0.387 39.373 39.000 -0.024 0.000 1.095 1055 F HN 0.564 nan 8.300 nan 0.000 0.573 1056 R N 2.980 122.980 120.500 -0.834 0.000 2.167 1056 R HA 0.468 4.808 4.340 0.000 0.000 0.195 1056 R C 0.532 176.279 176.300 -0.921 0.000 1.027 1056 R CA 0.188 55.897 56.100 -0.651 0.000 1.114 1056 R CB 0.306 30.387 30.300 -0.365 0.000 1.075 1056 R HN 0.892 nan 8.270 nan 0.000 0.538 1057 G N -0.751 107.250 108.800 -1.331 0.000 2.362 1057 G HA2 -0.047 3.914 3.960 0.000 0.000 0.288 1057 G HA3 -0.047 3.914 3.960 0.000 0.000 0.288 1057 G C -1.206 173.310 174.900 -0.639 0.000 1.305 1057 G CA -0.842 43.717 45.100 -0.901 0.000 0.910 1057 G HN 0.325 nan 8.290 nan 0.000 0.518 1058 H N 0.121 119.202 119.070 0.019 0.000 2.528 1058 H HA 0.521 5.077 4.556 0.000 0.000 0.282 1058 H C 1.074 176.460 175.328 0.097 0.000 1.097 1058 H CA 0.863 56.901 56.048 -0.016 0.000 1.121 1058 H CB 0.689 30.278 29.762 -0.288 0.000 1.590 1058 H HN 1.724 nan 8.280 nan 0.000 0.553 1059 G N 0.357 109.288 108.800 0.219 0.000 2.690 1059 G HA2 -0.222 3.738 3.960 0.000 0.000 0.686 1059 G HA3 -0.222 3.738 3.960 0.000 0.000 0.686 1059 G C 0.305 175.362 174.900 0.260 0.000 1.277 1059 G CA -0.293 44.951 45.100 0.240 0.000 0.799 1059 G HN 0.201 nan 8.290 nan 0.000 0.613 1060 L N 0.910 122.186 121.223 0.089 0.000 1.970 1060 L HA -0.024 4.316 4.340 0.000 0.000 0.212 1060 L C 2.461 179.255 176.870 -0.125 0.000 1.071 1060 L CA 3.310 57.945 54.840 -0.341 0.000 0.751 1060 L CB -1.126 40.687 42.059 -0.410 0.000 0.889 1060 L HN 1.025 nan 8.230 nan 0.000 0.432 1061 E N -1.158 119.050 120.200 0.014 0.000 2.048 1061 E HA -0.353 3.997 4.350 0.000 0.000 0.202 1061 E C 2.249 178.901 176.600 0.087 0.000 1.021 1061 E CA 2.296 58.726 56.400 0.049 0.000 0.825 1061 E CB -0.507 29.246 29.700 0.088 0.000 0.756 1061 E HN 0.561 nan 8.360 nan 0.000 0.454 1062 Y N 0.317 120.655 120.300 0.062 0.000 2.145 1062 Y HA -0.138 4.412 4.550 0.000 0.000 0.286 1062 Y C 2.090 178.058 175.900 0.113 0.000 1.145 1062 Y CA 2.077 60.231 58.100 0.090 0.000 1.148 1062 Y CB -0.734 37.809 38.460 0.138 0.000 0.981 1062 Y HN 0.136 nan 8.280 nan 0.000 0.507 1063 G N -0.457 108.506 108.800 0.271 0.000 2.459 1063 G HA2 -0.265 3.696 3.960 0.000 0.000 0.217 1063 G HA3 -0.265 3.696 3.960 0.000 0.000 0.217 1063 G C 1.715 176.674 174.900 0.098 0.000 1.183 1063 G CA 1.566 46.821 45.100 0.258 0.000 0.776 1063 G HN 0.357 nan 8.290 nan 0.000 0.552 1064 V N 1.065 120.990 119.914 0.019 0.000 2.332 1064 V HA -0.202 3.918 4.120 0.000 0.000 0.248 1064 V C 2.684 178.757 176.094 -0.035 0.000 1.055 1064 V CA 2.374 64.667 62.300 -0.011 0.000 1.038 1064 V CB -0.468 31.316 31.823 -0.065 0.000 0.651 1064 V HN 0.486 nan 8.190 nan 0.000 0.450 1065 K N 0.284 120.635 120.400 -0.083 0.000 2.097 1065 K HA -0.177 4.143 4.320 0.000 0.000 0.206 1065 K C 2.156 178.659 176.600 -0.162 0.000 1.049 1065 K CA 1.580 57.793 56.287 -0.123 0.000 0.933 1065 K CB -0.309 32.098 32.500 -0.155 0.000 0.717 1065 K HN 0.430 nan 8.250 nan 0.000 0.442 1066 A N 1.209 123.895 122.820 -0.224 0.000 1.898 1066 A HA -0.082 4.238 4.320 0.000 0.000 0.216 1066 A C 2.102 179.648 177.584 -0.063 0.000 1.181 1066 A CA 1.130 53.056 52.037 -0.184 0.000 0.620 1066 A CB -0.520 18.367 19.000 -0.188 0.000 0.819 1066 A HN 0.309 nan 8.150 nan 0.000 0.442 1067 L N -1.096 120.131 121.223 0.006 0.000 2.046 1067 L HA -0.159 4.182 4.340 0.000 0.000 0.208 1067 L C 2.773 179.639 176.870 -0.007 0.000 1.077 1067 L CA 1.715 56.585 54.840 0.050 0.000 0.747 1067 L CB -0.455 41.680 42.059 0.127 0.000 0.896 1067 L HN 0.447 nan 8.230 nan 0.000 0.432 1068 R N 0.593 121.080 120.500 -0.022 0.000 2.127 1068 R HA -0.238 4.102 4.340 0.000 0.000 0.238 1068 R C 2.302 178.561 176.300 -0.068 0.000 1.134 1068 R CA 1.575 57.654 56.100 -0.036 0.000 0.975 1068 R CB -0.006 30.271 30.300 -0.039 0.000 0.865 1068 R HN 0.053 nan 8.270 nan 0.000 0.447 1069 K N 0.135 120.480 120.400 -0.092 0.000 2.026 1069 K HA -0.072 4.248 4.320 0.000 0.000 0.208 1069 K C 1.787 178.294 176.600 -0.155 0.000 1.048 1069 K CA 1.668 57.880 56.287 -0.125 0.000 0.929 1069 K CB -0.409 32.015 32.500 -0.126 0.000 0.713 1069 K HN 0.056 nan 8.250 nan 0.000 0.439 1070 V N 1.517 121.350 119.914 -0.135 0.000 2.287 1070 V HA -0.273 3.847 4.120 0.000 0.000 0.248 1070 V C 2.500 178.558 176.094 -0.060 0.000 1.053 1070 V CA 2.313 64.537 62.300 -0.126 0.000 1.027 1070 V CB -0.564 31.025 31.823 -0.391 0.000 0.646 1070 V HN 0.485 nan 8.190 nan 0.000 0.447 1071 K N 0.053 120.419 120.400 -0.057 0.000 2.097 1071 K HA -0.261 4.059 4.320 0.000 0.000 0.206 1071 K C 2.203 178.776 176.600 -0.045 0.000 1.049 1071 K CA 2.090 58.369 56.287 -0.013 0.000 0.933 1071 K CB -0.151 32.352 32.500 0.005 0.000 0.717 1071 K HN 0.593 nan 8.250 nan 0.000 0.442 1072 E N 0.446 120.591 120.200 -0.091 0.000 2.047 1072 E HA -0.219 4.131 4.350 0.000 0.000 0.191 1072 E C 1.922 178.408 176.600 -0.190 0.000 0.987 1072 E CA 1.274 57.605 56.400 -0.115 0.000 0.799 1072 E CB 0.076 29.707 29.700 -0.114 0.000 0.752 1072 E HN 0.399 nan 8.360 nan 0.000 0.449 1073 E N -1.215 118.787 120.200 -0.331 0.000 2.112 1073 E HA -0.111 4.239 4.350 0.000 0.000 0.190 1073 E C 1.012 177.189 176.600 -0.705 0.000 0.979 1073 E CA 0.803 56.841 56.400 -0.602 0.000 0.814 1073 E CB 0.148 29.291 29.700 -0.930 0.000 0.762 1073 E HN 0.261 nan 8.360 nan 0.000 0.460 1074 F N -1.099 118.792 119.950 -0.098 0.000 2.706 1074 F HA 0.356 4.883 4.527 0.000 0.000 0.308 1074 F C 1.257 177.021 175.800 -0.060 0.000 1.095 1074 F CA 0.361 58.307 58.000 -0.088 0.000 1.244 1074 F CB 1.026 39.952 39.000 -0.123 0.000 1.063 1074 F HN 0.056 nan 8.300 nan 0.000 0.582 1075 G N 1.650 110.493 108.800 0.071 0.000 2.249 1075 G HA2 -0.273 3.687 3.960 0.000 0.000 0.273 1075 G HA3 -0.273 3.687 3.960 0.000 0.000 0.273 1075 G C -0.334 174.617 174.900 0.085 0.000 1.036 1075 G CA -0.182 44.952 45.100 0.056 0.000 0.824 1075 G HN 0.144 nan 8.290 nan 0.000 0.504 1076 L N -0.048 121.237 121.223 0.103 0.000 2.325 1076 L HA 0.531 4.871 4.340 0.000 0.000 0.279 1076 L C 0.968 177.905 176.870 0.111 0.000 1.054 1076 L CA -0.792 54.116 54.840 0.113 0.000 0.804 1076 L CB 1.241 43.368 42.059 0.114 0.000 1.200 1076 L HN 0.190 nan 8.230 nan 0.000 0.436 1077 K N 2.908 123.383 120.400 0.124 0.000 2.319 1077 K HA 0.375 4.695 4.320 0.000 0.000 0.265 1077 K C -0.721 175.963 176.600 0.139 0.000 1.000 1077 K CA -0.283 56.070 56.287 0.110 0.000 0.943 1077 K CB 0.741 33.298 32.500 0.095 0.000 0.950 1077 K HN 0.319 nan 8.250 nan 0.000 0.485 1078 I N 1.051 121.693 120.570 0.120 0.000 2.646 1078 I HA 0.259 4.429 4.170 0.000 0.000 0.299 1078 I C 0.026 176.206 176.117 0.105 0.000 1.036 1078 I CA -0.382 61.008 61.300 0.150 0.000 1.074 1078 I CB 1.878 39.964 38.000 0.143 0.000 1.258 1078 I HN 0.580 nan 8.210 nan 0.000 0.430 1079 T N 3.244 117.859 114.554 0.101 0.000 2.933 1079 T HA 0.642 4.992 4.350 0.000 0.000 0.305 1079 T C -1.000 173.742 174.700 0.071 0.000 1.092 1079 T CA -0.214 61.923 62.100 0.062 0.000 1.008 1079 T CB 1.642 70.522 68.868 0.020 0.000 1.102 1079 T HN 0.826 nan 8.240 nan 0.000 0.469 1080 T N 2.399 116.996 114.554 0.072 0.000 2.821 1080 T HA 0.563 4.913 4.350 0.000 0.000 0.306 1080 T C -2.012 172.689 174.700 0.002 0.000 1.313 1080 T CA -0.704 61.436 62.100 0.067 0.000 1.012 1080 T CB 1.491 70.471 68.868 0.186 0.000 1.298 1080 T HN 0.811 nan 8.240 nan 0.000 0.502 1081 D N 2.475 122.804 120.400 -0.119 0.000 2.193 1081 D HA 0.535 5.176 4.640 0.000 0.000 0.249 1081 D C 0.309 176.322 176.300 -0.479 0.000 1.034 1081 D CA -0.682 53.167 54.000 -0.251 0.000 0.902 1081 D CB 0.952 41.600 40.800 -0.253 0.000 1.182 1081 D HN 0.771 nan 8.370 nan 0.000 0.436 1082 I N -2.430 117.866 120.570 -0.456 0.000 2.750 1082 I HA 0.419 4.589 4.170 0.000 0.000 0.308 1082 I C -0.012 175.661 176.117 -0.740 0.000 1.016 1082 I CA -0.864 60.147 61.300 -0.482 0.000 1.098 1082 I CB 2.076 39.954 38.000 -0.202 0.000 1.279 1082 I HN 0.333 nan 8.210 nan 0.000 0.454 1083 H N 1.397 120.425 119.070 -0.070 0.000 3.255 1083 H HA 0.453 5.009 4.556 0.000 0.000 0.256 1083 H C -0.380 174.924 175.328 -0.039 0.000 1.049 1083 H CA -0.004 56.015 56.048 -0.048 0.000 1.202 1083 H CB 1.164 30.907 29.762 -0.032 0.000 1.497 1083 H HN 0.660 nan 8.280 nan 0.000 0.503 1084 E N -0.029 120.134 120.200 -0.062 0.000 2.383 1084 E HA 0.279 4.629 4.350 0.000 0.000 0.275 1084 E C 0.136 176.633 176.600 -0.171 0.000 0.918 1084 E CA -0.412 55.958 56.400 -0.050 0.000 0.764 1084 E CB 2.693 32.449 29.700 0.092 0.000 1.252 1084 E HN -0.164 nan 8.360 nan 0.000 0.449 1085 S N 1.309 117.004 115.700 -0.008 0.000 2.372 1085 S HA -0.178 4.292 4.470 0.000 0.000 0.227 1085 S C 1.581 176.191 174.600 0.016 0.000 1.044 1085 S CA 1.863 60.074 58.200 0.018 0.000 1.050 1085 S CB -0.275 62.982 63.200 0.094 0.000 0.901 1085 S HN 0.729 nan 8.310 nan 0.000 0.447 1086 W N 1.855 123.184 121.300 0.048 0.000 2.387 1086 W HA -0.110 4.551 4.660 0.000 0.000 0.272 1086 W C 1.210 177.750 176.519 0.034 0.000 1.224 1086 W CA 0.805 58.172 57.345 0.037 0.000 1.210 1086 W CB -0.872 28.608 29.460 0.034 0.000 1.125 1086 W HN 0.421 nan 8.180 nan 0.000 0.572 1087 Q N 0.872 120.246 119.800 -0.710 0.000 2.311 1087 Q HA 0.020 4.361 4.340 0.000 0.000 0.203 1087 Q C 2.706 178.558 176.000 -0.246 0.000 0.954 1087 Q CA 1.218 56.618 55.803 -0.671 0.000 0.885 1087 Q CB -0.309 27.948 28.738 -0.802 0.000 0.963 1087 Q HN 0.306 nan 8.270 nan 0.000 0.471 1088 A N 1.813 124.546 122.820 -0.146 0.000 1.873 1088 A HA -0.302 4.018 4.320 0.000 0.000 0.218 1088 A C 1.967 179.537 177.584 -0.024 0.000 1.193 1088 A CA 1.804 53.805 52.037 -0.060 0.000 0.629 1088 A CB -0.558 18.426 19.000 -0.027 0.000 0.826 1088 A HN 0.425 nan 8.150 nan 0.000 0.447 1089 E N -0.482 119.721 120.200 0.006 0.000 2.023 1089 E HA -0.169 4.181 4.350 0.000 0.000 0.196 1089 E C -0.474 176.135 176.600 0.014 0.000 1.003 1089 E CA 1.582 57.998 56.400 0.026 0.000 0.809 1089 E CB -0.622 29.112 29.700 0.057 0.000 0.755 1089 E HN 0.507 nan 8.360 nan 0.000 0.449 1090 P HA -0.111 nan 4.420 nan 0.000 0.218 1090 P C 1.613 178.888 177.300 -0.041 0.000 1.149 1090 P CA 0.998 64.094 63.100 -0.006 0.000 0.817 1090 P CB 0.024 31.729 31.700 0.008 0.000 0.785 1091 V N 0.987 120.863 119.914 -0.065 0.000 2.427 1091 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1091 V C 2.806 178.902 176.094 0.003 0.000 1.051 1091 V CA 1.914 64.191 62.300 -0.038 0.000 1.048 1091 V CB -1.645 30.175 31.823 -0.005 0.000 0.666 1091 V HN 0.091 nan 8.190 nan 0.000 0.456 1092 A N -0.641 122.182 122.820 0.004 0.000 2.131 1092 A HA -0.252 4.069 4.320 0.000 0.000 0.220 1092 A C 2.109 179.704 177.584 0.018 0.000 1.158 1092 A CA 1.704 53.751 52.037 0.017 0.000 0.665 1092 A CB -0.473 18.537 19.000 0.016 0.000 0.795 1092 A HN 0.642 nan 8.150 nan 0.000 0.460 1093 E N -1.328 118.879 120.200 0.011 0.000 2.268 1093 E HA -0.047 4.303 4.350 0.000 0.000 0.195 1093 E C 1.612 178.220 176.600 0.014 0.000 0.995 1093 E CA 1.107 57.513 56.400 0.011 0.000 0.836 1093 E CB 0.091 29.794 29.700 0.005 0.000 0.763 1093 E HN 0.450 nan 8.360 nan 0.000 0.491 1094 V N -0.544 119.382 119.914 0.020 0.000 3.371 1094 V HA 0.328 4.448 4.120 0.000 0.000 0.246 1094 V C 0.079 176.202 176.094 0.048 0.000 1.303 1094 V CA 0.374 62.691 62.300 0.029 0.000 1.156 1094 V CB 0.878 32.717 31.823 0.027 0.000 0.929 1094 V HN 0.092 nan 8.190 nan 0.000 0.459 1095 A N 0.688 123.540 122.820 0.054 0.000 2.409 1095 A HA 0.288 4.608 4.320 0.000 0.000 0.267 1095 A C 0.779 178.396 177.584 0.055 0.000 1.127 1095 A CA 0.256 52.331 52.037 0.065 0.000 0.795 1095 A CB -0.012 19.030 19.000 0.070 0.000 1.061 1095 A HN 0.538 nan 8.150 nan 0.000 0.502 1096 D N 1.596 122.032 120.400 0.060 0.000 2.249 1096 D HA 0.063 4.704 4.640 0.000 0.000 0.205 1096 D C 0.154 176.490 176.300 0.060 0.000 0.962 1096 D CA 1.365 55.400 54.000 0.058 0.000 0.860 1096 D CB 0.285 41.122 40.800 0.061 0.000 0.955 1096 D HN 0.560 nan 8.370 nan 0.000 0.505 1097 I N 1.589 122.190 120.570 0.051 0.000 2.478 1097 I HA 0.270 4.440 4.170 0.000 0.000 0.287 1097 I C -0.448 175.692 176.117 0.039 0.000 1.042 1097 I CA -0.607 60.720 61.300 0.046 0.000 1.067 1097 I CB 2.721 40.719 38.000 -0.002 0.000 1.233 1097 I HN -0.312 nan 8.210 nan 0.000 0.431 1098 I N 5.707 126.301 120.570 0.040 0.000 2.331 1098 I HA 0.233 4.403 4.170 0.000 0.000 0.292 1098 I C 0.095 176.214 176.117 0.003 0.000 0.998 1098 I CA -0.303 61.009 61.300 0.021 0.000 1.267 1098 I CB 1.401 39.410 38.000 0.015 0.000 1.386 1098 I HN 0.602 nan 8.210 nan 0.000 0.476 1099 Q N 6.530 126.317 119.800 -0.022 0.000 2.241 1099 Q HA 0.431 4.771 4.340 0.000 0.000 0.254 1099 Q C -1.212 174.734 176.000 -0.091 0.000 0.917 1099 Q CA -0.717 55.056 55.803 -0.049 0.000 0.919 1099 Q CB 1.499 30.212 28.738 -0.040 0.000 1.237 1099 Q HN 0.472 nan 8.270 nan 0.000 0.434 1100 I N 6.088 126.606 120.570 -0.086 0.000 2.339 1100 I HA 0.364 4.535 4.170 0.000 0.000 0.290 1100 I C -2.208 173.844 176.117 -0.109 0.000 0.994 1100 I CA -2.731 58.517 61.300 -0.088 0.000 1.191 1100 I CB 0.860 38.831 38.000 -0.048 0.000 1.343 1100 I HN 0.559 nan 8.210 nan 0.000 0.458 1101 P HA 0.078 nan 4.420 nan 0.000 0.268 1101 P C 0.657 177.885 177.300 -0.120 0.000 1.208 1101 P CA 0.078 63.107 63.100 -0.118 0.000 0.777 1101 P CB 0.892 32.573 31.700 -0.031 0.000 0.875 1102 A N 2.367 125.044 122.820 -0.237 0.000 1.892 1102 A HA -0.228 4.092 4.320 0.000 0.000 0.218 1102 A C 1.692 179.263 177.584 -0.021 0.000 1.188 1102 A CA 1.825 53.716 52.037 -0.244 0.000 0.631 1102 A CB -1.656 17.101 19.000 -0.405 0.000 0.822 1102 A HN 0.508 nan 8.150 nan 0.000 0.447 1103 F N -0.289 119.698 119.950 0.061 0.000 2.365 1103 F HA 0.011 4.538 4.527 0.000 0.000 0.300 1103 F C 1.667 177.585 175.800 0.197 0.000 1.090 1103 F CA 0.478 58.600 58.000 0.202 0.000 1.408 1103 F CB -0.569 38.507 39.000 0.128 0.000 1.060 1103 F HN 0.100 nan 8.300 nan 0.000 0.534 1104 L N -0.397 120.991 121.223 0.274 0.000 2.667 1104 L HA 0.071 4.411 4.340 0.000 0.000 0.232 1104 L C 1.965 178.911 176.870 0.127 0.000 1.138 1104 L CA -0.047 54.898 54.840 0.176 0.000 0.921 1104 L CB -0.777 41.352 42.059 0.117 0.000 1.180 1104 L HN 0.254 nan 8.230 nan 0.000 0.487 1105 C N -1.312 118.069 119.300 0.134 0.000 2.443 1105 C HA -0.031 4.429 4.460 0.000 0.000 0.290 1105 C C 2.162 177.207 174.990 0.093 0.000 1.476 1105 C CA 0.052 59.113 59.018 0.071 0.000 1.772 1105 C CB -0.998 26.741 27.740 -0.001 0.000 1.714 1105 C HN 0.484 nan 8.230 nan 0.000 0.562 1106 R N -0.315 120.270 120.500 0.142 0.000 2.437 1106 R HA 0.145 4.485 4.340 0.000 0.000 0.257 1106 R C 0.060 176.390 176.300 0.050 0.000 0.927 1106 R CA -0.061 56.096 56.100 0.095 0.000 1.078 1106 R CB 0.014 30.387 30.300 0.122 0.000 1.161 1106 R HN 0.536 nan 8.270 nan 0.000 0.529 1107 Q N 1.329 121.162 119.800 0.055 0.000 2.381 1107 Q HA 0.062 4.402 4.340 0.000 0.000 0.243 1107 Q C 0.795 176.810 176.000 0.025 0.000 1.154 1107 Q CA 0.331 56.156 55.803 0.037 0.000 0.899 1107 Q CB 0.920 29.686 28.738 0.048 0.000 1.396 1107 Q HN 0.067 nan 8.270 nan 0.000 0.485 1108 T N 1.545 116.105 114.554 0.010 0.000 2.624 1108 T HA -0.194 4.156 4.350 0.000 0.000 0.268 1108 T C 0.925 175.636 174.700 0.019 0.000 1.041 1108 T CA 1.801 63.902 62.100 0.002 0.000 1.159 1108 T CB 0.068 68.923 68.868 -0.021 0.000 0.863 1108 T HN 0.483 nan 8.240 nan 0.000 0.434 1109 D N 0.608 121.024 120.400 0.027 0.000 2.144 1109 D HA -0.028 4.612 4.640 0.000 0.000 0.199 1109 D C 2.039 178.362 176.300 0.039 0.000 0.984 1109 D CA 0.530 54.554 54.000 0.040 0.000 0.834 1109 D CB -0.430 40.398 40.800 0.047 0.000 0.955 1109 D HN 0.193 nan 8.370 nan 0.000 0.465 1110 L N 0.584 121.826 121.223 0.031 0.000 2.027 1110 L HA -0.091 4.249 4.340 0.000 0.000 0.206 1110 L C 2.272 179.151 176.870 0.014 0.000 1.074 1110 L CA 1.274 56.124 54.840 0.016 0.000 0.745 1110 L CB -0.469 41.598 42.059 0.012 0.000 0.898 1110 L HN -0.006 nan 8.230 nan 0.000 0.433 1111 L N -1.508 119.728 121.223 0.020 0.000 2.042 1111 L HA -0.245 4.095 4.340 0.000 0.000 0.210 1111 L C 2.438 179.332 176.870 0.040 0.000 1.076 1111 L CA 0.754 55.609 54.840 0.025 0.000 0.749 1111 L CB -0.669 41.405 42.059 0.024 0.000 0.893 1111 L HN 0.289 nan 8.230 nan 0.000 0.432 1112 L N -0.111 121.143 121.223 0.051 0.000 2.093 1112 L HA -0.117 4.223 4.340 0.000 0.000 0.208 1112 L C 2.761 179.665 176.870 0.057 0.000 1.085 1112 L CA 1.953 56.837 54.840 0.074 0.000 0.755 1112 L CB -1.234 40.879 42.059 0.090 0.000 0.904 1112 L HN 0.161 nan 8.230 nan 0.000 0.435 1113 A N -0.830 122.016 122.820 0.043 0.000 1.902 1113 A HA -0.153 4.167 4.320 0.000 0.000 0.217 1113 A C 2.479 180.077 177.584 0.024 0.000 1.181 1113 A CA 1.843 53.901 52.037 0.034 0.000 0.623 1113 A CB -0.854 18.161 19.000 0.025 0.000 0.818 1113 A HN 0.403 nan 8.150 nan 0.000 0.443 1114 A N -0.152 122.679 122.820 0.017 0.000 1.873 1114 A HA 0.189 4.509 4.320 0.000 0.000 0.215 1114 A C 2.539 180.139 177.584 0.028 0.000 1.186 1114 A CA 2.088 54.134 52.037 0.015 0.000 0.616 1114 A CB -1.136 17.869 19.000 0.009 0.000 0.823 1114 A HN 1.099 nan 8.150 nan 0.000 0.442 1115 A N 1.026 123.868 122.820 0.036 0.000 1.908 1115 A HA -0.217 4.103 4.320 0.000 0.000 0.218 1115 A C 2.063 179.666 177.584 0.032 0.000 1.181 1115 A CA 2.085 54.146 52.037 0.040 0.000 0.627 1115 A CB -0.599 18.433 19.000 0.053 0.000 0.818 1115 A HN 0.729 nan 8.150 nan 0.000 0.445 1116 K N -0.023 120.396 120.400 0.032 0.000 2.439 1116 K HA -0.077 4.243 4.320 0.000 0.000 0.197 1116 K C 1.479 178.092 176.600 0.022 0.000 1.041 1116 K CA 1.591 57.893 56.287 0.024 0.000 0.970 1116 K CB -0.735 31.781 32.500 0.027 0.000 0.773 1116 K HN 0.485 nan 8.250 nan 0.000 0.479 1117 T N -2.802 111.766 114.554 0.024 0.000 2.995 1117 T HA 0.105 4.456 4.350 0.000 0.000 0.269 1117 T C 1.655 176.369 174.700 0.023 0.000 1.091 1117 T CA 0.723 62.837 62.100 0.023 0.000 1.128 1117 T CB -0.303 68.579 68.868 0.023 0.000 0.891 1117 T HN 0.508 nan 8.240 nan 0.000 0.492 1118 G N 1.295 110.109 108.800 0.024 0.000 2.176 1118 G HA2 -0.220 3.740 3.960 0.000 0.000 0.253 1118 G HA3 -0.220 3.740 3.960 0.000 0.000 0.253 1118 G C 0.278 175.198 174.900 0.032 0.000 0.979 1118 G CA -0.104 45.011 45.100 0.024 0.000 0.641 1118 G HN 0.616 nan 8.290 nan 0.000 0.530 1119 R N 0.535 121.057 120.500 0.037 0.000 2.546 1119 R HA 0.755 5.095 4.340 0.000 0.000 0.266 1119 R C 0.856 177.194 176.300 0.063 0.000 1.086 1119 R CA 0.169 56.298 56.100 0.049 0.000 1.160 1119 R CB 0.278 30.605 30.300 0.045 0.000 1.138 1119 R HN 0.661 nan 8.270 nan 0.000 0.567 1120 A N 0.744 123.617 122.820 0.089 0.000 2.366 1120 A HA 0.433 4.753 4.320 0.000 0.000 0.249 1120 A C -0.355 177.306 177.584 0.129 0.000 1.084 1120 A CA -0.359 51.758 52.037 0.134 0.000 0.794 1120 A CB 0.587 19.724 19.000 0.229 0.000 1.034 1120 A HN 0.330 nan 8.150 nan 0.000 0.491 1121 V N 2.139 122.144 119.914 0.153 0.000 2.531 1121 V HA 0.378 4.498 4.120 0.000 0.000 0.301 1121 V C -0.574 175.624 176.094 0.173 0.000 1.034 1121 V CA -0.809 61.562 62.300 0.118 0.000 0.865 1121 V CB 1.788 33.654 31.823 0.071 0.000 0.995 1121 V HN 0.928 nan 8.190 nan 0.000 0.424 1122 N N 3.635 122.399 118.700 0.107 0.000 2.443 1122 N HA 0.513 5.254 4.740 0.000 0.000 0.269 1122 N C -1.187 174.325 175.510 0.003 0.000 0.985 1122 N CA -0.273 52.829 53.050 0.088 0.000 0.921 1122 N CB 1.879 40.362 38.487 -0.006 0.000 1.195 1122 N HN 0.385 nan 8.380 nan 0.000 0.492 1123 V N 4.167 124.082 119.914 0.003 0.000 2.370 1123 V HA 0.363 4.483 4.120 0.000 0.000 0.279 1123 V C 0.215 176.246 176.094 -0.105 0.000 1.029 1123 V CA -0.860 61.412 62.300 -0.046 0.000 0.870 1123 V CB 1.124 32.935 31.823 -0.020 0.000 0.984 1123 V HN 0.477 nan 8.190 nan 0.000 0.451 1124 K N 3.833 124.133 120.400 -0.167 0.000 2.339 1124 K HA 0.188 4.508 4.320 0.000 0.000 0.286 1124 K C 0.088 176.558 176.600 -0.217 0.000 1.050 1124 K CA -0.250 55.891 56.287 -0.244 0.000 0.956 1124 K CB 0.788 33.101 32.500 -0.312 0.000 0.990 1124 K HN 0.626 nan 8.250 nan 0.000 0.475 1125 K N 1.820 122.087 120.400 -0.222 0.000 2.402 1125 K HA 0.068 4.389 4.320 0.000 0.000 0.285 1125 K C 0.313 176.705 176.600 -0.347 0.000 1.054 1125 K CA -0.083 56.060 56.287 -0.240 0.000 1.001 1125 K CB 0.328 32.704 32.500 -0.206 0.000 0.946 1125 K HN 0.697 nan 8.250 nan 0.000 0.473 1126 G N 3.325 111.836 108.800 -0.481 0.000 2.391 1126 G HA2 -0.106 3.854 3.960 0.000 0.000 0.234 1126 G HA3 -0.106 3.854 3.960 0.000 0.000 0.234 1126 G C 0.176 174.609 174.900 -0.779 0.000 1.284 1126 G CA -0.411 44.191 45.100 -0.830 0.000 0.873 1126 G HN 0.813 nan 8.290 nan 0.000 0.549 1127 Q N 0.732 120.231 119.800 -0.501 0.000 2.437 1127 Q HA -0.036 4.305 4.340 0.000 0.000 0.210 1127 Q C 1.625 177.529 176.000 -0.161 0.000 0.972 1127 Q CA 1.306 56.975 55.803 -0.222 0.000 0.903 1127 Q CB -0.180 28.561 28.738 0.006 0.000 0.967 1127 Q HN 0.842 nan 8.270 nan 0.000 0.486 1128 F N -2.930 117.033 119.950 0.022 0.000 2.695 1128 F HA 0.352 4.879 4.527 -0.000 0.000 0.303 1128 F C 0.269 176.044 175.800 -0.040 0.000 1.091 1128 F CA -0.877 57.123 58.000 0.001 0.000 1.300 1128 F CB 0.174 39.184 39.000 0.016 0.000 1.071 1128 F HN -0.112 nan 8.300 nan 0.000 0.578 1129 L N 2.105 123.124 121.223 -0.341 0.000 2.312 1129 L HA 0.727 5.067 4.340 0.000 0.000 0.281 1129 L C 0.217 176.929 176.870 -0.264 0.000 1.070 1129 L CA -1.055 53.662 54.840 -0.205 0.000 0.805 1129 L CB 1.050 42.921 42.059 -0.312 0.000 1.174 1129 L HN 0.205 nan 8.230 nan 0.000 0.434 1130 A N 6.058 128.678 122.820 -0.332 0.000 2.322 1130 A HA 0.538 4.858 4.320 0.000 0.000 0.269 1130 A C -1.807 175.346 177.584 -0.719 0.000 1.094 1130 A CA -1.103 50.520 52.037 -0.690 0.000 0.807 1130 A CB -0.085 18.287 19.000 -1.047 0.000 1.047 1130 A HN 0.755 nan 8.150 nan 0.000 0.487 1131 P HA -0.205 nan 4.420 nan 0.000 0.216 1131 P C 1.035 178.334 177.300 -0.000 0.000 1.157 1131 P CA 2.280 65.199 63.100 -0.302 0.000 0.880 1131 P CB -0.168 31.418 31.700 -0.191 0.000 0.791 1132 W N -0.372 121.065 121.300 0.228 0.000 2.525 1132 W HA -0.007 4.653 4.660 0.001 0.000 0.259 1132 W C 0.928 177.525 176.519 0.130 0.000 1.253 1132 W CA 0.642 58.186 57.345 0.332 0.000 1.262 1132 W CB -1.796 27.803 29.460 0.231 0.000 1.122 1132 W HN -0.100 nan 8.180 nan 0.000 0.607 1133 D N 0.913 121.303 120.400 -0.016 0.000 2.363 1133 D HA -0.100 4.540 4.640 0.000 0.000 0.226 1133 D C 1.998 178.257 176.300 -0.068 0.000 1.020 1133 D CA 1.758 55.746 54.000 -0.020 0.000 0.892 1133 D CB -0.300 40.468 40.800 -0.054 0.000 0.900 1133 D HN 0.398 nan 8.370 nan 0.000 0.531 1134 T N -1.967 112.576 114.554 -0.019 0.000 3.085 1134 T HA -0.032 4.318 4.350 0.000 0.000 0.263 1134 T C 1.733 176.268 174.700 -0.275 0.000 1.127 1134 T CA 0.333 62.422 62.100 -0.018 0.000 1.103 1134 T CB 0.243 69.221 68.868 0.184 0.000 0.921 1134 T HN 0.040 nan 8.240 nan 0.000 0.510 1135 K N 1.406 121.370 120.400 -0.726 0.000 2.063 1135 K HA -0.147 4.173 4.320 0.000 0.000 0.208 1135 K C 1.942 178.187 176.600 -0.593 0.000 1.048 1135 K CA 1.534 56.998 56.287 -1.373 0.000 0.928 1135 K CB -0.183 31.305 32.500 -1.688 0.000 0.713 1135 K HN 0.215 nan 8.250 nan 0.000 0.442 1136 N N 0.368 118.855 118.700 -0.354 0.000 2.309 1136 N HA -0.110 4.630 4.740 0.000 0.000 0.182 1136 N C 1.718 177.142 175.510 -0.143 0.000 1.018 1136 N CA 0.854 53.782 53.050 -0.203 0.000 0.876 1136 N CB -0.112 38.293 38.487 -0.136 0.000 0.972 1136 N HN 0.020 nan 8.380 nan 0.000 0.434 1137 V N 0.546 120.383 119.914 -0.128 0.000 2.295 1137 V HA -0.153 3.968 4.120 0.000 0.000 0.246 1137 V C 2.369 178.434 176.094 -0.048 0.000 1.049 1137 V CA 1.148 63.410 62.300 -0.064 0.000 1.024 1137 V CB -0.472 31.328 31.823 -0.038 0.000 0.648 1137 V HN 0.055 nan 8.190 nan 0.000 0.447 1138 V N -0.142 119.729 119.914 -0.070 0.000 2.427 1138 V HA -0.258 3.862 4.120 0.000 0.000 0.248 1138 V C 2.434 178.516 176.094 -0.019 0.000 1.051 1138 V CA 2.149 64.438 62.300 -0.020 0.000 1.048 1138 V CB -0.551 31.280 31.823 0.014 0.000 0.666 1138 V HN 0.652 nan 8.190 nan 0.000 0.456 1139 E N 0.330 120.491 120.200 -0.065 0.000 2.077 1139 E HA -0.247 4.103 4.350 0.000 0.000 0.193 1139 E C 2.281 178.897 176.600 0.027 0.000 0.989 1139 E CA 1.297 57.681 56.400 -0.026 0.000 0.800 1139 E CB -0.002 29.654 29.700 -0.073 0.000 0.746 1139 E HN 0.580 nan 8.360 nan 0.000 0.452 1140 K N 0.280 120.672 120.400 -0.013 0.000 2.032 1140 K HA -0.151 4.169 4.320 0.000 0.000 0.209 1140 K C 2.340 179.001 176.600 0.102 0.000 1.048 1140 K CA 1.306 57.597 56.287 0.006 0.000 0.927 1140 K CB -0.197 32.285 32.500 -0.031 0.000 0.712 1140 K HN 0.195 nan 8.250 nan 0.000 0.441 1141 L N 1.213 122.475 121.223 0.065 0.000 2.042 1141 L HA -0.234 4.106 4.340 0.000 0.000 0.210 1141 L C 2.372 179.295 176.870 0.087 0.000 1.076 1141 L CA 1.478 56.361 54.840 0.072 0.000 0.749 1141 L CB -0.359 41.728 42.059 0.046 0.000 0.893 1141 L HN 0.179 nan 8.230 nan 0.000 0.432 1142 K N -0.658 119.794 120.400 0.086 0.000 2.057 1142 K HA -0.199 4.122 4.320 0.000 0.000 0.206 1142 K C 2.085 178.749 176.600 0.106 0.000 1.050 1142 K CA 1.449 57.781 56.287 0.076 0.000 0.935 1142 K CB -0.290 32.248 32.500 0.064 0.000 0.715 1142 K HN 0.119 nan 8.250 nan 0.000 0.439 1143 F N 1.364 121.310 119.950 -0.007 0.000 2.161 1143 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 1143 F C 1.885 177.685 175.800 -0.000 0.000 1.089 1143 F CA 1.681 59.678 58.000 -0.005 0.000 1.282 1143 F CB -0.289 38.706 39.000 -0.008 0.000 1.010 1143 F HN -0.011 nan 8.300 nan 0.000 0.485 1144 G N -1.207 107.732 108.800 0.232 0.000 2.920 1144 G HA2 0.280 4.240 3.960 0.000 0.000 0.208 1144 G HA3 0.280 4.240 3.960 0.000 0.000 0.208 1144 G C 1.266 176.183 174.900 0.029 0.000 1.159 1144 G CA 0.367 45.543 45.100 0.126 0.000 0.784 1144 G HN 0.967 nan 8.290 nan 0.000 0.535 1145 G N -1.499 107.304 108.800 0.005 0.000 2.176 1145 G HA2 0.121 4.081 3.960 0.000 0.000 0.232 1145 G HA3 0.121 4.081 3.960 0.000 0.000 0.232 1145 G C 0.504 175.410 174.900 0.011 0.000 0.986 1145 G CA 0.098 45.193 45.100 -0.008 0.000 0.643 1145 G HN 1.310 nan 8.290 nan 0.000 0.522 1146 A N -0.025 122.811 122.820 0.027 0.000 2.454 1146 A HA 0.688 5.009 4.320 0.000 0.000 0.260 1146 A C 1.071 178.664 177.584 0.016 0.000 1.106 1146 A CA 1.155 53.209 52.037 0.027 0.000 0.780 1146 A CB 0.364 19.385 19.000 0.036 0.000 1.044 1146 A HN 0.403 nan 8.150 nan 0.000 0.498 1147 K N 0.634 121.040 120.400 0.010 0.000 2.370 1147 K HA 0.104 4.424 4.320 0.000 0.000 0.194 1147 K C 0.302 176.889 176.600 -0.021 0.000 1.070 1147 K CA 0.468 56.755 56.287 -0.001 0.000 0.998 1147 K CB 0.611 33.113 32.500 0.003 0.000 0.911 1147 K HN 0.807 nan 8.250 nan 0.000 0.533 1148 E N 1.734 121.923 120.200 -0.019 0.000 2.186 1148 E HA 0.296 4.646 4.350 0.000 0.000 0.255 1148 E C -1.323 175.223 176.600 -0.091 0.000 0.881 1148 E CA -0.310 56.045 56.400 -0.075 0.000 0.752 1148 E CB 0.746 30.447 29.700 0.002 0.000 1.176 1148 E HN 0.043 nan 8.360 nan 0.000 0.421 1149 I N 4.322 124.765 120.570 -0.211 0.000 2.509 1149 I HA 0.389 4.559 4.170 0.000 0.000 0.293 1149 I C -1.138 174.803 176.117 -0.293 0.000 1.020 1149 I CA -0.907 60.314 61.300 -0.132 0.000 1.088 1149 I CB 1.267 39.245 38.000 -0.038 0.000 1.267 1149 I HN 0.489 nan 8.210 nan 0.000 0.430 1150 Y N 5.391 125.696 120.300 0.009 0.000 2.499 1150 Y HA 0.655 5.205 4.550 0.001 0.000 0.347 1150 Y C -0.554 175.339 175.900 -0.012 0.000 0.987 1150 Y CA -0.848 57.248 58.100 -0.006 0.000 1.044 1150 Y CB 1.854 40.300 38.460 -0.023 0.000 1.245 1150 Y HN 0.268 nan 8.280 nan 0.000 0.461 1151 L N 2.522 123.830 121.223 0.141 0.000 2.333 1151 L HA 0.591 4.931 4.340 0.000 0.000 0.280 1151 L C -0.611 176.264 176.870 0.009 0.000 1.004 1151 L CA -0.534 54.342 54.840 0.059 0.000 0.820 1151 L CB 1.995 44.097 42.059 0.071 0.000 1.247 1151 L HN 0.649 nan 8.230 nan 0.000 0.416 1152 T N 1.334 115.844 114.554 -0.073 0.000 2.758 1152 T HA 0.222 4.572 4.350 0.000 0.000 0.285 1152 T C -0.325 174.266 174.700 -0.181 0.000 0.981 1152 T CA -0.434 61.578 62.100 -0.148 0.000 0.965 1152 T CB 1.489 70.186 68.868 -0.285 0.000 0.927 1152 T HN 0.407 nan 8.240 nan 0.000 0.448 1153 E N 2.761 122.877 120.200 -0.140 0.000 2.223 1153 E HA 0.275 4.625 4.350 0.000 0.000 0.282 1153 E C 0.473 176.924 176.600 -0.249 0.000 1.046 1153 E CA -0.543 55.770 56.400 -0.145 0.000 0.857 1153 E CB 0.438 30.122 29.700 -0.027 0.000 1.055 1153 E HN 0.605 nan 8.360 nan 0.000 0.409 1154 R N 3.143 123.482 120.500 -0.268 0.000 2.615 1154 R HA 0.502 4.842 4.340 0.000 0.000 0.448 1154 R C 0.186 176.351 176.300 -0.224 0.000 1.009 1154 R CA -0.166 55.752 56.100 -0.304 0.000 1.111 1154 R CB 0.082 30.172 30.300 -0.350 0.000 1.461 1154 R HN 0.642 nan 8.270 nan 0.000 0.587 1155 G N -0.074 108.609 108.800 -0.194 0.000 2.662 1155 G HA2 -0.027 3.934 3.960 0.000 0.000 0.686 1155 G HA3 -0.027 3.934 3.960 0.000 0.000 0.686 1155 G C -0.894 173.917 174.900 -0.149 0.000 1.271 1155 G CA -0.448 44.557 45.100 -0.158 0.000 0.816 1155 G HN 0.211 nan 8.290 nan 0.000 0.608 1156 T N 0.682 115.170 114.554 -0.111 0.000 2.900 1156 T HA 0.654 5.004 4.350 0.000 0.000 0.295 1156 T C 0.368 175.078 174.700 0.017 0.000 1.044 1156 T CA -0.042 62.014 62.100 -0.075 0.000 0.995 1156 T CB 1.728 70.542 68.868 -0.090 0.000 1.072 1156 T HN 0.880 nan 8.240 nan 0.000 0.473 1157 T N 2.908 117.493 114.554 0.051 0.000 2.831 1157 T HA 0.183 4.533 4.350 0.000 0.000 0.291 1157 T C -0.758 174.040 174.700 0.163 0.000 0.981 1157 T CA 0.497 62.661 62.100 0.106 0.000 1.174 1157 T CB -0.464 68.468 68.868 0.107 0.000 0.929 1157 T HN 0.429 nan 8.240 nan 0.000 0.532 1158 F N 3.863 123.796 119.950 -0.027 0.000 2.691 1158 F HA 0.520 5.047 4.527 0.000 0.000 0.371 1158 F C 0.651 176.412 175.800 -0.065 0.000 1.159 1158 F CA 0.119 58.090 58.000 -0.047 0.000 1.174 1158 F CB -0.029 38.946 39.000 -0.041 0.000 1.419 1158 F HN 0.938 nan 8.300 nan 0.000 0.514 1159 G N 2.796 111.378 108.800 -0.363 0.000 2.698 1159 G HA2 -0.285 3.675 3.960 0.000 0.000 0.233 1159 G HA3 -0.285 3.675 3.960 0.000 0.000 0.233 1159 G C -1.325 173.419 174.900 -0.261 0.000 1.352 1159 G CA -0.506 44.320 45.100 -0.456 0.000 0.879 1159 G HN 0.524 nan 8.290 nan 0.000 0.567 1160 Y N 1.414 121.687 120.300 -0.045 0.000 2.299 1160 Y HA 0.438 4.989 4.550 0.000 0.000 0.326 1160 Y C 1.543 177.457 175.900 0.023 0.000 1.164 1160 Y CA -0.334 57.764 58.100 -0.003 0.000 1.234 1160 Y CB 0.846 39.301 38.460 -0.009 0.000 1.219 1160 Y HN 0.659 nan 8.280 nan 0.000 0.497 1161 N N 1.706 120.540 118.700 0.223 0.000 2.721 1161 N HA -0.322 4.418 4.740 0.000 0.000 0.249 1161 N C -0.795 174.794 175.510 0.132 0.000 1.072 1161 N CA 1.037 54.175 53.050 0.148 0.000 0.710 1161 N CB -1.131 37.428 38.487 0.120 0.000 0.993 1161 N HN 0.889 nan 8.380 nan 0.000 0.547 1162 N N -0.365 118.419 118.700 0.140 0.000 2.405 1162 N HA 0.548 5.288 4.740 0.000 0.000 0.274 1162 N C -1.542 174.062 175.510 0.156 0.000 1.170 1162 N CA -0.545 52.594 53.050 0.148 0.000 0.848 1162 N CB 1.574 40.174 38.487 0.189 0.000 1.629 1162 N HN -0.019 nan 8.380 nan 0.000 0.481 1163 L N 2.117 123.405 121.223 0.108 0.000 2.381 1163 L HA 0.661 5.001 4.340 0.000 0.000 0.268 1163 L C -0.674 176.178 176.870 -0.029 0.000 0.997 1163 L CA -0.981 53.892 54.840 0.056 0.000 0.818 1163 L CB 2.020 44.085 42.059 0.009 0.000 1.310 1163 L HN 0.276 nan 8.230 nan 0.000 0.416 1164 V N 3.252 123.101 119.914 -0.109 0.000 2.815 1164 V HA 0.583 4.703 4.120 0.000 0.000 0.314 1164 V C -0.723 175.236 176.094 -0.226 0.000 1.064 1164 V CA -0.486 61.650 62.300 -0.274 0.000 0.952 1164 V CB 2.577 34.031 31.823 -0.614 0.000 1.020 1164 V HN 0.424 nan 8.190 nan 0.000 0.439 1165 V N 4.840 124.606 119.914 -0.248 0.000 2.347 1165 V HA 0.381 4.502 4.120 0.000 0.000 0.280 1165 V C -0.379 175.474 176.094 -0.401 0.000 1.021 1165 V CA -0.470 61.611 62.300 -0.365 0.000 0.847 1165 V CB 1.410 32.925 31.823 -0.512 0.000 0.990 1165 V HN 0.918 nan 8.190 nan 0.000 0.444 1166 D N 4.145 124.346 120.400 -0.332 0.000 2.479 1166 D HA 0.243 4.883 4.640 0.000 0.000 0.218 1166 D C 0.766 176.935 176.300 -0.218 0.000 1.131 1166 D CA -0.406 53.479 54.000 -0.192 0.000 0.916 1166 D CB 0.478 41.202 40.800 -0.126 0.000 1.022 1166 D HN 0.398 nan 8.370 nan 0.000 0.515 1167 F N 1.773 121.683 119.950 -0.067 0.000 2.529 1167 F HA -0.061 4.466 4.527 0.000 0.000 0.297 1167 F C 2.242 178.011 175.800 -0.051 0.000 1.114 1167 F CA 0.554 58.512 58.000 -0.071 0.000 1.467 1167 F CB -0.033 38.909 39.000 -0.098 0.000 1.096 1167 F HN 0.276 nan 8.300 nan 0.000 0.586 1168 R N -0.236 120.313 120.500 0.083 0.000 2.241 1168 R HA -0.135 4.205 4.340 0.000 0.000 0.224 1168 R C 2.476 178.797 176.300 0.035 0.000 1.101 1168 R CA 1.252 57.392 56.100 0.067 0.000 0.995 1168 R CB -0.513 29.837 30.300 0.083 0.000 0.870 1168 R HN 0.362 nan 8.270 nan 0.000 0.463 1169 S N 0.539 116.229 115.700 -0.016 0.000 2.402 1169 S HA -0.104 4.366 4.470 0.000 0.000 0.229 1169 S C 1.862 176.434 174.600 -0.047 0.000 1.021 1169 S CA 0.682 58.855 58.200 -0.046 0.000 0.974 1169 S CB -0.121 63.014 63.200 -0.108 0.000 0.800 1169 S HN 0.069 nan 8.310 nan 0.000 0.484 1170 L N 2.779 123.985 121.223 -0.028 0.000 1.970 1170 L HA 0.035 4.375 4.340 0.000 0.000 0.212 1170 L C -0.407 176.418 176.870 -0.077 0.000 1.071 1170 L CA 1.974 56.794 54.840 -0.032 0.000 0.751 1170 L CB -1.597 40.472 42.059 0.016 0.000 0.889 1170 L HN 0.294 nan 8.230 nan 0.000 0.432 1171 P HA -0.117 nan 4.420 nan 0.000 0.221 1171 P C 2.062 179.267 177.300 -0.160 0.000 1.150 1171 P CA 1.440 64.481 63.100 -0.098 0.000 0.800 1171 P CB 0.142 31.810 31.700 -0.053 0.000 0.787 1172 I N -0.542 119.952 120.570 -0.128 0.000 2.163 1172 I HA -0.205 3.965 4.170 0.000 0.000 0.240 1172 I C 2.770 178.597 176.117 -0.484 0.000 1.081 1172 I CA 1.556 62.743 61.300 -0.187 0.000 1.353 1172 I CB -0.628 37.395 38.000 0.038 0.000 1.054 1172 I HN -0.172 nan 8.210 nan 0.000 0.407 1173 M N 0.130 119.541 119.600 -0.315 0.000 2.229 1173 M HA -0.182 4.298 4.480 0.000 0.000 0.264 1173 M C 2.174 178.142 176.300 -0.554 0.000 1.063 1173 M CA 1.271 56.342 55.300 -0.382 0.000 1.114 1173 M CB -0.435 32.124 32.600 -0.069 0.000 1.387 1173 M HN 0.009 nan 8.290 nan 0.000 0.420 1174 K N 1.148 121.325 120.400 -0.372 0.000 2.360 1174 K HA -0.152 4.168 4.320 0.000 0.000 0.201 1174 K C 1.634 178.020 176.600 -0.356 0.000 1.046 1174 K CA 1.453 57.573 56.287 -0.279 0.000 0.940 1174 K CB -0.213 32.175 32.500 -0.187 0.000 0.748 1174 K HN 0.416 nan 8.250 nan 0.000 0.465 1175 Q N -1.293 118.129 119.800 -0.630 0.000 2.226 1175 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 1175 Q C 0.631 176.471 176.000 -0.268 0.000 0.975 1175 Q CA 1.728 57.208 55.803 -0.539 0.000 0.866 1175 Q CB -0.058 28.183 28.738 -0.828 0.000 0.915 1175 Q HN 0.664 nan 8.270 nan 0.000 0.440 1176 W N -2.637 118.666 121.300 0.005 0.000 2.534 1176 W HA 0.700 5.360 4.660 -0.000 0.000 0.339 1176 W C -0.142 176.363 176.519 -0.024 0.000 0.961 1176 W CA -0.192 57.151 57.345 -0.003 0.000 1.545 1176 W CB 0.282 29.747 29.460 0.009 0.000 1.104 1176 W HN -0.116 nan 8.180 nan 0.000 0.538 1177 A N 0.704 123.570 122.820 0.076 0.000 2.586 1177 A HA 0.581 4.901 4.320 0.000 0.000 0.291 1177 A C -0.987 176.566 177.584 -0.051 0.000 1.062 1177 A CA -1.263 50.792 52.037 0.030 0.000 0.666 1177 A CB 0.902 19.966 19.000 0.106 0.000 1.281 1177 A HN 0.030 nan 8.150 nan 0.000 0.421 1178 K N 0.345 120.677 120.400 -0.113 0.000 2.326 1178 K HA 0.483 4.803 4.320 0.000 0.000 0.275 1178 K C -0.745 175.874 176.600 0.031 0.000 1.018 1178 K CA -0.154 56.087 56.287 -0.077 0.000 0.962 1178 K CB 1.064 33.450 32.500 -0.189 0.000 0.953 1178 K HN 0.366 nan 8.250 nan 0.000 0.475 1179 V N 4.646 124.582 119.914 0.037 0.000 2.459 1179 V HA 0.346 4.466 4.120 0.000 0.000 0.295 1179 V C -0.205 175.923 176.094 0.056 0.000 1.029 1179 V CA -0.899 61.427 62.300 0.044 0.000 0.874 1179 V CB 1.355 33.175 31.823 -0.005 0.000 0.985 1179 V HN 0.573 nan 8.190 nan 0.000 0.438 1180 I N 4.108 124.707 120.570 0.049 0.000 2.530 1180 I HA 0.397 4.567 4.170 0.000 0.000 0.297 1180 I C -0.819 175.330 176.117 0.053 0.000 1.011 1180 I CA -0.892 60.418 61.300 0.016 0.000 1.107 1180 I CB 1.732 39.709 38.000 -0.039 0.000 1.285 1180 I HN 0.680 nan 8.210 nan 0.000 0.436 1181 Y N 4.536 124.827 120.300 -0.014 0.000 2.331 1181 Y HA 0.318 4.868 4.550 0.000 0.000 0.338 1181 Y C 0.022 175.944 175.900 0.036 0.000 0.976 1181 Y CA -0.821 57.283 58.100 0.006 0.000 1.137 1181 Y CB 0.860 39.369 38.460 0.082 0.000 1.172 1181 Y HN 0.511 nan 8.280 nan 0.000 0.478 1182 D N 5.376 125.350 120.400 -0.709 0.000 2.435 1182 D HA 0.196 4.836 4.640 0.000 0.000 0.230 1182 D C 0.756 176.585 176.300 -0.784 0.000 1.215 1182 D CA 0.429 54.109 54.000 -0.533 0.000 0.947 1182 D CB 1.033 41.502 40.800 -0.552 0.000 1.048 1182 D HN 0.816 nan 8.370 nan 0.000 0.512 1183 A N 2.867 125.413 122.820 -0.456 0.000 2.015 1183 A HA -0.131 4.190 4.320 0.000 0.000 0.219 1183 A C 1.943 179.519 177.584 -0.014 0.000 1.163 1183 A CA 1.861 53.807 52.037 -0.151 0.000 0.646 1183 A CB -0.249 18.867 19.000 0.194 0.000 0.806 1183 A HN 0.600 nan 8.150 nan 0.000 0.448 1184 T N -4.307 110.242 114.554 -0.008 0.000 3.039 1184 T HA 0.217 4.567 4.350 0.000 0.000 0.250 1184 T C 1.852 176.549 174.700 -0.004 0.000 1.052 1184 T CA 1.012 63.130 62.100 0.029 0.000 1.125 1184 T CB -0.285 68.613 68.868 0.050 0.000 0.908 1184 T HN 0.288 nan 8.240 nan 0.000 0.473 1185 G N 1.307 110.068 108.800 -0.065 0.000 2.421 1185 G HA2 -0.053 3.907 3.960 0.000 0.000 0.217 1185 G HA3 -0.053 3.907 3.960 0.000 0.000 0.217 1185 G C 1.695 176.529 174.900 -0.110 0.000 1.143 1185 G CA 0.631 45.667 45.100 -0.106 0.000 0.784 1185 G HN 0.521 nan 8.290 nan 0.000 0.541 1186 S N -0.130 115.483 115.700 -0.144 0.000 2.507 1186 S HA -0.047 4.423 4.470 0.000 0.000 0.235 1186 S C 2.134 176.739 174.600 0.008 0.000 0.988 1186 S CA 1.107 59.253 58.200 -0.090 0.000 0.944 1186 S CB 0.079 63.222 63.200 -0.095 0.000 0.762 1186 S HN 0.515 nan 8.310 nan 0.000 0.526 1187 V N -0.152 119.789 119.914 0.046 0.000 3.528 1187 V HA 0.234 4.354 4.120 0.000 0.000 0.294 1187 V C 0.449 176.597 176.094 0.091 0.000 1.404 1187 V CA -0.570 61.795 62.300 0.109 0.000 1.065 1187 V CB -0.754 31.180 31.823 0.185 0.000 0.904 1187 V HN 0.489 nan 8.190 nan 0.000 0.435 1188 Q N 1.377 121.205 119.800 0.047 0.000 2.394 1188 Q HA 0.544 4.884 4.340 0.000 0.000 0.248 1188 Q C -0.706 175.329 176.000 0.058 0.000 0.992 1188 Q CA -0.431 55.400 55.803 0.046 0.000 0.888 1188 Q CB 1.403 30.152 28.738 0.018 0.000 1.257 1188 Q HN 0.520 nan 8.270 nan 0.000 0.462 1189 L N 2.792 124.055 121.223 0.068 0.000 2.313 1189 L HA 0.395 4.735 4.340 0.000 0.000 0.273 1189 L C -2.268 174.648 176.870 0.076 0.000 1.028 1189 L CA -2.402 52.486 54.840 0.079 0.000 0.871 1189 L CB 1.115 43.225 42.059 0.085 0.000 1.242 1189 L HN 0.476 nan 8.230 nan 0.000 0.434 1190 P HA -0.048 nan 4.420 nan 0.000 0.258 1190 P C 1.039 178.392 177.300 0.089 0.000 1.172 1190 P CA 0.739 63.898 63.100 0.099 0.000 0.762 1190 P CB 0.599 32.377 31.700 0.131 0.000 0.764 1191 G N 3.412 112.258 108.800 0.076 0.000 2.212 1191 G HA2 -0.336 3.624 3.960 0.000 0.000 0.267 1191 G HA3 -0.336 3.624 3.960 0.000 0.000 0.267 1191 G C 1.322 176.251 174.900 0.049 0.000 1.002 1191 G CA 0.491 45.624 45.100 0.056 0.000 0.729 1191 G HN 0.695 nan 8.290 nan 0.000 0.517 1192 G N -0.605 108.229 108.800 0.057 0.000 2.491 1192 G HA2 0.065 4.026 3.960 0.000 0.000 0.218 1192 G HA3 0.065 4.026 3.960 0.000 0.000 0.218 1192 G C 1.014 175.940 174.900 0.043 0.000 1.180 1192 G CA 1.079 46.212 45.100 0.055 0.000 0.774 1192 G HN 0.489 nan 8.290 nan 0.000 0.562 1199 G N -1.030 107.807 108.800 0.063 0.000 2.473 1199 G HA2 0.578 4.538 3.960 0.000 0.000 0.298 1199 G HA3 0.578 4.538 3.960 0.000 0.000 0.298 1199 G C -1.010 173.942 174.900 0.088 0.000 1.575 1199 G CA -0.749 44.395 45.100 0.075 0.000 0.846 1199 G HN 0.646 nan 8.290 nan 0.000 0.585 1200 M N 2.205 121.884 119.600 0.133 0.000 2.016 1200 M HA 0.306 4.787 4.480 0.000 0.000 0.315 1200 M C 1.380 177.730 176.300 0.083 0.000 0.930 1200 M CA -0.704 54.676 55.300 0.134 0.000 0.899 1200 M CB 1.932 34.729 32.600 0.330 0.000 1.401 1200 M HN 0.698 nan 8.290 nan 0.000 0.386 1201 R N 2.205 122.713 120.500 0.014 0.000 2.159 1201 R HA -0.155 4.185 4.340 0.000 0.000 0.237 1201 R C 1.876 178.149 176.300 -0.044 0.000 1.131 1201 R CA 2.017 58.120 56.100 0.004 0.000 0.982 1201 R CB 0.185 30.480 30.300 -0.008 0.000 0.868 1201 R HN 0.696 nan 8.270 nan 0.000 0.453 1202 E N -0.195 119.885 120.200 -0.200 0.000 2.333 1202 E HA -0.203 4.148 4.350 0.000 0.000 0.198 1202 E C 0.986 177.375 176.600 -0.350 0.000 1.007 1202 E CA 1.119 57.323 56.400 -0.328 0.000 0.845 1202 E CB -0.279 29.101 29.700 -0.534 0.000 0.766 1202 E HN 0.517 nan 8.360 nan 0.000 0.507 1203 F N 0.417 120.424 119.950 0.096 0.000 2.727 1203 F HA 0.301 4.828 4.527 0.000 0.000 0.302 1203 F C 2.067 177.959 175.800 0.154 0.000 1.097 1203 F CA -0.473 57.593 58.000 0.109 0.000 1.330 1203 F CB 0.043 39.098 39.000 0.091 0.000 1.084 1203 F HN -0.138 nan 8.300 nan 0.000 0.578 1204 I N 0.054 120.789 120.570 0.275 0.000 2.099 1204 I HA -0.371 3.799 4.170 0.000 0.000 0.239 1204 I C 2.473 178.802 176.117 0.353 0.000 1.066 1204 I CA 1.854 63.317 61.300 0.272 0.000 1.324 1204 I CB -0.457 37.647 38.000 0.173 0.000 1.037 1204 I HN 0.183 nan 8.210 nan 0.000 0.401 1205 F N 2.361 122.382 119.950 0.118 0.000 2.069 1205 F HA -0.176 4.352 4.527 0.000 0.000 0.298 1205 F C -0.235 175.622 175.800 0.095 0.000 1.113 1205 F CA 1.213 59.269 58.000 0.093 0.000 1.214 1205 F CB -1.081 37.951 39.000 0.052 0.000 0.978 1205 F HN 0.029 nan 8.300 nan 0.000 0.474 1206 P HA -0.200 nan 4.420 nan 0.000 0.215 1206 P C 1.874 179.195 177.300 0.034 0.000 1.153 1206 P CA 1.621 64.716 63.100 -0.010 0.000 0.853 1206 P CB -0.308 31.434 31.700 0.069 0.000 0.788 1207 L N -0.986 120.342 121.223 0.176 0.000 2.131 1207 L HA -0.109 4.231 4.340 0.000 0.000 0.210 1207 L C 2.775 179.704 176.870 0.099 0.000 1.092 1207 L CA 1.087 56.048 54.840 0.200 0.000 0.759 1207 L CB -0.702 41.591 42.059 0.391 0.000 0.903 1207 L HN -0.089 nan 8.230 nan 0.000 0.435 1208 I N -0.313 120.396 120.570 0.232 0.000 2.439 1208 I HA -0.237 3.933 4.170 0.000 0.000 0.251 1208 I C 2.733 178.888 176.117 0.064 0.000 1.139 1208 I CA 0.940 62.375 61.300 0.224 0.000 1.438 1208 I CB -0.036 38.205 38.000 0.401 0.000 1.085 1208 I HN 0.214 nan 8.210 nan 0.000 0.427 1209 R N 0.599 121.106 120.500 0.012 0.000 2.092 1209 R HA -0.120 4.220 4.340 0.000 0.000 0.231 1209 R C 2.351 178.545 176.300 -0.178 0.000 1.119 1209 R CA 1.355 57.403 56.100 -0.088 0.000 0.970 1209 R CB -0.478 29.698 30.300 -0.206 0.000 0.864 1209 R HN 0.399 nan 8.270 nan 0.000 0.440 1210 A N 1.582 124.223 122.820 -0.298 0.000 1.877 1210 A HA -0.138 4.182 4.320 0.000 0.000 0.216 1210 A C 2.430 179.679 177.584 -0.558 0.000 1.186 1210 A CA 1.743 53.437 52.037 -0.572 0.000 0.620 1210 A CB -0.671 17.719 19.000 -1.017 0.000 0.822 1210 A HN 0.387 nan 8.150 nan 0.000 0.443 1211 A N -0.064 122.517 122.820 -0.399 0.000 1.883 1211 A HA -0.079 4.241 4.320 0.000 0.000 0.217 1211 A C 2.293 179.843 177.584 -0.057 0.000 1.186 1211 A CA 2.542 54.472 52.037 -0.178 0.000 0.624 1211 A CB -1.301 17.471 19.000 -0.380 0.000 0.822 1211 A HN 1.137 nan 8.150 nan 0.000 0.444 1212 V N -2.725 117.179 119.914 -0.017 0.000 2.667 1212 V HA 0.101 4.221 4.120 0.000 0.000 0.252 1212 V C 2.468 178.615 176.094 0.088 0.000 1.065 1212 V CA 1.480 63.810 62.300 0.050 0.000 1.083 1212 V CB -1.345 30.484 31.823 0.010 0.000 0.692 1212 V HN 0.505 nan 8.190 nan 0.000 0.468 1213 A N 0.612 123.433 122.820 0.002 0.000 1.897 1213 A HA -0.017 4.304 4.320 0.000 0.000 0.215 1213 A C 2.356 180.002 177.584 0.103 0.000 1.181 1213 A CA 1.911 53.973 52.037 0.042 0.000 0.620 1213 A CB -0.728 18.225 19.000 -0.079 0.000 0.821 1213 A HN 0.377 nan 8.150 nan 0.000 0.443 1214 V N -0.711 119.182 119.914 -0.034 0.000 2.307 1214 V HA 0.211 4.331 4.120 0.000 0.000 0.245 1214 V C 1.362 177.391 176.094 -0.109 0.000 1.045 1214 V CA 1.485 63.764 62.300 -0.035 0.000 1.024 1214 V CB -1.317 30.477 31.823 -0.048 0.000 0.651 1214 V HN 1.324 nan 8.190 nan 0.000 0.449 1215 G N -0.568 108.103 108.800 -0.214 0.000 3.438 1215 G HA2 0.077 4.037 3.960 0.000 0.000 0.684 1215 G HA3 0.077 4.037 3.960 0.000 0.000 0.684 1215 G C -0.753 173.951 174.900 -0.326 0.000 1.192 1215 G CA -0.660 44.039 45.100 -0.668 0.000 1.013 1215 G HN 1.063 nan 8.290 nan 0.000 0.530 1216 C N 0.266 119.489 119.300 -0.129 0.000 3.285 1216 C HA 0.881 5.342 4.460 0.000 0.000 0.320 1216 C C 0.523 175.581 174.990 0.112 0.000 1.411 1216 C CA -0.528 58.497 59.018 0.012 0.000 1.429 1216 C CB 1.896 29.698 27.740 0.103 0.000 1.812 1216 C HN 0.655 nan 8.230 nan 0.000 0.454 1217 D N 0.361 120.781 120.400 0.032 0.000 2.349 1217 D HA 0.414 5.054 4.640 0.000 0.000 0.214 1217 D C 0.726 176.794 176.300 -0.387 0.000 1.063 1217 D CA 1.149 55.141 54.000 -0.013 0.000 0.847 1217 D CB 0.902 41.719 40.800 0.029 0.000 0.933 1217 D HN 1.122 nan 8.370 nan 0.000 0.513 1218 G N 0.194 108.640 108.800 -0.591 0.000 2.325 1218 G HA2 0.368 4.329 3.960 0.000 0.000 0.297 1218 G HA3 0.368 4.329 3.960 0.000 0.000 0.297 1218 G C -1.368 173.273 174.900 -0.431 0.000 1.448 1218 G CA -0.494 43.961 45.100 -1.074 0.000 0.838 1218 G HN 0.048 nan 8.290 nan 0.000 0.579 1219 V N -2.015 117.707 119.914 -0.321 0.000 2.914 1219 V HA 0.921 5.041 4.120 0.000 0.000 0.314 1219 V C -1.021 175.081 176.094 0.014 0.000 1.084 1219 V CA -1.281 61.038 62.300 0.032 0.000 0.963 1219 V CB 1.958 33.908 31.823 0.213 0.000 1.025 1219 V HN 1.308 nan 8.190 nan 0.000 0.432 1220 F N 3.770 123.647 119.950 -0.122 0.000 2.493 1220 F HA 0.894 5.421 4.527 0.000 0.000 0.329 1220 F C -0.585 175.137 175.800 -0.129 0.000 1.126 1220 F CA -0.984 56.923 58.000 -0.155 0.000 0.937 1220 F CB 1.944 40.828 39.000 -0.194 0.000 1.146 1220 F HN 0.616 nan 8.300 nan 0.000 0.442 1221 M N 5.577 124.985 119.600 -0.320 0.000 2.271 1221 M HA 0.308 4.788 4.480 0.000 0.000 0.285 1221 M C -1.266 174.849 176.300 -0.308 0.000 1.059 1221 M CA -0.565 54.632 55.300 -0.172 0.000 0.940 1221 M CB 2.642 35.193 32.600 -0.081 0.000 1.636 1221 M HN 0.497 nan 8.290 nan 0.000 0.460 1222 E N 1.756 121.862 120.200 -0.158 0.000 2.200 1222 E HA 0.397 4.747 4.350 0.000 0.000 0.283 1222 E C -0.606 175.948 176.600 -0.077 0.000 1.015 1222 E CA -0.273 56.039 56.400 -0.147 0.000 0.819 1222 E CB 1.949 31.631 29.700 -0.031 0.000 1.081 1222 E HN 0.461 nan 8.360 nan 0.000 0.397 1223 T N 2.536 117.039 114.554 -0.086 0.000 2.893 1223 T HA 0.235 4.585 4.350 0.000 0.000 0.293 1223 T C -1.517 173.202 174.700 0.033 0.000 1.027 1223 T CA -0.637 61.449 62.100 -0.024 0.000 0.988 1223 T CB 1.102 69.941 68.868 -0.048 0.000 1.043 1223 T HN 0.441 nan 8.240 nan 0.000 0.461 1224 H N 3.777 122.824 119.070 -0.037 0.000 2.806 1224 H HA 0.378 4.934 4.556 0.000 0.000 0.367 1224 H C -2.399 172.921 175.328 -0.013 0.000 1.136 1224 H CA -1.835 54.202 56.048 -0.019 0.000 1.178 1224 H CB 2.700 32.453 29.762 -0.015 0.000 1.718 1224 H HN 0.328 nan 8.280 nan 0.000 0.540 1225 P HA -0.112 nan 4.420 nan 0.000 0.216 1225 P C -0.698 176.717 177.300 0.191 0.000 1.150 1225 P CA 1.551 64.701 63.100 0.084 0.000 0.843 1225 P CB 0.391 32.081 31.700 -0.017 0.000 0.787 1226 E N -2.706 117.745 120.200 0.418 0.000 2.923 1226 E HA 0.144 4.494 4.350 0.000 0.000 0.266 1226 E C -2.249 174.315 176.600 -0.061 0.000 1.157 1226 E CA -1.526 54.964 56.400 0.151 0.000 0.795 1226 E CB 1.064 30.825 29.700 0.102 0.000 1.454 1226 E HN 0.055 nan 8.360 nan 0.000 0.386 1227 P HA -0.318 nan 4.420 nan 0.000 0.218 1227 P C 1.233 178.406 177.300 -0.211 0.000 1.150 1227 P CA 1.513 64.493 63.100 -0.199 0.000 0.841 1227 P CB 0.169 31.831 31.700 -0.063 0.000 0.784 1228 E N 0.341 120.465 120.200 -0.126 0.000 2.204 1228 E HA -0.195 4.155 4.350 0.000 0.000 0.195 1228 E C 1.231 177.761 176.600 -0.116 0.000 0.990 1228 E CA 1.166 57.510 56.400 -0.093 0.000 0.821 1228 E CB -0.643 29.026 29.700 -0.051 0.000 0.750 1228 E HN 0.288 nan 8.360 nan 0.000 0.477 1229 K N 0.570 120.872 120.400 -0.163 0.000 2.358 1229 K HA 0.308 4.628 4.320 0.000 0.000 0.197 1229 K C 0.363 176.824 176.600 -0.231 0.000 1.025 1229 K CA 0.077 56.279 56.287 -0.142 0.000 1.104 1229 K CB 0.909 33.373 32.500 -0.060 0.000 0.855 1229 K HN 0.122 nan 8.250 nan 0.000 0.531 1230 A N 1.031 123.597 122.820 -0.423 0.000 2.507 1230 A HA 0.066 4.386 4.320 0.000 0.000 0.235 1230 A C 0.955 178.429 177.584 -0.182 0.000 1.070 1230 A CA 0.062 51.844 52.037 -0.426 0.000 0.768 1230 A CB 0.146 18.878 19.000 -0.447 0.000 1.011 1230 A HN 0.291 nan 8.150 nan 0.000 0.502 1231 L N 0.835 121.973 121.223 -0.141 0.000 2.567 1231 L HA 0.119 4.459 4.340 0.000 0.000 0.225 1231 L C 0.694 177.591 176.870 0.044 0.000 1.119 1231 L CA 0.842 55.594 54.840 -0.146 0.000 0.871 1231 L CB -0.440 41.273 42.059 -0.578 0.000 1.036 1231 L HN 0.817 nan 8.230 nan 0.000 0.459 1232 S N -2.814 112.915 115.700 0.049 0.000 2.537 1232 S HA 0.293 4.763 4.470 0.000 0.000 0.270 1232 S C -0.506 174.111 174.600 0.030 0.000 1.142 1232 S CA -0.843 57.404 58.200 0.077 0.000 0.870 1232 S CB 1.947 65.230 63.200 0.138 0.000 1.112 1232 S HN 0.159 nan 8.310 nan 0.000 0.466 1233 D N 0.559 120.973 120.400 0.024 0.000 2.686 1233 D HA -0.194 4.446 4.640 0.000 0.000 0.235 1233 D C 1.186 177.478 176.300 -0.014 0.000 1.160 1233 D CA 0.992 54.999 54.000 0.012 0.000 0.645 1233 D CB -1.158 39.654 40.800 0.021 0.000 1.039 1233 D HN 0.885 nan 8.370 nan 0.000 0.423 1234 A N -0.488 122.313 122.820 -0.033 0.000 2.067 1234 A HA -0.091 4.229 4.320 0.000 0.000 0.219 1234 A C 2.281 179.840 177.584 -0.042 0.000 1.158 1234 A CA 1.570 53.566 52.037 -0.069 0.000 0.661 1234 A CB 0.124 19.079 19.000 -0.074 0.000 0.801 1234 A HN 0.295 nan 8.150 nan 0.000 0.452 1235 S N -0.979 114.713 115.700 -0.014 0.000 2.501 1235 S HA -0.028 4.442 4.470 0.000 0.000 0.220 1235 S C 1.771 176.377 174.600 0.010 0.000 0.997 1235 S CA 1.304 59.504 58.200 0.000 0.000 0.919 1235 S CB -0.007 63.202 63.200 0.015 0.000 0.778 1235 S HN 0.889 nan 8.310 nan 0.000 0.523 1236 T N -1.273 113.288 114.554 0.012 0.000 2.959 1236 T HA 0.232 4.583 4.350 0.000 0.000 0.254 1236 T C 0.431 175.143 174.700 0.019 0.000 1.003 1236 T CA -0.302 61.812 62.100 0.024 0.000 0.950 1236 T CB -0.064 68.823 68.868 0.032 0.000 1.090 1236 T HN 0.131 nan 8.240 nan 0.000 0.503 1237 Q N 1.306 121.111 119.800 0.007 0.000 2.330 1237 Q HA 0.341 4.681 4.340 0.000 0.000 0.279 1237 Q C -0.729 175.278 176.000 0.012 0.000 1.024 1237 Q CA -0.408 55.403 55.803 0.013 0.000 0.900 1237 Q CB 1.039 29.789 28.738 0.019 0.000 1.221 1237 Q HN 0.337 nan 8.270 nan 0.000 0.396 1238 L N 5.237 126.466 121.223 0.010 0.000 2.331 1238 L HA 0.274 4.614 4.340 0.000 0.000 0.278 1238 L C -2.381 174.495 176.870 0.009 0.000 1.106 1238 L CA -1.548 53.293 54.840 0.001 0.000 0.824 1238 L CB 0.708 42.758 42.059 -0.014 0.000 1.142 1238 L HN 0.374 nan 8.230 nan 0.000 0.443 1239 P HA -0.036 nan 4.420 nan 0.000 0.263 1239 P C 0.446 177.749 177.300 0.006 0.000 1.195 1239 P CA -0.105 63.004 63.100 0.016 0.000 0.762 1239 P CB 0.639 32.341 31.700 0.003 0.000 0.799 1240 L N 4.810 126.043 121.223 0.017 0.000 2.129 1240 L HA -0.243 4.097 4.340 0.000 0.000 0.212 1240 L C 1.933 178.799 176.870 -0.007 0.000 1.087 1240 L CA 2.437 57.276 54.840 -0.001 0.000 0.757 1240 L CB -1.255 40.799 42.059 -0.007 0.000 0.896 1240 L HN 0.368 nan 8.230 nan 0.000 0.434 1241 S N -2.051 113.646 115.700 -0.005 0.000 2.481 1241 S HA -0.175 4.296 4.470 0.000 0.000 0.231 1241 S C 1.756 176.348 174.600 -0.014 0.000 0.996 1241 S CA 0.909 59.105 58.200 -0.007 0.000 0.942 1241 S CB -0.460 62.738 63.200 -0.004 0.000 0.768 1241 S HN 0.703 nan 8.310 nan 0.000 0.520 1242 Q N -0.101 119.683 119.800 -0.028 0.000 2.424 1242 Q HA 0.269 4.609 4.340 0.000 0.000 0.204 1242 Q C 1.807 177.765 176.000 -0.070 0.000 0.933 1242 Q CA 0.110 55.877 55.803 -0.059 0.000 0.929 1242 Q CB -0.196 28.493 28.738 -0.083 0.000 1.037 1242 Q HN 0.439 nan 8.270 nan 0.000 0.511 1243 L N 1.655 122.857 121.223 -0.034 0.000 2.013 1243 L HA -0.263 4.077 4.340 0.000 0.000 0.212 1243 L C 2.185 179.064 176.870 0.016 0.000 1.073 1243 L CA 2.020 56.851 54.840 -0.014 0.000 0.753 1243 L CB -0.449 41.619 42.059 0.016 0.000 0.890 1243 L HN 0.234 nan 8.230 nan 0.000 0.432 1244 E N -1.055 119.186 120.200 0.068 0.000 2.049 1244 E HA -0.233 4.117 4.350 0.000 0.000 0.198 1244 E C 2.073 178.741 176.600 0.113 0.000 1.007 1244 E CA 1.343 57.847 56.400 0.173 0.000 0.809 1244 E CB -0.564 29.239 29.700 0.172 0.000 0.749 1244 E HN 0.625 nan 8.360 nan 0.000 0.450 1245 G N 1.456 110.274 108.800 0.029 0.000 2.440 1245 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 1245 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 1245 G C 1.565 176.404 174.900 -0.102 0.000 1.154 1245 G CA 0.856 45.948 45.100 -0.013 0.000 0.767 1245 G HN 0.223 nan 8.290 nan 0.000 0.552 1246 I N 1.064 121.504 120.570 -0.218 0.000 2.179 1246 I HA -0.110 4.060 4.170 0.000 0.000 0.242 1246 I C 2.832 178.879 176.117 -0.118 0.000 1.088 1246 I CA 0.949 62.064 61.300 -0.308 0.000 1.357 1246 I CB -0.965 36.855 38.000 -0.299 0.000 1.051 1246 I HN 0.199 nan 8.210 nan 0.000 0.409 1247 I N 0.685 121.171 120.570 -0.141 0.000 2.179 1247 I HA -0.305 3.866 4.170 0.000 0.000 0.242 1247 I C 2.615 178.524 176.117 -0.346 0.000 1.088 1247 I CA 1.501 62.637 61.300 -0.274 0.000 1.357 1247 I CB -0.409 37.319 38.000 -0.453 0.000 1.051 1247 I HN 0.201 nan 8.210 nan 0.000 0.409 1248 E N 1.692 121.755 120.200 -0.228 0.000 2.058 1248 E HA -0.239 4.111 4.350 0.000 0.000 0.194 1248 E C 2.077 178.677 176.600 0.000 0.000 0.997 1248 E CA 1.922 58.307 56.400 -0.025 0.000 0.801 1248 E CB -0.232 29.583 29.700 0.193 0.000 0.746 1248 E HN 0.414 nan 8.360 nan 0.000 0.450 1249 A N 1.289 124.137 122.820 0.047 0.000 1.883 1249 A HA -0.161 4.159 4.320 0.000 0.000 0.217 1249 A C 2.426 180.051 177.584 0.069 0.000 1.186 1249 A CA 1.997 54.110 52.037 0.128 0.000 0.624 1249 A CB -1.099 18.116 19.000 0.357 0.000 0.822 1249 A HN 0.564 nan 8.150 nan 0.000 0.444 1250 I N -2.776 117.815 120.570 0.034 0.000 2.439 1250 I HA -0.123 4.047 4.170 0.000 0.000 0.251 1250 I C 2.107 178.116 176.117 -0.180 0.000 1.139 1250 I CA 1.155 62.433 61.300 -0.037 0.000 1.438 1250 I CB -0.479 37.520 38.000 -0.001 0.000 1.085 1250 I HN 0.204 nan 8.210 nan 0.000 0.427 1251 L N 1.126 122.225 121.223 -0.207 0.000 2.093 1251 L HA -0.139 4.201 4.340 0.000 0.000 0.208 1251 L C 2.703 179.495 176.870 -0.130 0.000 1.085 1251 L CA 1.550 56.250 54.840 -0.233 0.000 0.755 1251 L CB -0.549 41.407 42.059 -0.172 0.000 0.904 1251 L HN 0.284 nan 8.230 nan 0.000 0.435 1252 E N 0.279 120.440 120.200 -0.064 0.000 2.047 1252 E HA -0.200 4.150 4.350 0.000 0.000 0.191 1252 E C 2.272 178.843 176.600 -0.048 0.000 0.987 1252 E CA 1.216 57.596 56.400 -0.034 0.000 0.799 1252 E CB -0.058 29.644 29.700 0.003 0.000 0.752 1252 E HN 0.466 nan 8.360 nan 0.000 0.449 1253 I N 0.775 121.315 120.570 -0.049 0.000 2.315 1253 I HA -0.245 3.925 4.170 0.000 0.000 0.248 1253 I C 2.717 178.801 176.117 -0.055 0.000 1.117 1253 I CA 0.874 62.146 61.300 -0.047 0.000 1.404 1253 I CB -0.268 37.707 38.000 -0.041 0.000 1.071 1253 I HN 0.047 nan 8.210 nan 0.000 0.419 1254 R N 1.341 121.787 120.500 -0.090 0.000 2.083 1254 R HA -0.268 4.072 4.340 0.000 0.000 0.237 1254 R C 2.244 178.472 176.300 -0.119 0.000 1.137 1254 R CA 2.142 58.196 56.100 -0.076 0.000 0.951 1254 R CB -0.201 29.952 30.300 -0.245 0.000 0.851 1254 R HN 0.206 nan 8.270 nan 0.000 0.434 1255 E N 0.193 120.319 120.200 -0.124 0.000 2.038 1255 E HA -0.183 4.167 4.350 0.000 0.000 0.195 1255 E C 1.844 178.358 176.600 -0.144 0.000 1.000 1255 E CA 1.771 58.097 56.400 -0.123 0.000 0.803 1255 E CB -0.534 29.117 29.700 -0.081 0.000 0.750 1255 E HN 0.218 nan 8.360 nan 0.000 0.448 1256 V N -0.082 119.772 119.914 -0.100 0.000 2.515 1256 V HA -0.107 4.013 4.120 0.000 0.000 0.250 1256 V C 1.988 178.039 176.094 -0.071 0.000 1.058 1256 V CA 2.065 64.321 62.300 -0.073 0.000 1.064 1256 V CB -0.393 31.414 31.823 -0.027 0.000 0.675 1256 V HN 0.451 nan 8.190 nan 0.000 0.461 1257 A N -0.210 122.547 122.820 -0.104 0.000 2.081 1257 A HA -0.034 4.286 4.320 0.000 0.000 0.214 1257 A C 2.453 179.732 177.584 -0.509 0.000 1.158 1257 A CA 1.379 53.365 52.037 -0.086 0.000 0.724 1257 A CB -0.599 18.414 19.000 0.021 0.000 0.826 1257 A HN 0.790 nan 8.150 nan 0.000 0.463 1258 S N 1.867 117.084 115.700 -0.805 0.000 2.387 1258 S HA -0.319 4.151 4.470 0.000 0.000 0.230 1258 S C 1.878 175.991 174.600 -0.811 0.000 1.035 1258 S CA 1.755 59.176 58.200 -1.298 0.000 1.014 1258 S CB -0.676 62.160 63.200 -0.606 0.000 0.836 1258 S HN 0.783 nan 8.310 nan 0.000 0.466 1259 K N 0.315 120.353 120.400 -0.604 0.000 2.360 1259 K HA -0.097 4.223 4.320 0.000 0.000 0.201 1259 K C 1.140 177.388 176.600 -0.587 0.000 1.046 1259 K CA 1.330 57.271 56.287 -0.577 0.000 0.945 1259 K CB -0.534 31.556 32.500 -0.683 0.000 0.750 1259 K HN 0.613 nan 8.250 nan 0.000 0.464 1260 Y N 0.082 120.262 120.300 -0.200 0.000 2.458 1260 Y HA 0.183 4.733 4.550 0.000 0.000 0.256 1260 Y C 0.089 176.025 175.900 0.060 0.000 1.159 1260 Y CA -1.024 57.035 58.100 -0.068 0.000 1.261 1260 Y CB 0.131 38.556 38.460 -0.057 0.000 1.119 1260 Y HN -0.088 nan 8.280 nan 0.000 0.524 1261 Y N 2.270 122.614 120.300 0.073 0.000 2.717 1261 Y HA -0.023 4.527 4.550 0.000 0.000 0.330 1261 Y C 0.576 176.497 175.900 0.034 0.000 1.217 1261 Y CA -0.741 57.386 58.100 0.046 0.000 1.506 1261 Y CB 0.419 38.892 38.460 0.022 0.000 1.268 1261 Y HN 0.098 nan 8.280 nan 0.000 0.561 1262 E N 1.328 121.639 120.200 0.186 0.000 2.392 1262 E HA 0.115 4.465 4.350 0.000 0.000 0.259 1262 E C -0.507 176.133 176.600 0.067 0.000 1.108 1262 E CA -0.114 56.345 56.400 0.098 0.000 0.916 1262 E CB 0.547 30.282 29.700 0.059 0.000 0.989 1262 E HN 0.383 nan 8.360 nan 0.000 0.432 1263 T N 2.948 117.528 114.554 0.044 0.000 2.738 1263 T HA 0.347 4.697 4.350 0.000 0.000 0.298 1263 T C 0.705 175.407 174.700 0.004 0.000 0.962 1263 T CA -0.573 61.543 62.100 0.026 0.000 0.972 1263 T CB -0.356 68.527 68.868 0.024 0.000 0.928 1263 T HN 0.343 nan 8.240 nan 0.000 0.474 1264 I N 0.000 120.562 120.570 -0.013 0.000 2.984 1264 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1264 I CA 0.000 61.278 61.300 -0.036 0.000 1.566 1264 I CB 0.000 37.957 38.000 -0.071 0.000 1.214 1264 I HN 0.000 nan 8.210 nan 0.000 0.494