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 3khr_1_B DATA FIRST_RESID 1001 DATA SEQUENCE GIVLFVDFDY FYAQVEEVLN PSLKGKPVVV CVFSGRFEDS GAVATANYEA DATA SEQUENCE RKFGVKAGIP IVEAKKILPN AVYLPMRKEV YQQVSSRIMN LLREYSEKIE DATA SEQUENCE IASIDEAYLD ISDKVRDYRE AYNLGLEIKN KILEKEKITV TVGISKNKVF DATA SEQUENCE AKIAADMAKP NGIKVIDDEE VKRLIRELDI ADVPGIGNIT AEKLKKLGIN DATA SEQUENCE KLVDTLSIEF DKLKGMIGEA KAKYLISLAR DEYNEPIRTR VRKSIGRIVT DATA SEQUENCE MKRNSRNLEE IKPYLFRAIE ESYYKLDKRI PKAIHVVAVT EDLDIVSRGR DATA SEQUENCE TFPHGISKET AYSESVKLLQ KILEEDERKI RRIGVRFSKF I VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 G HA2 0.000 nan 3.960 nan 0.000 0.244 1001 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 1001 G C 0.000 174.920 174.900 0.033 0.000 0.946 1001 G CA 0.000 45.110 45.100 0.016 0.000 0.502 1002 I N 0.883 121.482 120.570 0.049 0.000 2.447 1002 I HA 0.459 4.628 4.170 -0.001 0.000 0.287 1002 I C -0.448 175.764 176.117 0.159 0.000 1.023 1002 I CA -1.094 60.271 61.300 0.109 0.000 1.083 1002 I CB 2.181 40.206 38.000 0.042 0.000 1.245 1002 I HN 0.209 nan 8.210 nan 0.000 0.434 1003 V N 7.036 127.081 119.914 0.218 0.000 2.417 1003 V HA 0.432 4.552 4.120 -0.001 0.000 0.291 1003 V C -0.311 175.936 176.094 0.255 0.000 1.024 1003 V CA -0.629 61.813 62.300 0.238 0.000 0.861 1003 V CB 2.224 34.209 31.823 0.271 0.000 0.985 1003 V HN 0.507 nan 8.190 nan 0.000 0.436 1004 L N 5.509 126.870 121.223 0.229 0.000 2.305 1004 L HA 0.654 4.993 4.340 -0.001 0.000 0.284 1004 L C -1.206 175.787 176.870 0.205 0.000 1.013 1004 L CA -0.456 54.496 54.840 0.187 0.000 0.819 1004 L CB 1.236 43.362 42.059 0.112 0.000 1.227 1004 L HN 0.650 nan 8.230 nan 0.000 0.417 1005 F N 5.774 125.721 119.950 -0.005 0.000 2.458 1005 F HA 0.676 5.203 4.527 -0.001 0.000 0.336 1005 F C -1.103 174.603 175.800 -0.157 0.000 1.114 1005 F CA -0.586 57.310 58.000 -0.173 0.000 0.987 1005 F CB 1.614 40.470 39.000 -0.241 0.000 1.130 1005 F HN 0.108 nan 8.300 nan 0.000 0.458 1006 V N 5.186 124.573 119.914 -0.877 0.000 2.495 1006 V HA 0.389 4.509 4.120 -0.001 0.000 0.298 1006 V C -1.217 174.241 176.094 -1.060 0.000 1.031 1006 V CA -0.683 61.220 62.300 -0.661 0.000 0.871 1006 V CB 1.619 33.273 31.823 -0.282 0.000 0.988 1006 V HN 0.712 nan 8.190 nan 0.000 0.432 1007 D N 3.889 123.885 120.400 -0.674 0.000 2.575 1007 D HA 0.368 5.007 4.640 -0.001 0.000 0.250 1007 D C -0.933 175.263 176.300 -0.175 0.000 1.279 1007 D CA -0.403 53.248 54.000 -0.582 0.000 0.925 1007 D CB 1.217 41.807 40.800 -0.350 0.000 1.261 1007 D HN 0.132 nan 8.370 nan 0.000 0.567 1008 F N 1.535 121.310 119.950 -0.292 0.000 2.471 1008 F HA 0.231 4.757 4.527 -0.001 0.000 0.353 1008 F C 1.219 176.975 175.800 -0.072 0.000 1.113 1008 F CA -0.683 57.181 58.000 -0.227 0.000 1.262 1008 F CB 0.233 38.976 39.000 -0.429 0.000 1.146 1008 F HN 0.139 nan 8.300 nan 0.000 0.578 1009 D N 2.254 122.756 120.400 0.170 0.000 2.351 1009 D HA 0.062 4.701 4.640 -0.001 0.000 0.251 1009 D C 0.313 176.602 176.300 -0.017 0.000 1.137 1009 D CA -0.021 54.102 54.000 0.205 0.000 0.879 1009 D CB 0.147 41.152 40.800 0.341 0.000 1.181 1009 D HN 0.653 nan 8.370 nan 0.000 0.448 1010 Y N -0.039 120.256 120.300 -0.007 0.000 2.950 1010 Y HA -0.367 4.182 4.550 -0.001 0.000 0.214 1010 Y C 0.692 176.572 175.900 -0.034 0.000 1.153 1010 Y CA -0.409 57.598 58.100 -0.154 0.000 0.966 1010 Y CB -2.348 35.783 38.460 -0.547 0.000 1.195 1010 Y HN 0.296 nan 8.280 nan 0.000 0.507 1011 F N 1.486 121.339 119.950 -0.161 0.000 2.027 1011 F HA -0.305 4.222 4.527 -0.001 0.000 0.297 1011 F C 2.152 177.880 175.800 -0.120 0.000 1.129 1011 F CA 2.090 60.021 58.000 -0.114 0.000 1.195 1011 F CB -0.759 38.284 39.000 0.072 0.000 0.960 1011 F HN 0.361 nan 8.300 nan 0.000 0.485 1012 Y N 0.258 120.187 120.300 -0.618 0.000 2.181 1012 Y HA -0.084 4.465 4.550 -0.001 0.000 0.288 1012 Y C 2.682 178.145 175.900 -0.729 0.000 1.146 1012 Y CA 0.758 58.175 58.100 -1.137 0.000 1.164 1012 Y CB -1.831 36.058 38.460 -0.951 0.000 0.982 1012 Y HN 0.182 nan 8.280 nan 0.000 0.515 1013 A N -0.371 122.332 122.820 -0.196 0.000 1.969 1013 A HA -0.207 4.112 4.320 -0.001 0.000 0.218 1013 A C 2.298 179.829 177.584 -0.089 0.000 1.169 1013 A CA 1.495 53.491 52.037 -0.069 0.000 0.635 1013 A CB -0.703 18.333 19.000 0.060 0.000 0.810 1013 A HN 0.510 nan 8.150 nan 0.000 0.445 1014 Q N -0.201 119.412 119.800 -0.311 0.000 2.046 1014 Q HA -0.123 4.216 4.340 -0.001 0.000 0.200 1014 Q C 2.009 177.853 176.000 -0.260 0.000 0.975 1014 Q CA 1.869 57.395 55.803 -0.461 0.000 0.836 1014 Q CB -0.195 27.962 28.738 -0.968 0.000 0.896 1014 Q HN 0.425 nan 8.270 nan 0.000 0.428 1015 V N 1.674 121.392 119.914 -0.327 0.000 2.287 1015 V HA -0.274 3.845 4.120 -0.001 0.000 0.248 1015 V C 2.264 178.306 176.094 -0.087 0.000 1.053 1015 V CA 2.009 64.180 62.300 -0.216 0.000 1.027 1015 V CB -0.630 31.016 31.823 -0.296 0.000 0.646 1015 V HN 0.390 nan 8.190 nan 0.000 0.447 1016 E N 0.141 120.299 120.200 -0.071 0.000 2.085 1016 E HA -0.254 4.095 4.350 -0.001 0.000 0.194 1016 E C 2.194 178.792 176.600 -0.004 0.000 0.994 1016 E CA 1.536 57.937 56.400 0.002 0.000 0.801 1016 E CB -0.287 29.426 29.700 0.023 0.000 0.743 1016 E HN 0.722 nan 8.360 nan 0.000 0.453 1017 E N 0.394 120.587 120.200 -0.011 0.000 2.110 1017 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 1017 E C 2.253 178.854 176.600 0.001 0.000 0.988 1017 E CA 0.885 57.292 56.400 0.011 0.000 0.804 1017 E CB 0.046 29.775 29.700 0.049 0.000 0.745 1017 E HN 0.030 nan 8.360 nan 0.000 0.458 1018 V N 1.174 121.076 119.914 -0.020 0.000 2.358 1018 V HA -0.229 3.891 4.120 -0.001 0.000 0.246 1018 V C 2.169 178.257 176.094 -0.010 0.000 1.047 1018 V CA 1.173 63.462 62.300 -0.019 0.000 1.035 1018 V CB -0.293 31.509 31.823 -0.036 0.000 0.658 1018 V HN 0.228 nan 8.190 nan 0.000 0.452 1019 L N 0.030 121.247 121.223 -0.010 0.000 2.056 1019 L HA 0.024 4.363 4.340 -0.001 0.000 0.207 1019 L C 1.217 178.088 176.870 0.001 0.000 1.078 1019 L CA 1.576 56.414 54.840 -0.004 0.000 0.749 1019 L CB -0.980 41.079 42.059 -0.001 0.000 0.901 1019 L HN 0.402 nan 8.230 nan 0.000 0.433 1020 N N -0.110 118.593 118.700 0.005 0.000 2.696 1020 N HA 0.172 4.911 4.740 -0.001 0.000 0.246 1020 N C -1.941 173.575 175.510 0.009 0.000 1.057 1020 N CA -1.922 51.133 53.050 0.008 0.000 0.867 1020 N CB 1.518 40.012 38.487 0.012 0.000 1.141 1020 N HN -0.060 nan 8.380 nan 0.000 0.517 1021 P HA -0.091 nan 4.420 nan 0.000 0.219 1021 P C 0.911 178.218 177.300 0.011 0.000 1.146 1021 P CA 0.860 63.966 63.100 0.010 0.000 0.808 1021 P CB 0.396 32.101 31.700 0.008 0.000 0.779 1022 S N -0.535 115.171 115.700 0.010 0.000 2.465 1022 S HA -0.084 4.385 4.470 -0.001 0.000 0.241 1022 S C 1.704 176.310 174.600 0.010 0.000 1.000 1022 S CA 0.845 59.051 58.200 0.010 0.000 0.964 1022 S CB -0.600 62.606 63.200 0.010 0.000 0.763 1022 S HN 0.070 nan 8.310 nan 0.000 0.512 1023 L N 0.834 122.063 121.223 0.011 0.000 2.202 1023 L HA 0.260 4.600 4.340 -0.001 0.000 0.205 1023 L C 1.027 177.903 176.870 0.010 0.000 1.083 1023 L CA 0.874 55.719 54.840 0.009 0.000 0.790 1023 L CB -0.658 41.407 42.059 0.011 0.000 0.942 1023 L HN 0.076 nan 8.230 nan 0.000 0.452 1024 K N -0.071 120.340 120.400 0.018 0.000 2.511 1024 K HA 0.214 4.533 4.320 -0.001 0.000 0.280 1024 K C 1.093 177.702 176.600 0.015 0.000 1.008 1024 K CA 1.060 57.360 56.287 0.023 0.000 1.050 1024 K CB -0.050 32.467 32.500 0.028 0.000 0.889 1024 K HN 0.365 nan 8.250 nan 0.000 0.484 1025 G N 2.729 111.536 108.800 0.012 0.000 2.195 1025 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.224 1025 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.224 1025 G C -0.494 174.409 174.900 0.006 0.000 0.990 1025 G CA 0.364 45.470 45.100 0.010 0.000 0.639 1025 G HN 0.583 nan 8.290 nan 0.000 0.514 1026 K N -0.117 120.281 120.400 -0.004 0.000 2.400 1026 K HA 0.685 5.004 4.320 -0.001 0.000 0.246 1026 K C -3.424 173.157 176.600 -0.031 0.000 0.995 1026 K CA -2.341 53.938 56.287 -0.013 0.000 0.840 1026 K CB 2.006 34.495 32.500 -0.017 0.000 1.293 1026 K HN -0.010 nan 8.250 nan 0.000 0.445 1027 P HA 0.152 nan 4.420 nan 0.000 0.271 1027 P C -0.800 176.425 177.300 -0.125 0.000 1.226 1027 P CA -0.367 62.692 63.100 -0.069 0.000 0.765 1027 P CB 0.694 32.348 31.700 -0.077 0.000 0.835 1028 V N 5.035 124.875 119.914 -0.123 0.000 2.540 1028 V HA 0.378 4.497 4.120 -0.001 0.000 0.302 1028 V C -0.108 175.886 176.094 -0.167 0.000 1.035 1028 V CA -0.620 61.596 62.300 -0.139 0.000 0.873 1028 V CB 2.331 34.118 31.823 -0.060 0.000 0.992 1028 V HN 0.195 nan 8.190 nan 0.000 0.428 1029 V N 5.291 125.054 119.914 -0.253 0.000 2.483 1029 V HA 0.447 4.566 4.120 -0.001 0.000 0.297 1029 V C -0.258 175.799 176.094 -0.063 0.000 1.027 1029 V CA -0.692 61.489 62.300 -0.199 0.000 0.855 1029 V CB 1.972 33.566 31.823 -0.381 0.000 0.995 1029 V HN 0.589 nan 8.190 nan 0.000 0.424 1030 V N 3.887 123.798 119.914 -0.004 0.000 2.383 1030 V HA 0.362 4.481 4.120 -0.001 0.000 0.275 1030 V C 0.031 176.140 176.094 0.024 0.000 1.036 1030 V CA -0.218 62.115 62.300 0.057 0.000 0.889 1030 V CB 1.221 33.104 31.823 0.101 0.000 0.985 1030 V HN 1.002 nan 8.190 nan 0.000 0.459 1031 C N 4.646 123.921 119.300 -0.040 0.000 2.417 1031 C HA 0.588 5.047 4.460 -0.001 0.000 0.324 1031 C C 0.254 175.033 174.990 -0.352 0.000 1.240 1031 C CA -0.866 57.963 59.018 -0.315 0.000 1.632 1031 C CB 1.474 28.748 27.740 -0.776 0.000 2.241 1031 C HN 0.618 nan 8.230 nan 0.000 0.499 1032 V N 3.730 123.464 119.914 -0.299 0.000 2.304 1032 V HA 0.248 4.367 4.120 -0.001 0.000 0.262 1032 V C -0.395 175.556 176.094 -0.238 0.000 1.061 1032 V CA -0.041 62.162 62.300 -0.161 0.000 0.872 1032 V CB -0.664 31.136 31.823 -0.038 0.000 1.077 1032 V HN 0.667 nan 8.190 nan 0.000 0.480 1033 F N 2.999 122.956 119.950 0.012 0.000 2.438 1033 F HA 0.211 4.737 4.527 -0.001 0.000 0.356 1033 F C 1.706 177.479 175.800 -0.046 0.000 1.099 1033 F CA 0.024 58.004 58.000 -0.033 0.000 1.185 1033 F CB 1.467 40.451 39.000 -0.027 0.000 1.115 1033 F HN 0.559 nan 8.300 nan 0.000 0.526 1034 S N 1.382 117.120 115.700 0.064 0.000 2.528 1034 S HA 0.219 4.688 4.470 -0.001 0.000 0.219 1034 S C 1.717 176.322 174.600 0.009 0.000 0.985 1034 S CA 0.286 58.491 58.200 0.008 0.000 0.914 1034 S CB -0.209 62.955 63.200 -0.059 0.000 0.776 1034 S HN 1.223 nan 8.310 nan 0.000 0.526 1035 G N 1.697 110.496 108.800 -0.001 0.000 2.162 1035 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.260 1035 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.260 1035 G C 1.046 175.939 174.900 -0.011 0.000 0.976 1035 G CA 0.433 45.534 45.100 0.002 0.000 0.655 1035 G HN 0.405 nan 8.290 nan 0.000 0.533 1036 R N -0.487 119.959 120.500 -0.089 0.000 2.070 1036 R HA 0.119 4.458 4.340 -0.001 0.000 0.232 1036 R C 1.351 177.712 176.300 0.101 0.000 1.138 1036 R CA 2.201 58.286 56.100 -0.025 0.000 0.936 1036 R CB -0.382 29.842 30.300 -0.127 0.000 0.839 1036 R HN 0.901 nan 8.270 nan 0.000 0.429 1037 F N -2.288 117.690 119.950 0.047 0.000 2.923 1037 F HA 0.357 4.883 4.527 -0.001 0.000 0.323 1037 F C -0.699 175.122 175.800 0.036 0.000 1.189 1037 F CA -1.552 56.468 58.000 0.032 0.000 0.930 1037 F CB 0.561 39.575 39.000 0.024 0.000 1.414 1037 F HN -0.203 nan 8.300 nan 0.000 0.496 1038 E N 1.019 121.410 120.200 0.319 0.000 2.493 1038 E HA 0.106 4.455 4.350 -0.001 0.000 0.255 1038 E C -0.658 176.058 176.600 0.192 0.000 0.999 1038 E CA 0.865 57.363 56.400 0.164 0.000 0.934 1038 E CB -0.215 29.565 29.700 0.134 0.000 0.940 1038 E HN 0.650 nan 8.360 nan 0.000 0.473 1039 D N 1.951 122.408 120.400 0.094 0.000 3.090 1039 D HA -0.176 4.463 4.640 -0.001 0.000 0.215 1039 D C -0.469 175.836 176.300 0.007 0.000 1.140 1039 D CA 1.316 55.430 54.000 0.191 0.000 0.937 1039 D CB -1.736 39.160 40.800 0.160 0.000 1.108 1039 D HN 0.486 nan 8.370 nan 0.000 0.420 1040 S N -0.543 114.909 115.700 -0.413 0.000 2.576 1040 S HA 0.612 5.081 4.470 -0.001 0.000 0.276 1040 S C 0.936 175.400 174.600 -0.227 0.000 1.339 1040 S CA 0.562 58.363 58.200 -0.665 0.000 1.039 1040 S CB 2.385 64.750 63.200 -1.392 0.000 0.902 1040 S HN 1.061 nan 8.310 nan 0.000 0.516 1041 G N 0.613 109.314 108.800 -0.164 0.000 2.298 1041 G HA2 0.523 4.482 3.960 -0.001 0.000 0.309 1041 G HA3 0.523 4.482 3.960 -0.001 0.000 0.309 1041 G C -0.847 173.989 174.900 -0.106 0.000 1.279 1041 G CA -0.256 44.770 45.100 -0.123 0.000 1.042 1041 G HN 1.805 nan 8.290 nan 0.000 0.480 1042 A N -1.525 121.223 122.820 -0.120 0.000 2.527 1042 A HA 0.869 5.188 4.320 -0.001 0.000 0.293 1042 A C -0.377 177.150 177.584 -0.095 0.000 1.117 1042 A CA -0.095 51.896 52.037 -0.077 0.000 0.723 1042 A CB 1.725 20.703 19.000 -0.038 0.000 1.313 1042 A HN 1.899 nan 8.150 nan 0.000 0.411 1043 V N 1.718 121.604 119.914 -0.047 0.000 2.508 1043 V HA 0.369 4.489 4.120 -0.001 0.000 0.281 1043 V C 1.423 177.505 176.094 -0.020 0.000 1.041 1043 V CA 0.741 63.024 62.300 -0.029 0.000 1.016 1043 V CB 0.664 32.493 31.823 0.010 0.000 0.984 1043 V HN 1.197 nan 8.190 nan 0.000 0.478 1044 A N 4.169 126.984 122.820 -0.007 0.000 1.878 1044 A HA 0.234 4.554 4.320 -0.001 0.000 0.213 1044 A C 1.121 178.659 177.584 -0.076 0.000 1.192 1044 A CA 1.494 53.529 52.037 -0.003 0.000 0.619 1044 A CB 0.182 19.254 19.000 0.120 0.000 0.837 1044 A HN 0.756 nan 8.150 nan 0.000 0.446 1045 T N -3.597 110.923 114.554 -0.057 0.000 2.677 1045 T HA 0.569 4.918 4.350 -0.001 0.000 0.305 1045 T C -1.863 172.817 174.700 -0.034 0.000 1.569 1045 T CA 0.180 62.239 62.100 -0.069 0.000 0.984 1045 T CB 1.288 70.072 68.868 -0.140 0.000 1.629 1045 T HN 1.246 nan 8.240 nan 0.000 0.494 1046 A N 1.955 124.760 122.820 -0.027 0.000 2.572 1046 A HA 0.753 5.072 4.320 -0.001 0.000 0.295 1046 A C -0.614 176.934 177.584 -0.061 0.000 1.072 1046 A CA -0.808 51.206 52.037 -0.037 0.000 0.691 1046 A CB 1.285 20.270 19.000 -0.025 0.000 1.291 1046 A HN 0.996 nan 8.150 nan 0.000 0.404 1047 N N 0.089 118.724 118.700 -0.108 0.000 2.317 1047 N HA 0.129 4.868 4.740 -0.001 0.000 0.245 1047 N C 0.453 175.797 175.510 -0.276 0.000 1.294 1047 N CA 0.250 53.106 53.050 -0.323 0.000 0.924 1047 N CB -0.146 38.153 38.487 -0.314 0.000 1.186 1047 N HN 0.682 nan 8.380 nan 0.000 0.495 1048 Y N -1.045 119.051 120.300 -0.340 0.000 2.333 1048 Y HA -0.155 4.395 4.550 -0.001 0.000 0.290 1048 Y C 1.877 177.707 175.900 -0.117 0.000 1.144 1048 Y CA 0.777 58.750 58.100 -0.212 0.000 1.228 1048 Y CB -0.001 38.307 38.460 -0.253 0.000 0.985 1048 Y HN 0.557 nan 8.280 nan 0.000 0.542 1049 E N 0.768 120.989 120.200 0.035 0.000 2.023 1049 E HA -0.248 4.101 4.350 -0.001 0.000 0.196 1049 E C 2.419 179.128 176.600 0.182 0.000 1.003 1049 E CA 1.434 57.889 56.400 0.091 0.000 0.809 1049 E CB -0.468 29.273 29.700 0.067 0.000 0.755 1049 E HN 0.418 nan 8.360 nan 0.000 0.449 1050 A N 0.957 123.847 122.820 0.116 0.000 1.940 1050 A HA -0.237 4.082 4.320 -0.001 0.000 0.219 1050 A C 2.038 179.731 177.584 0.183 0.000 1.176 1050 A CA 1.703 53.828 52.037 0.147 0.000 0.631 1050 A CB -0.453 18.552 19.000 0.009 0.000 0.814 1050 A HN 0.089 nan 8.150 nan 0.000 0.446 1051 R N -0.204 120.362 120.500 0.111 0.000 2.115 1051 R HA -0.068 4.271 4.340 -0.001 0.000 0.230 1051 R C 1.921 178.235 176.300 0.025 0.000 1.111 1051 R CA 1.227 57.375 56.100 0.081 0.000 0.976 1051 R CB -0.251 30.106 30.300 0.096 0.000 0.870 1051 R HN 0.507 nan 8.270 nan 0.000 0.445 1052 K N 0.068 120.440 120.400 -0.047 0.000 2.218 1052 K HA -0.158 4.162 4.320 -0.001 0.000 0.205 1052 K C 1.240 177.616 176.600 -0.373 0.000 1.046 1052 K CA 1.310 57.437 56.287 -0.267 0.000 0.933 1052 K CB -0.118 32.113 32.500 -0.448 0.000 0.728 1052 K HN 0.211 nan 8.250 nan 0.000 0.454 1053 F N -0.199 119.756 119.950 0.007 0.000 2.693 1053 F HA 0.207 4.734 4.527 -0.001 0.000 0.303 1053 F C 1.379 177.189 175.800 0.016 0.000 1.097 1053 F CA 0.294 58.301 58.000 0.011 0.000 1.330 1053 F CB 0.653 39.661 39.000 0.014 0.000 1.067 1053 F HN 0.186 nan 8.300 nan 0.000 0.565 1054 G N 0.268 109.141 108.800 0.123 0.000 2.157 1054 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 1054 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 1054 G C -0.083 174.871 174.900 0.091 0.000 0.982 1054 G CA -0.039 45.113 45.100 0.085 0.000 0.650 1054 G HN 0.105 nan 8.290 nan 0.000 0.527 1055 V N 2.720 122.701 119.914 0.112 0.000 2.408 1055 V HA 0.589 4.708 4.120 -0.001 0.000 0.267 1055 V C 0.594 176.725 176.094 0.062 0.000 1.047 1055 V CA 0.660 63.014 62.300 0.090 0.000 0.937 1055 V CB 0.943 32.822 31.823 0.094 0.000 0.999 1055 V HN 0.646 nan 8.190 nan 0.000 0.472 1056 K N 3.643 124.071 120.400 0.047 0.000 2.522 1056 K HA 0.827 5.146 4.320 -0.001 0.000 0.275 1056 K C -0.562 176.049 176.600 0.018 0.000 1.006 1056 K CA -0.954 55.352 56.287 0.032 0.000 0.890 1056 K CB 2.060 34.578 32.500 0.031 0.000 1.475 1056 K HN 0.514 nan 8.250 nan 0.000 0.441 1057 A N 0.237 123.059 122.820 0.005 0.000 2.580 1057 A HA 0.370 4.689 4.320 -0.001 0.000 0.244 1057 A C 1.285 178.867 177.584 -0.002 0.000 1.045 1057 A CA 1.469 53.501 52.037 -0.010 0.000 0.761 1057 A CB -1.370 17.615 19.000 -0.025 0.000 0.962 1057 A HN 1.448 nan 8.150 nan 0.000 0.512 1058 G N 1.488 110.285 108.800 -0.004 0.000 2.254 1058 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.225 1058 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.225 1058 G C 0.441 175.344 174.900 0.004 0.000 1.003 1058 G CA 0.194 45.294 45.100 -0.001 0.000 0.622 1058 G HN 2.008 nan 8.290 nan 0.000 0.507 1059 I N 0.256 120.833 120.570 0.012 0.000 2.696 1059 I HA 0.616 4.785 4.170 -0.001 0.000 0.284 1059 I C -2.078 174.048 176.117 0.016 0.000 1.129 1059 I CA -2.057 59.255 61.300 0.020 0.000 1.410 1059 I CB 0.571 38.592 38.000 0.033 0.000 1.399 1059 I HN -0.083 nan 8.210 nan 0.000 0.579 1060 P HA 0.142 nan 4.420 nan 0.000 0.266 1060 P C 0.625 177.935 177.300 0.017 0.000 1.195 1060 P CA 0.122 63.232 63.100 0.017 0.000 0.768 1060 P CB 0.652 32.374 31.700 0.036 0.000 0.838 1061 I N 2.565 123.127 120.570 -0.012 0.000 2.163 1061 I HA -0.256 3.913 4.170 -0.001 0.000 0.243 1061 I C 2.237 178.345 176.117 -0.015 0.000 1.085 1061 I CA 1.628 62.913 61.300 -0.024 0.000 1.347 1061 I CB -0.654 37.290 38.000 -0.093 0.000 1.044 1061 I HN 0.246 nan 8.210 nan 0.000 0.408 1062 V N -1.480 118.447 119.914 0.021 0.000 2.332 1062 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 1062 V C 2.333 178.443 176.094 0.026 0.000 1.055 1062 V CA 1.991 64.311 62.300 0.034 0.000 1.038 1062 V CB -0.839 31.042 31.823 0.097 0.000 0.651 1062 V HN 0.446 nan 8.190 nan 0.000 0.450 1063 E N 0.934 121.157 120.200 0.039 0.000 2.072 1063 E HA -0.156 4.193 4.350 -0.001 0.000 0.191 1063 E C 2.309 178.945 176.600 0.060 0.000 0.985 1063 E CA 1.607 58.034 56.400 0.045 0.000 0.801 1063 E CB -0.237 29.490 29.700 0.045 0.000 0.750 1063 E HN 0.702 nan 8.360 nan 0.000 0.452 1064 A N 1.410 124.278 122.820 0.079 0.000 1.902 1064 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 1064 A C 2.099 179.784 177.584 0.167 0.000 1.181 1064 A CA 1.560 53.685 52.037 0.148 0.000 0.623 1064 A CB -0.325 18.817 19.000 0.237 0.000 0.818 1064 A HN 0.127 nan 8.150 nan 0.000 0.443 1065 K N -0.193 120.232 120.400 0.041 0.000 2.147 1065 K HA -0.117 4.203 4.320 -0.001 0.000 0.205 1065 K C 2.026 178.638 176.600 0.020 0.000 1.049 1065 K CA 1.324 57.589 56.287 -0.037 0.000 0.936 1065 K CB -0.140 32.230 32.500 -0.218 0.000 0.722 1065 K HN 0.422 nan 8.250 nan 0.000 0.446 1066 K N 0.749 121.164 120.400 0.025 0.000 2.020 1066 K HA -0.175 4.144 4.320 -0.001 0.000 0.212 1066 K C 2.105 178.726 176.600 0.035 0.000 1.050 1066 K CA 1.649 57.953 56.287 0.027 0.000 0.929 1066 K CB -0.217 32.301 32.500 0.031 0.000 0.714 1066 K HN 0.099 nan 8.250 nan 0.000 0.443 1067 I N 0.528 121.131 120.570 0.054 0.000 2.162 1067 I HA -0.181 3.989 4.170 -0.001 0.000 0.238 1067 I C 0.917 177.039 176.117 0.008 0.000 1.076 1067 I CA 0.967 62.297 61.300 0.051 0.000 1.353 1067 I CB 0.073 38.126 38.000 0.087 0.000 1.063 1067 I HN 0.012 nan 8.210 nan 0.000 0.408 1068 L N 2.275 123.524 121.223 0.043 0.000 2.435 1068 L HA 0.261 4.600 4.340 -0.001 0.000 0.253 1068 L C -1.650 175.298 176.870 0.131 0.000 1.087 1068 L CA -1.246 53.594 54.840 -0.000 0.000 0.950 1068 L CB 0.847 42.875 42.059 -0.052 0.000 1.304 1068 L HN -0.029 nan 8.230 nan 0.000 0.453 1069 P HA -0.099 nan 4.420 nan 0.000 0.221 1069 P C 0.544 177.927 177.300 0.138 0.000 1.150 1069 P CA 1.225 64.383 63.100 0.097 0.000 0.800 1069 P CB 0.281 31.999 31.700 0.031 0.000 0.787 1070 N N -0.433 118.311 118.700 0.072 0.000 2.336 1070 N HA 0.173 4.912 4.740 -0.001 0.000 0.189 1070 N C 0.733 176.269 175.510 0.043 0.000 1.113 1070 N CA -0.353 52.728 53.050 0.051 0.000 0.858 1070 N CB -0.036 38.450 38.487 -0.002 0.000 0.970 1070 N HN 0.097 nan 8.380 nan 0.000 0.471 1071 A N 0.758 123.599 122.820 0.035 0.000 2.492 1071 A HA 0.168 4.487 4.320 -0.001 0.000 0.236 1071 A C 0.329 177.835 177.584 -0.130 0.000 1.078 1071 A CA -0.099 51.859 52.037 -0.132 0.000 0.773 1071 A CB 0.347 19.136 19.000 -0.351 0.000 1.023 1071 A HN 0.014 nan 8.150 nan 0.000 0.504 1072 V N 2.037 121.835 119.914 -0.194 0.000 2.432 1072 V HA 0.192 4.311 4.120 -0.001 0.000 0.271 1072 V C -0.850 175.113 176.094 -0.219 0.000 1.046 1072 V CA 0.248 62.492 62.300 -0.092 0.000 0.945 1072 V CB -0.271 31.525 31.823 -0.045 0.000 0.992 1072 V HN 0.637 nan 8.190 nan 0.000 0.471 1073 Y N 5.693 126.040 120.300 0.078 0.000 2.342 1073 Y HA 0.621 5.171 4.550 -0.001 0.000 0.338 1073 Y C 0.102 176.102 175.900 0.166 0.000 0.965 1073 Y CA -0.485 57.687 58.100 0.121 0.000 1.159 1073 Y CB 1.273 39.832 38.460 0.164 0.000 1.157 1073 Y HN 0.435 nan 8.280 nan 0.000 0.486 1074 L N 6.423 127.795 121.223 0.249 0.000 2.346 1074 L HA 0.570 4.909 4.340 -0.001 0.000 0.274 1074 L C -2.460 174.602 176.870 0.320 0.000 1.007 1074 L CA -2.452 52.532 54.840 0.240 0.000 0.818 1074 L CB 2.133 44.278 42.059 0.143 0.000 1.284 1074 L HN 0.371 nan 8.230 nan 0.000 0.424 1075 P HA 0.048 nan 4.420 nan 0.000 0.276 1075 P C -0.509 176.929 177.300 0.230 0.000 1.230 1075 P CA -0.428 62.922 63.100 0.416 0.000 0.776 1075 P CB 0.882 32.803 31.700 0.368 0.000 0.888 1076 M N 4.255 123.973 119.600 0.196 0.000 2.284 1076 M HA -0.005 4.475 4.480 -0.001 0.000 0.351 1076 M C 0.219 176.541 176.300 0.037 0.000 1.443 1076 M CA 0.765 56.189 55.300 0.206 0.000 1.031 1076 M CB -0.026 32.700 32.600 0.209 0.000 1.893 1076 M HN 0.242 nan 8.290 nan 0.000 0.456 1077 R N 4.693 125.074 120.500 -0.198 0.000 2.505 1077 R HA 0.155 4.495 4.340 -0.001 0.000 0.284 1077 R C 0.477 176.188 176.300 -0.983 0.000 1.324 1077 R CA -0.329 55.482 56.100 -0.483 0.000 1.432 1077 R CB 0.572 30.610 30.300 -0.437 0.000 1.107 1077 R HN 0.766 nan 8.270 nan 0.000 0.587 1078 K N 1.369 121.448 120.400 -0.535 0.000 2.147 1078 K HA -0.191 4.129 4.320 -0.001 0.000 0.205 1078 K C 0.711 177.074 176.600 -0.396 0.000 1.049 1078 K CA 1.628 57.637 56.287 -0.463 0.000 0.936 1078 K CB 0.456 32.892 32.500 -0.108 0.000 0.722 1078 K HN 0.297 nan 8.250 nan 0.000 0.446 1079 E N 0.103 120.118 120.200 -0.307 0.000 2.118 1079 E HA -0.171 4.179 4.350 -0.001 0.000 0.195 1079 E C 1.888 178.355 176.600 -0.222 0.000 0.992 1079 E CA 1.227 57.512 56.400 -0.191 0.000 0.804 1079 E CB -0.380 29.237 29.700 -0.138 0.000 0.741 1079 E HN 0.050 nan 8.360 nan 0.000 0.458 1080 V N 0.635 120.316 119.914 -0.388 0.000 2.261 1080 V HA -0.276 3.843 4.120 -0.001 0.000 0.246 1080 V C 1.931 177.890 176.094 -0.225 0.000 1.047 1080 V CA 1.880 63.982 62.300 -0.330 0.000 1.015 1080 V CB -0.754 30.820 31.823 -0.415 0.000 0.642 1080 V HN 0.235 nan 8.190 nan 0.000 0.446 1081 Y N 0.383 120.553 120.300 -0.216 0.000 2.274 1081 Y HA -0.189 4.360 4.550 -0.001 0.000 0.290 1081 Y C 2.565 178.514 175.900 0.082 0.000 1.145 1081 Y CA 1.180 59.141 58.100 -0.231 0.000 1.203 1081 Y CB -1.155 36.952 38.460 -0.589 0.000 0.984 1081 Y HN 0.280 nan 8.280 nan 0.000 0.533 1082 Q N 0.733 120.612 119.800 0.131 0.000 2.119 1082 Q HA -0.171 4.168 4.340 -0.001 0.000 0.201 1082 Q C 1.963 178.049 176.000 0.142 0.000 0.972 1082 Q CA 1.756 57.659 55.803 0.168 0.000 0.847 1082 Q CB -0.233 28.561 28.738 0.093 0.000 0.903 1082 Q HN 0.586 nan 8.270 nan 0.000 0.433 1083 Q N -0.842 119.004 119.800 0.077 0.000 2.050 1083 Q HA -0.129 4.210 4.340 -0.001 0.000 0.202 1083 Q C 2.140 178.204 176.000 0.107 0.000 0.980 1083 Q CA 1.788 57.632 55.803 0.067 0.000 0.840 1083 Q CB -0.152 28.599 28.738 0.022 0.000 0.898 1083 Q HN 0.271 nan 8.270 nan 0.000 0.424 1084 V N 0.722 120.724 119.914 0.147 0.000 2.287 1084 V HA -0.295 3.824 4.120 -0.001 0.000 0.248 1084 V C 2.425 178.666 176.094 0.244 0.000 1.053 1084 V CA 2.025 64.437 62.300 0.187 0.000 1.027 1084 V CB -0.787 31.185 31.823 0.249 0.000 0.646 1084 V HN 0.389 nan 8.190 nan 0.000 0.447 1085 S N -0.411 115.533 115.700 0.407 0.000 2.359 1085 S HA -0.225 4.244 4.470 -0.001 0.000 0.224 1085 S C 2.223 176.944 174.600 0.201 0.000 1.035 1085 S CA 2.143 60.554 58.200 0.352 0.000 1.018 1085 S CB -0.357 63.088 63.200 0.409 0.000 0.876 1085 S HN 0.617 nan 8.310 nan 0.000 0.448 1086 S N 1.286 117.080 115.700 0.158 0.000 2.383 1086 S HA -0.033 4.436 4.470 -0.001 0.000 0.229 1086 S C 1.975 176.621 174.600 0.078 0.000 1.030 1086 S CA 1.040 59.302 58.200 0.103 0.000 1.002 1086 S CB -0.313 62.935 63.200 0.081 0.000 0.829 1086 S HN 0.537 nan 8.310 nan 0.000 0.467 1087 R N 0.491 121.032 120.500 0.068 0.000 2.092 1087 R HA 0.054 4.393 4.340 -0.001 0.000 0.231 1087 R C 2.175 178.490 176.300 0.025 0.000 1.119 1087 R CA 1.180 57.303 56.100 0.039 0.000 0.970 1087 R CB -0.483 29.833 30.300 0.027 0.000 0.864 1087 R HN 0.410 nan 8.270 nan 0.000 0.440 1088 I N 0.549 121.125 120.570 0.010 0.000 2.252 1088 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 1088 I C 2.287 178.438 176.117 0.056 0.000 1.102 1088 I CA 0.972 62.248 61.300 -0.039 0.000 1.385 1088 I CB -0.186 37.654 38.000 -0.266 0.000 1.064 1088 I HN 0.105 nan 8.210 nan 0.000 0.414 1089 M N 0.339 120.003 119.600 0.108 0.000 2.149 1089 M HA -0.190 4.289 4.480 -0.001 0.000 0.261 1089 M C 1.970 178.318 176.300 0.079 0.000 1.064 1089 M CA 1.637 57.000 55.300 0.105 0.000 1.102 1089 M CB -1.669 30.988 32.600 0.095 0.000 1.369 1089 M HN 0.268 nan 8.290 nan 0.000 0.408 1090 N N 0.790 119.528 118.700 0.062 0.000 2.104 1090 N HA -0.082 4.657 4.740 -0.001 0.000 0.190 1090 N C 1.928 177.468 175.510 0.050 0.000 1.024 1090 N CA 1.143 54.221 53.050 0.047 0.000 0.853 1090 N CB -0.475 38.032 38.487 0.033 0.000 1.008 1090 N HN 0.393 nan 8.380 nan 0.000 0.424 1091 L N 0.556 121.816 121.223 0.062 0.000 2.046 1091 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 1091 L C 2.196 179.178 176.870 0.187 0.000 1.077 1091 L CA 0.752 55.650 54.840 0.097 0.000 0.747 1091 L CB -0.471 41.643 42.059 0.093 0.000 0.896 1091 L HN 0.120 nan 8.230 nan 0.000 0.432 1092 L N -0.571 120.757 121.223 0.175 0.000 2.191 1092 L HA -0.193 4.146 4.340 -0.001 0.000 0.212 1092 L C 2.744 179.735 176.870 0.202 0.000 1.103 1092 L CA 1.060 56.035 54.840 0.224 0.000 0.769 1092 L CB -0.499 41.637 42.059 0.127 0.000 0.908 1092 L HN 0.231 nan 8.230 nan 0.000 0.438 1093 R N 0.050 120.617 120.500 0.113 0.000 2.152 1093 R HA -0.140 4.199 4.340 -0.001 0.000 0.232 1093 R C 2.062 178.373 176.300 0.017 0.000 1.117 1093 R CA 1.079 57.218 56.100 0.066 0.000 0.981 1093 R CB -0.169 30.155 30.300 0.040 0.000 0.870 1093 R HN 0.470 nan 8.270 nan 0.000 0.451 1094 E N -0.165 120.005 120.200 -0.051 0.000 2.268 1094 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 1094 E C 1.225 177.620 176.600 -0.343 0.000 0.995 1094 E CA 1.221 57.471 56.400 -0.250 0.000 0.836 1094 E CB -0.159 29.266 29.700 -0.459 0.000 0.763 1094 E HN 0.529 nan 8.360 nan 0.000 0.491 1095 Y N 0.379 120.689 120.300 0.017 0.000 2.503 1095 Y HA 0.213 4.762 4.550 -0.001 0.000 0.278 1095 Y C 1.093 177.010 175.900 0.029 0.000 1.111 1095 Y CA 0.177 58.289 58.100 0.021 0.000 1.270 1095 Y CB 0.854 39.325 38.460 0.019 0.000 1.063 1095 Y HN -0.169 nan 8.280 nan 0.000 0.548 1096 S N -1.311 114.471 115.700 0.137 0.000 2.542 1096 S HA 0.259 4.728 4.470 -0.001 0.000 0.276 1096 S C -0.066 174.576 174.600 0.070 0.000 1.148 1096 S CA -0.614 57.645 58.200 0.097 0.000 0.886 1096 S CB 1.141 64.411 63.200 0.117 0.000 1.109 1096 S HN 0.096 nan 8.310 nan 0.000 0.458 1097 E N 2.006 122.236 120.200 0.051 0.000 2.112 1097 E HA 0.103 4.452 4.350 -0.001 0.000 0.190 1097 E C -0.121 176.510 176.600 0.053 0.000 0.979 1097 E CA 0.955 57.381 56.400 0.043 0.000 0.814 1097 E CB 0.108 29.826 29.700 0.029 0.000 0.762 1097 E HN 0.501 nan 8.360 nan 0.000 0.460 1098 K N 1.112 121.548 120.400 0.060 0.000 2.166 1098 K HA 0.207 4.527 4.320 -0.001 0.000 0.273 1098 K C -0.453 176.201 176.600 0.090 0.000 1.095 1098 K CA 0.121 56.448 56.287 0.067 0.000 0.985 1098 K CB 0.221 32.759 32.500 0.062 0.000 1.172 1098 K HN 0.115 nan 8.250 nan 0.000 0.401 1099 I N 1.192 121.817 120.570 0.091 0.000 2.582 1099 I HA 0.189 4.358 4.170 -0.001 0.000 0.292 1099 I C -1.275 174.914 176.117 0.120 0.000 1.066 1099 I CA -0.695 60.674 61.300 0.114 0.000 1.053 1099 I CB 1.921 39.981 38.000 0.100 0.000 1.241 1099 I HN 0.524 nan 8.210 nan 0.000 0.421 1100 E N 7.942 128.245 120.200 0.172 0.000 2.182 1100 E HA 0.409 4.758 4.350 -0.001 0.000 0.258 1100 E C -1.364 175.359 176.600 0.206 0.000 0.879 1100 E CA -0.654 55.855 56.400 0.181 0.000 0.754 1100 E CB 1.256 31.072 29.700 0.192 0.000 1.162 1100 E HN 0.571 nan 8.360 nan 0.000 0.419 1101 I N 4.546 125.194 120.570 0.130 0.000 2.363 1101 I HA 0.149 4.319 4.170 -0.001 0.000 0.292 1101 I C 0.939 177.119 176.117 0.106 0.000 1.075 1101 I CA 0.043 61.395 61.300 0.087 0.000 1.333 1101 I CB 1.341 39.375 38.000 0.056 0.000 1.415 1101 I HN 0.683 nan 8.210 nan 0.000 0.502 1102 A N 4.717 127.607 122.820 0.117 0.000 2.095 1102 A HA 0.239 4.558 4.320 -0.001 0.000 0.212 1102 A C 0.893 178.523 177.584 0.077 0.000 1.162 1102 A CA 0.877 53.009 52.037 0.158 0.000 0.753 1102 A CB 0.054 19.248 19.000 0.323 0.000 0.840 1102 A HN 0.726 nan 8.150 nan 0.000 0.468 1103 S N -2.583 113.121 115.700 0.007 0.000 2.694 1103 S HA 0.337 4.806 4.470 -0.001 0.000 0.273 1103 S C 0.506 175.077 174.600 -0.047 0.000 1.180 1103 S CA 0.133 58.331 58.200 -0.004 0.000 0.864 1103 S CB -0.235 62.956 63.200 -0.016 0.000 1.198 1103 S HN 0.308 nan 8.310 nan 0.000 0.499 1104 I N 1.301 121.873 120.570 0.004 0.000 2.567 1104 I HA -0.055 4.115 4.170 -0.001 0.000 0.257 1104 I C 0.777 176.775 176.117 -0.199 0.000 1.184 1104 I CA 2.140 63.474 61.300 0.057 0.000 1.451 1104 I CB -0.107 38.063 38.000 0.284 0.000 1.089 1104 I HN 0.787 nan 8.210 nan 0.000 0.441 1105 D N -0.538 119.585 120.400 -0.462 0.000 2.636 1105 D HA 0.124 4.763 4.640 -0.001 0.000 0.270 1105 D C -0.367 175.083 176.300 -1.417 0.000 1.430 1105 D CA -0.217 53.020 54.000 -1.272 0.000 0.796 1105 D CB -0.010 40.195 40.800 -0.992 0.000 1.117 1105 D HN 0.329 nan 8.370 nan 0.000 0.480 1106 E N 0.037 119.742 120.200 -0.826 0.000 2.314 1106 E HA 0.748 5.098 4.350 -0.001 0.000 0.272 1106 E C -1.325 175.001 176.600 -0.456 0.000 0.884 1106 E CA -1.165 54.806 56.400 -0.715 0.000 0.753 1106 E CB 2.493 31.998 29.700 -0.325 0.000 1.213 1106 E HN 0.221 nan 8.360 nan 0.000 0.432 1107 A N 2.098 124.611 122.820 -0.511 0.000 2.515 1107 A HA 0.656 4.976 4.320 -0.001 0.000 0.298 1107 A C -1.916 175.556 177.584 -0.188 0.000 1.059 1107 A CA -0.643 51.278 52.037 -0.195 0.000 0.698 1107 A CB 0.837 19.785 19.000 -0.087 0.000 1.289 1107 A HN 0.564 nan 8.150 nan 0.000 0.404 1108 Y N 0.861 121.250 120.300 0.148 0.000 2.331 1108 Y HA 0.585 5.134 4.550 -0.001 0.000 0.338 1108 Y C -0.398 175.578 175.900 0.127 0.000 0.992 1108 Y CA -0.527 57.695 58.100 0.204 0.000 1.121 1108 Y CB 1.627 40.216 38.460 0.215 0.000 1.184 1108 Y HN 0.459 nan 8.280 nan 0.000 0.469 1109 L N 3.800 125.173 121.223 0.251 0.000 2.313 1109 L HA 0.304 4.643 4.340 -0.001 0.000 0.283 1109 L C -0.377 176.602 176.870 0.182 0.000 1.013 1109 L CA -0.631 54.318 54.840 0.182 0.000 0.816 1109 L CB 1.262 43.403 42.059 0.136 0.000 1.236 1109 L HN 0.548 nan 8.230 nan 0.000 0.419 1110 D N 3.874 124.364 120.400 0.149 0.000 2.365 1110 D HA 0.206 4.845 4.640 -0.001 0.000 0.237 1110 D C 0.595 176.957 176.300 0.104 0.000 1.190 1110 D CA -0.139 53.935 54.000 0.123 0.000 0.867 1110 D CB 0.818 41.674 40.800 0.094 0.000 1.050 1110 D HN 0.539 nan 8.370 nan 0.000 0.491 1111 I N 0.601 121.234 120.570 0.106 0.000 3.889 1111 I HA 0.158 4.327 4.170 -0.001 0.000 0.332 1111 I C 1.243 177.400 176.117 0.065 0.000 1.493 1111 I CA -0.551 60.804 61.300 0.092 0.000 1.158 1111 I CB 0.347 38.410 38.000 0.105 0.000 1.117 1111 I HN -0.030 nan 8.210 nan 0.000 0.411 1112 S N 1.712 117.445 115.700 0.054 0.000 2.387 1112 S HA -0.175 4.295 4.470 -0.001 0.000 0.230 1112 S C 1.178 175.790 174.600 0.019 0.000 1.035 1112 S CA 1.937 60.152 58.200 0.026 0.000 1.014 1112 S CB -0.283 62.931 63.200 0.023 0.000 0.836 1112 S HN 0.600 nan 8.310 nan 0.000 0.466 1113 D N -0.070 120.347 120.400 0.028 0.000 2.340 1113 D HA 0.127 4.766 4.640 -0.001 0.000 0.217 1113 D C 1.232 177.550 176.300 0.030 0.000 1.081 1113 D CA 0.247 54.261 54.000 0.023 0.000 0.842 1113 D CB 0.276 41.089 40.800 0.022 0.000 0.934 1113 D HN 0.224 nan 8.370 nan 0.000 0.511 1114 K N 0.102 120.527 120.400 0.041 0.000 2.370 1114 K HA 0.150 4.469 4.320 -0.001 0.000 0.194 1114 K C 0.761 177.391 176.600 0.050 0.000 1.070 1114 K CA 0.255 56.574 56.287 0.052 0.000 0.998 1114 K CB 1.752 34.297 32.500 0.076 0.000 0.911 1114 K HN 0.095 nan 8.250 nan 0.000 0.533 1115 V N -2.152 117.786 119.914 0.040 0.000 3.049 1115 V HA 0.467 4.587 4.120 -0.001 0.000 0.309 1115 V C 0.505 176.603 176.094 0.006 0.000 1.148 1115 V CA -1.037 61.284 62.300 0.034 0.000 0.990 1115 V CB 2.466 34.321 31.823 0.053 0.000 1.039 1115 V HN -0.074 nan 8.190 nan 0.000 0.430 1116 R N 1.101 121.602 120.500 0.002 0.000 2.223 1116 R HA 0.281 4.620 4.340 -0.001 0.000 0.198 1116 R C -0.234 176.033 176.300 -0.054 0.000 0.984 1116 R CA 1.138 57.226 56.100 -0.020 0.000 1.018 1116 R CB 0.136 30.431 30.300 -0.007 0.000 0.945 1116 R HN 1.027 nan 8.270 nan 0.000 0.479 1117 D N -3.578 116.790 120.400 -0.055 0.000 2.779 1117 D HA -0.028 4.611 4.640 -0.001 0.000 0.331 1117 D C 0.018 176.289 176.300 -0.049 0.000 1.331 1117 D CA -0.735 53.197 54.000 -0.113 0.000 0.866 1117 D CB -0.221 40.548 40.800 -0.051 0.000 1.409 1117 D HN -0.283 nan 8.370 nan 0.000 0.486 1118 Y N 0.180 120.506 120.300 0.044 0.000 2.373 1118 Y HA 0.118 4.667 4.550 -0.002 0.000 0.293 1118 Y C 2.422 178.374 175.900 0.086 0.000 1.129 1118 Y CA 0.953 59.091 58.100 0.064 0.000 1.226 1118 Y CB -0.247 38.241 38.460 0.048 0.000 1.000 1118 Y HN 0.213 nan 8.280 nan 0.000 0.549 1119 R N 0.167 120.787 120.500 0.200 0.000 2.073 1119 R HA -0.178 4.161 4.340 -0.001 0.000 0.234 1119 R C 1.990 178.393 176.300 0.172 0.000 1.134 1119 R CA 1.790 57.976 56.100 0.144 0.000 0.952 1119 R CB -0.314 30.033 30.300 0.078 0.000 0.850 1119 R HN 0.448 nan 8.270 nan 0.000 0.433 1120 E N 0.102 120.381 120.200 0.131 0.000 2.204 1120 E HA -0.117 4.232 4.350 -0.001 0.000 0.194 1120 E C 1.926 178.606 176.600 0.133 0.000 0.989 1120 E CA 0.860 57.328 56.400 0.114 0.000 0.824 1120 E CB 0.015 29.760 29.700 0.075 0.000 0.756 1120 E HN 0.344 nan 8.360 nan 0.000 0.477 1121 A N 0.682 123.605 122.820 0.172 0.000 1.898 1121 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 1121 A C 1.968 179.657 177.584 0.175 0.000 1.181 1121 A CA 1.042 53.189 52.037 0.182 0.000 0.620 1121 A CB -0.689 18.473 19.000 0.271 0.000 0.819 1121 A HN 0.355 nan 8.150 nan 0.000 0.442 1122 Y N 1.175 121.534 120.300 0.098 0.000 2.128 1122 Y HA -0.300 4.249 4.550 -0.001 0.000 0.284 1122 Y C 2.312 178.232 175.900 0.032 0.000 1.154 1122 Y CA 2.262 60.396 58.100 0.056 0.000 1.149 1122 Y CB -0.457 38.034 38.460 0.051 0.000 0.976 1122 Y HN 0.490 nan 8.280 nan 0.000 0.505 1123 N N -0.080 118.723 118.700 0.171 0.000 2.069 1123 N HA -0.234 4.506 4.740 -0.001 0.000 0.191 1123 N C 1.760 177.261 175.510 -0.015 0.000 1.031 1123 N CA 1.580 54.675 53.050 0.075 0.000 0.852 1123 N CB -0.530 38.019 38.487 0.104 0.000 1.018 1123 N HN 0.384 nan 8.380 nan 0.000 0.423 1124 L N 0.161 121.385 121.223 0.002 0.000 2.083 1124 L HA 0.101 4.440 4.340 -0.001 0.000 0.209 1124 L C 2.137 178.916 176.870 -0.153 0.000 1.083 1124 L CA 1.981 56.797 54.840 -0.040 0.000 0.752 1124 L CB -1.202 40.868 42.059 0.018 0.000 0.899 1124 L HN 0.312 nan 8.230 nan 0.000 0.433 1125 G N -0.705 108.005 108.800 -0.151 0.000 2.422 1125 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 1125 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 1125 G C 1.611 176.360 174.900 -0.250 0.000 1.146 1125 G CA 1.020 45.995 45.100 -0.208 0.000 0.769 1125 G HN 0.420 nan 8.290 nan 0.000 0.547 1126 L N -0.130 120.932 121.223 -0.268 0.000 2.056 1126 L HA -0.016 4.323 4.340 -0.001 0.000 0.207 1126 L C 2.750 179.529 176.870 -0.152 0.000 1.078 1126 L CA 1.390 56.102 54.840 -0.214 0.000 0.749 1126 L CB -0.369 41.580 42.059 -0.184 0.000 0.901 1126 L HN 0.328 nan 8.230 nan 0.000 0.433 1127 E N 0.681 120.796 120.200 -0.141 0.000 2.110 1127 E HA -0.227 4.122 4.350 -0.001 0.000 0.193 1127 E C 2.274 178.742 176.600 -0.219 0.000 0.988 1127 E CA 1.105 57.437 56.400 -0.114 0.000 0.804 1127 E CB 0.036 29.711 29.700 -0.042 0.000 0.745 1127 E HN 0.442 nan 8.360 nan 0.000 0.458 1128 I N 0.581 120.914 120.570 -0.395 0.000 2.163 1128 I HA -0.276 3.893 4.170 -0.001 0.000 0.240 1128 I C 2.407 178.382 176.117 -0.236 0.000 1.081 1128 I CA 1.184 62.199 61.300 -0.475 0.000 1.353 1128 I CB -0.173 37.513 38.000 -0.524 0.000 1.054 1128 I HN 0.040 nan 8.210 nan 0.000 0.407 1129 K N 0.698 120.986 120.400 -0.188 0.000 2.020 1129 K HA -0.210 4.110 4.320 -0.001 0.000 0.212 1129 K C 1.919 178.460 176.600 -0.098 0.000 1.050 1129 K CA 1.877 58.087 56.287 -0.129 0.000 0.929 1129 K CB -0.271 32.160 32.500 -0.115 0.000 0.714 1129 K HN 0.245 nan 8.250 nan 0.000 0.443 1130 N N 0.909 119.557 118.700 -0.085 0.000 2.104 1130 N HA -0.177 4.562 4.740 -0.001 0.000 0.190 1130 N C 1.620 177.110 175.510 -0.034 0.000 1.024 1130 N CA 1.219 54.240 53.050 -0.049 0.000 0.853 1130 N CB -0.168 38.299 38.487 -0.033 0.000 1.008 1130 N HN 0.066 nan 8.380 nan 0.000 0.424 1131 K N 1.137 121.519 120.400 -0.029 0.000 2.057 1131 K HA 0.120 4.439 4.320 -0.001 0.000 0.206 1131 K C 1.894 178.484 176.600 -0.018 0.000 1.050 1131 K CA 0.746 57.041 56.287 0.012 0.000 0.935 1131 K CB -0.353 32.204 32.500 0.095 0.000 0.715 1131 K HN 0.127 nan 8.250 nan 0.000 0.439 1132 I N 0.349 120.883 120.570 -0.060 0.000 2.226 1132 I HA -0.244 3.925 4.170 -0.001 0.000 0.245 1132 I C 2.085 178.146 176.117 -0.093 0.000 1.100 1132 I CA 0.681 61.920 61.300 -0.102 0.000 1.374 1132 I CB -0.252 37.645 38.000 -0.171 0.000 1.057 1132 I HN 0.154 nan 8.210 nan 0.000 0.413 1133 L N 0.931 122.110 121.223 -0.074 0.000 2.046 1133 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 1133 L C 2.386 179.235 176.870 -0.036 0.000 1.077 1133 L CA 1.903 56.711 54.840 -0.054 0.000 0.747 1133 L CB -0.546 41.489 42.059 -0.040 0.000 0.896 1133 L HN 0.201 nan 8.230 nan 0.000 0.432 1134 E N -0.852 119.332 120.200 -0.025 0.000 2.077 1134 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 1134 E C 1.988 178.579 176.600 -0.015 0.000 0.989 1134 E CA 1.162 57.554 56.400 -0.013 0.000 0.800 1134 E CB -0.067 29.631 29.700 -0.003 0.000 0.746 1134 E HN 0.351 nan 8.360 nan 0.000 0.452 1135 K N 0.091 120.479 120.400 -0.020 0.000 2.166 1135 K HA 0.022 4.341 4.320 -0.001 0.000 0.201 1135 K C 1.527 178.111 176.600 -0.027 0.000 1.052 1135 K CA 0.776 57.053 56.287 -0.018 0.000 0.969 1135 K CB 0.435 32.927 32.500 -0.014 0.000 0.761 1135 K HN 0.036 nan 8.250 nan 0.000 0.459 1136 E N -0.143 120.030 120.200 -0.045 0.000 2.541 1136 E HA 0.084 4.433 4.350 -0.001 0.000 0.219 1136 E C -0.145 176.425 176.600 -0.050 0.000 0.922 1136 E CA -0.027 56.343 56.400 -0.051 0.000 1.095 1136 E CB 0.805 30.455 29.700 -0.083 0.000 1.112 1136 E HN -0.002 nan 8.360 nan 0.000 0.516 1137 K N 0.652 121.023 120.400 -0.049 0.000 3.281 1137 K HA -0.154 4.165 4.320 -0.001 0.000 0.295 1137 K C -0.221 176.346 176.600 -0.055 0.000 1.233 1137 K CA 0.479 56.742 56.287 -0.040 0.000 0.866 1137 K CB -1.266 31.218 32.500 -0.026 0.000 1.265 1137 K HN 0.138 nan 8.250 nan 0.000 0.482 1138 I N 1.841 122.360 120.570 -0.086 0.000 2.354 1138 I HA 0.104 4.273 4.170 -0.001 0.000 0.292 1138 I C 1.215 177.265 176.117 -0.111 0.000 0.989 1138 I CA -0.311 60.920 61.300 -0.115 0.000 1.188 1138 I CB 1.443 39.344 38.000 -0.165 0.000 1.342 1138 I HN 0.086 nan 8.210 nan 0.000 0.457 1139 T N 4.828 119.339 114.554 -0.071 0.000 2.869 1139 T HA 0.620 4.969 4.350 -0.001 0.000 0.295 1139 T C -0.063 174.628 174.700 -0.014 0.000 0.987 1139 T CA -0.518 61.569 62.100 -0.021 0.000 1.109 1139 T CB 1.359 70.263 68.868 0.060 0.000 0.932 1139 T HN 0.478 nan 8.240 nan 0.000 0.518 1140 V N 0.260 120.170 119.914 -0.007 0.000 3.102 1140 V HA 0.876 4.996 4.120 -0.001 0.000 0.312 1140 V C -0.383 175.726 176.094 0.025 0.000 1.135 1140 V CA -0.881 61.440 62.300 0.034 0.000 1.022 1140 V CB 1.923 33.765 31.823 0.031 0.000 1.056 1140 V HN 1.002 nan 8.190 nan 0.000 0.436 1141 T N 1.988 116.555 114.554 0.023 0.000 2.823 1141 T HA 0.704 5.053 4.350 -0.001 0.000 0.279 1141 T C -0.621 174.056 174.700 -0.038 0.000 0.998 1141 T CA -0.340 61.767 62.100 0.011 0.000 0.994 1141 T CB 1.493 70.392 68.868 0.051 0.000 0.960 1141 T HN 0.761 nan 8.240 nan 0.000 0.448 1142 V N 2.432 122.328 119.914 -0.030 0.000 2.495 1142 V HA 0.792 4.911 4.120 -0.001 0.000 0.298 1142 V C 0.555 176.674 176.094 0.042 0.000 1.031 1142 V CA -0.691 61.588 62.300 -0.034 0.000 0.871 1142 V CB 1.848 33.623 31.823 -0.079 0.000 0.988 1142 V HN 1.030 nan 8.190 nan 0.000 0.432 1143 G N 4.214 113.089 108.800 0.124 0.000 2.452 1143 G HA2 0.794 4.753 3.960 -0.001 0.000 0.324 1143 G HA3 0.794 4.753 3.960 -0.001 0.000 0.324 1143 G C -1.203 173.792 174.900 0.158 0.000 1.214 1143 G CA -0.508 44.683 45.100 0.152 0.000 0.947 1143 G HN 0.591 nan 8.290 nan 0.000 0.478 1144 I N 1.282 121.923 120.570 0.118 0.000 2.499 1144 I HA 0.568 4.737 4.170 -0.001 0.000 0.288 1144 I C 0.062 176.227 176.117 0.081 0.000 1.048 1144 I CA -0.309 61.073 61.300 0.137 0.000 1.062 1144 I CB 2.233 40.317 38.000 0.140 0.000 1.238 1144 I HN 0.580 nan 8.210 nan 0.000 0.426 1145 S N 3.352 119.167 115.700 0.190 0.000 2.873 1145 S HA 0.348 4.817 4.470 -0.001 0.000 0.303 1145 S C 0.296 175.090 174.600 0.324 0.000 1.222 1145 S CA -0.613 57.696 58.200 0.183 0.000 0.923 1145 S CB 1.238 64.533 63.200 0.159 0.000 1.286 1145 S HN 0.715 nan 8.310 nan 0.000 0.571 1146 K N 0.259 120.821 120.400 0.270 0.000 2.361 1146 K HA 0.152 4.471 4.320 -0.001 0.000 0.196 1146 K C 0.246 176.970 176.600 0.206 0.000 1.039 1146 K CA 0.667 57.090 56.287 0.228 0.000 1.001 1146 K CB -0.379 32.214 32.500 0.154 0.000 0.795 1146 K HN 0.470 nan 8.250 nan 0.000 0.495 1147 N N -0.402 118.451 118.700 0.255 0.000 2.972 1147 N HA 0.152 4.891 4.740 -0.001 0.000 0.262 1147 N C -0.270 175.401 175.510 0.269 0.000 1.478 1147 N CA -1.076 52.142 53.050 0.281 0.000 0.841 1147 N CB 1.040 39.767 38.487 0.400 0.000 1.512 1147 N HN -0.247 nan 8.380 nan 0.000 0.548 1148 K N -0.525 120.021 120.400 0.242 0.000 2.097 1148 K HA -0.006 4.313 4.320 -0.001 0.000 0.205 1148 K C 1.323 177.960 176.600 0.062 0.000 1.050 1148 K CA 1.315 57.669 56.287 0.111 0.000 0.938 1148 K CB -0.304 32.040 32.500 -0.261 0.000 0.718 1148 K HN 0.309 nan 8.250 nan 0.000 0.442 1149 V N 0.609 120.467 119.914 -0.093 0.000 2.379 1149 V HA -0.189 3.930 4.120 -0.001 0.000 0.245 1149 V C 1.893 177.811 176.094 -0.292 0.000 1.044 1149 V CA 1.625 63.739 62.300 -0.309 0.000 1.036 1149 V CB -0.437 30.998 31.823 -0.646 0.000 0.664 1149 V HN 0.144 nan 8.190 nan 0.000 0.453 1150 F N 0.529 120.430 119.950 -0.081 0.000 2.259 1150 F HA 0.048 4.574 4.527 -0.001 0.000 0.298 1150 F C 2.370 178.160 175.800 -0.016 0.000 1.088 1150 F CA 0.973 58.944 58.000 -0.048 0.000 1.358 1150 F CB -0.731 38.255 39.000 -0.023 0.000 1.040 1150 F HN 0.067 nan 8.300 nan 0.000 0.505 1151 A N 0.016 122.949 122.820 0.189 0.000 1.908 1151 A HA -0.267 4.052 4.320 -0.001 0.000 0.218 1151 A C 2.292 179.889 177.584 0.020 0.000 1.181 1151 A CA 2.018 54.152 52.037 0.162 0.000 0.627 1151 A CB -0.713 18.447 19.000 0.267 0.000 0.818 1151 A HN 0.341 nan 8.150 nan 0.000 0.445 1152 K N -0.401 119.859 120.400 -0.233 0.000 2.057 1152 K HA -0.063 4.256 4.320 -0.001 0.000 0.206 1152 K C 1.870 178.358 176.600 -0.187 0.000 1.050 1152 K CA 1.447 57.413 56.287 -0.533 0.000 0.935 1152 K CB -0.310 31.771 32.500 -0.698 0.000 0.715 1152 K HN 0.498 nan 8.250 nan 0.000 0.439 1153 I N 1.274 121.751 120.570 -0.154 0.000 2.208 1153 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 1153 I C 2.503 178.620 176.117 0.001 0.000 1.097 1153 I CA 1.253 62.497 61.300 -0.095 0.000 1.363 1153 I CB -0.408 37.498 38.000 -0.156 0.000 1.051 1153 I HN 0.259 nan 8.210 nan 0.000 0.413 1154 A N 0.833 123.683 122.820 0.050 0.000 1.892 1154 A HA -0.257 4.062 4.320 -0.001 0.000 0.218 1154 A C 2.563 180.194 177.584 0.078 0.000 1.188 1154 A CA 2.215 54.297 52.037 0.074 0.000 0.631 1154 A CB -0.980 18.075 19.000 0.091 0.000 0.822 1154 A HN 0.455 nan 8.150 nan 0.000 0.447 1155 A N 0.112 123.004 122.820 0.121 0.000 1.883 1155 A HA -0.216 4.103 4.320 -0.001 0.000 0.217 1155 A C 1.756 179.397 177.584 0.094 0.000 1.186 1155 A CA 1.911 54.038 52.037 0.150 0.000 0.624 1155 A CB -0.701 18.499 19.000 0.333 0.000 0.822 1155 A HN 0.510 nan 8.150 nan 0.000 0.444 1156 D N -0.260 120.179 120.400 0.066 0.000 2.149 1156 D HA -0.169 4.470 4.640 -0.001 0.000 0.198 1156 D C 1.901 178.208 176.300 0.012 0.000 0.990 1156 D CA 1.496 55.515 54.000 0.031 0.000 0.839 1156 D CB -0.396 40.403 40.800 -0.001 0.000 0.948 1156 D HN 0.528 nan 8.370 nan 0.000 0.460 1157 M N 0.055 119.665 119.600 0.016 0.000 2.394 1157 M HA -0.021 4.458 4.480 -0.001 0.000 0.264 1157 M C 1.905 178.210 176.300 0.008 0.000 1.073 1157 M CA 0.972 56.276 55.300 0.008 0.000 1.111 1157 M CB 0.175 32.785 32.600 0.016 0.000 1.401 1157 M HN -0.035 nan 8.290 nan 0.000 0.448 1158 A N 0.325 123.158 122.820 0.022 0.000 2.252 1158 A HA 0.105 4.424 4.320 -0.001 0.000 0.213 1158 A C 0.510 178.102 177.584 0.014 0.000 1.188 1158 A CA -0.288 51.763 52.037 0.023 0.000 0.863 1158 A CB -0.079 18.946 19.000 0.041 0.000 0.893 1158 A HN 0.375 nan 8.150 nan 0.000 0.495 1159 K N 1.619 122.025 120.400 0.010 0.000 2.414 1159 K HA 0.347 4.666 4.320 -0.001 0.000 0.272 1159 K C -2.515 174.037 176.600 -0.080 0.000 0.993 1159 K CA -1.131 55.157 56.287 0.001 0.000 0.964 1159 K CB -0.137 32.381 32.500 0.030 0.000 0.925 1159 K HN 0.146 nan 8.250 nan 0.000 0.487 1160 P HA 0.092 nan 4.420 nan 0.000 0.283 1160 P C -0.665 176.698 177.300 0.105 0.000 1.271 1160 P CA -0.629 62.517 63.100 0.077 0.000 0.841 1160 P CB 0.490 32.296 31.700 0.175 0.000 1.122 1161 N N -1.076 117.714 118.700 0.150 0.000 2.705 1161 N HA -0.138 4.602 4.740 -0.001 0.000 0.255 1161 N C -0.164 175.376 175.510 0.051 0.000 1.008 1161 N CA 1.253 54.364 53.050 0.101 0.000 0.742 1161 N CB -1.339 37.220 38.487 0.120 0.000 0.906 1161 N HN 0.783 nan 8.380 nan 0.000 0.541 1162 G N -0.280 108.544 108.800 0.039 0.000 2.788 1162 G HA2 0.793 4.752 3.960 -0.001 0.000 0.293 1162 G HA3 0.793 4.752 3.960 -0.001 0.000 0.293 1162 G C -0.879 174.022 174.900 0.003 0.000 1.305 1162 G CA -0.613 44.501 45.100 0.024 0.000 1.005 1162 G HN 0.412 nan 8.290 nan 0.000 0.496 1163 I N -0.338 120.238 120.570 0.010 0.000 2.644 1163 I HA 0.666 4.835 4.170 -0.001 0.000 0.291 1163 I C -1.715 174.454 176.117 0.086 0.000 1.180 1163 I CA -0.987 60.306 61.300 -0.012 0.000 1.040 1163 I CB 2.270 40.166 38.000 -0.173 0.000 1.255 1163 I HN 0.494 nan 8.210 nan 0.000 0.422 1164 K N 6.174 126.627 120.400 0.089 0.000 2.535 1164 K HA 0.567 4.886 4.320 -0.001 0.000 0.250 1164 K C -2.135 174.516 176.600 0.084 0.000 0.948 1164 K CA -0.467 55.883 56.287 0.106 0.000 0.796 1164 K CB 2.112 34.650 32.500 0.064 0.000 1.216 1164 K HN 0.330 nan 8.250 nan 0.000 0.432 1165 V N 6.039 125.991 119.914 0.062 0.000 2.407 1165 V HA 0.435 4.554 4.120 -0.001 0.000 0.278 1165 V C -0.035 175.962 176.094 -0.163 0.000 1.037 1165 V CA -0.556 61.685 62.300 -0.097 0.000 0.900 1165 V CB 1.057 32.781 31.823 -0.165 0.000 0.983 1165 V HN 0.704 nan 8.190 nan 0.000 0.459 1166 I N 5.706 126.158 120.570 -0.196 0.000 2.337 1166 I HA 0.275 4.444 4.170 -0.001 0.000 0.285 1166 I C 0.102 176.035 176.117 -0.307 0.000 1.041 1166 I CA -0.596 60.603 61.300 -0.168 0.000 1.199 1166 I CB 1.092 39.075 38.000 -0.028 0.000 1.370 1166 I HN 0.722 nan 8.210 nan 0.000 0.470 1167 D N 3.830 124.053 120.400 -0.294 0.000 2.433 1167 D HA 0.054 4.693 4.640 -0.001 0.000 0.255 1167 D C 0.658 176.909 176.300 -0.083 0.000 1.226 1167 D CA -0.371 53.508 54.000 -0.202 0.000 1.015 1167 D CB 0.777 41.524 40.800 -0.088 0.000 1.091 1167 D HN 0.258 nan 8.370 nan 0.000 0.527 1168 D N -0.596 119.815 120.400 0.019 0.000 2.133 1168 D HA -0.154 4.485 4.640 -0.001 0.000 0.195 1168 D C 1.731 177.988 176.300 -0.072 0.000 0.997 1168 D CA 1.222 55.203 54.000 -0.032 0.000 0.840 1168 D CB -0.011 40.797 40.800 0.012 0.000 0.947 1168 D HN 0.452 nan 8.370 nan 0.000 0.452 1169 E N 0.613 120.784 120.200 -0.048 0.000 2.072 1169 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 1169 E C 1.986 178.544 176.600 -0.071 0.000 0.985 1169 E CA 0.634 57.003 56.400 -0.051 0.000 0.801 1169 E CB -0.420 29.260 29.700 -0.033 0.000 0.750 1169 E HN 0.520 nan 8.360 nan 0.000 0.452 1170 E N 0.789 120.939 120.200 -0.083 0.000 2.208 1170 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 1170 E C 2.019 178.543 176.600 -0.127 0.000 0.988 1170 E CA 0.403 56.754 56.400 -0.081 0.000 0.828 1170 E CB 0.247 29.906 29.700 -0.068 0.000 0.763 1170 E HN -0.027 nan 8.360 nan 0.000 0.478 1171 V N 1.652 121.420 119.914 -0.244 0.000 2.287 1171 V HA -0.294 3.825 4.120 -0.001 0.000 0.248 1171 V C 2.337 178.259 176.094 -0.287 0.000 1.053 1171 V CA 1.792 63.787 62.300 -0.509 0.000 1.027 1171 V CB -0.422 31.003 31.823 -0.664 0.000 0.646 1171 V HN 0.226 nan 8.190 nan 0.000 0.447 1172 K N -0.082 120.217 120.400 -0.168 0.000 2.032 1172 K HA -0.187 4.132 4.320 -0.001 0.000 0.209 1172 K C 2.215 178.791 176.600 -0.040 0.000 1.048 1172 K CA 1.546 57.782 56.287 -0.084 0.000 0.927 1172 K CB -0.574 31.889 32.500 -0.061 0.000 0.712 1172 K HN 0.393 nan 8.250 nan 0.000 0.441 1173 R N 0.923 121.400 120.500 -0.037 0.000 2.081 1173 R HA -0.041 4.299 4.340 -0.001 0.000 0.235 1173 R C 2.429 178.737 176.300 0.014 0.000 1.131 1173 R CA 1.000 57.092 56.100 -0.012 0.000 0.960 1173 R CB -0.205 30.086 30.300 -0.015 0.000 0.856 1173 R HN 0.107 nan 8.270 nan 0.000 0.436 1174 L N 0.396 121.641 121.223 0.037 0.000 2.093 1174 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 1174 L C 2.423 179.370 176.870 0.127 0.000 1.085 1174 L CA 1.015 55.921 54.840 0.110 0.000 0.755 1174 L CB -0.286 41.919 42.059 0.243 0.000 0.904 1174 L HN 0.256 nan 8.230 nan 0.000 0.435 1175 I N -0.443 120.203 120.570 0.127 0.000 2.264 1175 I HA -0.325 3.844 4.170 -0.001 0.000 0.248 1175 I C 2.702 178.849 176.117 0.050 0.000 1.111 1175 I CA 1.409 62.773 61.300 0.108 0.000 1.382 1175 I CB -0.229 37.817 38.000 0.076 0.000 1.060 1175 I HN 0.211 nan 8.210 nan 0.000 0.418 1176 R N 0.042 120.561 120.500 0.032 0.000 2.093 1176 R HA -0.048 4.292 4.340 -0.001 0.000 0.224 1176 R C 1.733 178.042 176.300 0.015 0.000 1.101 1176 R CA 1.041 57.152 56.100 0.017 0.000 0.979 1176 R CB 0.032 30.337 30.300 0.008 0.000 0.877 1176 R HN 0.426 nan 8.270 nan 0.000 0.441 1177 E N -0.230 119.983 120.200 0.020 0.000 2.434 1177 E HA 0.052 4.401 4.350 -0.001 0.000 0.207 1177 E C -0.389 176.219 176.600 0.012 0.000 0.929 1177 E CA -0.306 56.102 56.400 0.013 0.000 1.001 1177 E CB 0.503 30.209 29.700 0.010 0.000 1.016 1177 E HN -0.047 nan 8.360 nan 0.000 0.502 1178 L N 2.855 124.091 121.223 0.021 0.000 2.410 1178 L HA 0.065 4.404 4.340 -0.001 0.000 0.273 1178 L C -0.055 176.811 176.870 -0.007 0.000 1.144 1178 L CA -0.029 54.816 54.840 0.008 0.000 0.863 1178 L CB 0.495 42.561 42.059 0.012 0.000 1.140 1178 L HN -0.126 nan 8.230 nan 0.000 0.463 1179 D N 4.000 124.393 120.400 -0.013 0.000 2.586 1179 D HA -0.168 4.472 4.640 -0.001 0.000 0.234 1179 D C 1.253 177.538 176.300 -0.026 0.000 1.132 1179 D CA 0.571 54.561 54.000 -0.017 0.000 0.860 1179 D CB 0.578 41.367 40.800 -0.018 0.000 1.159 1179 D HN 0.696 nan 8.370 nan 0.000 0.490 1180 I N 3.743 124.300 120.570 -0.023 0.000 2.454 1180 I HA -0.243 3.926 4.170 -0.001 0.000 0.254 1180 I C 2.040 178.140 176.117 -0.029 0.000 1.156 1180 I CA 1.167 62.450 61.300 -0.029 0.000 1.433 1180 I CB 0.124 38.113 38.000 -0.019 0.000 1.082 1180 I HN 0.537 nan 8.210 nan 0.000 0.432 1181 A N -0.182 122.624 122.820 -0.024 0.000 2.070 1181 A HA -0.202 4.118 4.320 -0.001 0.000 0.220 1181 A C 1.725 179.290 177.584 -0.032 0.000 1.159 1181 A CA 1.775 53.798 52.037 -0.023 0.000 0.656 1181 A CB -0.467 18.521 19.000 -0.019 0.000 0.800 1181 A HN 0.446 nan 8.150 nan 0.000 0.453 1182 D N -0.494 119.881 120.400 -0.041 0.000 2.349 1182 D HA 0.101 4.740 4.640 -0.001 0.000 0.215 1182 D C 0.271 176.522 176.300 -0.082 0.000 1.016 1182 D CA 0.194 54.162 54.000 -0.054 0.000 0.870 1182 D CB 0.025 40.795 40.800 -0.050 0.000 0.917 1182 D HN 0.170 nan 8.370 nan 0.000 0.524 1183 V N 2.990 122.853 119.914 -0.085 0.000 2.521 1183 V HA 0.067 4.187 4.120 -0.001 0.000 0.286 1183 V C -1.982 174.075 176.094 -0.061 0.000 1.034 1183 V CA -1.250 60.981 62.300 -0.115 0.000 1.045 1183 V CB 0.666 32.425 31.823 -0.106 0.000 0.974 1183 V HN -0.085 nan 8.190 nan 0.000 0.480 1184 P HA 0.172 nan 4.420 nan 0.000 0.262 1184 P C 0.942 178.243 177.300 0.003 0.000 1.182 1184 P CA 1.504 64.573 63.100 -0.050 0.000 0.761 1184 P CB 0.462 32.110 31.700 -0.086 0.000 0.795 1185 G N 2.799 111.571 108.800 -0.047 0.000 2.194 1185 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.236 1185 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.236 1185 G C -0.003 174.870 174.900 -0.045 0.000 0.987 1185 G CA -0.523 44.519 45.100 -0.097 0.000 0.635 1185 G HN 0.469 nan 8.290 nan 0.000 0.520 1186 I N 2.450 123.016 120.570 -0.005 0.000 2.330 1186 I HA 0.563 4.732 4.170 -0.001 0.000 0.286 1186 I C 1.166 177.273 176.117 -0.016 0.000 1.025 1186 I CA -0.308 60.992 61.300 -0.001 0.000 1.197 1186 I CB 0.273 38.281 38.000 0.014 0.000 1.358 1186 I HN 0.158 nan 8.210 nan 0.000 0.467 1187 G N 4.760 113.548 108.800 -0.019 0.000 2.583 1187 G HA2 0.259 4.218 3.960 -0.001 0.000 0.280 1187 G HA3 0.259 4.218 3.960 -0.001 0.000 0.280 1187 G C 0.643 175.534 174.900 -0.016 0.000 1.376 1187 G CA -0.502 44.586 45.100 -0.019 0.000 1.043 1187 G HN 0.607 nan 8.290 nan 0.000 0.538 1188 N N -0.740 117.952 118.700 -0.015 0.000 2.120 1188 N HA -0.132 4.607 4.740 -0.001 0.000 0.188 1188 N C 2.094 177.596 175.510 -0.013 0.000 1.024 1188 N CA 0.655 53.698 53.050 -0.013 0.000 0.852 1188 N CB -0.044 38.436 38.487 -0.011 0.000 1.003 1188 N HN 0.237 nan 8.380 nan 0.000 0.424 1189 I N 1.252 121.814 120.570 -0.014 0.000 2.179 1189 I HA -0.187 3.983 4.170 -0.001 0.000 0.242 1189 I C 2.149 178.258 176.117 -0.015 0.000 1.088 1189 I CA 1.528 62.820 61.300 -0.014 0.000 1.357 1189 I CB -1.605 36.385 38.000 -0.016 0.000 1.051 1189 I HN 0.167 nan 8.210 nan 0.000 0.409 1190 T N 1.412 115.957 114.554 -0.015 0.000 2.777 1190 T HA -0.072 4.278 4.350 -0.001 0.000 0.266 1190 T C 2.069 176.763 174.700 -0.010 0.000 1.040 1190 T CA 1.405 63.497 62.100 -0.013 0.000 1.141 1190 T CB -0.362 68.500 68.868 -0.009 0.000 0.868 1190 T HN 0.427 nan 8.240 nan 0.000 0.444 1191 A N 1.779 124.593 122.820 -0.010 0.000 1.940 1191 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 1191 A C 2.305 179.882 177.584 -0.010 0.000 1.176 1191 A CA 1.310 53.341 52.037 -0.010 0.000 0.631 1191 A CB -0.341 18.652 19.000 -0.011 0.000 0.814 1191 A HN 0.304 nan 8.150 nan 0.000 0.446 1192 E N 0.082 120.276 120.200 -0.011 0.000 2.152 1192 E HA -0.086 4.263 4.350 -0.001 0.000 0.192 1192 E C 1.880 178.473 176.600 -0.012 0.000 0.983 1192 E CA 1.007 57.400 56.400 -0.011 0.000 0.818 1192 E CB -0.282 29.411 29.700 -0.010 0.000 0.758 1192 E HN 0.666 nan 8.360 nan 0.000 0.467 1193 K N 0.388 120.781 120.400 -0.013 0.000 2.097 1193 K HA 0.011 4.330 4.320 -0.001 0.000 0.205 1193 K C 2.281 178.872 176.600 -0.015 0.000 1.050 1193 K CA 0.567 56.845 56.287 -0.016 0.000 0.938 1193 K CB -0.064 32.425 32.500 -0.019 0.000 0.718 1193 K HN 0.058 nan 8.250 nan 0.000 0.442 1194 L N 1.040 122.255 121.223 -0.013 0.000 2.093 1194 L HA -0.168 4.171 4.340 -0.001 0.000 0.208 1194 L C 2.221 179.086 176.870 -0.010 0.000 1.085 1194 L CA 1.236 56.070 54.840 -0.011 0.000 0.755 1194 L CB -0.238 41.817 42.059 -0.007 0.000 0.904 1194 L HN 0.095 nan 8.230 nan 0.000 0.435 1195 K N -0.062 120.332 120.400 -0.009 0.000 2.103 1195 K HA -0.158 4.161 4.320 -0.001 0.000 0.207 1195 K C 2.006 178.601 176.600 -0.008 0.000 1.048 1195 K CA 0.984 57.266 56.287 -0.008 0.000 0.930 1195 K CB -0.018 32.477 32.500 -0.008 0.000 0.716 1195 K HN 0.157 nan 8.250 nan 0.000 0.444 1196 K N 0.764 121.158 120.400 -0.010 0.000 2.283 1196 K HA -0.048 4.272 4.320 -0.001 0.000 0.202 1196 K C 1.745 178.339 176.600 -0.010 0.000 1.048 1196 K CA 0.833 57.114 56.287 -0.010 0.000 0.948 1196 K CB 0.003 32.496 32.500 -0.011 0.000 0.742 1196 K HN 0.230 nan 8.250 nan 0.000 0.458 1197 L N 0.002 121.219 121.223 -0.011 0.000 2.611 1197 L HA 0.123 4.462 4.340 -0.001 0.000 0.229 1197 L C 0.948 177.814 176.870 -0.006 0.000 1.137 1197 L CA 0.238 55.072 54.840 -0.010 0.000 0.901 1197 L CB -0.291 41.760 42.059 -0.014 0.000 1.098 1197 L HN 0.300 nan 8.230 nan 0.000 0.456 1198 G N 1.169 109.966 108.800 -0.006 0.000 2.153 1198 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.252 1198 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.252 1198 G C 0.221 175.120 174.900 -0.003 0.000 0.994 1198 G CA -0.025 45.073 45.100 -0.004 0.000 0.698 1198 G HN 0.350 nan 8.290 nan 0.000 0.521 1199 I N 1.071 121.638 120.570 -0.004 0.000 2.301 1199 I HA 0.261 4.431 4.170 -0.001 0.000 0.292 1199 I C 0.801 176.916 176.117 -0.004 0.000 1.046 1199 I CA -0.622 60.676 61.300 -0.002 0.000 1.282 1199 I CB 0.848 38.847 38.000 -0.002 0.000 1.409 1199 I HN 0.029 nan 8.210 nan 0.000 0.484 1200 N N 4.877 123.575 118.700 -0.003 0.000 2.382 1200 N HA 0.154 4.893 4.740 -0.001 0.000 0.200 1200 N C 0.045 175.551 175.510 -0.006 0.000 1.122 1200 N CA 0.264 53.310 53.050 -0.005 0.000 0.870 1200 N CB 0.836 39.321 38.487 -0.005 0.000 1.176 1200 N HN 0.438 nan 8.380 nan 0.000 0.474 1201 K N 0.547 120.945 120.400 -0.003 0.000 2.395 1201 K HA 0.359 4.678 4.320 -0.001 0.000 0.247 1201 K C 1.135 177.734 176.600 -0.002 0.000 0.973 1201 K CA -0.662 55.624 56.287 -0.002 0.000 0.828 1201 K CB 1.884 34.386 32.500 0.003 0.000 1.272 1201 K HN -0.177 nan 8.250 nan 0.000 0.439 1202 L N 0.951 122.172 121.223 -0.003 0.000 2.043 1202 L HA -0.231 4.108 4.340 -0.001 0.000 0.212 1202 L C 2.302 179.177 176.870 0.008 0.000 1.075 1202 L CA 1.324 56.160 54.840 -0.006 0.000 0.752 1202 L CB -0.271 41.786 42.059 -0.002 0.000 0.891 1202 L HN 0.439 nan 8.230 nan 0.000 0.432 1203 V N 0.166 120.089 119.914 0.015 0.000 2.453 1203 V HA -0.330 3.789 4.120 -0.001 0.000 0.252 1203 V C 1.910 178.013 176.094 0.015 0.000 1.068 1203 V CA 2.274 64.584 62.300 0.016 0.000 1.070 1203 V CB -0.418 31.413 31.823 0.014 0.000 0.664 1203 V HN 0.517 nan 8.190 nan 0.000 0.461 1204 D N -0.054 120.353 120.400 0.011 0.000 2.218 1204 D HA -0.141 4.498 4.640 -0.001 0.000 0.204 1204 D C 2.256 178.567 176.300 0.018 0.000 0.976 1204 D CA 1.766 55.773 54.000 0.012 0.000 0.853 1204 D CB -0.488 40.316 40.800 0.007 0.000 0.939 1204 D HN 0.721 nan 8.370 nan 0.000 0.481 1205 T N -1.339 113.227 114.554 0.021 0.000 3.007 1205 T HA -0.058 4.291 4.350 -0.001 0.000 0.270 1205 T C 1.992 176.723 174.700 0.053 0.000 1.107 1205 T CA 0.452 62.574 62.100 0.035 0.000 1.118 1205 T CB -0.391 68.499 68.868 0.038 0.000 0.889 1205 T HN 0.172 nan 8.240 nan 0.000 0.506 1206 L N 0.465 121.712 121.223 0.040 0.000 2.492 1206 L HA 0.229 4.568 4.340 -0.001 0.000 0.223 1206 L C 2.069 178.962 176.870 0.038 0.000 1.132 1206 L CA 0.358 55.223 54.840 0.042 0.000 0.850 1206 L CB -0.097 41.979 42.059 0.028 0.000 0.966 1206 L HN 0.231 nan 8.230 nan 0.000 0.454 1207 S N -0.386 115.333 115.700 0.032 0.000 2.568 1207 S HA 0.336 4.805 4.470 -0.001 0.000 0.232 1207 S C 0.344 174.961 174.600 0.028 0.000 0.975 1207 S CA -0.209 58.007 58.200 0.026 0.000 0.949 1207 S CB 0.384 63.595 63.200 0.018 0.000 0.829 1207 S HN 0.166 nan 8.310 nan 0.000 0.479 1208 I N 1.370 121.963 120.570 0.039 0.000 2.530 1208 I HA 0.347 4.516 4.170 -0.001 0.000 0.297 1208 I C -0.241 175.912 176.117 0.059 0.000 1.011 1208 I CA -0.728 60.594 61.300 0.036 0.000 1.107 1208 I CB 1.573 39.586 38.000 0.021 0.000 1.285 1208 I HN -0.010 nan 8.210 nan 0.000 0.436 1209 E N 4.687 124.918 120.200 0.051 0.000 2.414 1209 E HA -0.109 4.240 4.350 -0.001 0.000 0.263 1209 E C 0.146 176.805 176.600 0.100 0.000 1.000 1209 E CA 0.293 56.740 56.400 0.077 0.000 0.914 1209 E CB 0.754 30.484 29.700 0.051 0.000 0.948 1209 E HN 0.584 nan 8.360 nan 0.000 0.444 1210 F N 4.810 124.764 119.950 0.007 0.000 2.134 1210 F HA -0.196 4.331 4.527 -0.001 0.000 0.299 1210 F C 1.557 177.362 175.800 0.009 0.000 1.097 1210 F CA 1.601 59.607 58.000 0.009 0.000 1.264 1210 F CB 0.226 39.232 39.000 0.010 0.000 1.001 1210 F HN 0.530 nan 8.300 nan 0.000 0.479 1211 D N 0.362 120.768 120.400 0.010 0.000 2.144 1211 D HA -0.205 4.435 4.640 -0.001 0.000 0.199 1211 D C 2.191 178.413 176.300 -0.131 0.000 0.984 1211 D CA 1.231 55.183 54.000 -0.080 0.000 0.834 1211 D CB -0.378 40.437 40.800 0.025 0.000 0.955 1211 D HN 0.328 nan 8.370 nan 0.000 0.465 1212 K N 0.256 120.607 120.400 -0.080 0.000 2.057 1212 K HA -0.160 4.160 4.320 -0.001 0.000 0.207 1212 K C 2.132 178.664 176.600 -0.113 0.000 1.049 1212 K CA 0.723 56.967 56.287 -0.072 0.000 0.931 1212 K CB -0.156 32.324 32.500 -0.034 0.000 0.714 1212 K HN 0.000 nan 8.250 nan 0.000 0.440 1213 L N 1.751 122.878 121.223 -0.159 0.000 2.027 1213 L HA -0.144 4.196 4.340 -0.001 0.000 0.206 1213 L C 2.289 179.015 176.870 -0.240 0.000 1.074 1213 L CA 1.864 56.600 54.840 -0.174 0.000 0.745 1213 L CB -0.576 41.388 42.059 -0.158 0.000 0.898 1213 L HN 0.124 nan 8.230 nan 0.000 0.433 1214 K N -0.717 119.429 120.400 -0.423 0.000 2.032 1214 K HA -0.172 4.148 4.320 -0.001 0.000 0.209 1214 K C 1.981 178.464 176.600 -0.194 0.000 1.048 1214 K CA 1.595 57.652 56.287 -0.384 0.000 0.927 1214 K CB -0.739 31.415 32.500 -0.577 0.000 0.712 1214 K HN 0.498 nan 8.250 nan 0.000 0.441 1215 G N 0.991 109.697 108.800 -0.156 0.000 2.450 1215 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 1215 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 1215 G C 1.344 176.200 174.900 -0.073 0.000 1.130 1215 G CA 1.096 46.141 45.100 -0.091 0.000 0.760 1215 G HN 0.336 nan 8.290 nan 0.000 0.557 1216 M N 0.563 120.115 119.600 -0.080 0.000 2.299 1216 M HA 0.269 4.748 4.480 -0.001 0.000 0.264 1216 M C 2.126 178.395 176.300 -0.053 0.000 1.095 1216 M CA 1.123 56.388 55.300 -0.058 0.000 1.165 1216 M CB -0.054 32.515 32.600 -0.052 0.000 1.349 1216 M HN 0.355 nan 8.290 nan 0.000 0.446 1217 I N -3.193 117.339 120.570 -0.064 0.000 4.154 1217 I HA 0.596 4.765 4.170 -0.001 0.000 0.334 1217 I C 0.626 176.713 176.117 -0.049 0.000 1.371 1217 I CA 0.048 61.319 61.300 -0.048 0.000 1.110 1217 I CB -0.051 37.929 38.000 -0.034 0.000 1.085 1217 I HN 0.321 nan 8.210 nan 0.000 0.398 1218 G N 2.090 110.848 108.800 -0.070 0.000 2.663 1218 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.686 1218 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.686 1218 G C 0.095 174.958 174.900 -0.062 0.000 1.246 1218 G CA 0.121 45.186 45.100 -0.059 0.000 0.795 1218 G HN 0.421 nan 8.290 nan 0.000 0.627 1219 E N 0.317 120.494 120.200 -0.037 0.000 2.058 1219 E HA -0.116 4.233 4.350 -0.001 0.000 0.194 1219 E C 2.820 179.466 176.600 0.076 0.000 0.997 1219 E CA 2.210 58.617 56.400 0.012 0.000 0.801 1219 E CB -0.202 29.528 29.700 0.049 0.000 0.746 1219 E HN 1.078 nan 8.360 nan 0.000 0.450 1220 A N 1.105 123.957 122.820 0.053 0.000 1.902 1220 A HA -0.171 4.148 4.320 -0.001 0.000 0.217 1220 A C 2.057 179.699 177.584 0.096 0.000 1.181 1220 A CA 1.522 53.599 52.037 0.067 0.000 0.623 1220 A CB -0.300 18.710 19.000 0.018 0.000 0.818 1220 A HN 0.118 nan 8.150 nan 0.000 0.443 1221 K N -0.517 119.920 120.400 0.061 0.000 2.155 1221 K HA 0.062 4.381 4.320 -0.001 0.000 0.203 1221 K C 2.290 178.986 176.600 0.161 0.000 1.052 1221 K CA 0.804 57.153 56.287 0.103 0.000 0.948 1221 K CB -0.217 32.307 32.500 0.040 0.000 0.728 1221 K HN 0.441 nan 8.250 nan 0.000 0.448 1222 A N 2.094 124.970 122.820 0.093 0.000 1.858 1222 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 1222 A C 1.927 179.683 177.584 0.285 0.000 1.190 1222 A CA 1.477 53.567 52.037 0.089 0.000 0.617 1222 A CB -0.289 18.606 19.000 -0.175 0.000 0.827 1222 A HN 0.167 nan 8.150 nan 0.000 0.443 1223 K N -1.733 118.875 120.400 0.346 0.000 2.103 1223 K HA -0.185 4.134 4.320 -0.001 0.000 0.207 1223 K C 1.988 178.746 176.600 0.263 0.000 1.048 1223 K CA 1.792 58.275 56.287 0.327 0.000 0.930 1223 K CB -0.388 32.264 32.500 0.254 0.000 0.716 1223 K HN 0.648 nan 8.250 nan 0.000 0.444 1224 Y N 1.698 122.077 120.300 0.132 0.000 2.133 1224 Y HA -0.177 4.373 4.550 -0.001 0.000 0.287 1224 Y C 1.807 177.763 175.900 0.092 0.000 1.134 1224 Y CA 1.339 59.513 58.100 0.123 0.000 1.133 1224 Y CB -0.321 38.188 38.460 0.081 0.000 0.987 1224 Y HN -0.097 nan 8.280 nan 0.000 0.502 1225 L N -0.178 121.062 121.223 0.029 0.000 2.017 1225 L HA -0.249 4.090 4.340 -0.001 0.000 0.208 1225 L C 2.530 179.375 176.870 -0.042 0.000 1.073 1225 L CA 1.594 56.373 54.840 -0.103 0.000 0.745 1225 L CB -0.648 41.421 42.059 0.017 0.000 0.894 1225 L HN 0.308 nan 8.230 nan 0.000 0.432 1226 I N -0.899 119.711 120.570 0.066 0.000 2.163 1226 I HA -0.331 3.838 4.170 -0.001 0.000 0.243 1226 I C 2.867 179.009 176.117 0.041 0.000 1.085 1226 I CA 1.441 62.788 61.300 0.078 0.000 1.347 1226 I CB -0.328 37.763 38.000 0.151 0.000 1.044 1226 I HN 0.250 nan 8.210 nan 0.000 0.408 1227 S N 1.003 116.734 115.700 0.052 0.000 2.359 1227 S HA -0.174 4.295 4.470 -0.001 0.000 0.224 1227 S C 2.069 176.708 174.600 0.064 0.000 1.035 1227 S CA 1.418 59.658 58.200 0.066 0.000 1.018 1227 S CB -0.292 62.984 63.200 0.127 0.000 0.876 1227 S HN 0.296 nan 8.310 nan 0.000 0.448 1228 L N 0.934 122.139 121.223 -0.030 0.000 2.017 1228 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 1228 L C 2.922 179.820 176.870 0.047 0.000 1.073 1228 L CA 1.345 56.160 54.840 -0.040 0.000 0.745 1228 L CB -0.687 41.178 42.059 -0.324 0.000 0.894 1228 L HN 0.421 nan 8.230 nan 0.000 0.432 1229 A N -0.140 122.685 122.820 0.007 0.000 1.978 1229 A HA -0.213 4.106 4.320 -0.001 0.000 0.220 1229 A C 2.268 179.873 177.584 0.035 0.000 1.170 1229 A CA 1.505 53.561 52.037 0.031 0.000 0.636 1229 A CB -0.500 18.511 19.000 0.019 0.000 0.810 1229 A HN 0.359 nan 8.150 nan 0.000 0.448 1230 R N -1.191 119.328 120.500 0.032 0.000 2.323 1230 R HA -0.001 4.338 4.340 -0.001 0.000 0.198 1230 R C -0.054 176.261 176.300 0.025 0.000 0.988 1230 R CA 0.569 56.683 56.100 0.023 0.000 1.041 1230 R CB -0.014 30.296 30.300 0.017 0.000 0.926 1230 R HN 0.445 nan 8.270 nan 0.000 0.476 1231 D N 0.586 121.013 120.400 0.044 0.000 2.775 1231 D HA -0.169 4.470 4.640 -0.001 0.000 0.235 1231 D C -0.117 176.213 176.300 0.050 0.000 1.120 1231 D CA 0.978 54.998 54.000 0.033 0.000 0.708 1231 D CB -0.961 39.830 40.800 -0.015 0.000 1.084 1231 D HN 0.475 nan 8.370 nan 0.000 0.434 1232 E N -1.165 119.084 120.200 0.082 0.000 2.606 1232 E HA 0.013 4.362 4.350 -0.001 0.000 0.224 1232 E C 0.239 176.895 176.600 0.094 0.000 0.930 1232 E CA -0.488 55.951 56.400 0.065 0.000 1.125 1232 E CB 0.627 30.347 29.700 0.033 0.000 1.123 1232 E HN 0.426 nan 8.360 nan 0.000 0.522 1233 Y N 1.903 122.216 120.300 0.022 0.000 2.721 1233 Y HA -0.020 4.529 4.550 -0.002 0.000 0.329 1233 Y C 0.401 176.323 175.900 0.037 0.000 1.211 1233 Y CA 0.647 58.762 58.100 0.025 0.000 1.512 1233 Y CB 0.287 38.753 38.460 0.010 0.000 1.249 1233 Y HN -0.129 nan 8.280 nan 0.000 0.549 1234 N N 3.797 122.269 118.700 -0.380 0.000 2.545 1234 N HA 0.034 4.773 4.740 -0.001 0.000 0.283 1234 N C -1.502 173.815 175.510 -0.322 0.000 1.596 1234 N CA -0.175 52.741 53.050 -0.223 0.000 0.862 1234 N CB 0.196 38.625 38.487 -0.097 0.000 1.422 1234 N HN 0.594 nan 8.380 nan 0.000 0.489 1235 E N 1.019 120.841 120.200 -0.630 0.000 2.376 1235 E HA 0.172 4.521 4.350 -0.001 0.000 0.266 1235 E C -2.150 174.351 176.600 -0.164 0.000 1.009 1235 E CA -1.288 54.882 56.400 -0.384 0.000 0.902 1235 E CB 0.291 29.742 29.700 -0.416 0.000 0.972 1235 E HN 0.288 nan 8.360 nan 0.000 0.439 1236 P HA 0.106 nan 4.420 nan 0.000 0.272 1236 P C -0.234 177.042 177.300 -0.039 0.000 1.223 1236 P CA -0.394 62.675 63.100 -0.051 0.000 0.784 1236 P CB 0.420 32.097 31.700 -0.039 0.000 0.923 1237 I N 3.303 123.870 120.570 -0.005 0.000 2.517 1237 I HA 0.152 4.321 4.170 -0.001 0.000 0.285 1237 I C 1.095 177.227 176.117 0.024 0.000 1.106 1237 I CA 0.653 61.963 61.300 0.016 0.000 1.402 1237 I CB -0.315 37.730 38.000 0.074 0.000 1.399 1237 I HN 0.348 nan 8.210 nan 0.000 0.535 1238 R N 2.429 122.943 120.500 0.022 0.000 2.774 1238 R HA 0.653 4.992 4.340 -0.001 0.000 0.272 1238 R C -0.914 175.412 176.300 0.044 0.000 1.000 1238 R CA -0.968 55.149 56.100 0.029 0.000 0.906 1238 R CB 0.474 30.783 30.300 0.014 0.000 1.227 1238 R HN 0.316 nan 8.270 nan 0.000 0.468 1239 T N 2.392 116.972 114.554 0.043 0.000 2.867 1239 T HA 0.094 4.443 4.350 -0.001 0.000 0.297 1239 T C 0.145 174.873 174.700 0.047 0.000 0.989 1239 T CA -0.115 62.014 62.100 0.049 0.000 1.159 1239 T CB 0.141 69.034 68.868 0.041 0.000 0.928 1239 T HN 0.232 nan 8.240 nan 0.000 0.538 1240 R N 2.054 122.588 120.500 0.056 0.000 2.390 1240 R HA 0.418 4.757 4.340 -0.001 0.000 0.291 1240 R C -0.591 175.742 176.300 0.055 0.000 1.070 1240 R CA -0.568 55.564 56.100 0.055 0.000 1.014 1240 R CB 0.798 31.136 30.300 0.063 0.000 1.007 1240 R HN 0.372 nan 8.270 nan 0.000 0.466 1241 V N 3.826 123.775 119.914 0.058 0.000 2.398 1241 V HA 0.249 4.368 4.120 -0.001 0.000 0.286 1241 V C 0.425 176.576 176.094 0.094 0.000 1.026 1241 V CA -0.948 61.394 62.300 0.070 0.000 0.868 1241 V CB 1.334 33.201 31.823 0.073 0.000 0.982 1241 V HN 0.624 nan 8.190 nan 0.000 0.443 1242 R N 3.111 123.675 120.500 0.107 0.000 2.538 1242 R HA 0.108 4.447 4.340 -0.001 0.000 0.282 1242 R C 0.921 177.379 176.300 0.263 0.000 1.009 1242 R CA 0.685 56.876 56.100 0.152 0.000 1.063 1242 R CB 0.244 30.616 30.300 0.120 0.000 0.945 1242 R HN 0.671 nan 8.270 nan 0.000 0.414 1243 K N 0.317 120.847 120.400 0.216 0.000 2.399 1243 K HA 0.137 4.456 4.320 -0.001 0.000 0.196 1243 K C -0.238 176.379 176.600 0.028 0.000 1.103 1243 K CA 0.391 56.754 56.287 0.126 0.000 0.986 1243 K CB 0.728 33.242 32.500 0.023 0.000 0.952 1243 K HN 0.705 nan 8.250 nan 0.000 0.541 1244 S N 0.052 115.854 115.700 0.170 0.000 2.556 1244 S HA 0.584 5.053 4.470 -0.001 0.000 0.271 1244 S C -1.082 173.704 174.600 0.309 0.000 1.135 1244 S CA -0.987 57.312 58.200 0.166 0.000 0.858 1244 S CB 1.901 65.115 63.200 0.023 0.000 1.114 1244 S HN -0.091 nan 8.310 nan 0.000 0.468 1245 I N 1.596 122.394 120.570 0.381 0.000 2.512 1245 I HA 0.769 4.938 4.170 -0.001 0.000 0.287 1245 I C 0.429 176.721 176.117 0.291 0.000 1.069 1245 I CA -0.092 61.387 61.300 0.299 0.000 1.056 1245 I CB 1.237 39.396 38.000 0.264 0.000 1.229 1245 I HN 1.130 nan 8.210 nan 0.000 0.429 1246 G N 4.974 113.896 108.800 0.203 0.000 2.687 1246 G HA2 0.772 4.731 3.960 -0.001 0.000 0.291 1246 G HA3 0.772 4.731 3.960 -0.001 0.000 0.291 1246 G C -1.705 173.286 174.900 0.151 0.000 1.420 1246 G CA -0.672 44.533 45.100 0.176 0.000 0.796 1246 G HN 0.438 nan 8.290 nan 0.000 0.485 1247 R N -0.847 119.734 120.500 0.135 0.000 2.584 1247 R HA 0.713 5.053 4.340 -0.001 0.000 0.276 1247 R C -1.917 174.445 176.300 0.102 0.000 1.046 1247 R CA -0.615 55.560 56.100 0.126 0.000 0.906 1247 R CB 1.655 32.047 30.300 0.154 0.000 1.215 1247 R HN 0.669 nan 8.270 nan 0.000 0.449 1248 I N 4.790 125.413 120.570 0.088 0.000 2.647 1248 I HA 0.719 4.888 4.170 -0.001 0.000 0.295 1248 I C -1.195 174.967 176.117 0.075 0.000 1.078 1248 I CA -0.964 60.379 61.300 0.072 0.000 1.048 1248 I CB 2.036 40.065 38.000 0.049 0.000 1.239 1248 I HN 0.576 nan 8.210 nan 0.000 0.421 1249 V N 2.017 121.976 119.914 0.074 0.000 3.007 1249 V HA 0.656 4.776 4.120 -0.001 0.000 0.311 1249 V C -0.464 175.646 176.094 0.027 0.000 1.120 1249 V CA -0.406 61.944 62.300 0.083 0.000 0.980 1249 V CB 1.658 33.576 31.823 0.159 0.000 1.033 1249 V HN 0.696 nan 8.190 nan 0.000 0.429 1250 T N 5.113 119.677 114.554 0.015 0.000 2.845 1250 T HA 0.566 4.915 4.350 -0.001 0.000 0.288 1250 T C 0.065 174.686 174.700 -0.133 0.000 0.980 1250 T CA -0.351 61.714 62.100 -0.057 0.000 1.071 1250 T CB 0.965 69.814 68.868 -0.033 0.000 0.941 1250 T HN 0.728 nan 8.240 nan 0.000 0.487 1251 M N 2.721 122.102 119.600 -0.365 0.000 2.235 1251 M HA 0.287 4.766 4.480 -0.001 0.000 0.351 1251 M C 1.402 177.585 176.300 -0.194 0.000 1.178 1251 M CA -0.518 54.334 55.300 -0.747 0.000 1.143 1251 M CB 0.971 32.992 32.600 -0.966 0.000 1.530 1251 M HN 0.586 nan 8.290 nan 0.000 0.461 1252 K N 1.322 121.759 120.400 0.061 0.000 2.074 1252 K HA -0.171 4.148 4.320 -0.001 0.000 0.209 1252 K C 0.294 176.939 176.600 0.075 0.000 1.048 1252 K CA 1.602 57.967 56.287 0.130 0.000 0.926 1252 K CB -0.025 32.599 32.500 0.205 0.000 0.713 1252 K HN 0.626 nan 8.250 nan 0.000 0.444 1253 R N -0.074 120.448 120.500 0.037 0.000 2.725 1253 R HA 0.329 4.669 4.340 -0.001 0.000 0.277 1253 R C -1.134 175.148 176.300 -0.030 0.000 0.987 1253 R CA -1.096 55.016 56.100 0.020 0.000 0.901 1253 R CB 0.721 31.047 30.300 0.044 0.000 1.207 1253 R HN -0.237 nan 8.270 nan 0.000 0.463 1254 N N 0.541 119.229 118.700 -0.019 0.000 2.395 1254 N HA 0.186 4.926 4.740 -0.001 0.000 0.246 1254 N C -0.829 174.666 175.510 -0.025 0.000 1.246 1254 N CA 0.361 53.392 53.050 -0.032 0.000 0.879 1254 N CB 1.107 39.587 38.487 -0.013 0.000 1.098 1254 N HN 0.628 nan 8.380 nan 0.000 0.444 1255 S N 0.328 116.009 115.700 -0.032 0.000 2.567 1255 S HA 0.499 4.968 4.470 -0.001 0.000 0.270 1255 S C -0.443 174.147 174.600 -0.017 0.000 1.152 1255 S CA -0.718 57.471 58.200 -0.019 0.000 0.835 1255 S CB 0.971 64.163 63.200 -0.014 0.000 1.115 1255 S HN 0.599 nan 8.310 nan 0.000 0.459 1256 R N 1.061 121.557 120.500 -0.007 0.000 2.549 1256 R HA 0.265 4.604 4.340 -0.001 0.000 0.361 1256 R C -0.106 176.193 176.300 -0.000 0.000 0.969 1256 R CA -0.201 55.896 56.100 -0.005 0.000 1.158 1256 R CB 0.382 30.680 30.300 -0.003 0.000 1.456 1256 R HN 0.595 nan 8.270 nan 0.000 0.540 1257 N N 1.620 120.322 118.700 0.003 0.000 2.422 1257 N HA 0.007 4.747 4.740 -0.001 0.000 0.266 1257 N C 0.789 176.302 175.510 0.005 0.000 1.007 1257 N CA -0.067 52.987 53.050 0.007 0.000 0.941 1257 N CB 1.500 39.994 38.487 0.012 0.000 1.115 1257 N HN 0.011 nan 8.380 nan 0.000 0.492 1258 L N 4.496 125.720 121.223 0.002 0.000 2.046 1258 L HA -0.054 4.285 4.340 -0.001 0.000 0.208 1258 L C 1.873 178.730 176.870 -0.022 0.000 1.077 1258 L CA 1.827 56.662 54.840 -0.007 0.000 0.747 1258 L CB -0.354 41.706 42.059 0.001 0.000 0.896 1258 L HN 0.603 nan 8.230 nan 0.000 0.432 1259 E N -0.383 119.810 120.200 -0.010 0.000 2.274 1259 E HA -0.224 4.126 4.350 -0.001 0.000 0.194 1259 E C 1.994 178.587 176.600 -0.011 0.000 0.996 1259 E CA 0.909 57.298 56.400 -0.018 0.000 0.840 1259 E CB 0.096 29.795 29.700 -0.001 0.000 0.772 1259 E HN 0.697 nan 8.360 nan 0.000 0.491 1260 E N 0.477 120.687 120.200 0.017 0.000 2.072 1260 E HA -0.068 4.282 4.350 -0.001 0.000 0.190 1260 E C 2.051 178.730 176.600 0.131 0.000 0.982 1260 E CA 0.552 56.991 56.400 0.065 0.000 0.803 1260 E CB 0.076 29.814 29.700 0.065 0.000 0.755 1260 E HN 0.160 nan 8.360 nan 0.000 0.453 1261 I N 0.583 121.198 120.570 0.076 0.000 2.406 1261 I HA -0.187 3.983 4.170 -0.001 0.000 0.249 1261 I C 2.333 178.470 176.117 0.033 0.000 1.122 1261 I CA 0.710 62.071 61.300 0.101 0.000 1.431 1261 I CB -0.144 37.861 38.000 0.009 0.000 1.087 1261 I HN 0.025 nan 8.210 nan 0.000 0.424 1262 K N 0.744 121.053 120.400 -0.152 0.000 2.089 1262 K HA -0.203 4.116 4.320 -0.001 0.000 0.210 1262 K C -0.585 175.636 176.600 -0.631 0.000 1.048 1262 K CA 1.902 57.875 56.287 -0.523 0.000 0.926 1262 K CB -1.063 31.112 32.500 -0.541 0.000 0.714 1262 K HN 0.275 nan 8.250 nan 0.000 0.448 1263 P HA -0.118 nan 4.420 nan 0.000 0.221 1263 P C 0.577 177.789 177.300 -0.147 0.000 1.150 1263 P CA 1.108 64.092 63.100 -0.193 0.000 0.800 1263 P CB 0.050 31.617 31.700 -0.221 0.000 0.787 1264 Y N -1.038 119.233 120.300 -0.050 0.000 2.184 1264 Y HA -0.080 4.469 4.550 -0.001 0.000 0.290 1264 Y C 2.239 178.165 175.900 0.044 0.000 1.129 1264 Y CA 0.676 58.781 58.100 0.009 0.000 1.144 1264 Y CB -1.242 37.215 38.460 -0.004 0.000 0.995 1264 Y HN -0.159 nan 8.280 nan 0.000 0.513 1265 L N -0.868 120.447 121.223 0.153 0.000 2.042 1265 L HA -0.224 4.115 4.340 -0.001 0.000 0.210 1265 L C 1.909 178.985 176.870 0.343 0.000 1.076 1265 L CA 1.800 56.733 54.840 0.155 0.000 0.749 1265 L CB -0.906 41.172 42.059 0.032 0.000 0.893 1265 L HN 0.074 nan 8.230 nan 0.000 0.432 1266 F N -0.181 119.895 119.950 0.210 0.000 2.186 1266 F HA -0.078 4.448 4.527 -0.001 0.000 0.299 1266 F C 2.780 178.728 175.800 0.246 0.000 1.090 1266 F CA 1.178 59.361 58.000 0.305 0.000 1.307 1266 F CB -1.090 38.095 39.000 0.307 0.000 1.019 1266 F HN 0.164 nan 8.300 nan 0.000 0.489 1267 R N 0.480 121.184 120.500 0.340 0.000 2.092 1267 R HA -0.086 4.253 4.340 -0.001 0.000 0.231 1267 R C 2.308 178.734 176.300 0.211 0.000 1.119 1267 R CA 1.119 57.352 56.100 0.223 0.000 0.970 1267 R CB -0.380 30.000 30.300 0.132 0.000 0.864 1267 R HN 0.213 nan 8.270 nan 0.000 0.440 1268 A N 1.340 124.293 122.820 0.222 0.000 1.883 1268 A HA -0.183 4.137 4.320 -0.001 0.000 0.217 1268 A C 2.162 179.891 177.584 0.242 0.000 1.186 1268 A CA 1.500 53.661 52.037 0.206 0.000 0.624 1268 A CB -0.542 18.569 19.000 0.185 0.000 0.822 1268 A HN 0.327 nan 8.150 nan 0.000 0.444 1269 I N -0.679 120.049 120.570 0.264 0.000 2.179 1269 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 1269 I C 2.623 178.877 176.117 0.228 0.000 1.088 1269 I CA 1.377 62.841 61.300 0.273 0.000 1.357 1269 I CB -0.403 37.645 38.000 0.080 0.000 1.051 1269 I HN 0.304 nan 8.210 nan 0.000 0.409 1270 E N 0.927 121.236 120.200 0.182 0.000 2.049 1270 E HA -0.261 4.088 4.350 -0.001 0.000 0.198 1270 E C 2.098 178.822 176.600 0.207 0.000 1.007 1270 E CA 1.632 58.135 56.400 0.172 0.000 0.809 1270 E CB -0.265 29.543 29.700 0.179 0.000 0.749 1270 E HN 0.560 nan 8.360 nan 0.000 0.450 1271 E N 0.199 120.512 120.200 0.188 0.000 2.106 1271 E HA -0.085 4.264 4.350 -0.001 0.000 0.192 1271 E C 2.274 179.016 176.600 0.237 0.000 0.984 1271 E CA 0.758 57.264 56.400 0.176 0.000 0.806 1271 E CB -0.030 29.739 29.700 0.116 0.000 0.750 1271 E HN 0.021 nan 8.360 nan 0.000 0.458 1272 S N 0.199 116.059 115.700 0.268 0.000 2.359 1272 S HA -0.191 4.278 4.470 -0.001 0.000 0.224 1272 S C 1.737 176.458 174.600 0.201 0.000 1.035 1272 S CA 1.101 59.487 58.200 0.310 0.000 1.018 1272 S CB -0.324 63.189 63.200 0.521 0.000 0.876 1272 S HN 0.330 nan 8.310 nan 0.000 0.448 1273 Y N 0.204 120.528 120.300 0.040 0.000 2.242 1273 Y HA -0.165 4.384 4.550 -0.001 0.000 0.291 1273 Y C 2.153 178.019 175.900 -0.056 0.000 1.137 1273 Y CA 1.485 59.490 58.100 -0.158 0.000 1.181 1273 Y CB -0.447 37.880 38.460 -0.221 0.000 0.989 1273 Y HN 0.364 nan 8.280 nan 0.000 0.527 1274 Y N 0.956 121.314 120.300 0.096 0.000 2.151 1274 Y HA -0.325 4.224 4.550 -0.001 0.000 0.284 1274 Y C 2.143 178.029 175.900 -0.023 0.000 1.166 1274 Y CA 2.169 60.293 58.100 0.041 0.000 1.163 1274 Y CB -0.248 38.243 38.460 0.051 0.000 0.974 1274 Y HN -0.022 nan 8.280 nan 0.000 0.511 1275 K N -0.021 120.452 120.400 0.121 0.000 2.365 1275 K HA -0.089 4.231 4.320 -0.001 0.000 0.199 1275 K C 1.903 178.419 176.600 -0.140 0.000 1.045 1275 K CA 0.945 57.252 56.287 0.033 0.000 0.962 1275 K CB -0.181 32.386 32.500 0.112 0.000 0.759 1275 K HN 0.387 nan 8.250 nan 0.000 0.469 1276 L N 0.859 121.934 121.223 -0.247 0.000 2.127 1276 L HA -0.196 4.143 4.340 -0.001 0.000 0.211 1276 L C 0.352 177.000 176.870 -0.371 0.000 1.089 1276 L CA 0.921 55.523 54.840 -0.396 0.000 0.757 1276 L CB -0.725 40.966 42.059 -0.614 0.000 0.899 1276 L HN 0.379 nan 8.230 nan 0.000 0.434 1277 D N 0.304 120.510 120.400 -0.323 0.000 2.812 1277 D HA -0.241 4.398 4.640 -0.001 0.000 0.237 1277 D C 0.711 176.868 176.300 -0.239 0.000 1.162 1277 D CA 0.785 54.622 54.000 -0.273 0.000 0.740 1277 D CB -0.430 40.239 40.800 -0.219 0.000 1.000 1277 D HN 0.354 nan 8.370 nan 0.000 0.416 1278 K N -1.711 118.551 120.400 -0.229 0.000 3.578 1278 K HA -0.242 4.077 4.320 -0.001 0.000 0.270 1278 K C 0.567 177.047 176.600 -0.200 0.000 1.003 1278 K CA 1.379 57.560 56.287 -0.177 0.000 1.128 1278 K CB -1.201 31.219 32.500 -0.132 0.000 1.341 1278 K HN 0.596 nan 8.250 nan 0.000 0.499 1279 R N 1.205 121.528 120.500 -0.295 0.000 2.623 1279 R HA 0.143 4.482 4.340 -0.001 0.000 0.271 1279 R C 0.456 176.598 176.300 -0.264 0.000 1.043 1279 R CA 0.234 56.130 56.100 -0.340 0.000 1.083 1279 R CB 0.281 30.160 30.300 -0.701 0.000 0.974 1279 R HN 0.032 nan 8.270 nan 0.000 0.436 1280 I N 5.390 125.911 120.570 -0.082 0.000 2.382 1280 I HA 0.291 4.460 4.170 -0.001 0.000 0.286 1280 I C -2.170 174.057 176.117 0.183 0.000 1.002 1280 I CA -3.145 58.157 61.300 0.003 0.000 1.135 1280 I CB 1.307 39.328 38.000 0.034 0.000 1.288 1280 I HN 0.375 nan 8.210 nan 0.000 0.448 1281 P HA 0.385 nan 4.420 nan 0.000 0.288 1281 P C -0.208 177.228 177.300 0.226 0.000 1.267 1281 P CA -0.554 62.743 63.100 0.327 0.000 0.815 1281 P CB 1.806 33.749 31.700 0.404 0.000 0.989 1282 K N 0.766 121.273 120.400 0.179 0.000 2.353 1282 K HA 0.407 4.726 4.320 -0.001 0.000 0.195 1282 K C 0.496 177.237 176.600 0.236 0.000 1.031 1282 K CA 0.033 56.427 56.287 0.179 0.000 1.079 1282 K CB 0.763 33.332 32.500 0.115 0.000 0.857 1282 K HN 0.515 nan 8.250 nan 0.000 0.535 1283 A N 1.439 124.382 122.820 0.205 0.000 2.435 1283 A HA 0.685 5.004 4.320 -0.001 0.000 0.304 1283 A C -1.459 176.252 177.584 0.211 0.000 1.064 1283 A CA -0.700 51.444 52.037 0.178 0.000 0.727 1283 A CB 1.254 20.312 19.000 0.097 0.000 1.284 1283 A HN 0.216 nan 8.150 nan 0.000 0.415 1284 I N 1.433 122.059 120.570 0.094 0.000 2.647 1284 I HA 0.585 4.754 4.170 -0.001 0.000 0.295 1284 I C -1.395 174.589 176.117 -0.221 0.000 1.078 1284 I CA -0.414 60.840 61.300 -0.077 0.000 1.048 1284 I CB 1.682 39.671 38.000 -0.019 0.000 1.239 1284 I HN 0.776 nan 8.210 nan 0.000 0.421 1285 H N 5.603 124.558 119.070 -0.191 0.000 2.717 1285 H HA 0.520 5.075 4.556 -0.001 0.000 0.366 1285 H C -1.235 174.021 175.328 -0.121 0.000 1.132 1285 H CA -0.695 55.282 56.048 -0.117 0.000 1.180 1285 H CB 2.604 32.309 29.762 -0.095 0.000 1.678 1285 H HN 0.297 nan 8.280 nan 0.000 0.537 1286 V N 2.801 122.735 119.914 0.032 0.000 2.581 1286 V HA 0.263 4.382 4.120 -0.001 0.000 0.303 1286 V C -0.114 176.002 176.094 0.037 0.000 1.041 1286 V CA -0.747 61.567 62.300 0.022 0.000 0.907 1286 V CB 2.260 34.097 31.823 0.023 0.000 0.994 1286 V HN 0.422 nan 8.190 nan 0.000 0.442 1287 V N 3.761 123.691 119.914 0.027 0.000 2.680 1287 V HA 0.936 5.056 4.120 -0.001 0.000 0.309 1287 V C -0.129 175.973 176.094 0.013 0.000 1.052 1287 V CA -0.227 62.085 62.300 0.020 0.000 0.908 1287 V CB 1.830 33.661 31.823 0.014 0.000 1.001 1287 V HN 1.129 nan 8.190 nan 0.000 0.431 1288 A N 5.866 128.690 122.820 0.006 0.000 2.330 1288 A HA 0.800 5.119 4.320 -0.001 0.000 0.313 1288 A C -0.983 176.596 177.584 -0.007 0.000 1.124 1288 A CA -0.520 51.515 52.037 -0.004 0.000 0.774 1288 A CB 1.638 20.635 19.000 -0.005 0.000 1.198 1288 A HN 0.928 nan 8.150 nan 0.000 0.465 1289 V N 2.904 122.810 119.914 -0.013 0.000 2.465 1289 V HA 0.491 4.611 4.120 -0.001 0.000 0.279 1289 V C 0.992 177.076 176.094 -0.016 0.000 1.045 1289 V CA 0.020 62.313 62.300 -0.012 0.000 0.938 1289 V CB 1.246 33.062 31.823 -0.012 0.000 0.986 1289 V HN 1.069 nan 8.190 nan 0.000 0.467 1290 T N 0.718 115.265 114.554 -0.011 0.000 2.824 1290 T HA 0.321 4.671 4.350 -0.001 0.000 0.277 1290 T C 1.034 175.729 174.700 -0.009 0.000 0.975 1290 T CA -0.500 61.593 62.100 -0.011 0.000 0.966 1290 T CB 1.112 69.976 68.868 -0.008 0.000 1.054 1290 T HN 0.657 nan 8.240 nan 0.000 0.533 1291 E N 0.981 121.176 120.200 -0.007 0.000 2.086 1291 E HA -0.224 4.125 4.350 -0.001 0.000 0.205 1291 E C 1.079 177.680 176.600 0.001 0.000 1.027 1291 E CA 1.930 58.329 56.400 -0.002 0.000 0.830 1291 E CB -0.257 29.442 29.700 -0.002 0.000 0.751 1291 E HN 0.878 nan 8.360 nan 0.000 0.456 1292 D N -0.032 120.368 120.400 -0.000 0.000 2.400 1292 D HA 0.013 4.652 4.640 -0.001 0.000 0.243 1292 D C 0.405 176.705 176.300 0.001 0.000 1.184 1292 D CA -0.087 53.914 54.000 0.001 0.000 0.853 1292 D CB 0.007 40.807 40.800 0.000 0.000 0.944 1292 D HN 0.064 nan 8.370 nan 0.000 0.501 1293 L N -0.992 120.231 121.223 0.000 0.000 4.813 1293 L HA -0.240 4.099 4.340 -0.001 0.000 0.434 1293 L C -0.241 176.627 176.870 -0.002 0.000 1.106 1293 L CA 0.727 55.567 54.840 -0.000 0.000 0.991 1293 L CB -1.871 40.189 42.059 0.002 0.000 2.005 1293 L HN 0.167 nan 8.230 nan 0.000 0.817 1294 D N 0.207 120.605 120.400 -0.003 0.000 2.383 1294 D HA 0.362 5.001 4.640 -0.001 0.000 0.252 1294 D C 0.496 176.793 176.300 -0.005 0.000 1.166 1294 D CA 0.048 54.045 54.000 -0.004 0.000 0.879 1294 D CB 0.448 41.246 40.800 -0.004 0.000 1.164 1294 D HN 0.202 nan 8.370 nan 0.000 0.462 1295 I N 3.648 124.215 120.570 -0.005 0.000 2.337 1295 I HA 0.179 4.348 4.170 -0.001 0.000 0.291 1295 I C -0.244 175.871 176.117 -0.003 0.000 1.046 1295 I CA -0.587 60.711 61.300 -0.005 0.000 1.324 1295 I CB 1.002 38.999 38.000 -0.006 0.000 1.409 1295 I HN -0.009 nan 8.210 nan 0.000 0.494 1296 V N 5.762 125.675 119.914 -0.001 0.000 2.540 1296 V HA 0.536 4.655 4.120 -0.001 0.000 0.302 1296 V C -0.119 175.981 176.094 0.010 0.000 1.035 1296 V CA -0.297 62.004 62.300 0.003 0.000 0.873 1296 V CB 2.138 33.962 31.823 0.001 0.000 0.992 1296 V HN 0.892 nan 8.190 nan 0.000 0.428 1297 S N 5.983 121.694 115.700 0.018 0.000 2.569 1297 S HA 0.867 5.336 4.470 -0.001 0.000 0.280 1297 S C -1.175 173.454 174.600 0.048 0.000 1.111 1297 S CA -1.067 57.156 58.200 0.038 0.000 0.887 1297 S CB 2.788 66.019 63.200 0.050 0.000 1.095 1297 S HN 0.524 nan 8.310 nan 0.000 0.476 1298 R N 0.448 120.977 120.500 0.048 0.000 2.673 1298 R HA 0.812 5.151 4.340 -0.001 0.000 0.281 1298 R C -0.090 176.177 176.300 -0.055 0.000 0.991 1298 R CA -0.443 55.663 56.100 0.011 0.000 0.896 1298 R CB 1.786 32.079 30.300 -0.012 0.000 1.201 1298 R HN 1.054 nan 8.270 nan 0.000 0.457 1299 G N 0.444 109.123 108.800 -0.201 0.000 2.733 1299 G HA2 0.733 4.692 3.960 -0.001 0.000 0.288 1299 G HA3 0.733 4.692 3.960 -0.001 0.000 0.288 1299 G C -1.407 173.229 174.900 -0.440 0.000 1.373 1299 G CA -0.552 44.169 45.100 -0.631 0.000 0.895 1299 G HN 0.351 nan 8.290 nan 0.000 0.479 1300 R N -0.684 119.536 120.500 -0.467 0.000 2.626 1300 R HA 0.591 4.930 4.340 -0.001 0.000 0.274 1300 R C -1.420 174.647 176.300 -0.388 0.000 1.031 1300 R CA -0.466 55.391 56.100 -0.405 0.000 0.898 1300 R CB 2.100 32.139 30.300 -0.436 0.000 1.222 1300 R HN 0.556 nan 8.270 nan 0.000 0.455 1301 T N 3.759 118.073 114.554 -0.401 0.000 2.823 1301 T HA 0.534 4.883 4.350 -0.001 0.000 0.279 1301 T C -1.013 173.433 174.700 -0.424 0.000 0.998 1301 T CA -0.230 61.722 62.100 -0.247 0.000 0.994 1301 T CB 0.558 69.352 68.868 -0.123 0.000 0.960 1301 T HN 0.247 nan 8.240 nan 0.000 0.448 1302 F N 3.091 122.966 119.950 -0.125 0.000 2.507 1302 F HA 0.403 4.930 4.527 -0.001 0.000 0.327 1302 F C -1.334 174.330 175.800 -0.227 0.000 1.068 1302 F CA -2.475 55.381 58.000 -0.241 0.000 0.965 1302 F CB 1.393 40.138 39.000 -0.425 0.000 1.192 1302 F HN 0.334 nan 8.300 nan 0.000 0.476 1303 P HA -0.113 nan 4.420 nan 0.000 0.225 1303 P C -0.284 177.062 177.300 0.078 0.000 1.148 1303 P CA 1.610 64.726 63.100 0.026 0.000 0.779 1303 P CB -0.147 31.610 31.700 0.095 0.000 0.780 1304 H N -2.738 116.428 119.070 0.161 0.000 2.906 1304 H HA 0.597 5.153 4.556 -0.001 0.000 0.337 1304 H C 0.083 175.471 175.328 0.101 0.000 1.257 1304 H CA -1.105 55.005 56.048 0.103 0.000 1.192 1304 H CB 0.461 30.263 29.762 0.066 0.000 1.912 1304 H HN -0.161 nan 8.280 nan 0.000 0.573 1305 G N 0.147 109.104 108.800 0.261 0.000 2.594 1305 G HA2 0.376 4.335 3.960 -0.001 0.000 0.243 1305 G HA3 0.376 4.335 3.960 -0.001 0.000 0.243 1305 G C -0.309 174.686 174.900 0.158 0.000 1.229 1305 G CA -0.606 44.600 45.100 0.177 0.000 0.843 1305 G HN 0.499 nan 8.290 nan 0.000 0.578 1306 I N 1.478 122.103 120.570 0.092 0.000 2.330 1306 I HA 0.195 4.364 4.170 -0.001 0.000 0.289 1306 I C 0.910 177.089 176.117 0.105 0.000 1.001 1306 I CA -0.466 60.840 61.300 0.010 0.000 1.193 1306 I CB 1.554 39.611 38.000 0.095 0.000 1.345 1306 I HN 0.574 nan 8.210 nan 0.000 0.461 1307 S N 4.885 120.588 115.700 0.004 0.000 2.608 1307 S HA 0.184 4.653 4.470 -0.001 0.000 0.261 1307 S C 1.094 175.519 174.600 -0.292 0.000 1.314 1307 S CA -0.467 57.689 58.200 -0.073 0.000 0.992 1307 S CB 1.353 64.497 63.200 -0.093 0.000 0.935 1307 S HN 0.713 nan 8.310 nan 0.000 0.564 1308 K N 0.496 120.480 120.400 -0.694 0.000 2.057 1308 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 1308 K C 1.854 178.232 176.600 -0.370 0.000 1.049 1308 K CA 1.730 57.498 56.287 -0.864 0.000 0.931 1308 K CB -0.327 31.619 32.500 -0.924 0.000 0.714 1308 K HN 0.674 nan 8.250 nan 0.000 0.440 1309 E N -0.119 119.997 120.200 -0.139 0.000 2.033 1309 E HA -0.175 4.175 4.350 -0.001 0.000 0.199 1309 E C 2.010 178.630 176.600 0.033 0.000 1.011 1309 E CA 2.090 58.516 56.400 0.044 0.000 0.815 1309 E CB -0.765 28.928 29.700 -0.013 0.000 0.755 1309 E HN 0.287 nan 8.360 nan 0.000 0.451 1310 T N 0.801 115.330 114.554 -0.042 0.000 2.699 1310 T HA -0.233 4.116 4.350 -0.001 0.000 0.268 1310 T C 1.891 176.595 174.700 0.007 0.000 1.036 1310 T CA 1.628 63.703 62.100 -0.041 0.000 1.147 1310 T CB -0.553 68.227 68.868 -0.146 0.000 0.862 1310 T HN 0.323 nan 8.240 nan 0.000 0.446 1311 A N 0.756 123.568 122.820 -0.013 0.000 1.892 1311 A HA -0.174 4.145 4.320 -0.001 0.000 0.218 1311 A C 2.003 179.616 177.584 0.049 0.000 1.188 1311 A CA 1.828 53.916 52.037 0.085 0.000 0.631 1311 A CB -1.223 17.870 19.000 0.154 0.000 0.822 1311 A HN 0.530 nan 8.150 nan 0.000 0.447 1312 Y N 1.248 121.548 120.300 -0.001 0.000 2.014 1312 Y HA -0.292 4.257 4.550 -0.001 0.000 0.272 1312 Y C 3.300 179.239 175.900 0.065 0.000 1.164 1312 Y CA 2.089 60.124 58.100 -0.108 0.000 1.114 1312 Y CB -0.950 37.254 38.460 -0.426 0.000 0.961 1312 Y HN 0.488 nan 8.280 nan 0.000 0.489 1313 S N -0.659 115.168 115.700 0.212 0.000 2.383 1313 S HA -0.187 4.282 4.470 -0.001 0.000 0.227 1313 S C 1.896 176.612 174.600 0.192 0.000 1.026 1313 S CA 1.293 59.606 58.200 0.188 0.000 0.981 1313 S CB -0.417 62.859 63.200 0.126 0.000 0.818 1313 S HN 0.398 nan 8.310 nan 0.000 0.472 1314 E N 2.576 122.891 120.200 0.191 0.000 2.077 1314 E HA -0.122 4.227 4.350 -0.001 0.000 0.193 1314 E C 2.229 178.932 176.600 0.172 0.000 0.989 1314 E CA 1.571 58.095 56.400 0.207 0.000 0.800 1314 E CB -0.625 29.256 29.700 0.301 0.000 0.746 1314 E HN 0.722 nan 8.360 nan 0.000 0.452 1315 S N -0.788 115.028 115.700 0.193 0.000 2.383 1315 S HA -0.151 4.318 4.470 -0.001 0.000 0.229 1315 S C 2.128 176.834 174.600 0.176 0.000 1.030 1315 S CA 1.310 59.618 58.200 0.180 0.000 1.002 1315 S CB -0.724 62.621 63.200 0.241 0.000 0.829 1315 S HN 0.120 nan 8.310 nan 0.000 0.467 1316 V N 2.318 122.369 119.914 0.228 0.000 2.295 1316 V HA -0.175 3.945 4.120 -0.001 0.000 0.246 1316 V C 2.747 178.906 176.094 0.108 0.000 1.049 1316 V CA 2.177 64.582 62.300 0.175 0.000 1.024 1316 V CB -0.722 31.231 31.823 0.217 0.000 0.648 1316 V HN 0.522 nan 8.190 nan 0.000 0.447 1317 K N -0.227 120.237 120.400 0.106 0.000 2.057 1317 K HA -0.089 4.230 4.320 -0.001 0.000 0.206 1317 K C 2.111 178.738 176.600 0.046 0.000 1.050 1317 K CA 1.284 57.613 56.287 0.071 0.000 0.935 1317 K CB -0.317 32.226 32.500 0.072 0.000 0.715 1317 K HN 0.354 nan 8.250 nan 0.000 0.439 1318 L N 0.707 121.957 121.223 0.046 0.000 2.017 1318 L HA -0.204 4.135 4.340 -0.001 0.000 0.208 1318 L C 2.444 179.328 176.870 0.023 0.000 1.073 1318 L CA 0.641 55.493 54.840 0.019 0.000 0.745 1318 L CB -0.499 41.564 42.059 0.006 0.000 0.894 1318 L HN 0.161 nan 8.230 nan 0.000 0.432 1319 L N -0.267 120.979 121.223 0.038 0.000 2.046 1319 L HA -0.239 4.100 4.340 -0.001 0.000 0.208 1319 L C 2.577 179.460 176.870 0.022 0.000 1.077 1319 L CA 1.759 56.616 54.840 0.029 0.000 0.747 1319 L CB -0.569 41.510 42.059 0.033 0.000 0.896 1319 L HN 0.251 nan 8.230 nan 0.000 0.432 1320 Q N -0.494 119.323 119.800 0.029 0.000 2.135 1320 Q HA -0.283 4.056 4.340 -0.001 0.000 0.204 1320 Q C 2.288 178.298 176.000 0.016 0.000 0.981 1320 Q CA 1.983 57.800 55.803 0.023 0.000 0.856 1320 Q CB -0.273 28.483 28.738 0.030 0.000 0.902 1320 Q HN 0.530 nan 8.270 nan 0.000 0.425 1321 K N 0.918 121.326 120.400 0.014 0.000 2.097 1321 K HA -0.151 4.168 4.320 -0.001 0.000 0.206 1321 K C 1.933 178.536 176.600 0.005 0.000 1.049 1321 K CA 1.017 57.308 56.287 0.007 0.000 0.933 1321 K CB -0.037 32.464 32.500 0.001 0.000 0.717 1321 K HN 0.146 nan 8.250 nan 0.000 0.442 1322 I N 0.824 121.398 120.570 0.007 0.000 2.179 1322 I HA -0.298 3.871 4.170 -0.001 0.000 0.242 1322 I C 1.987 178.106 176.117 0.004 0.000 1.088 1322 I CA 0.651 61.954 61.300 0.005 0.000 1.357 1322 I CB -0.244 37.760 38.000 0.006 0.000 1.051 1322 I HN 0.155 nan 8.210 nan 0.000 0.409 1323 L N 0.546 121.772 121.223 0.005 0.000 2.013 1323 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 1323 L C 2.276 179.148 176.870 0.004 0.000 1.073 1323 L CA 1.866 56.709 54.840 0.004 0.000 0.753 1323 L CB -1.055 41.007 42.059 0.006 0.000 0.890 1323 L HN 0.318 nan 8.230 nan 0.000 0.432 1324 E N -0.851 119.352 120.200 0.005 0.000 2.489 1324 E HA -0.060 4.289 4.350 -0.001 0.000 0.193 1324 E C 0.977 177.579 176.600 0.002 0.000 1.057 1324 E CA 0.177 56.580 56.400 0.004 0.000 0.866 1324 E CB 0.207 29.910 29.700 0.006 0.000 0.916 1324 E HN 0.604 nan 8.360 nan 0.000 0.500 1325 E N 0.381 120.582 120.200 0.002 0.000 2.601 1325 E HA 0.065 4.415 4.350 -0.001 0.000 0.219 1325 E C -0.548 176.051 176.600 -0.000 0.000 0.964 1325 E CA -0.025 56.375 56.400 0.000 0.000 1.050 1325 E CB 0.813 30.513 29.700 -0.000 0.000 1.068 1325 E HN -0.039 nan 8.360 nan 0.000 0.496 1326 D N -0.176 120.224 120.400 -0.000 0.000 2.788 1326 D HA 0.136 4.775 4.640 -0.001 0.000 0.247 1326 D C -0.064 176.235 176.300 -0.001 0.000 1.236 1326 D CA -0.220 53.779 54.000 -0.001 0.000 0.898 1326 D CB 1.481 42.280 40.800 -0.002 0.000 1.401 1326 D HN -0.239 nan 8.370 nan 0.000 0.549 1327 E N 1.234 121.433 120.200 -0.001 0.000 2.481 1327 E HA 0.103 4.452 4.350 -0.001 0.000 0.195 1327 E C 0.192 176.791 176.600 -0.002 0.000 1.047 1327 E CA 0.383 56.782 56.400 -0.001 0.000 0.867 1327 E CB 0.307 30.007 29.700 -0.001 0.000 0.858 1327 E HN 0.321 nan 8.360 nan 0.000 0.513 1328 R N 0.965 121.463 120.500 -0.003 0.000 2.679 1328 R HA 0.221 4.560 4.340 -0.001 0.000 0.269 1328 R C 0.076 176.373 176.300 -0.006 0.000 1.076 1328 R CA -0.052 56.045 56.100 -0.004 0.000 1.160 1328 R CB 0.551 30.848 30.300 -0.005 0.000 1.054 1328 R HN -0.057 nan 8.270 nan 0.000 0.507 1329 K N 1.223 121.619 120.400 -0.008 0.000 2.126 1329 K HA 0.318 4.638 4.320 -0.001 0.000 0.257 1329 K C -0.079 176.510 176.600 -0.017 0.000 1.007 1329 K CA -0.257 56.024 56.287 -0.011 0.000 0.928 1329 K CB 0.697 33.191 32.500 -0.010 0.000 1.013 1329 K HN 0.353 nan 8.250 nan 0.000 0.473 1330 I N 1.658 122.212 120.570 -0.027 0.000 2.404 1330 I HA 0.256 4.425 4.170 -0.001 0.000 0.293 1330 I C 1.229 177.311 176.117 -0.058 0.000 0.992 1330 I CA -0.476 60.801 61.300 -0.038 0.000 1.149 1330 I CB 1.736 39.710 38.000 -0.042 0.000 1.315 1330 I HN 0.640 nan 8.210 nan 0.000 0.446 1331 R N 4.305 124.773 120.500 -0.054 0.000 2.123 1331 R HA 0.281 4.620 4.340 -0.001 0.000 0.209 1331 R C 0.271 176.508 176.300 -0.104 0.000 1.078 1331 R CA 0.519 56.579 56.100 -0.067 0.000 1.028 1331 R CB 0.554 30.834 30.300 -0.033 0.000 0.939 1331 R HN 0.567 nan 8.270 nan 0.000 0.463 1332 R N -0.356 120.096 120.500 -0.079 0.000 2.795 1332 R HA 0.450 4.789 4.340 -0.001 0.000 0.275 1332 R C -1.555 174.712 176.300 -0.055 0.000 0.981 1332 R CA -0.834 55.219 56.100 -0.078 0.000 0.917 1332 R CB 2.350 32.627 30.300 -0.038 0.000 1.202 1332 R HN -0.016 nan 8.270 nan 0.000 0.469 1333 I N 0.187 120.734 120.570 -0.038 0.000 2.619 1333 I HA 0.727 4.896 4.170 -0.001 0.000 0.292 1333 I C -0.861 175.281 176.117 0.042 0.000 1.100 1333 I CA -0.042 61.259 61.300 0.002 0.000 1.043 1333 I CB 2.379 40.382 38.000 0.004 0.000 1.239 1333 I HN 0.733 nan 8.210 nan 0.000 0.420 1334 G N 4.610 113.437 108.800 0.045 0.000 2.645 1334 G HA2 0.679 4.638 3.960 -0.001 0.000 0.292 1334 G HA3 0.679 4.638 3.960 -0.001 0.000 0.292 1334 G C -2.226 172.699 174.900 0.042 0.000 1.415 1334 G CA -0.547 44.589 45.100 0.059 0.000 0.785 1334 G HN 0.773 nan 8.290 nan 0.000 0.483 1335 V N -0.055 119.879 119.914 0.032 0.000 3.012 1335 V HA 0.932 5.051 4.120 -0.001 0.000 0.307 1335 V C -1.074 174.967 176.094 -0.088 0.000 1.166 1335 V CA -0.875 61.393 62.300 -0.054 0.000 0.974 1335 V CB 2.101 33.888 31.823 -0.060 0.000 1.040 1335 V HN 1.220 nan 8.190 nan 0.000 0.428 1336 R N 4.259 124.636 120.500 -0.204 0.000 2.698 1336 R HA 0.590 4.930 4.340 -0.001 0.000 0.275 1336 R C -2.392 173.708 176.300 -0.334 0.000 1.001 1336 R CA -0.475 55.542 56.100 -0.137 0.000 0.896 1336 R CB 1.994 32.284 30.300 -0.016 0.000 1.218 1336 R HN 0.501 nan 8.270 nan 0.000 0.462 1337 F N 0.940 120.982 119.950 0.154 0.000 2.492 1337 F HA 0.581 5.107 4.527 -0.001 0.000 0.327 1337 F C 0.412 176.221 175.800 0.015 0.000 1.079 1337 F CA -0.153 57.940 58.000 0.154 0.000 0.967 1337 F CB 2.381 41.511 39.000 0.216 0.000 1.169 1337 F HN 0.872 nan 8.300 nan 0.000 0.472 1338 S N -0.074 115.604 115.700 -0.037 0.000 2.790 1338 S HA 0.582 5.051 4.470 -0.001 0.000 0.292 1338 S C -1.205 173.037 174.600 -0.597 0.000 1.197 1338 S CA -1.375 56.463 58.200 -0.605 0.000 0.851 1338 S CB 1.501 64.526 63.200 -0.293 0.000 1.217 1338 S HN 0.611 nan 8.310 nan 0.000 0.526 1339 K N 0.385 120.425 120.400 -0.600 0.000 3.939 1339 K HA -0.133 4.186 4.320 -0.001 0.000 0.281 1339 K C -1.370 175.125 176.600 -0.174 0.000 0.981 1339 K CA 0.330 56.450 56.287 -0.279 0.000 0.833 1339 K CB -1.862 30.581 32.500 -0.094 0.000 1.501 1339 K HN 0.419 nan 8.250 nan 0.000 0.445 1340 F N 1.491 121.470 119.950 0.047 0.000 2.443 1340 F HA 0.282 4.808 4.527 -0.001 0.000 0.353 1340 F C 1.803 177.617 175.800 0.023 0.000 1.101 1340 F CA -1.047 56.969 58.000 0.027 0.000 1.226 1340 F CB 0.303 39.308 39.000 0.008 0.000 1.140 1340 F HN 0.076 nan 8.300 nan 0.000 0.557 1341 I N 0.000 120.700 120.570 0.217 0.000 2.984 1341 I HA 0.000 4.169 4.170 -0.001 0.000 0.288 1341 I CA 0.000 61.375 61.300 0.125 0.000 1.566 1341 I CB 0.000 38.059 38.000 0.098 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494