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 3gij_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 3.960 3.960 0.000 0.000 0.244 1001 G C 0.000 174.946 174.900 0.076 0.000 0.946 1001 G CA 0.000 45.120 45.100 0.033 0.000 0.502 1002 I N 1.808 122.444 120.570 0.109 0.000 2.498 1002 I HA 0.465 4.636 4.170 0.000 0.000 0.290 1002 I C -0.439 175.794 176.117 0.193 0.000 1.032 1002 I CA -1.262 60.156 61.300 0.197 0.000 1.073 1002 I CB 2.522 40.645 38.000 0.205 0.000 1.251 1002 I HN 0.202 nan 8.210 nan 0.000 0.426 1003 V N 6.931 126.984 119.914 0.232 0.000 2.357 1003 V HA 0.353 4.473 4.120 0.000 0.000 0.284 1003 V C -0.277 175.970 176.094 0.255 0.000 1.018 1003 V CA -0.578 61.864 62.300 0.238 0.000 0.841 1003 V CB 1.934 33.909 31.823 0.253 0.000 0.991 1003 V HN 0.485 nan 8.190 nan 0.000 0.437 1004 L N 6.460 127.818 121.223 0.225 0.000 2.264 1004 L HA 0.586 4.926 4.340 0.000 0.000 0.287 1004 L C -0.846 176.142 176.870 0.197 0.000 1.039 1004 L CA -0.342 54.603 54.840 0.176 0.000 0.829 1004 L CB 0.516 42.630 42.059 0.091 0.000 1.211 1004 L HN 0.643 nan 8.230 nan 0.000 0.427 1005 F N 6.072 126.045 119.950 0.040 0.000 2.415 1005 F HA 0.635 5.162 4.527 0.000 0.000 0.348 1005 F C -1.026 174.682 175.800 -0.153 0.000 1.119 1005 F CA -0.624 57.307 58.000 -0.115 0.000 1.069 1005 F CB 1.338 40.256 39.000 -0.138 0.000 1.124 1005 F HN 0.091 nan 8.300 nan 0.000 0.472 1006 V N 5.565 124.873 119.914 -1.011 0.000 2.384 1006 V HA 0.311 4.431 4.120 0.000 0.000 0.287 1006 V C -0.965 174.447 176.094 -1.136 0.000 1.020 1006 V CA -0.629 61.208 62.300 -0.772 0.000 0.850 1006 V CB 1.348 32.982 31.823 -0.314 0.000 0.987 1006 V HN 0.684 nan 8.190 nan 0.000 0.436 1007 D N 4.158 124.112 120.400 -0.743 0.000 2.481 1007 D HA 0.402 5.043 4.640 0.000 0.000 0.246 1007 D C -0.675 175.559 176.300 -0.110 0.000 1.109 1007 D CA -0.478 53.200 54.000 -0.537 0.000 0.845 1007 D CB 1.115 41.783 40.800 -0.219 0.000 1.160 1007 D HN 0.159 nan 8.370 nan 0.000 0.534 1008 F N 1.810 121.582 119.950 -0.297 0.000 2.538 1008 F HA 0.169 4.697 4.527 0.000 0.000 0.371 1008 F C 1.237 176.996 175.800 -0.069 0.000 1.087 1008 F CA -0.663 57.203 58.000 -0.223 0.000 1.250 1008 F CB 0.088 38.828 39.000 -0.433 0.000 1.110 1008 F HN 0.140 nan 8.300 nan 0.000 0.570 1009 D N 2.821 123.312 120.400 0.151 0.000 2.389 1009 D HA 0.028 4.668 4.640 0.000 0.000 0.247 1009 D C 0.433 176.769 176.300 0.060 0.000 1.128 1009 D CA -0.009 54.111 54.000 0.199 0.000 0.884 1009 D CB 0.182 41.122 40.800 0.234 0.000 1.194 1009 D HN 0.632 nan 8.370 nan 0.000 0.441 1010 Y N 0.205 120.664 120.300 0.264 0.000 2.922 1010 Y HA -0.363 4.188 4.550 0.000 0.000 0.220 1010 Y C 0.805 176.786 175.900 0.136 0.000 1.086 1010 Y CA -0.412 57.767 58.100 0.131 0.000 0.937 1010 Y CB -2.215 36.314 38.460 0.115 0.000 1.125 1010 Y HN 0.301 nan 8.280 nan 0.000 0.514 1011 F N 1.490 121.376 119.950 -0.107 0.000 2.027 1011 F HA -0.319 4.209 4.527 0.000 0.000 0.297 1011 F C 2.125 177.873 175.800 -0.087 0.000 1.129 1011 F CA 1.996 59.951 58.000 -0.075 0.000 1.195 1011 F CB -0.891 38.176 39.000 0.112 0.000 0.960 1011 F HN 0.345 nan 8.300 nan 0.000 0.485 1012 Y N 0.545 120.477 120.300 -0.614 0.000 2.081 1012 Y HA -0.206 4.344 4.550 0.000 0.000 0.280 1012 Y C 2.781 178.245 175.900 -0.726 0.000 1.163 1012 Y CA 1.004 58.392 58.100 -1.187 0.000 1.135 1012 Y CB -1.852 36.089 38.460 -0.865 0.000 0.970 1012 Y HN 0.194 nan 8.280 nan 0.000 0.498 1013 A N -0.295 122.460 122.820 -0.109 0.000 1.908 1013 A HA -0.284 4.036 4.320 0.000 0.000 0.218 1013 A C 2.314 179.931 177.584 0.054 0.000 1.181 1013 A CA 1.994 54.061 52.037 0.049 0.000 0.627 1013 A CB -0.897 18.240 19.000 0.229 0.000 0.818 1013 A HN 0.574 nan 8.150 nan 0.000 0.445 1014 Q N -0.428 119.284 119.800 -0.146 0.000 2.119 1014 Q HA -0.101 4.239 4.340 0.000 0.000 0.201 1014 Q C 1.986 177.880 176.000 -0.177 0.000 0.972 1014 Q CA 1.629 57.264 55.803 -0.281 0.000 0.847 1014 Q CB -0.148 28.059 28.738 -0.885 0.000 0.903 1014 Q HN 0.447 nan 8.270 nan 0.000 0.433 1015 V N 1.496 121.238 119.914 -0.286 0.000 2.343 1015 V HA -0.235 3.885 4.120 0.000 0.000 0.247 1015 V C 2.176 178.238 176.094 -0.054 0.000 1.051 1015 V CA 1.802 63.984 62.300 -0.197 0.000 1.036 1015 V CB -0.528 31.107 31.823 -0.314 0.000 0.654 1015 V HN 0.362 nan 8.190 nan 0.000 0.451 1016 E N 0.154 120.333 120.200 -0.035 0.000 2.118 1016 E HA -0.252 4.099 4.350 0.000 0.000 0.195 1016 E C 2.175 178.798 176.600 0.038 0.000 0.992 1016 E CA 1.371 57.797 56.400 0.044 0.000 0.804 1016 E CB -0.221 29.515 29.700 0.061 0.000 0.741 1016 E HN 0.707 nan 8.360 nan 0.000 0.458 1017 E N 0.198 120.422 120.200 0.039 0.000 2.106 1017 E HA -0.092 4.258 4.350 0.000 0.000 0.192 1017 E C 2.187 178.808 176.600 0.036 0.000 0.984 1017 E CA 0.696 57.131 56.400 0.058 0.000 0.806 1017 E CB 0.158 29.927 29.700 0.115 0.000 0.750 1017 E HN 0.023 nan 8.360 nan 0.000 0.458 1018 V N 1.003 120.925 119.914 0.014 0.000 2.379 1018 V HA -0.188 3.933 4.120 0.000 0.000 0.245 1018 V C 1.887 177.988 176.094 0.011 0.000 1.044 1018 V CA 1.051 63.355 62.300 0.006 0.000 1.036 1018 V CB -0.139 31.677 31.823 -0.012 0.000 0.664 1018 V HN 0.240 nan 8.190 nan 0.000 0.453 1019 L N 0.070 121.302 121.223 0.015 0.000 2.552 1019 L HA 0.173 4.513 4.340 0.000 0.000 0.227 1019 L C 0.992 177.874 176.870 0.021 0.000 1.146 1019 L CA 1.171 56.022 54.840 0.017 0.000 0.858 1019 L CB -0.973 41.100 42.059 0.023 0.000 0.969 1019 L HN 0.428 nan 8.230 nan 0.000 0.451 1020 N N -0.850 117.865 118.700 0.025 0.000 2.839 1020 N HA 0.114 4.854 4.740 0.000 0.000 0.230 1020 N C -2.303 173.224 175.510 0.029 0.000 1.388 1020 N CA -0.639 52.427 53.050 0.026 0.000 0.747 1020 N CB 1.497 40.002 38.487 0.031 0.000 1.411 1020 N HN -0.161 nan 8.380 nan 0.000 0.556 1021 P HA -0.102 nan 4.420 nan 0.000 0.228 1021 P C 1.550 178.867 177.300 0.028 0.000 1.151 1021 P CA 0.886 64.003 63.100 0.028 0.000 0.770 1021 P CB 0.228 31.941 31.700 0.022 0.000 0.786 1022 S N -0.723 114.992 115.700 0.025 0.000 2.419 1022 S HA -0.140 4.331 4.470 0.000 0.000 0.233 1022 S C 1.722 176.338 174.600 0.028 0.000 1.016 1022 S CA 0.948 59.162 58.200 0.024 0.000 0.974 1022 S CB -1.250 61.964 63.200 0.022 0.000 0.786 1022 S HN -0.039 nan 8.310 nan 0.000 0.492 1023 L N 0.889 122.132 121.223 0.032 0.000 2.456 1023 L HA 0.321 4.662 4.340 0.000 0.000 0.224 1023 L C 1.071 177.965 176.870 0.039 0.000 1.148 1023 L CA 0.960 55.821 54.840 0.035 0.000 0.825 1023 L CB -1.187 40.897 42.059 0.043 0.000 0.937 1023 L HN 0.214 nan 8.230 nan 0.000 0.450 1024 K N -0.127 120.297 120.400 0.040 0.000 2.416 1024 K HA 0.391 4.712 4.320 0.000 0.000 0.283 1024 K C 1.126 177.746 176.600 0.035 0.000 1.037 1024 K CA 0.903 57.217 56.287 0.044 0.000 0.995 1024 K CB 0.031 32.556 32.500 0.041 0.000 0.938 1024 K HN 0.238 nan 8.250 nan 0.000 0.475 1025 G N 3.187 112.007 108.800 0.033 0.000 2.238 1025 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 1025 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 1025 G C -0.397 174.519 174.900 0.028 0.000 0.996 1025 G CA 0.352 45.467 45.100 0.026 0.000 0.632 1025 G HN 0.619 nan 8.290 nan 0.000 0.503 1026 K N 0.233 120.649 120.400 0.026 0.000 2.258 1026 K HA 0.708 5.028 4.320 0.000 0.000 0.236 1026 K C -3.255 173.353 176.600 0.012 0.000 1.008 1026 K CA -2.360 53.942 56.287 0.026 0.000 0.869 1026 K CB 2.108 34.620 32.500 0.021 0.000 1.171 1026 K HN -0.016 nan 8.250 nan 0.000 0.447 1027 P HA 0.059 nan 4.420 nan 0.000 0.271 1027 P C -0.911 176.337 177.300 -0.087 0.000 1.233 1027 P CA -0.292 62.793 63.100 -0.024 0.000 0.764 1027 P CB 0.642 32.338 31.700 -0.006 0.000 0.825 1028 V N 5.485 125.347 119.914 -0.086 0.000 2.417 1028 V HA 0.332 4.452 4.120 0.000 0.000 0.291 1028 V C 0.048 176.055 176.094 -0.144 0.000 1.024 1028 V CA -0.604 61.640 62.300 -0.095 0.000 0.861 1028 V CB 2.249 34.072 31.823 -0.001 0.000 0.985 1028 V HN 0.189 nan 8.190 nan 0.000 0.436 1029 V N 5.617 125.385 119.914 -0.242 0.000 2.349 1029 V HA 0.358 4.478 4.120 0.000 0.000 0.284 1029 V C -0.143 175.908 176.094 -0.072 0.000 1.014 1029 V CA -0.648 61.518 62.300 -0.223 0.000 0.826 1029 V CB 1.785 33.312 31.823 -0.494 0.000 1.009 1029 V HN 0.596 nan 8.190 nan 0.000 0.431 1030 V N 4.274 124.186 119.914 -0.003 0.000 2.432 1030 V HA 0.273 4.394 4.120 0.000 0.000 0.271 1030 V C 0.219 176.327 176.094 0.024 0.000 1.046 1030 V CA -0.071 62.269 62.300 0.068 0.000 0.945 1030 V CB 0.970 32.870 31.823 0.128 0.000 0.992 1030 V HN 0.980 nan 8.190 nan 0.000 0.471 1031 C N 4.738 124.002 119.300 -0.060 0.000 2.493 1031 C HA 0.619 5.080 4.460 0.000 0.000 0.326 1031 C C 0.201 174.975 174.990 -0.361 0.000 1.200 1031 C CA -0.880 57.930 59.018 -0.347 0.000 1.739 1031 C CB 1.588 28.792 27.740 -0.894 0.000 2.300 1031 C HN 0.615 nan 8.230 nan 0.000 0.500 1032 V N 3.113 122.846 119.914 -0.301 0.000 2.334 1032 V HA 0.279 4.399 4.120 0.000 0.000 0.267 1032 V C -0.515 175.416 176.094 -0.272 0.000 1.040 1032 V CA -0.073 62.129 62.300 -0.165 0.000 0.866 1032 V CB -0.409 31.389 31.823 -0.042 0.000 1.019 1032 V HN 0.658 nan 8.190 nan 0.000 0.468 1033 F N 3.287 123.241 119.950 0.008 0.000 2.421 1033 F HA 0.235 4.762 4.527 0.000 0.000 0.358 1033 F C 1.778 177.549 175.800 -0.049 0.000 1.115 1033 F CA 0.001 57.976 58.000 -0.042 0.000 1.160 1033 F CB 1.487 40.465 39.000 -0.036 0.000 1.123 1033 F HN 0.605 nan 8.300 nan 0.000 0.508 1034 S N 1.866 117.596 115.700 0.049 0.000 2.387 1034 S HA 0.156 4.626 4.470 0.000 0.000 0.226 1034 S C 1.760 176.375 174.600 0.025 0.000 1.026 1034 S CA 0.781 58.987 58.200 0.011 0.000 0.972 1034 S CB -0.257 62.917 63.200 -0.043 0.000 0.814 1034 S HN 1.194 nan 8.310 nan 0.000 0.477 1035 G N 0.764 109.570 108.800 0.010 0.000 2.255 1035 G HA2 -0.166 3.795 3.960 0.000 0.000 0.196 1035 G HA3 -0.166 3.795 3.960 0.000 0.000 0.196 1035 G C 0.848 175.756 174.900 0.013 0.000 0.998 1035 G CA 0.137 45.250 45.100 0.022 0.000 0.656 1035 G HN 0.343 nan 8.290 nan 0.000 0.490 1036 R N 0.429 120.922 120.500 -0.011 0.000 1.240 1036 R HA 0.329 4.669 4.340 0.000 0.000 0.091 1036 R C 1.635 177.995 176.300 0.099 0.000 0.586 1036 R CA 0.848 56.991 56.100 0.071 0.000 1.956 1036 R CB -1.295 29.113 30.300 0.179 0.000 0.524 1036 R HN 0.577 nan 8.270 nan 0.000 0.749 1037 F N 1.248 121.213 119.950 0.025 0.000 2.403 1037 F HA 0.229 4.757 4.527 0.001 0.000 0.320 1037 F C 0.769 176.587 175.800 0.030 0.000 1.176 1037 F CA -0.990 57.022 58.000 0.020 0.000 1.206 1037 F CB -0.039 38.969 39.000 0.013 0.000 1.235 1037 F HN 0.271 nan 8.300 nan 0.000 0.565 1038 E N 1.284 121.551 120.200 0.112 0.000 2.465 1038 E HA -0.105 4.246 4.350 0.000 0.000 0.260 1038 E C -0.421 176.164 176.600 -0.025 0.000 0.980 1038 E CA 0.343 56.751 56.400 0.014 0.000 0.927 1038 E CB 0.022 29.748 29.700 0.043 0.000 0.934 1038 E HN 0.815 nan 8.360 nan 0.000 0.459 1039 D N 1.982 122.351 120.400 -0.052 0.000 3.068 1039 D HA -0.159 4.481 4.640 0.000 0.000 0.218 1039 D C -0.692 175.494 176.300 -0.190 0.000 1.145 1039 D CA 1.367 55.367 54.000 0.001 0.000 0.896 1039 D CB -1.532 39.271 40.800 0.005 0.000 1.105 1039 D HN 0.478 nan 8.370 nan 0.000 0.423 1040 S N -0.591 114.819 115.700 -0.484 0.000 2.474 1040 S HA 0.668 5.138 4.470 0.000 0.000 0.276 1040 S C 0.735 175.140 174.600 -0.324 0.000 1.227 1040 S CA 0.533 58.189 58.200 -0.906 0.000 1.050 1040 S CB 2.273 64.618 63.200 -1.425 0.000 0.939 1040 S HN 0.688 nan 8.310 nan 0.000 0.490 1041 G N 1.426 110.080 108.800 -0.243 0.000 2.351 1041 G HA2 0.568 4.529 3.960 0.000 0.000 0.279 1041 G HA3 0.568 4.529 3.960 0.000 0.000 0.279 1041 G C -1.298 173.531 174.900 -0.118 0.000 1.297 1041 G CA -0.318 44.690 45.100 -0.153 0.000 0.886 1041 G HN 1.451 nan 8.290 nan 0.000 0.493 1042 A N -1.117 121.630 122.820 -0.122 0.000 2.423 1042 A HA 0.821 5.141 4.320 0.000 0.000 0.304 1042 A C -0.258 177.262 177.584 -0.106 0.000 1.104 1042 A CA -0.450 51.539 52.037 -0.081 0.000 0.757 1042 A CB 1.763 20.738 19.000 -0.043 0.000 1.313 1042 A HN 1.680 nan 8.150 nan 0.000 0.423 1043 V N 1.904 121.784 119.914 -0.057 0.000 2.529 1043 V HA 0.281 4.401 4.120 0.000 0.000 0.292 1043 V C 1.449 177.517 176.094 -0.043 0.000 1.028 1043 V CA 0.901 63.175 62.300 -0.043 0.000 1.074 1043 V CB 0.516 32.335 31.823 -0.007 0.000 0.958 1043 V HN 1.150 nan 8.190 nan 0.000 0.481 1044 A N 4.318 127.121 122.820 -0.030 0.000 1.878 1044 A HA 0.229 4.549 4.320 0.000 0.000 0.213 1044 A C 1.119 178.653 177.584 -0.083 0.000 1.192 1044 A CA 1.370 53.400 52.037 -0.012 0.000 0.619 1044 A CB 0.210 19.280 19.000 0.117 0.000 0.837 1044 A HN 0.742 nan 8.150 nan 0.000 0.446 1045 T N -2.646 111.870 114.554 -0.064 0.000 2.830 1045 T HA 0.558 4.908 4.350 0.000 0.000 0.322 1045 T C -1.671 172.993 174.700 -0.059 0.000 1.501 1045 T CA 0.135 62.177 62.100 -0.097 0.000 1.036 1045 T CB 1.401 70.171 68.868 -0.163 0.000 1.379 1045 T HN 1.039 nan 8.240 nan 0.000 0.493 1046 A N 2.848 125.617 122.820 -0.085 0.000 2.423 1046 A HA 0.811 5.131 4.320 0.000 0.000 0.304 1046 A C 0.007 177.522 177.584 -0.115 0.000 1.104 1046 A CA -0.791 51.190 52.037 -0.093 0.000 0.757 1046 A CB 1.125 20.054 19.000 -0.119 0.000 1.313 1046 A HN 0.808 nan 8.150 nan 0.000 0.423 1047 N N -0.558 118.079 118.700 -0.105 0.000 2.174 1047 N HA -0.091 4.649 4.740 0.000 0.000 0.229 1047 N C 0.479 175.763 175.510 -0.377 0.000 1.259 1047 N CA 0.826 53.719 53.050 -0.261 0.000 0.859 1047 N CB -0.116 38.279 38.487 -0.153 0.000 1.086 1047 N HN 0.639 nan 8.380 nan 0.000 0.446 1048 Y N 0.512 120.492 120.300 -0.534 0.000 2.373 1048 Y HA -0.075 4.476 4.550 0.001 0.000 0.293 1048 Y C 1.812 177.563 175.900 -0.248 0.000 1.129 1048 Y CA 0.692 58.591 58.100 -0.335 0.000 1.226 1048 Y CB 0.123 38.381 38.460 -0.336 0.000 1.000 1048 Y HN 0.544 nan 8.280 nan 0.000 0.549 1049 E N 0.127 120.272 120.200 -0.092 0.000 2.130 1049 E HA -0.233 4.118 4.350 0.000 0.000 0.196 1049 E C 2.267 178.876 176.600 0.014 0.000 0.998 1049 E CA 1.525 57.903 56.400 -0.036 0.000 0.806 1049 E CB -0.446 29.252 29.700 -0.004 0.000 0.738 1049 E HN 0.446 nan 8.360 nan 0.000 0.459 1050 A N 0.038 122.840 122.820 -0.031 0.000 1.943 1050 A HA 0.034 4.354 4.320 0.000 0.000 0.213 1050 A C 2.036 179.610 177.584 -0.017 0.000 1.181 1050 A CA 0.724 52.781 52.037 0.033 0.000 0.653 1050 A CB -0.138 18.830 19.000 -0.053 0.000 0.833 1050 A HN 0.036 nan 8.150 nan 0.000 0.451 1051 R N 0.125 120.532 120.500 -0.155 0.000 2.091 1051 R HA -0.132 4.208 4.340 0.000 0.000 0.238 1051 R C 2.060 178.250 176.300 -0.182 0.000 1.136 1051 R CA 1.658 57.642 56.100 -0.195 0.000 0.959 1051 R CB -0.289 29.791 30.300 -0.366 0.000 0.856 1051 R HN 0.452 nan 8.270 nan 0.000 0.437 1052 K N -0.479 119.757 120.400 -0.274 0.000 2.184 1052 K HA -0.211 4.109 4.320 0.000 0.000 0.210 1052 K C 1.075 177.362 176.600 -0.522 0.000 1.048 1052 K CA 1.707 57.704 56.287 -0.483 0.000 0.931 1052 K CB -0.173 31.817 32.500 -0.850 0.000 0.718 1052 K HN 0.154 nan 8.250 nan 0.000 0.465 1053 F N -0.791 119.143 119.950 -0.028 0.000 2.639 1053 F HA 0.235 4.762 4.527 0.000 0.000 0.300 1053 F C 1.305 177.096 175.800 -0.015 0.000 1.109 1053 F CA 0.288 58.279 58.000 -0.015 0.000 1.335 1053 F CB 0.841 39.836 39.000 -0.008 0.000 1.014 1053 F HN 0.166 nan 8.300 nan 0.000 0.537 1054 G N -0.059 108.781 108.800 0.067 0.000 2.175 1054 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 1054 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 1054 G C 0.025 174.945 174.900 0.034 0.000 0.982 1054 G CA -0.002 45.121 45.100 0.039 0.000 0.641 1054 G HN 0.117 nan 8.290 nan 0.000 0.527 1055 V N 2.968 122.910 119.914 0.047 0.000 2.370 1055 V HA 0.477 4.597 4.120 0.000 0.000 0.257 1055 V C 0.725 176.797 176.094 -0.037 0.000 1.064 1055 V CA 0.848 63.164 62.300 0.027 0.000 0.975 1055 V CB 0.482 32.334 31.823 0.048 0.000 1.067 1055 V HN 0.655 nan 8.190 nan 0.000 0.485 1056 K N 3.696 124.073 120.400 -0.038 0.000 2.433 1056 K HA 0.880 5.200 4.320 0.000 0.000 0.252 1056 K C -0.319 176.246 176.600 -0.058 0.000 1.015 1056 K CA -0.951 55.291 56.287 -0.074 0.000 0.860 1056 K CB 2.081 34.537 32.500 -0.074 0.000 1.359 1056 K HN 0.430 nan 8.250 nan 0.000 0.452 1057 A N 0.314 123.088 122.820 -0.076 0.000 2.573 1057 A HA 0.360 4.680 4.320 0.000 0.000 0.250 1057 A C 1.206 178.763 177.584 -0.045 0.000 1.049 1057 A CA 1.299 53.296 52.037 -0.066 0.000 0.767 1057 A CB -1.398 17.551 19.000 -0.085 0.000 0.965 1057 A HN 1.302 nan 8.150 nan 0.000 0.514 1058 G N 1.668 110.448 108.800 -0.034 0.000 2.339 1058 G HA2 -0.201 3.759 3.960 0.000 0.000 0.209 1058 G HA3 -0.201 3.759 3.960 0.000 0.000 0.209 1058 G C 0.469 175.362 174.900 -0.013 0.000 1.015 1058 G CA 0.022 45.108 45.100 -0.023 0.000 0.635 1058 G HN 1.953 nan 8.290 nan 0.000 0.499 1059 I N 0.801 121.366 120.570 -0.007 0.000 2.754 1059 I HA 0.570 4.740 4.170 0.000 0.000 0.285 1059 I C -2.063 174.060 176.117 0.009 0.000 1.166 1059 I CA -1.862 59.443 61.300 0.007 0.000 1.417 1059 I CB 0.434 38.445 38.000 0.017 0.000 1.382 1059 I HN -0.053 nan 8.210 nan 0.000 0.588 1060 P HA 0.074 nan 4.420 nan 0.000 0.265 1060 P C 0.722 178.031 177.300 0.014 0.000 1.187 1060 P CA 0.238 63.350 63.100 0.020 0.000 0.766 1060 P CB 0.538 32.270 31.700 0.054 0.000 0.820 1061 I N 2.484 123.040 120.570 -0.023 0.000 2.264 1061 I HA -0.253 3.918 4.170 0.000 0.000 0.248 1061 I C 2.256 178.345 176.117 -0.048 0.000 1.111 1061 I CA 1.519 62.796 61.300 -0.038 0.000 1.382 1061 I CB -0.635 37.304 38.000 -0.102 0.000 1.060 1061 I HN 0.259 nan 8.210 nan 0.000 0.418 1062 V N -1.272 118.641 119.914 -0.002 0.000 2.295 1062 V HA -0.262 3.858 4.120 0.000 0.000 0.246 1062 V C 2.171 178.278 176.094 0.021 0.000 1.049 1062 V CA 1.761 64.073 62.300 0.021 0.000 1.024 1062 V CB -0.862 31.025 31.823 0.106 0.000 0.648 1062 V HN 0.414 nan 8.190 nan 0.000 0.447 1063 E N 0.903 121.127 120.200 0.039 0.000 2.038 1063 E HA -0.212 4.138 4.350 0.000 0.000 0.195 1063 E C 2.467 179.102 176.600 0.057 0.000 1.000 1063 E CA 1.630 58.056 56.400 0.043 0.000 0.803 1063 E CB -0.494 29.231 29.700 0.042 0.000 0.750 1063 E HN 0.722 nan 8.360 nan 0.000 0.448 1064 A N 1.508 124.378 122.820 0.083 0.000 1.927 1064 A HA -0.267 4.053 4.320 0.000 0.000 0.220 1064 A C 1.980 179.676 177.584 0.187 0.000 1.185 1064 A CA 1.850 53.985 52.037 0.164 0.000 0.639 1064 A CB -0.434 18.735 19.000 0.281 0.000 0.820 1064 A HN 0.098 nan 8.150 nan 0.000 0.451 1065 K N -0.639 119.796 120.400 0.058 0.000 2.288 1065 K HA -0.047 4.273 4.320 0.000 0.000 0.201 1065 K C 1.814 178.428 176.600 0.025 0.000 1.048 1065 K CA 1.129 57.408 56.287 -0.014 0.000 0.956 1065 K CB -0.055 32.320 32.500 -0.208 0.000 0.746 1065 K HN 0.463 nan 8.250 nan 0.000 0.461 1066 K N 0.231 120.648 120.400 0.029 0.000 2.296 1066 K HA 0.009 4.329 4.320 0.000 0.000 0.200 1066 K C 1.734 178.348 176.600 0.025 0.000 1.048 1066 K CA 0.790 57.090 56.287 0.022 0.000 0.966 1066 K CB 0.205 32.718 32.500 0.022 0.000 0.754 1066 K HN 0.116 nan 8.250 nan 0.000 0.466 1067 I N 0.038 120.636 120.570 0.046 0.000 2.729 1067 I HA -0.050 4.120 4.170 0.000 0.000 0.256 1067 I C 0.629 176.745 176.117 -0.001 0.000 1.115 1067 I CA 0.582 61.902 61.300 0.033 0.000 1.446 1067 I CB 0.429 38.474 38.000 0.076 0.000 1.176 1067 I HN -0.049 nan 8.210 nan 0.000 0.446 1068 L N 2.653 123.919 121.223 0.071 0.000 2.502 1068 L HA 0.279 4.620 4.340 0.000 0.000 0.247 1068 L C -1.713 175.262 176.870 0.175 0.000 1.180 1068 L CA -1.279 53.601 54.840 0.068 0.000 0.956 1068 L CB 0.835 42.939 42.059 0.075 0.000 1.282 1068 L HN -0.092 nan 8.230 nan 0.000 0.470 1069 P HA -0.150 nan 4.420 nan 0.000 0.218 1069 P C 0.505 177.895 177.300 0.149 0.000 1.146 1069 P CA 1.375 64.529 63.100 0.090 0.000 0.813 1069 P CB 0.292 32.010 31.700 0.031 0.000 0.778 1070 N N -1.041 117.730 118.700 0.119 0.000 2.203 1070 N HA 0.181 4.921 4.740 0.000 0.000 0.207 1070 N C 0.605 176.173 175.510 0.098 0.000 1.130 1070 N CA -0.120 52.991 53.050 0.101 0.000 0.861 1070 N CB 0.148 38.658 38.487 0.037 0.000 1.005 1070 N HN 0.078 nan 8.380 nan 0.000 0.507 1071 A N 0.545 123.431 122.820 0.112 0.000 2.448 1071 A HA 0.250 4.570 4.320 0.000 0.000 0.239 1071 A C 0.465 178.002 177.584 -0.079 0.000 1.080 1071 A CA -0.130 51.859 52.037 -0.080 0.000 0.779 1071 A CB 0.424 19.225 19.000 -0.330 0.000 1.026 1071 A HN 0.011 nan 8.150 nan 0.000 0.499 1072 V N 2.306 122.139 119.914 -0.136 0.000 2.427 1072 V HA 0.128 4.249 4.120 0.000 0.000 0.268 1072 V C -0.810 175.181 176.094 -0.172 0.000 1.046 1072 V CA 0.365 62.639 62.300 -0.044 0.000 0.970 1072 V CB -0.556 31.262 31.823 -0.007 0.000 1.001 1072 V HN 0.634 nan 8.190 nan 0.000 0.476 1073 Y N 5.746 126.112 120.300 0.109 0.000 2.385 1073 Y HA 0.569 5.119 4.550 0.001 0.000 0.341 1073 Y C 0.146 176.185 175.900 0.232 0.000 0.965 1073 Y CA -0.401 57.797 58.100 0.162 0.000 1.180 1073 Y CB 1.077 39.663 38.460 0.210 0.000 1.139 1073 Y HN 0.443 nan 8.280 nan 0.000 0.502 1074 L N 6.730 128.126 121.223 0.288 0.000 2.329 1074 L HA 0.537 4.877 4.340 0.000 0.000 0.279 1074 L C -2.301 174.795 176.870 0.377 0.000 1.014 1074 L CA -2.393 52.615 54.840 0.281 0.000 0.814 1074 L CB 2.033 44.196 42.059 0.173 0.000 1.257 1074 L HN 0.369 nan 8.230 nan 0.000 0.424 1075 P HA 0.007 nan 4.420 nan 0.000 0.271 1075 P C -0.619 176.828 177.300 0.245 0.000 1.216 1075 P CA -0.340 63.030 63.100 0.449 0.000 0.776 1075 P CB 0.817 32.709 31.700 0.321 0.000 0.881 1076 M N 3.999 123.720 119.600 0.202 0.000 2.364 1076 M HA 0.023 4.503 4.480 0.000 0.000 0.342 1076 M C 0.604 176.889 176.300 -0.026 0.000 1.601 1076 M CA 0.378 55.795 55.300 0.195 0.000 1.156 1076 M CB -0.124 32.600 32.600 0.206 0.000 1.912 1076 M HN 0.180 nan 8.290 nan 0.000 0.460 1077 R N 4.233 124.538 120.500 -0.325 0.000 3.570 1077 R HA 0.107 4.447 4.340 0.000 0.000 0.233 1077 R C 0.804 176.407 176.300 -1.162 0.000 1.492 1077 R CA -0.242 55.483 56.100 -0.625 0.000 1.504 1077 R CB 0.204 30.178 30.300 -0.543 0.000 1.314 1077 R HN 0.704 nan 8.270 nan 0.000 0.687 1078 K N 1.624 121.647 120.400 -0.627 0.000 2.044 1078 K HA -0.248 4.072 4.320 0.000 0.000 0.210 1078 K C 0.935 177.328 176.600 -0.345 0.000 1.049 1078 K CA 1.930 57.952 56.287 -0.441 0.000 0.927 1078 K CB 0.318 32.760 32.500 -0.098 0.000 0.713 1078 K HN 0.297 nan 8.250 nan 0.000 0.443 1079 E N -0.056 119.995 120.200 -0.249 0.000 2.097 1079 E HA -0.198 4.152 4.350 0.000 0.000 0.196 1079 E C 1.898 178.399 176.600 -0.165 0.000 1.000 1079 E CA 1.548 57.868 56.400 -0.134 0.000 0.804 1079 E CB -0.320 29.331 29.700 -0.083 0.000 0.740 1079 E HN 0.102 nan 8.360 nan 0.000 0.454 1080 V N 0.393 120.109 119.914 -0.331 0.000 2.358 1080 V HA -0.246 3.874 4.120 0.000 0.000 0.246 1080 V C 1.814 177.829 176.094 -0.132 0.000 1.047 1080 V CA 1.700 63.845 62.300 -0.257 0.000 1.035 1080 V CB -0.672 30.945 31.823 -0.342 0.000 0.658 1080 V HN 0.246 nan 8.190 nan 0.000 0.452 1081 Y N 0.196 120.396 120.300 -0.166 0.000 2.314 1081 Y HA -0.115 4.435 4.550 0.000 0.000 0.293 1081 Y C 2.564 178.572 175.900 0.180 0.000 1.129 1081 Y CA 0.939 58.924 58.100 -0.191 0.000 1.201 1081 Y CB -1.056 37.095 38.460 -0.516 0.000 0.999 1081 Y HN 0.256 nan 8.280 nan 0.000 0.541 1082 Q N 0.690 120.619 119.800 0.214 0.000 2.119 1082 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 1082 Q C 2.058 178.163 176.000 0.175 0.000 0.972 1082 Q CA 1.695 57.627 55.803 0.215 0.000 0.847 1082 Q CB -0.239 28.569 28.738 0.117 0.000 0.903 1082 Q HN 0.548 nan 8.270 nan 0.000 0.433 1083 Q N -0.998 118.867 119.800 0.108 0.000 2.030 1083 Q HA -0.146 4.194 4.340 0.000 0.000 0.204 1083 Q C 2.063 178.141 176.000 0.131 0.000 0.986 1083 Q CA 1.974 57.829 55.803 0.087 0.000 0.843 1083 Q CB -0.097 28.665 28.738 0.039 0.000 0.904 1083 Q HN 0.294 nan 8.270 nan 0.000 0.420 1084 V N 0.354 120.378 119.914 0.183 0.000 2.332 1084 V HA -0.276 3.844 4.120 0.000 0.000 0.248 1084 V C 2.362 178.621 176.094 0.276 0.000 1.055 1084 V CA 1.921 64.354 62.300 0.222 0.000 1.038 1084 V CB -0.762 31.221 31.823 0.267 0.000 0.651 1084 V HN 0.398 nan 8.190 nan 0.000 0.450 1085 S N -0.263 115.697 115.700 0.433 0.000 2.356 1085 S HA -0.211 4.259 4.470 0.000 0.000 0.223 1085 S C 2.215 176.944 174.600 0.216 0.000 1.032 1085 S CA 2.091 60.505 58.200 0.358 0.000 1.005 1085 S CB -0.360 63.065 63.200 0.376 0.000 0.867 1085 S HN 0.577 nan 8.310 nan 0.000 0.449 1086 S N 1.291 117.092 115.700 0.168 0.000 2.383 1086 S HA -0.001 4.469 4.470 0.000 0.000 0.229 1086 S C 1.988 176.639 174.600 0.085 0.000 1.030 1086 S CA 1.020 59.286 58.200 0.110 0.000 1.002 1086 S CB -0.333 62.920 63.200 0.087 0.000 0.829 1086 S HN 0.534 nan 8.310 nan 0.000 0.467 1087 R N 0.262 120.809 120.500 0.077 0.000 2.148 1087 R HA 0.115 4.456 4.340 0.000 0.000 0.223 1087 R C 1.913 178.230 176.300 0.028 0.000 1.088 1087 R CA 0.917 57.044 56.100 0.045 0.000 0.985 1087 R CB -0.296 30.026 30.300 0.035 0.000 0.880 1087 R HN 0.441 nan 8.270 nan 0.000 0.451 1088 I N -0.016 120.567 120.570 0.021 0.000 2.585 1088 I HA -0.127 4.043 4.170 0.000 0.000 0.254 1088 I C 1.774 177.938 176.117 0.078 0.000 1.129 1088 I CA 0.491 61.776 61.300 -0.024 0.000 1.455 1088 I CB -0.045 37.795 38.000 -0.267 0.000 1.111 1088 I HN 0.030 nan 8.210 nan 0.000 0.433 1089 M N 0.582 120.260 119.600 0.129 0.000 2.632 1089 M HA -0.080 4.400 4.480 0.000 0.000 0.256 1089 M C 1.312 177.661 176.300 0.082 0.000 1.080 1089 M CA 1.197 56.567 55.300 0.117 0.000 1.084 1089 M CB -1.312 31.349 32.600 0.101 0.000 1.439 1089 M HN 0.264 nan 8.290 nan 0.000 0.509 1090 N N -0.196 118.545 118.700 0.067 0.000 2.454 1090 N HA 0.162 4.903 4.740 0.000 0.000 0.177 1090 N C 1.729 177.268 175.510 0.047 0.000 1.049 1090 N CA 0.475 53.554 53.050 0.050 0.000 0.887 1090 N CB 0.201 38.709 38.487 0.035 0.000 1.095 1090 N HN 0.334 nan 8.380 nan 0.000 0.446 1091 L N 0.737 121.994 121.223 0.056 0.000 2.201 1091 L HA 0.028 4.368 4.340 0.000 0.000 0.212 1091 L C 1.887 178.867 176.870 0.183 0.000 1.105 1091 L CA 0.627 55.515 54.840 0.079 0.000 0.775 1091 L CB -0.164 41.939 42.059 0.074 0.000 0.913 1091 L HN 0.100 nan 8.230 nan 0.000 0.440 1092 L N -0.876 120.445 121.223 0.164 0.000 2.341 1092 L HA -0.060 4.281 4.340 0.000 0.000 0.214 1092 L C 2.568 179.550 176.870 0.187 0.000 1.115 1092 L CA 0.621 55.584 54.840 0.205 0.000 0.820 1092 L CB -0.321 41.809 42.059 0.118 0.000 0.944 1092 L HN 0.251 nan 8.230 nan 0.000 0.452 1093 R N -0.139 120.430 120.500 0.115 0.000 2.119 1093 R HA -0.083 4.258 4.340 0.000 0.000 0.222 1093 R C 1.960 178.287 176.300 0.046 0.000 1.088 1093 R CA 0.584 56.731 56.100 0.079 0.000 0.984 1093 R CB -0.061 30.270 30.300 0.051 0.000 0.884 1093 R HN 0.268 nan 8.270 nan 0.000 0.447 1094 E N 0.342 120.536 120.200 -0.012 0.000 2.171 1094 E HA -0.213 4.137 4.350 0.000 0.000 0.197 1094 E C 1.591 178.052 176.600 -0.232 0.000 0.997 1094 E CA 1.512 57.815 56.400 -0.163 0.000 0.810 1094 E CB -0.204 29.315 29.700 -0.301 0.000 0.738 1094 E HN 0.491 nan 8.360 nan 0.000 0.467 1095 Y N 0.157 120.466 120.300 0.014 0.000 2.230 1095 Y HA 0.105 4.655 4.550 0.000 0.000 0.294 1095 Y C 1.480 177.396 175.900 0.026 0.000 1.120 1095 Y CA 0.686 58.797 58.100 0.018 0.000 1.129 1095 Y CB 0.296 38.765 38.460 0.015 0.000 1.040 1095 Y HN -0.190 nan 8.280 nan 0.000 0.519 1096 S N -0.391 115.423 115.700 0.191 0.000 2.538 1096 S HA 0.234 4.704 4.470 0.000 0.000 0.288 1096 S C 0.364 175.018 174.600 0.090 0.000 1.108 1096 S CA -0.658 57.615 58.200 0.122 0.000 0.971 1096 S CB 1.170 64.444 63.200 0.123 0.000 1.041 1096 S HN 0.315 nan 8.310 nan 0.000 0.483 1097 E N 2.763 123.002 120.200 0.066 0.000 2.072 1097 E HA -0.026 4.325 4.350 0.000 0.000 0.190 1097 E C 0.007 176.643 176.600 0.059 0.000 0.982 1097 E CA 0.747 57.178 56.400 0.053 0.000 0.803 1097 E CB 0.017 29.741 29.700 0.039 0.000 0.755 1097 E HN 0.525 nan 8.360 nan 0.000 0.453 1098 K N 1.664 122.103 120.400 0.065 0.000 2.083 1098 K HA 0.208 4.529 4.320 0.000 0.000 0.246 1098 K C -0.310 176.343 176.600 0.089 0.000 1.160 1098 K CA 0.067 56.394 56.287 0.068 0.000 1.060 1098 K CB 0.095 32.632 32.500 0.062 0.000 1.417 1098 K HN 0.106 nan 8.250 nan 0.000 0.329 1099 I N 1.429 122.052 120.570 0.089 0.000 2.441 1099 I HA 0.132 4.302 4.170 0.000 0.000 0.295 1099 I C -0.540 175.648 176.117 0.117 0.000 0.994 1099 I CA -0.717 60.648 61.300 0.109 0.000 1.144 1099 I CB 1.534 39.591 38.000 0.095 0.000 1.314 1099 I HN 0.458 nan 8.210 nan 0.000 0.445 1100 E N 8.129 128.430 120.200 0.169 0.000 2.114 1100 E HA 0.282 4.632 4.350 0.000 0.000 0.266 1100 E C -1.156 175.560 176.600 0.194 0.000 0.896 1100 E CA -0.774 55.739 56.400 0.190 0.000 0.750 1100 E CB 0.923 30.769 29.700 0.243 0.000 1.121 1100 E HN 0.410 nan 8.360 nan 0.000 0.413 1101 I N 4.654 125.295 120.570 0.119 0.000 2.363 1101 I HA 0.095 4.265 4.170 0.000 0.000 0.292 1101 I C 1.054 177.229 176.117 0.096 0.000 1.075 1101 I CA 0.166 61.507 61.300 0.069 0.000 1.333 1101 I CB 0.122 38.150 38.000 0.047 0.000 1.415 1101 I HN 0.684 nan 8.210 nan 0.000 0.502 1102 A N 5.355 128.236 122.820 0.102 0.000 2.030 1102 A HA 0.205 4.525 4.320 0.000 0.000 0.215 1102 A C 1.054 178.676 177.584 0.064 0.000 1.164 1102 A CA 1.076 53.205 52.037 0.153 0.000 0.697 1102 A CB 0.155 19.326 19.000 0.285 0.000 0.827 1102 A HN 0.780 nan 8.150 nan 0.000 0.457 1103 S N -2.812 112.881 115.700 -0.012 0.000 2.694 1103 S HA 0.331 4.802 4.470 0.000 0.000 0.273 1103 S C 0.564 175.120 174.600 -0.074 0.000 1.180 1103 S CA 0.128 58.316 58.200 -0.020 0.000 0.864 1103 S CB -0.277 62.907 63.200 -0.027 0.000 1.198 1103 S HN 0.341 nan 8.310 nan 0.000 0.499 1104 I N 1.311 121.873 120.570 -0.012 0.000 2.454 1104 I HA -0.095 4.076 4.170 0.000 0.000 0.254 1104 I C 0.909 176.867 176.117 -0.265 0.000 1.156 1104 I CA 2.342 63.665 61.300 0.039 0.000 1.433 1104 I CB -0.119 38.067 38.000 0.309 0.000 1.082 1104 I HN 0.802 nan 8.210 nan 0.000 0.432 1105 D N -0.906 119.163 120.400 -0.552 0.000 2.582 1105 D HA 0.115 4.756 4.640 0.000 0.000 0.246 1105 D C -0.223 175.173 176.300 -1.506 0.000 1.334 1105 D CA -0.192 52.984 54.000 -1.374 0.000 0.805 1105 D CB -0.047 40.274 40.800 -0.798 0.000 1.087 1105 D HN 0.308 nan 8.370 nan 0.000 0.499 1106 E N 0.284 119.952 120.200 -0.886 0.000 2.246 1106 E HA 0.702 5.052 4.350 0.000 0.000 0.266 1106 E C -1.298 174.990 176.600 -0.519 0.000 0.880 1106 E CA -1.011 54.958 56.400 -0.718 0.000 0.762 1106 E CB 2.399 31.962 29.700 -0.228 0.000 1.180 1106 E HN 0.232 nan 8.360 nan 0.000 0.416 1107 A N 2.811 125.274 122.820 -0.596 0.000 2.386 1107 A HA 0.632 4.952 4.320 0.000 0.000 0.311 1107 A C -1.692 175.713 177.584 -0.298 0.000 1.068 1107 A CA -0.581 51.286 52.037 -0.282 0.000 0.743 1107 A CB 0.657 19.570 19.000 -0.144 0.000 1.258 1107 A HN 0.559 nan 8.150 nan 0.000 0.429 1108 Y N 1.232 121.610 120.300 0.129 0.000 2.328 1108 Y HA 0.535 5.085 4.550 0.000 0.000 0.337 1108 Y C -0.283 175.683 175.900 0.111 0.000 1.008 1108 Y CA -0.386 57.829 58.100 0.192 0.000 1.129 1108 Y CB 1.504 40.089 38.460 0.208 0.000 1.185 1108 Y HN 0.478 nan 8.280 nan 0.000 0.476 1109 L N 3.853 125.217 121.223 0.234 0.000 2.287 1109 L HA 0.279 4.620 4.340 0.000 0.000 0.287 1109 L C -0.290 176.685 176.870 0.176 0.000 1.022 1109 L CA -0.502 54.438 54.840 0.167 0.000 0.814 1109 L CB 0.975 43.101 42.059 0.111 0.000 1.217 1109 L HN 0.524 nan 8.230 nan 0.000 0.420 1110 D N 4.020 124.507 120.400 0.146 0.000 2.346 1110 D HA 0.167 4.808 4.640 0.000 0.000 0.260 1110 D C -0.269 176.096 176.300 0.109 0.000 1.252 1110 D CA 0.230 54.303 54.000 0.122 0.000 0.895 1110 D CB 0.507 41.362 40.800 0.092 0.000 1.097 1110 D HN 0.307 nan 8.370 nan 0.000 0.489 1111 I N 3.617 124.256 120.570 0.115 0.000 2.316 1111 I HA 0.041 4.211 4.170 0.000 0.000 0.286 1111 I C 1.019 177.185 176.117 0.082 0.000 1.107 1111 I CA -0.117 61.243 61.300 0.101 0.000 1.219 1111 I CB 0.534 38.603 38.000 0.115 0.000 1.455 1111 I HN 0.330 nan 8.210 nan 0.000 0.498 1112 S N 1.292 117.031 115.700 0.064 0.000 2.670 1112 S HA 0.144 4.614 4.470 0.000 0.000 0.241 1112 S C 0.807 175.429 174.600 0.037 0.000 1.077 1112 S CA -0.230 57.997 58.200 0.045 0.000 0.899 1112 S CB 0.484 63.707 63.200 0.038 0.000 0.835 1112 S HN 0.457 nan 8.310 nan 0.000 0.481 1113 D N 1.788 122.214 120.400 0.043 0.000 2.615 1113 D HA 0.226 4.866 4.640 0.000 0.000 0.236 1113 D C -0.473 175.854 176.300 0.046 0.000 1.233 1113 D CA 0.096 54.119 54.000 0.038 0.000 0.829 1113 D CB 0.445 41.266 40.800 0.035 0.000 1.024 1113 D HN 0.246 nan 8.370 nan 0.000 0.490 1114 K N 0.985 121.417 120.400 0.054 0.000 3.022 1114 K HA 0.199 4.519 4.320 0.000 0.000 0.178 1114 K C -0.144 176.490 176.600 0.058 0.000 1.089 1114 K CA -0.717 55.608 56.287 0.064 0.000 0.916 1114 K CB 1.524 34.074 32.500 0.083 0.000 1.159 1114 K HN -0.193 nan 8.250 nan 0.000 0.592 1115 V N 1.033 120.972 119.914 0.043 0.000 3.927 1115 V HA -0.320 3.800 4.120 0.000 0.000 0.495 1115 V C 0.086 176.199 176.094 0.030 0.000 0.682 1115 V CA 0.448 62.769 62.300 0.035 0.000 1.978 1115 V CB -1.266 30.581 31.823 0.039 0.000 2.375 1115 V HN 0.608 nan 8.190 nan 0.000 0.506 1116 R N 3.747 124.253 120.500 0.010 0.000 2.484 1116 R HA 0.592 4.932 4.340 0.000 0.000 0.293 1116 R C 0.056 176.343 176.300 -0.020 0.000 1.023 1116 R CA 0.268 56.359 56.100 -0.015 0.000 1.037 1116 R CB 0.218 30.498 30.300 -0.035 0.000 0.951 1116 R HN 0.802 nan 8.270 nan 0.000 0.418 1117 D N 1.321 121.701 120.400 -0.033 0.000 2.705 1117 D HA -0.108 4.532 4.640 0.000 0.000 0.211 1117 D C -0.721 175.630 176.300 0.086 0.000 0.890 1117 D CA -0.532 53.455 54.000 -0.022 0.000 0.952 1117 D CB 0.042 40.853 40.800 0.019 0.000 4.152 1117 D HN 0.640 nan 8.370 nan 0.000 0.479 1118 Y N 1.589 121.911 120.300 0.037 0.000 2.553 1118 Y HA 0.035 4.585 4.550 0.000 0.000 0.303 1118 Y C 2.299 178.236 175.900 0.060 0.000 1.194 1118 Y CA 0.325 58.456 58.100 0.051 0.000 1.305 1118 Y CB 0.561 39.040 38.460 0.031 0.000 1.045 1118 Y HN 0.197 nan 8.280 nan 0.000 0.514 1119 R N -0.444 120.172 120.500 0.193 0.000 2.369 1119 R HA 0.002 4.343 4.340 0.000 0.000 0.210 1119 R C 1.601 177.995 176.300 0.156 0.000 0.881 1119 R CA 0.146 56.325 56.100 0.132 0.000 1.031 1119 R CB 0.431 30.763 30.300 0.054 0.000 1.184 1119 R HN 0.169 nan 8.270 nan 0.000 0.581 1120 E N 0.659 120.939 120.200 0.133 0.000 2.072 1120 E HA -0.075 4.275 4.350 0.000 0.000 0.190 1120 E C 1.691 178.368 176.600 0.128 0.000 0.982 1120 E CA 1.255 57.722 56.400 0.112 0.000 0.803 1120 E CB 0.081 29.829 29.700 0.082 0.000 0.755 1120 E HN 0.362 nan 8.360 nan 0.000 0.453 1121 A N 0.404 123.320 122.820 0.159 0.000 1.968 1121 A HA -0.170 4.150 4.320 0.000 0.000 0.217 1121 A C 2.025 179.685 177.584 0.128 0.000 1.169 1121 A CA 0.956 53.078 52.037 0.142 0.000 0.638 1121 A CB -0.660 18.452 19.000 0.187 0.000 0.812 1121 A HN 0.324 nan 8.150 nan 0.000 0.446 1122 Y N 1.311 121.641 120.300 0.050 0.000 2.181 1122 Y HA -0.217 4.333 4.550 0.000 0.000 0.288 1122 Y C 2.049 177.951 175.900 0.003 0.000 1.146 1122 Y CA 2.140 60.252 58.100 0.021 0.000 1.164 1122 Y CB -0.138 38.337 38.460 0.025 0.000 0.982 1122 Y HN 0.340 nan 8.280 nan 0.000 0.515 1123 N N 0.200 119.008 118.700 0.180 0.000 2.309 1123 N HA -0.140 4.600 4.740 0.000 0.000 0.182 1123 N C 1.677 177.179 175.510 -0.014 0.000 1.018 1123 N CA 1.139 54.238 53.050 0.082 0.000 0.876 1123 N CB -0.497 38.059 38.487 0.115 0.000 0.972 1123 N HN 0.407 nan 8.380 nan 0.000 0.434 1124 L N 0.412 121.624 121.223 -0.017 0.000 2.056 1124 L HA 0.090 4.430 4.340 0.000 0.000 0.207 1124 L C 1.991 178.733 176.870 -0.214 0.000 1.078 1124 L CA 1.585 56.378 54.840 -0.078 0.000 0.749 1124 L CB -0.973 41.068 42.059 -0.031 0.000 0.901 1124 L HN 0.146 nan 8.230 nan 0.000 0.433 1125 G N -0.542 108.136 108.800 -0.202 0.000 2.402 1125 G HA2 -0.208 3.752 3.960 0.000 0.000 0.216 1125 G HA3 -0.208 3.752 3.960 0.000 0.000 0.216 1125 G C 1.617 176.350 174.900 -0.279 0.000 1.162 1125 G CA 0.913 45.858 45.100 -0.259 0.000 0.777 1125 G HN 0.385 nan 8.290 nan 0.000 0.539 1126 L N 0.161 121.205 121.223 -0.299 0.000 2.042 1126 L HA -0.106 4.234 4.340 0.000 0.000 0.210 1126 L C 2.818 179.598 176.870 -0.150 0.000 1.076 1126 L CA 1.784 56.483 54.840 -0.236 0.000 0.749 1126 L CB -0.364 41.574 42.059 -0.201 0.000 0.893 1126 L HN 0.423 nan 8.230 nan 0.000 0.432 1127 E N 0.666 120.788 120.200 -0.131 0.000 2.077 1127 E HA -0.237 4.114 4.350 0.000 0.000 0.193 1127 E C 2.294 178.815 176.600 -0.132 0.000 0.989 1127 E CA 1.226 57.579 56.400 -0.078 0.000 0.800 1127 E CB -0.016 29.672 29.700 -0.020 0.000 0.746 1127 E HN 0.445 nan 8.360 nan 0.000 0.452 1128 I N 0.744 121.125 120.570 -0.314 0.000 2.113 1128 I HA -0.302 3.868 4.170 0.000 0.000 0.238 1128 I C 2.544 178.548 176.117 -0.190 0.000 1.070 1128 I CA 1.389 62.460 61.300 -0.381 0.000 1.332 1128 I CB -0.272 37.422 38.000 -0.510 0.000 1.044 1128 I HN 0.105 nan 8.210 nan 0.000 0.402 1129 K N 0.741 121.034 120.400 -0.179 0.000 2.015 1129 K HA -0.238 4.082 4.320 0.000 0.000 0.216 1129 K C 1.867 178.409 176.600 -0.097 0.000 1.052 1129 K CA 2.126 58.332 56.287 -0.135 0.000 0.937 1129 K CB -0.368 32.052 32.500 -0.134 0.000 0.719 1129 K HN 0.275 nan 8.250 nan 0.000 0.446 1130 N N 1.005 119.657 118.700 -0.079 0.000 2.149 1130 N HA -0.191 4.550 4.740 0.000 0.000 0.188 1130 N C 1.587 177.082 175.510 -0.026 0.000 1.019 1130 N CA 1.208 54.231 53.050 -0.045 0.000 0.857 1130 N CB -0.238 38.230 38.487 -0.032 0.000 0.997 1130 N HN 0.113 nan 8.380 nan 0.000 0.426 1131 K N 1.459 121.853 120.400 -0.011 0.000 2.002 1131 K HA 0.040 4.360 4.320 0.000 0.000 0.209 1131 K C 1.868 178.464 176.600 -0.007 0.000 1.048 1131 K CA 1.073 57.379 56.287 0.030 0.000 0.930 1131 K CB -0.548 32.030 32.500 0.130 0.000 0.714 1131 K HN 0.162 nan 8.250 nan 0.000 0.438 1132 I N 0.500 121.043 120.570 -0.046 0.000 2.286 1132 I HA -0.203 3.968 4.170 0.000 0.000 0.248 1132 I C 2.124 178.188 176.117 -0.088 0.000 1.115 1132 I CA 0.594 61.838 61.300 -0.094 0.000 1.392 1132 I CB -0.273 37.621 38.000 -0.176 0.000 1.065 1132 I HN 0.163 nan 8.210 nan 0.000 0.418 1133 L N 0.833 122.012 121.223 -0.073 0.000 2.141 1133 L HA -0.163 4.177 4.340 0.000 0.000 0.209 1133 L C 2.268 179.116 176.870 -0.036 0.000 1.094 1133 L CA 1.865 56.672 54.840 -0.056 0.000 0.763 1133 L CB -0.536 41.495 42.059 -0.047 0.000 0.908 1133 L HN 0.196 nan 8.230 nan 0.000 0.437 1134 E N -1.078 119.106 120.200 -0.027 0.000 2.112 1134 E HA -0.127 4.224 4.350 0.000 0.000 0.190 1134 E C 1.873 178.464 176.600 -0.015 0.000 0.979 1134 E CA 0.716 57.107 56.400 -0.015 0.000 0.814 1134 E CB 0.081 29.777 29.700 -0.006 0.000 0.762 1134 E HN 0.307 nan 8.360 nan 0.000 0.460 1135 K N 0.439 120.827 120.400 -0.020 0.000 2.128 1135 K HA 0.039 4.360 4.320 0.000 0.000 0.202 1135 K C 1.418 178.003 176.600 -0.025 0.000 1.050 1135 K CA 0.840 57.116 56.287 -0.018 0.000 0.966 1135 K CB 0.350 32.842 32.500 -0.013 0.000 0.759 1135 K HN 0.025 nan 8.250 nan 0.000 0.454 1136 E N 0.471 120.646 120.200 -0.043 0.000 2.583 1136 E HA 0.098 4.448 4.350 0.000 0.000 0.213 1136 E C -0.188 176.386 176.600 -0.044 0.000 0.989 1136 E CA -0.164 56.209 56.400 -0.044 0.000 0.991 1136 E CB 0.803 30.460 29.700 -0.071 0.000 1.040 1136 E HN 0.080 nan 8.360 nan 0.000 0.481 1137 K N 0.604 120.980 120.400 -0.041 0.000 3.349 1137 K HA -0.169 4.151 4.320 0.000 0.000 0.310 1137 K C -0.024 176.547 176.600 -0.048 0.000 1.267 1137 K CA 0.652 56.919 56.287 -0.033 0.000 0.920 1137 K CB -0.891 31.598 32.500 -0.018 0.000 1.240 1137 K HN 0.163 nan 8.250 nan 0.000 0.453 1138 I N 2.296 122.818 120.570 -0.080 0.000 2.312 1138 I HA 0.062 4.232 4.170 0.000 0.000 0.290 1138 I C 1.222 177.266 176.117 -0.120 0.000 1.008 1138 I CA -0.198 61.036 61.300 -0.109 0.000 1.226 1138 I CB 1.075 38.981 38.000 -0.157 0.000 1.371 1138 I HN 0.049 nan 8.210 nan 0.000 0.468 1139 T N 4.824 119.327 114.554 -0.086 0.000 2.907 1139 T HA 0.603 4.953 4.350 0.000 0.000 0.298 1139 T C 0.027 174.687 174.700 -0.065 0.000 1.017 1139 T CA -0.490 61.572 62.100 -0.063 0.000 1.118 1139 T CB 1.499 70.361 68.868 -0.010 0.000 0.948 1139 T HN 0.485 nan 8.240 nan 0.000 0.531 1140 V N -0.513 119.365 119.914 -0.060 0.000 3.160 1140 V HA 0.853 4.973 4.120 0.000 0.000 0.310 1140 V C -0.389 175.683 176.094 -0.036 0.000 1.181 1140 V CA -0.921 61.366 62.300 -0.022 0.000 1.047 1140 V CB 1.813 33.622 31.823 -0.023 0.000 1.068 1140 V HN 0.986 nan 8.190 nan 0.000 0.441 1141 T N 1.549 116.086 114.554 -0.029 0.000 2.807 1141 T HA 0.663 5.013 4.350 0.000 0.000 0.279 1141 T C -0.735 173.920 174.700 -0.075 0.000 0.993 1141 T CA -0.257 61.820 62.100 -0.037 0.000 0.970 1141 T CB 1.422 70.297 68.868 0.013 0.000 0.950 1141 T HN 0.755 nan 8.240 nan 0.000 0.441 1142 V N 3.384 123.254 119.914 -0.074 0.000 2.370 1142 V HA 0.665 4.785 4.120 0.000 0.000 0.283 1142 V C 0.736 176.839 176.094 0.016 0.000 1.023 1142 V CA -0.695 61.560 62.300 -0.075 0.000 0.857 1142 V CB 1.478 33.224 31.823 -0.128 0.000 0.985 1142 V HN 0.988 nan 8.190 nan 0.000 0.443 1143 G N 5.583 114.456 108.800 0.121 0.000 2.368 1143 G HA2 0.739 4.699 3.960 0.000 0.000 0.320 1143 G HA3 0.739 4.699 3.960 0.000 0.000 0.320 1143 G C -0.844 174.161 174.900 0.175 0.000 1.158 1143 G CA -0.411 44.801 45.100 0.187 0.000 0.912 1143 G HN 0.638 nan 8.290 nan 0.000 0.456 1144 I N 1.550 122.180 120.570 0.100 0.000 2.447 1144 I HA 0.614 4.784 4.170 0.000 0.000 0.287 1144 I C -0.014 176.087 176.117 -0.027 0.000 1.023 1144 I CA -0.489 60.859 61.300 0.081 0.000 1.083 1144 I CB 2.114 40.154 38.000 0.067 0.000 1.245 1144 I HN 0.506 nan 8.210 nan 0.000 0.434 1145 S N 2.876 118.618 115.700 0.070 0.000 2.755 1145 S HA 0.263 4.733 4.470 0.000 0.000 0.286 1145 S C 0.428 175.190 174.600 0.271 0.000 1.207 1145 S CA -0.646 57.572 58.200 0.030 0.000 0.892 1145 S CB 1.366 64.603 63.200 0.062 0.000 1.240 1145 S HN 0.790 nan 8.310 nan 0.000 0.525 1146 K N 0.391 120.973 120.400 0.304 0.000 2.288 1146 K HA 0.018 4.338 4.320 0.000 0.000 0.201 1146 K C 0.298 177.046 176.600 0.246 0.000 1.048 1146 K CA 1.344 57.803 56.287 0.286 0.000 0.956 1146 K CB -0.478 32.152 32.500 0.217 0.000 0.746 1146 K HN 0.447 nan 8.250 nan 0.000 0.461 1147 N N -0.517 118.361 118.700 0.296 0.000 2.697 1147 N HA 0.175 4.916 4.740 0.000 0.000 0.272 1147 N C -0.402 175.255 175.510 0.244 0.000 1.381 1147 N CA -1.128 52.099 53.050 0.296 0.000 0.797 1147 N CB 1.172 39.935 38.487 0.460 0.000 1.523 1147 N HN -0.218 nan 8.380 nan 0.000 0.518 1148 K N -0.465 120.034 120.400 0.166 0.000 2.103 1148 K HA -0.069 4.251 4.320 0.000 0.000 0.207 1148 K C 1.344 177.934 176.600 -0.017 0.000 1.048 1148 K CA 1.378 57.650 56.287 -0.026 0.000 0.930 1148 K CB -0.370 31.837 32.500 -0.487 0.000 0.716 1148 K HN 0.307 nan 8.250 nan 0.000 0.444 1149 V N 0.659 120.510 119.914 -0.106 0.000 2.307 1149 V HA -0.213 3.907 4.120 0.000 0.000 0.245 1149 V C 1.896 177.768 176.094 -0.370 0.000 1.045 1149 V CA 1.746 63.828 62.300 -0.363 0.000 1.024 1149 V CB -0.455 30.909 31.823 -0.765 0.000 0.651 1149 V HN 0.162 nan 8.190 nan 0.000 0.449 1150 F N 0.370 120.281 119.950 -0.065 0.000 2.456 1150 F HA 0.136 4.664 4.527 0.001 0.000 0.298 1150 F C 2.295 178.093 175.800 -0.005 0.000 1.104 1150 F CA 0.746 58.721 58.000 -0.042 0.000 1.435 1150 F CB -0.860 38.123 39.000 -0.030 0.000 1.078 1150 F HN 0.062 nan 8.300 nan 0.000 0.546 1151 A N 0.286 123.221 122.820 0.191 0.000 1.902 1151 A HA -0.248 4.072 4.320 0.000 0.000 0.217 1151 A C 2.289 179.931 177.584 0.098 0.000 1.181 1151 A CA 1.956 54.119 52.037 0.210 0.000 0.623 1151 A CB -0.672 18.535 19.000 0.345 0.000 0.818 1151 A HN 0.348 nan 8.150 nan 0.000 0.443 1152 K N -0.288 119.996 120.400 -0.194 0.000 2.057 1152 K HA -0.033 4.287 4.320 0.000 0.000 0.206 1152 K C 1.768 178.275 176.600 -0.155 0.000 1.050 1152 K CA 1.442 57.399 56.287 -0.550 0.000 0.935 1152 K CB -0.292 31.810 32.500 -0.663 0.000 0.715 1152 K HN 0.517 nan 8.250 nan 0.000 0.439 1153 I N 1.000 121.517 120.570 -0.088 0.000 2.315 1153 I HA -0.196 3.974 4.170 0.000 0.000 0.248 1153 I C 2.499 178.649 176.117 0.055 0.000 1.117 1153 I CA 0.905 62.194 61.300 -0.018 0.000 1.404 1153 I CB -0.444 37.549 38.000 -0.012 0.000 1.071 1153 I HN 0.220 nan 8.210 nan 0.000 0.419 1154 A N 1.210 124.084 122.820 0.090 0.000 1.892 1154 A HA -0.238 4.082 4.320 0.000 0.000 0.218 1154 A C 2.579 180.223 177.584 0.100 0.000 1.188 1154 A CA 2.224 54.316 52.037 0.090 0.000 0.631 1154 A CB -0.878 18.175 19.000 0.089 0.000 0.822 1154 A HN 0.441 nan 8.150 nan 0.000 0.447 1155 A N -0.148 122.764 122.820 0.153 0.000 1.877 1155 A HA -0.172 4.148 4.320 0.000 0.000 0.216 1155 A C 1.752 179.415 177.584 0.132 0.000 1.186 1155 A CA 1.849 53.995 52.037 0.181 0.000 0.620 1155 A CB -0.675 18.559 19.000 0.391 0.000 0.822 1155 A HN 0.458 nan 8.150 nan 0.000 0.443 1156 D N -0.243 120.219 120.400 0.105 0.000 2.158 1156 D HA -0.181 4.460 4.640 0.000 0.000 0.197 1156 D C 1.908 178.247 176.300 0.065 0.000 0.995 1156 D CA 1.654 55.698 54.000 0.073 0.000 0.846 1156 D CB -0.311 40.507 40.800 0.029 0.000 0.941 1156 D HN 0.560 nan 8.370 nan 0.000 0.456 1157 M N -0.466 119.169 119.600 0.058 0.000 2.394 1157 M HA 0.108 4.588 4.480 0.000 0.000 0.266 1157 M C 1.663 177.987 176.300 0.041 0.000 1.098 1157 M CA 0.647 55.975 55.300 0.046 0.000 1.149 1157 M CB 0.388 33.013 32.600 0.041 0.000 1.369 1157 M HN -0.101 nan 8.290 nan 0.000 0.450 1158 A N -0.113 122.734 122.820 0.045 0.000 2.415 1158 A HA 0.144 4.464 4.320 0.000 0.000 0.248 1158 A C 1.641 179.234 177.584 0.014 0.000 1.299 1158 A CA -0.124 51.930 52.037 0.028 0.000 0.899 1158 A CB -0.320 18.700 19.000 0.033 0.000 0.997 1158 A HN 0.245 nan 8.150 nan 0.000 0.506 1159 K N 0.749 121.171 120.400 0.037 0.000 1.990 1159 K HA -0.148 4.172 4.320 0.000 0.000 0.225 1159 K C -1.601 174.975 176.600 -0.040 0.000 1.053 1159 K CA 1.330 57.650 56.287 0.055 0.000 0.982 1159 K CB -1.515 31.076 32.500 0.152 0.000 0.734 1159 K HN 0.280 nan 8.250 nan 0.000 0.448 1160 P HA 0.016 nan 4.420 nan 0.000 0.263 1160 P C -0.764 176.410 177.300 -0.211 0.000 1.247 1160 P CA 0.228 63.042 63.100 -0.477 0.000 0.876 1160 P CB -0.116 31.097 31.700 -0.813 0.000 0.928 1161 N N 2.499 121.138 118.700 -0.102 0.000 2.642 1161 N HA -0.168 4.572 4.740 0.000 0.000 0.269 1161 N C -0.379 175.095 175.510 -0.058 0.000 1.073 1161 N CA 1.380 54.396 53.050 -0.057 0.000 0.748 1161 N CB -1.072 37.387 38.487 -0.047 0.000 0.894 1161 N HN 0.567 nan 8.380 nan 0.000 0.548 1162 G N 0.491 109.262 108.800 -0.047 0.000 2.680 1162 G HA2 0.758 4.718 3.960 0.000 0.000 0.290 1162 G HA3 0.758 4.718 3.960 0.000 0.000 0.290 1162 G C -1.063 173.809 174.900 -0.046 0.000 1.355 1162 G CA -0.695 44.383 45.100 -0.036 0.000 0.903 1162 G HN 0.485 nan 8.290 nan 0.000 0.474 1163 I N 0.211 120.761 120.570 -0.034 0.000 2.534 1163 I HA 0.641 4.811 4.170 0.000 0.000 0.286 1163 I C -1.345 174.816 176.117 0.073 0.000 1.094 1163 I CA -0.902 60.354 61.300 -0.073 0.000 1.055 1163 I CB 1.836 39.647 38.000 -0.314 0.000 1.225 1163 I HN 0.378 nan 8.210 nan 0.000 0.435 1164 K N 6.510 126.956 120.400 0.077 0.000 2.463 1164 K HA 0.598 4.918 4.320 0.000 0.000 0.255 1164 K C -1.844 174.812 176.600 0.093 0.000 0.942 1164 K CA -0.500 55.854 56.287 0.111 0.000 0.814 1164 K CB 1.857 34.398 32.500 0.067 0.000 1.122 1164 K HN 0.357 nan 8.250 nan 0.000 0.425 1165 V N 6.270 126.242 119.914 0.096 0.000 2.383 1165 V HA 0.388 4.509 4.120 0.000 0.000 0.275 1165 V C 0.179 176.188 176.094 -0.141 0.000 1.036 1165 V CA -0.636 61.628 62.300 -0.059 0.000 0.889 1165 V CB 1.039 32.824 31.823 -0.064 0.000 0.985 1165 V HN 0.731 nan 8.190 nan 0.000 0.459 1166 I N 5.586 126.034 120.570 -0.203 0.000 2.256 1166 I HA 0.183 4.354 4.170 0.000 0.000 0.294 1166 I C 0.462 176.386 176.117 -0.323 0.000 1.127 1166 I CA -0.561 60.631 61.300 -0.180 0.000 1.247 1166 I CB 0.547 38.498 38.000 -0.081 0.000 1.460 1166 I HN 0.768 nan 8.210 nan 0.000 0.511 1167 D N 3.955 124.210 120.400 -0.242 0.000 2.354 1167 D HA -0.069 4.571 4.640 0.000 0.000 0.238 1167 D C 0.721 177.030 176.300 0.016 0.000 1.250 1167 D CA -0.201 53.737 54.000 -0.102 0.000 0.911 1167 D CB 0.836 41.672 40.800 0.061 0.000 1.163 1167 D HN 0.290 nan 8.370 nan 0.000 0.456 1168 D N -0.367 120.151 120.400 0.195 0.000 2.178 1168 D HA -0.146 4.494 4.640 0.000 0.000 0.201 1168 D C 1.546 177.838 176.300 -0.013 0.000 0.980 1168 D CA 0.850 54.898 54.000 0.081 0.000 0.842 1168 D CB 0.003 40.858 40.800 0.093 0.000 0.948 1168 D HN 0.510 nan 8.370 nan 0.000 0.472 1169 E N 0.686 120.887 120.200 0.000 0.000 2.150 1169 E HA -0.131 4.219 4.350 0.000 0.000 0.193 1169 E C 1.650 178.222 176.600 -0.048 0.000 0.985 1169 E CA 0.647 57.034 56.400 -0.022 0.000 0.814 1169 E CB 0.072 29.767 29.700 -0.009 0.000 0.752 1169 E HN 0.504 nan 8.360 nan 0.000 0.466 1170 E N -0.061 120.102 120.200 -0.062 0.000 2.385 1170 E HA -0.030 4.320 4.350 0.000 0.000 0.194 1170 E C 2.053 178.569 176.600 -0.140 0.000 1.013 1170 E CA 0.054 56.407 56.400 -0.079 0.000 0.866 1170 E CB 0.430 30.089 29.700 -0.068 0.000 0.832 1170 E HN 0.005 nan 8.360 nan 0.000 0.500 1171 V N 1.987 121.771 119.914 -0.218 0.000 2.427 1171 V HA -0.237 3.884 4.120 0.000 0.000 0.248 1171 V C 2.120 178.011 176.094 -0.339 0.000 1.051 1171 V CA 1.509 63.536 62.300 -0.453 0.000 1.048 1171 V CB -0.327 31.182 31.823 -0.522 0.000 0.666 1171 V HN 0.187 nan 8.190 nan 0.000 0.456 1172 K N 0.391 120.683 120.400 -0.181 0.000 2.007 1172 K HA -0.117 4.203 4.320 0.000 0.000 0.206 1172 K C 2.223 178.783 176.600 -0.067 0.000 1.047 1172 K CA 1.225 57.449 56.287 -0.105 0.000 0.937 1172 K CB -0.529 31.930 32.500 -0.068 0.000 0.718 1172 K HN 0.384 nan 8.250 nan 0.000 0.438 1173 R N 1.590 122.055 120.500 -0.059 0.000 2.119 1173 R HA -0.133 4.207 4.340 0.000 0.000 0.246 1173 R C 2.273 178.563 176.300 -0.017 0.000 1.146 1173 R CA 1.269 57.350 56.100 -0.033 0.000 0.962 1173 R CB -0.343 29.939 30.300 -0.030 0.000 0.863 1173 R HN 0.129 nan 8.270 nan 0.000 0.442 1174 L N 0.534 121.745 121.223 -0.021 0.000 2.005 1174 L HA -0.148 4.192 4.340 0.000 0.000 0.207 1174 L C 2.601 179.509 176.870 0.064 0.000 1.072 1174 L CA 1.328 56.191 54.840 0.037 0.000 0.744 1174 L CB -0.440 41.675 42.059 0.093 0.000 0.895 1174 L HN 0.266 nan 8.230 nan 0.000 0.433 1175 I N -0.465 120.140 120.570 0.057 0.000 2.367 1175 I HA -0.371 3.799 4.170 0.000 0.000 0.256 1175 I C 2.679 178.816 176.117 0.033 0.000 1.132 1175 I CA 1.402 62.742 61.300 0.067 0.000 1.397 1175 I CB -0.296 37.727 38.000 0.038 0.000 1.074 1175 I HN 0.273 nan 8.210 nan 0.000 0.435 1176 R N -0.057 120.453 120.500 0.017 0.000 2.103 1176 R HA 0.015 4.355 4.340 0.000 0.000 0.212 1176 R C 2.190 178.497 176.300 0.012 0.000 1.107 1176 R CA 0.598 56.704 56.100 0.010 0.000 1.025 1176 R CB 0.055 30.356 30.300 0.002 0.000 0.929 1176 R HN 0.311 nan 8.270 nan 0.000 0.456 1177 E N 0.515 120.723 120.200 0.013 0.000 2.076 1177 E HA -0.095 4.255 4.350 0.000 0.000 0.190 1177 E C 0.058 176.670 176.600 0.019 0.000 0.979 1177 E CA 0.197 56.605 56.400 0.013 0.000 0.807 1177 E CB 0.075 29.782 29.700 0.010 0.000 0.761 1177 E HN -0.024 nan 8.360 nan 0.000 0.454 1178 L N 2.685 123.928 121.223 0.033 0.000 2.513 1178 L HA -0.025 4.315 4.340 0.000 0.000 0.272 1178 L C 0.094 176.975 176.870 0.019 0.000 1.187 1178 L CA 0.365 55.226 54.840 0.035 0.000 0.895 1178 L CB 0.408 42.507 42.059 0.066 0.000 1.147 1178 L HN -0.093 nan 8.230 nan 0.000 0.483 1179 D N 3.491 123.897 120.400 0.009 0.000 2.443 1179 D HA -0.106 4.534 4.640 0.000 0.000 0.239 1179 D C 1.200 177.497 176.300 -0.006 0.000 1.136 1179 D CA 0.125 54.125 54.000 0.001 0.000 0.879 1179 D CB 0.986 41.785 40.800 -0.001 0.000 1.195 1179 D HN 0.665 nan 8.370 nan 0.000 0.443 1180 I N 4.012 124.577 120.570 -0.007 0.000 2.286 1180 I HA -0.230 3.940 4.170 0.000 0.000 0.248 1180 I C 2.164 178.272 176.117 -0.016 0.000 1.115 1180 I CA 1.534 62.826 61.300 -0.012 0.000 1.392 1180 I CB -0.008 37.987 38.000 -0.009 0.000 1.065 1180 I HN 0.543 nan 8.210 nan 0.000 0.418 1181 A N -0.556 122.255 122.820 -0.015 0.000 2.070 1181 A HA -0.187 4.133 4.320 0.000 0.000 0.220 1181 A C 1.821 179.391 177.584 -0.023 0.000 1.159 1181 A CA 1.813 53.840 52.037 -0.018 0.000 0.656 1181 A CB -0.622 18.369 19.000 -0.016 0.000 0.800 1181 A HN 0.446 nan 8.150 nan 0.000 0.453 1182 D N -0.593 119.793 120.400 -0.024 0.000 2.355 1182 D HA 0.090 4.730 4.640 0.000 0.000 0.218 1182 D C 0.226 176.493 176.300 -0.055 0.000 1.004 1182 D CA 0.211 54.193 54.000 -0.031 0.000 0.880 1182 D CB 0.009 40.798 40.800 -0.018 0.000 0.911 1182 D HN 0.147 nan 8.370 nan 0.000 0.528 1183 V N 2.941 122.819 119.914 -0.059 0.000 2.521 1183 V HA 0.075 4.196 4.120 0.000 0.000 0.286 1183 V C -2.021 174.044 176.094 -0.049 0.000 1.034 1183 V CA -1.314 60.933 62.300 -0.088 0.000 1.045 1183 V CB 0.999 32.778 31.823 -0.073 0.000 0.974 1183 V HN -0.061 nan 8.190 nan 0.000 0.480 1184 P HA 0.186 nan 4.420 nan 0.000 0.261 1184 P C 0.906 178.161 177.300 -0.076 0.000 1.183 1184 P CA 1.360 64.415 63.100 -0.074 0.000 0.761 1184 P CB 0.452 32.088 31.700 -0.107 0.000 0.785 1185 G N 3.007 111.730 108.800 -0.128 0.000 2.213 1185 G HA2 -0.181 3.780 3.960 0.000 0.000 0.226 1185 G HA3 -0.181 3.780 3.960 0.000 0.000 0.226 1185 G C -0.037 174.784 174.900 -0.131 0.000 0.992 1185 G CA -0.528 44.443 45.100 -0.215 0.000 0.632 1185 G HN 0.460 nan 8.290 nan 0.000 0.511 1186 I N 2.715 123.249 120.570 -0.059 0.000 2.291 1186 I HA 0.585 4.755 4.170 0.000 0.000 0.290 1186 I C 1.160 177.253 176.117 -0.040 0.000 1.050 1186 I CA -0.467 60.813 61.300 -0.035 0.000 1.245 1186 I CB 0.197 38.194 38.000 -0.005 0.000 1.405 1186 I HN 0.189 nan 8.210 nan 0.000 0.478 1187 G N 4.631 113.405 108.800 -0.043 0.000 2.642 1187 G HA2 0.279 4.239 3.960 0.000 0.000 0.291 1187 G HA3 0.279 4.239 3.960 0.000 0.000 0.291 1187 G C 0.588 175.470 174.900 -0.030 0.000 1.345 1187 G CA -0.484 44.594 45.100 -0.037 0.000 1.043 1187 G HN 0.541 nan 8.290 nan 0.000 0.528 1188 N N -0.501 118.183 118.700 -0.027 0.000 2.289 1188 N HA -0.097 4.643 4.740 0.000 0.000 0.184 1188 N C 1.928 177.425 175.510 -0.022 0.000 1.016 1188 N CA 0.664 53.700 53.050 -0.022 0.000 0.872 1188 N CB 0.066 38.541 38.487 -0.020 0.000 0.973 1188 N HN 0.282 nan 8.380 nan 0.000 0.433 1189 I N 0.381 120.936 120.570 -0.025 0.000 2.277 1189 I HA -0.091 4.080 4.170 0.000 0.000 0.243 1189 I C 1.843 177.944 176.117 -0.027 0.000 1.094 1189 I CA 1.249 62.534 61.300 -0.025 0.000 1.393 1189 I CB -1.466 36.517 38.000 -0.028 0.000 1.078 1189 I HN 0.121 nan 8.210 nan 0.000 0.417 1190 T N 1.591 116.127 114.554 -0.030 0.000 2.777 1190 T HA -0.053 4.297 4.350 0.000 0.000 0.266 1190 T C 2.096 176.782 174.700 -0.023 0.000 1.040 1190 T CA 1.468 63.550 62.100 -0.029 0.000 1.141 1190 T CB -0.306 68.543 68.868 -0.032 0.000 0.868 1190 T HN 0.402 nan 8.240 nan 0.000 0.444 1191 A N 1.689 124.497 122.820 -0.021 0.000 1.908 1191 A HA -0.153 4.167 4.320 0.000 0.000 0.218 1191 A C 2.318 179.891 177.584 -0.017 0.000 1.181 1191 A CA 1.365 53.392 52.037 -0.017 0.000 0.627 1191 A CB -0.441 18.549 19.000 -0.017 0.000 0.818 1191 A HN 0.309 nan 8.150 nan 0.000 0.445 1192 E N -0.058 120.132 120.200 -0.018 0.000 2.150 1192 E HA -0.130 4.220 4.350 0.000 0.000 0.193 1192 E C 1.918 178.507 176.600 -0.018 0.000 0.985 1192 E CA 1.044 57.434 56.400 -0.017 0.000 0.814 1192 E CB -0.168 29.523 29.700 -0.016 0.000 0.752 1192 E HN 0.664 nan 8.360 nan 0.000 0.466 1193 K N 0.122 120.509 120.400 -0.021 0.000 2.148 1193 K HA -0.016 4.305 4.320 0.000 0.000 0.204 1193 K C 2.208 178.793 176.600 -0.024 0.000 1.050 1193 K CA 0.560 56.832 56.287 -0.024 0.000 0.942 1193 K CB 0.046 32.528 32.500 -0.030 0.000 0.724 1193 K HN 0.082 nan 8.250 nan 0.000 0.446 1194 L N 0.602 121.812 121.223 -0.021 0.000 2.179 1194 L HA -0.090 4.250 4.340 0.000 0.000 0.208 1194 L C 1.984 178.845 176.870 -0.015 0.000 1.096 1194 L CA 1.033 55.862 54.840 -0.018 0.000 0.779 1194 L CB -0.156 41.894 42.059 -0.015 0.000 0.922 1194 L HN 0.037 nan 8.230 nan 0.000 0.443 1195 K N 0.094 120.486 120.400 -0.013 0.000 2.155 1195 K HA -0.087 4.234 4.320 0.000 0.000 0.203 1195 K C 2.002 178.596 176.600 -0.011 0.000 1.052 1195 K CA 0.741 57.021 56.287 -0.011 0.000 0.948 1195 K CB 0.066 32.560 32.500 -0.010 0.000 0.728 1195 K HN 0.194 nan 8.250 nan 0.000 0.448 1196 K N 0.839 121.231 120.400 -0.013 0.000 2.148 1196 K HA -0.081 4.239 4.320 0.000 0.000 0.204 1196 K C 1.929 178.521 176.600 -0.013 0.000 1.050 1196 K CA 0.970 57.249 56.287 -0.013 0.000 0.942 1196 K CB -0.108 32.383 32.500 -0.015 0.000 0.724 1196 K HN 0.213 nan 8.250 nan 0.000 0.446 1197 L N -0.210 121.003 121.223 -0.015 0.000 2.418 1197 L HA 0.009 4.349 4.340 0.000 0.000 0.218 1197 L C 1.457 178.321 176.870 -0.011 0.000 1.125 1197 L CA 0.754 55.585 54.840 -0.015 0.000 0.835 1197 L CB -0.224 41.823 42.059 -0.020 0.000 0.953 1197 L HN 0.487 nan 8.230 nan 0.000 0.454 1198 G N 0.282 109.076 108.800 -0.009 0.000 2.232 1198 G HA2 -0.260 3.700 3.960 0.000 0.000 0.226 1198 G HA3 -0.260 3.700 3.960 0.000 0.000 0.226 1198 G C 0.367 175.263 174.900 -0.006 0.000 0.996 1198 G CA -0.306 44.790 45.100 -0.006 0.000 0.626 1198 G HN 0.211 nan 8.290 nan 0.000 0.509 1199 I N 1.986 122.551 120.570 -0.007 0.000 2.581 1199 I HA 0.122 4.292 4.170 0.000 0.000 0.285 1199 I C 0.991 177.105 176.117 -0.005 0.000 1.129 1199 I CA 0.189 61.486 61.300 -0.006 0.000 1.397 1199 I CB 0.458 38.454 38.000 -0.007 0.000 1.399 1199 I HN 0.112 nan 8.210 nan 0.000 0.537 1200 N N 4.736 123.434 118.700 -0.003 0.000 2.239 1200 N HA 0.136 4.877 4.740 0.000 0.000 0.208 1200 N C 0.026 175.535 175.510 -0.001 0.000 1.200 1200 N CA 0.237 53.285 53.050 -0.003 0.000 0.895 1200 N CB 0.883 39.368 38.487 -0.002 0.000 1.085 1200 N HN 0.448 nan 8.380 nan 0.000 0.500 1201 K N 0.569 120.969 120.400 0.001 0.000 2.400 1201 K HA 0.334 4.654 4.320 0.000 0.000 0.246 1201 K C 1.136 177.738 176.600 0.004 0.000 0.995 1201 K CA -0.679 55.610 56.287 0.004 0.000 0.840 1201 K CB 1.722 34.227 32.500 0.007 0.000 1.293 1201 K HN -0.178 nan 8.250 nan 0.000 0.445 1202 L N 0.975 122.203 121.223 0.008 0.000 2.012 1202 L HA -0.206 4.134 4.340 0.000 0.000 0.210 1202 L C 2.207 179.083 176.870 0.010 0.000 1.073 1202 L CA 1.460 56.303 54.840 0.005 0.000 0.748 1202 L CB -0.162 41.911 42.059 0.023 0.000 0.891 1202 L HN 0.415 nan 8.230 nan 0.000 0.431 1203 V N 0.146 120.069 119.914 0.016 0.000 2.469 1203 V HA -0.306 3.814 4.120 0.000 0.000 0.251 1203 V C 1.733 177.834 176.094 0.011 0.000 1.064 1203 V CA 2.219 64.527 62.300 0.014 0.000 1.066 1203 V CB -0.465 31.365 31.823 0.011 0.000 0.667 1203 V HN 0.510 nan 8.190 nan 0.000 0.461 1204 D N 0.085 120.489 120.400 0.008 0.000 2.354 1204 D HA -0.124 4.516 4.640 0.000 0.000 0.216 1204 D C 2.198 178.503 176.300 0.008 0.000 0.970 1204 D CA 1.597 55.602 54.000 0.007 0.000 0.905 1204 D CB -0.303 40.499 40.800 0.003 0.000 0.903 1204 D HN 0.754 nan 8.370 nan 0.000 0.508 1205 T N -1.799 112.761 114.554 0.011 0.000 2.985 1205 T HA -0.014 4.336 4.350 0.000 0.000 0.266 1205 T C 2.181 176.897 174.700 0.027 0.000 1.076 1205 T CA 0.266 62.375 62.100 0.016 0.000 1.135 1205 T CB -0.396 68.482 68.868 0.016 0.000 0.890 1205 T HN 0.158 nan 8.240 nan 0.000 0.480 1206 L N 1.326 122.564 121.223 0.025 0.000 2.201 1206 L HA 0.051 4.392 4.340 0.000 0.000 0.212 1206 L C 2.165 179.051 176.870 0.026 0.000 1.105 1206 L CA 0.853 55.710 54.840 0.029 0.000 0.775 1206 L CB -0.590 41.483 42.059 0.022 0.000 0.913 1206 L HN 0.250 nan 8.230 nan 0.000 0.440 1207 S N -0.024 115.687 115.700 0.019 0.000 2.743 1207 S HA 0.358 4.828 4.470 0.000 0.000 0.230 1207 S C 0.372 174.983 174.600 0.017 0.000 0.950 1207 S CA 0.183 58.393 58.200 0.016 0.000 0.976 1207 S CB -0.242 62.964 63.200 0.011 0.000 0.779 1207 S HN 0.169 nan 8.310 nan 0.000 0.487 1208 I N 1.272 121.857 120.570 0.024 0.000 2.607 1208 I HA 0.212 4.382 4.170 0.000 0.000 0.290 1208 I C -0.573 175.569 176.117 0.042 0.000 1.129 1208 I CA -0.621 60.693 61.300 0.023 0.000 1.042 1208 I CB 2.658 40.663 38.000 0.009 0.000 1.242 1208 I HN 0.043 nan 8.210 nan 0.000 0.421 1209 E N 4.031 124.257 120.200 0.044 0.000 2.398 1209 E HA -0.024 4.327 4.350 0.000 0.000 0.263 1209 E C 0.380 177.040 176.600 0.100 0.000 1.046 1209 E CA 0.108 56.555 56.400 0.078 0.000 0.908 1209 E CB 1.060 30.798 29.700 0.064 0.000 0.963 1209 E HN 0.495 nan 8.360 nan 0.000 0.431 1210 F N 3.355 123.310 119.950 0.007 0.000 2.202 1210 F HA -0.230 4.297 4.527 0.000 0.000 0.301 1210 F C 1.354 177.159 175.800 0.008 0.000 1.082 1210 F CA 1.739 59.745 58.000 0.009 0.000 1.313 1210 F CB 0.233 39.239 39.000 0.011 0.000 1.024 1210 F HN 0.480 nan 8.300 nan 0.000 0.495 1211 D N 0.284 120.719 120.400 0.058 0.000 2.149 1211 D HA -0.172 4.468 4.640 0.000 0.000 0.201 1211 D C 2.121 178.358 176.300 -0.105 0.000 0.972 1211 D CA 0.918 54.898 54.000 -0.033 0.000 0.835 1211 D CB -0.466 40.377 40.800 0.072 0.000 0.966 1211 D HN 0.350 nan 8.370 nan 0.000 0.476 1212 K N 0.203 120.564 120.400 -0.064 0.000 2.152 1212 K HA -0.142 4.178 4.320 0.000 0.000 0.206 1212 K C 1.974 178.510 176.600 -0.106 0.000 1.048 1212 K CA 0.636 56.886 56.287 -0.062 0.000 0.933 1212 K CB 0.026 32.508 32.500 -0.029 0.000 0.721 1212 K HN 0.018 nan 8.250 nan 0.000 0.447 1213 L N 1.046 122.165 121.223 -0.173 0.000 2.221 1213 L HA -0.007 4.333 4.340 0.000 0.000 0.202 1213 L C 2.212 178.908 176.870 -0.290 0.000 1.074 1213 L CA 1.416 56.136 54.840 -0.201 0.000 0.795 1213 L CB -0.320 41.625 42.059 -0.189 0.000 0.960 1213 L HN -0.019 nan 8.230 nan 0.000 0.458 1214 K N -0.554 119.541 120.400 -0.508 0.000 2.057 1214 K HA -0.134 4.186 4.320 0.000 0.000 0.207 1214 K C 1.886 178.351 176.600 -0.226 0.000 1.049 1214 K CA 1.405 57.401 56.287 -0.485 0.000 0.931 1214 K CB -0.528 31.536 32.500 -0.726 0.000 0.714 1214 K HN 0.450 nan 8.250 nan 0.000 0.440 1215 G N 0.841 109.537 108.800 -0.173 0.000 2.462 1215 G HA2 -0.239 3.722 3.960 0.000 0.000 0.220 1215 G HA3 -0.239 3.722 3.960 0.000 0.000 0.220 1215 G C 1.269 176.121 174.900 -0.080 0.000 1.121 1215 G CA 0.794 45.837 45.100 -0.096 0.000 0.758 1215 G HN 0.250 nan 8.290 nan 0.000 0.559 1216 M N 0.009 119.552 119.600 -0.094 0.000 2.553 1216 M HA 0.338 4.818 4.480 0.000 0.000 0.255 1216 M C 2.146 178.405 176.300 -0.069 0.000 1.181 1216 M CA 0.702 55.960 55.300 -0.071 0.000 1.210 1216 M CB 0.032 32.593 32.600 -0.066 0.000 1.280 1216 M HN 0.314 nan 8.290 nan 0.000 0.495 1217 I N -2.646 117.873 120.570 -0.085 0.000 4.018 1217 I HA 0.552 4.722 4.170 0.000 0.000 0.337 1217 I C 0.699 176.773 176.117 -0.070 0.000 1.327 1217 I CA 0.140 61.399 61.300 -0.068 0.000 1.100 1217 I CB -0.472 37.493 38.000 -0.057 0.000 1.025 1217 I HN 0.352 nan 8.210 nan 0.000 0.396 1218 G N 1.904 110.651 108.800 -0.090 0.000 2.757 1218 G HA2 -0.250 3.711 3.960 0.000 0.000 0.638 1218 G HA3 -0.250 3.711 3.960 0.000 0.000 0.638 1218 G C 0.011 174.864 174.900 -0.078 0.000 1.344 1218 G CA 0.262 45.320 45.100 -0.071 0.000 0.855 1218 G HN 0.416 nan 8.290 nan 0.000 0.537 1219 E N -0.511 119.685 120.200 -0.008 0.000 2.060 1219 E HA 0.182 4.532 4.350 0.000 0.000 0.189 1219 E C 2.971 179.648 176.600 0.128 0.000 0.974 1219 E CA 1.310 57.764 56.400 0.091 0.000 0.808 1219 E CB -0.192 29.610 29.700 0.170 0.000 0.768 1219 E HN 0.891 nan 8.360 nan 0.000 0.453 1220 A N 1.405 124.272 122.820 0.078 0.000 1.883 1220 A HA -0.232 4.088 4.320 0.000 0.000 0.217 1220 A C 2.002 179.647 177.584 0.102 0.000 1.186 1220 A CA 1.728 53.815 52.037 0.082 0.000 0.624 1220 A CB -0.388 18.627 19.000 0.025 0.000 0.822 1220 A HN 0.078 nan 8.150 nan 0.000 0.444 1221 K N -0.485 119.942 120.400 0.044 0.000 2.147 1221 K HA -0.019 4.302 4.320 0.000 0.000 0.205 1221 K C 2.256 178.930 176.600 0.122 0.000 1.049 1221 K CA 0.957 57.282 56.287 0.062 0.000 0.936 1221 K CB -0.274 32.221 32.500 -0.008 0.000 0.722 1221 K HN 0.471 nan 8.250 nan 0.000 0.446 1222 A N 1.762 124.622 122.820 0.066 0.000 1.855 1222 A HA -0.203 4.117 4.320 0.000 0.000 0.215 1222 A C 1.852 179.567 177.584 0.219 0.000 1.191 1222 A CA 1.540 53.608 52.037 0.051 0.000 0.613 1222 A CB -0.309 18.562 19.000 -0.216 0.000 0.829 1222 A HN 0.161 nan 8.150 nan 0.000 0.442 1223 K N -1.539 119.047 120.400 0.309 0.000 2.001 1223 K HA -0.220 4.100 4.320 0.000 0.000 0.214 1223 K C 2.010 178.746 176.600 0.228 0.000 1.050 1223 K CA 1.927 58.379 56.287 0.275 0.000 0.934 1223 K CB -0.579 32.059 32.500 0.230 0.000 0.718 1223 K HN 0.557 nan 8.250 nan 0.000 0.443 1224 Y N 1.998 122.365 120.300 0.111 0.000 2.069 1224 Y HA -0.315 4.235 4.550 0.000 0.000 0.278 1224 Y C 1.892 177.807 175.900 0.026 0.000 1.175 1224 Y CA 1.651 59.804 58.100 0.089 0.000 1.134 1224 Y CB -0.410 38.072 38.460 0.036 0.000 0.965 1224 Y HN -0.010 nan 8.280 nan 0.000 0.498 1225 L N -0.417 120.832 121.223 0.043 0.000 1.961 1225 L HA -0.233 4.107 4.340 0.000 0.000 0.210 1225 L C 2.602 179.428 176.870 -0.074 0.000 1.072 1225 L CA 1.929 56.721 54.840 -0.080 0.000 0.749 1225 L CB -0.714 41.368 42.059 0.040 0.000 0.889 1225 L HN 0.345 nan 8.230 nan 0.000 0.432 1226 I N -0.997 119.586 120.570 0.022 0.000 2.454 1226 I HA -0.311 3.859 4.170 0.000 0.000 0.254 1226 I C 2.736 178.871 176.117 0.030 0.000 1.156 1226 I CA 1.099 62.424 61.300 0.040 0.000 1.433 1226 I CB 0.136 38.193 38.000 0.095 0.000 1.082 1226 I HN 0.240 nan 8.210 nan 0.000 0.432 1227 S N 0.497 116.214 115.700 0.029 0.000 2.368 1227 S HA -0.136 4.335 4.470 0.000 0.000 0.224 1227 S C 1.996 176.615 174.600 0.032 0.000 1.029 1227 S CA 1.222 59.452 58.200 0.050 0.000 0.988 1227 S CB -0.303 62.962 63.200 0.110 0.000 0.838 1227 S HN 0.489 nan 8.310 nan 0.000 0.462 1228 L N 0.913 122.077 121.223 -0.098 0.000 2.083 1228 L HA -0.072 4.268 4.340 0.000 0.000 0.209 1228 L C 2.887 179.801 176.870 0.072 0.000 1.083 1228 L CA 1.238 56.029 54.840 -0.082 0.000 0.752 1228 L CB -0.612 41.193 42.059 -0.423 0.000 0.899 1228 L HN 0.431 nan 8.230 nan 0.000 0.433 1229 A N -0.117 122.713 122.820 0.017 0.000 1.897 1229 A HA -0.137 4.183 4.320 0.000 0.000 0.215 1229 A C 2.252 179.857 177.584 0.035 0.000 1.181 1229 A CA 1.005 53.065 52.037 0.038 0.000 0.620 1229 A CB -0.365 18.646 19.000 0.018 0.000 0.821 1229 A HN 0.294 nan 8.150 nan 0.000 0.443 1230 R N -0.877 119.644 120.500 0.034 0.000 2.339 1230 R HA -0.038 4.302 4.340 0.000 0.000 0.199 1230 R C -0.062 176.260 176.300 0.036 0.000 1.018 1230 R CA 0.673 56.792 56.100 0.031 0.000 1.036 1230 R CB -0.164 30.154 30.300 0.031 0.000 0.899 1230 R HN 0.464 nan 8.270 nan 0.000 0.473 1231 D N 0.904 121.338 120.400 0.057 0.000 2.945 1231 D HA -0.163 4.477 4.640 0.000 0.000 0.225 1231 D C -0.684 175.667 176.300 0.085 0.000 1.158 1231 D CA 1.105 55.145 54.000 0.068 0.000 0.805 1231 D CB -0.915 39.892 40.800 0.011 0.000 1.098 1231 D HN 0.465 nan 8.370 nan 0.000 0.426 1232 E N -0.164 120.092 120.200 0.094 0.000 2.815 1232 E HA 0.034 4.384 4.350 0.000 0.000 0.211 1232 E C -0.229 176.437 176.600 0.111 0.000 1.004 1232 E CA -0.556 55.891 56.400 0.079 0.000 1.173 1232 E CB 0.279 30.006 29.700 0.045 0.000 1.163 1232 E HN 0.324 nan 8.360 nan 0.000 0.449 1233 Y N 2.408 122.719 120.300 0.018 0.000 2.573 1233 Y HA 0.062 4.613 4.550 0.000 0.000 0.346 1233 Y C -0.161 175.748 175.900 0.015 0.000 1.198 1233 Y CA -0.779 57.322 58.100 0.002 0.000 1.627 1233 Y CB -0.342 38.106 38.460 -0.020 0.000 1.457 1233 Y HN -0.060 nan 8.280 nan 0.000 0.483 1234 N N 6.101 124.653 118.700 -0.247 0.000 2.466 1234 N HA 0.039 4.779 4.740 0.000 0.000 0.263 1234 N C -0.887 174.345 175.510 -0.462 0.000 1.178 1234 N CA 0.372 53.264 53.050 -0.264 0.000 0.983 1234 N CB 0.174 38.580 38.487 -0.135 0.000 1.331 1234 N HN 0.570 nan 8.380 nan 0.000 0.500 1235 E N 2.172 122.040 120.200 -0.552 0.000 2.317 1235 E HA 0.309 4.659 4.350 0.000 0.000 0.270 1235 E C -2.563 173.895 176.600 -0.236 0.000 0.899 1235 E CA -1.389 54.719 56.400 -0.487 0.000 0.814 1235 E CB 2.659 31.846 29.700 -0.856 0.000 1.296 1235 E HN 0.290 nan 8.360 nan 0.000 0.404 1236 P HA 0.422 nan 4.420 nan 0.000 0.292 1236 P C 0.087 177.355 177.300 -0.053 0.000 1.283 1236 P CA -0.846 62.212 63.100 -0.069 0.000 0.835 1236 P CB 1.014 32.686 31.700 -0.047 0.000 1.017 1237 I N 3.122 123.683 120.570 -0.015 0.000 2.906 1237 I HA -0.106 4.064 4.170 0.000 0.000 0.301 1237 I C 1.089 177.220 176.117 0.024 0.000 1.221 1237 I CA 1.339 62.652 61.300 0.022 0.000 1.435 1237 I CB -0.418 37.634 38.000 0.088 0.000 1.345 1237 I HN 0.395 nan 8.210 nan 0.000 0.558 1238 R N 2.845 123.362 120.500 0.028 0.000 2.673 1238 R HA 0.587 4.927 4.340 0.000 0.000 0.281 1238 R C -0.862 175.467 176.300 0.048 0.000 0.991 1238 R CA -0.835 55.282 56.100 0.028 0.000 0.896 1238 R CB 0.055 30.359 30.300 0.007 0.000 1.201 1238 R HN 0.383 nan 8.270 nan 0.000 0.457 1239 T N 3.469 118.050 114.554 0.046 0.000 2.759 1239 T HA 0.098 4.449 4.350 0.000 0.000 0.273 1239 T C 0.002 174.732 174.700 0.050 0.000 0.938 1239 T CA -0.263 61.868 62.100 0.053 0.000 1.197 1239 T CB -0.231 68.665 68.868 0.046 0.000 0.887 1239 T HN 0.217 nan 8.240 nan 0.000 0.540 1240 R N 2.657 123.193 120.500 0.060 0.000 2.316 1240 R HA 0.295 4.635 4.340 0.000 0.000 0.314 1240 R C -0.337 175.998 176.300 0.058 0.000 1.069 1240 R CA -0.371 55.762 56.100 0.055 0.000 0.959 1240 R CB 0.551 30.891 30.300 0.066 0.000 0.987 1240 R HN 0.367 nan 8.270 nan 0.000 0.446 1241 V N 3.877 123.823 119.914 0.053 0.000 2.427 1241 V HA 0.208 4.328 4.120 0.000 0.000 0.286 1241 V C 0.510 176.651 176.094 0.078 0.000 1.034 1241 V CA -1.028 61.313 62.300 0.067 0.000 0.893 1241 V CB 1.392 33.254 31.823 0.064 0.000 0.982 1241 V HN 0.629 nan 8.190 nan 0.000 0.452 1242 R N 3.795 124.364 120.500 0.115 0.000 2.538 1242 R HA 0.080 4.420 4.340 0.000 0.000 0.282 1242 R C 0.511 176.909 176.300 0.164 0.000 1.009 1242 R CA 0.999 57.191 56.100 0.153 0.000 1.063 1242 R CB 0.120 30.537 30.300 0.194 0.000 0.945 1242 R HN 0.735 nan 8.270 nan 0.000 0.414 1243 K N 1.168 121.599 120.400 0.052 0.000 2.425 1243 K HA 0.148 4.468 4.320 0.000 0.000 0.201 1243 K C -0.591 175.786 176.600 -0.371 0.000 1.128 1243 K CA 0.569 56.750 56.287 -0.177 0.000 1.000 1243 K CB 0.638 33.064 32.500 -0.124 0.000 0.961 1243 K HN 0.762 nan 8.250 nan 0.000 0.555 1244 S N 0.264 115.948 115.700 -0.026 0.000 2.543 1244 S HA 0.480 4.951 4.470 0.000 0.000 0.273 1244 S C -1.111 173.672 174.600 0.304 0.000 1.152 1244 S CA -1.037 57.222 58.200 0.099 0.000 0.910 1244 S CB 1.486 64.686 63.200 0.001 0.000 1.105 1244 S HN -0.094 nan 8.310 nan 0.000 0.465 1245 I N 2.251 123.092 120.570 0.452 0.000 2.474 1245 I HA 0.861 5.032 4.170 0.000 0.000 0.294 1245 I C 0.721 177.021 176.117 0.304 0.000 1.005 1245 I CA -0.101 61.387 61.300 0.312 0.000 1.113 1245 I CB 1.359 39.494 38.000 0.225 0.000 1.289 1245 I HN 1.124 nan 8.210 nan 0.000 0.436 1246 G N 4.717 113.650 108.800 0.221 0.000 2.649 1246 G HA2 0.712 4.672 3.960 0.000 0.000 0.290 1246 G HA3 0.712 4.672 3.960 0.000 0.000 0.290 1246 G C -1.721 173.280 174.900 0.169 0.000 1.426 1246 G CA -0.662 44.560 45.100 0.203 0.000 0.794 1246 G HN 0.511 nan 8.290 nan 0.000 0.483 1247 R N -0.727 119.865 120.500 0.153 0.000 2.535 1247 R HA 0.655 4.996 4.340 0.000 0.000 0.274 1247 R C -2.114 174.247 176.300 0.101 0.000 1.090 1247 R CA -0.614 55.565 56.100 0.132 0.000 0.930 1247 R CB 1.490 31.885 30.300 0.158 0.000 1.223 1247 R HN 0.602 nan 8.270 nan 0.000 0.441 1248 I N 4.431 125.048 120.570 0.078 0.000 2.412 1248 I HA 0.532 4.702 4.170 0.000 0.000 0.296 1248 I C -1.178 174.974 176.117 0.058 0.000 0.987 1248 I CA -0.656 60.676 61.300 0.054 0.000 1.180 1248 I CB 2.060 40.080 38.000 0.034 0.000 1.340 1248 I HN 0.463 nan 8.210 nan 0.000 0.455 1249 V N 5.594 125.539 119.914 0.051 0.000 2.407 1249 V HA 0.377 4.497 4.120 0.000 0.000 0.291 1249 V C 0.094 176.172 176.094 -0.028 0.000 1.018 1249 V CA -0.787 61.549 62.300 0.059 0.000 0.842 1249 V CB 1.239 33.151 31.823 0.149 0.000 0.996 1249 V HN 0.729 nan 8.190 nan 0.000 0.426 1250 T N 7.034 121.566 114.554 -0.036 0.000 2.817 1250 T HA 0.277 4.627 4.350 0.000 0.000 0.295 1250 T C 0.286 174.836 174.700 -0.249 0.000 0.958 1250 T CA 0.252 62.293 62.100 -0.099 0.000 1.157 1250 T CB 0.046 68.890 68.868 -0.039 0.000 0.898 1250 T HN 0.502 nan 8.240 nan 0.000 0.536 1251 M N 2.970 122.310 119.600 -0.432 0.000 2.242 1251 M HA 0.215 4.695 4.480 0.000 0.000 0.344 1251 M C 1.381 177.460 176.300 -0.369 0.000 1.140 1251 M CA -0.467 54.326 55.300 -0.844 0.000 1.160 1251 M CB 0.568 32.687 32.600 -0.803 0.000 1.491 1251 M HN 0.323 nan 8.290 nan 0.000 0.459 1252 K N 2.381 122.637 120.400 -0.240 0.000 2.643 1252 K HA 0.003 4.323 4.320 0.000 0.000 0.193 1252 K C -0.630 175.968 176.600 -0.003 0.000 1.027 1252 K CA 0.417 56.705 56.287 0.001 0.000 1.033 1252 K CB -0.171 32.415 32.500 0.143 0.000 0.827 1252 K HN 0.647 nan 8.250 nan 0.000 0.500 1253 R N -1.289 119.171 120.500 -0.066 0.000 4.498 1253 R HA 0.129 4.470 4.340 0.000 0.000 0.244 1253 R C -1.599 174.663 176.300 -0.064 0.000 0.975 1253 R CA -0.848 55.232 56.100 -0.034 0.000 1.233 1253 R CB -0.420 29.881 30.300 0.002 0.000 1.221 1253 R HN -0.200 nan 8.270 nan 0.000 0.619 1254 N N 1.170 119.842 118.700 -0.046 0.000 2.294 1254 N HA 0.105 4.845 4.740 0.000 0.000 0.248 1254 N C -0.673 174.815 175.510 -0.036 0.000 1.242 1254 N CA 0.643 53.665 53.050 -0.046 0.000 0.848 1254 N CB 1.111 39.580 38.487 -0.030 0.000 1.084 1254 N HN 0.604 nan 8.380 nan 0.000 0.457 1255 S N 0.177 115.854 115.700 -0.038 0.000 2.542 1255 S HA 0.387 4.857 4.470 0.000 0.000 0.276 1255 S C -0.050 174.538 174.600 -0.019 0.000 1.148 1255 S CA -0.733 57.455 58.200 -0.021 0.000 0.886 1255 S CB 0.967 64.161 63.200 -0.010 0.000 1.109 1255 S HN 0.570 nan 8.310 nan 0.000 0.458 1256 R N 1.769 122.263 120.500 -0.010 0.000 2.437 1256 R HA 0.245 4.585 4.340 0.000 0.000 0.257 1256 R C 0.400 176.698 176.300 -0.004 0.000 0.927 1256 R CA -0.144 55.951 56.100 -0.009 0.000 1.078 1256 R CB 0.104 30.400 30.300 -0.007 0.000 1.161 1256 R HN 0.605 nan 8.270 nan 0.000 0.529 1257 N N 2.098 120.799 118.700 0.001 0.000 2.406 1257 N HA -0.065 4.676 4.740 0.000 0.000 0.269 1257 N C 1.148 176.659 175.510 0.002 0.000 1.210 1257 N CA -0.271 52.783 53.050 0.006 0.000 0.966 1257 N CB 0.587 39.083 38.487 0.015 0.000 1.293 1257 N HN 0.090 nan 8.380 nan 0.000 0.491 1258 L N 3.758 124.980 121.223 -0.002 0.000 2.089 1258 L HA -0.190 4.151 4.340 0.000 0.000 0.213 1258 L C 1.974 178.829 176.870 -0.025 0.000 1.079 1258 L CA 1.795 56.628 54.840 -0.013 0.000 0.758 1258 L CB -0.163 41.897 42.059 0.000 0.000 0.891 1258 L HN 0.598 nan 8.230 nan 0.000 0.433 1259 E N -0.731 119.466 120.200 -0.005 0.000 2.371 1259 E HA -0.153 4.197 4.350 0.000 0.000 0.194 1259 E C 1.873 178.467 176.600 -0.010 0.000 1.012 1259 E CA 0.558 56.956 56.400 -0.003 0.000 0.860 1259 E CB 0.288 30.002 29.700 0.023 0.000 0.811 1259 E HN 0.669 nan 8.360 nan 0.000 0.502 1260 E N -0.126 120.080 120.200 0.010 0.000 2.276 1260 E HA 0.040 4.390 4.350 0.000 0.000 0.193 1260 E C 1.914 178.581 176.600 0.111 0.000 0.983 1260 E CA 0.012 56.441 56.400 0.050 0.000 0.861 1260 E CB 0.326 30.066 29.700 0.067 0.000 0.817 1260 E HN 0.176 nan 8.360 nan 0.000 0.485 1261 I N 0.613 121.213 120.570 0.049 0.000 2.500 1261 I HA -0.168 4.002 4.170 0.000 0.000 0.252 1261 I C 2.206 178.283 176.117 -0.067 0.000 1.142 1261 I CA 0.624 61.959 61.300 0.058 0.000 1.451 1261 I CB -0.045 37.942 38.000 -0.022 0.000 1.093 1261 I HN -0.048 nan 8.210 nan 0.000 0.430 1262 K N 1.072 121.323 120.400 -0.249 0.000 2.044 1262 K HA -0.176 4.144 4.320 0.000 0.000 0.210 1262 K C -0.551 175.489 176.600 -0.933 0.000 1.049 1262 K CA 1.890 57.743 56.287 -0.722 0.000 0.927 1262 K CB -1.208 30.912 32.500 -0.634 0.000 0.713 1262 K HN 0.284 nan 8.250 nan 0.000 0.443 1263 P HA -0.184 nan 4.420 nan 0.000 0.218 1263 P C 0.875 178.022 177.300 -0.256 0.000 1.148 1263 P CA 1.552 64.503 63.100 -0.248 0.000 0.822 1263 P CB -0.038 31.512 31.700 -0.251 0.000 0.784 1264 Y N -0.491 119.719 120.300 -0.149 0.000 2.243 1264 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 1264 Y C 2.556 178.397 175.900 -0.099 0.000 1.124 1264 Y CA 0.503 58.554 58.100 -0.082 0.000 1.159 1264 Y CB -1.346 37.074 38.460 -0.067 0.000 1.008 1264 Y HN -0.176 nan 8.280 nan 0.000 0.527 1265 L N -0.843 120.340 121.223 -0.068 0.000 2.079 1265 L HA -0.221 4.120 4.340 0.000 0.000 0.210 1265 L C 1.796 178.642 176.870 -0.039 0.000 1.081 1265 L CA 1.817 56.587 54.840 -0.116 0.000 0.752 1265 L CB -0.831 41.062 42.059 -0.276 0.000 0.896 1265 L HN 0.063 nan 8.230 nan 0.000 0.433 1266 F N -0.289 119.569 119.950 -0.153 0.000 2.206 1266 F HA -0.032 4.495 4.527 0.000 0.000 0.298 1266 F C 2.758 178.505 175.800 -0.088 0.000 1.090 1266 F CA 1.160 58.944 58.000 -0.360 0.000 1.323 1266 F CB -1.090 37.695 39.000 -0.359 0.000 1.028 1266 F HN 0.097 nan 8.300 nan 0.000 0.492 1267 R N 0.340 120.946 120.500 0.176 0.000 2.081 1267 R HA -0.121 4.219 4.340 0.000 0.000 0.235 1267 R C 2.366 178.771 176.300 0.174 0.000 1.131 1267 R CA 1.302 57.495 56.100 0.156 0.000 0.960 1267 R CB -0.430 29.934 30.300 0.106 0.000 0.856 1267 R HN 0.213 nan 8.270 nan 0.000 0.436 1268 A N 0.836 123.757 122.820 0.167 0.000 1.902 1268 A HA -0.155 4.165 4.320 0.000 0.000 0.217 1268 A C 2.107 179.857 177.584 0.276 0.000 1.181 1268 A CA 1.409 53.558 52.037 0.188 0.000 0.623 1268 A CB -0.490 18.598 19.000 0.146 0.000 0.818 1268 A HN 0.330 nan 8.150 nan 0.000 0.443 1269 I N -0.559 120.192 120.570 0.302 0.000 2.179 1269 I HA -0.214 3.956 4.170 0.000 0.000 0.242 1269 I C 2.523 178.926 176.117 0.477 0.000 1.088 1269 I CA 1.234 62.822 61.300 0.481 0.000 1.357 1269 I CB -0.413 37.798 38.000 0.352 0.000 1.051 1269 I HN 0.287 nan 8.210 nan 0.000 0.409 1270 E N 1.111 121.522 120.200 0.351 0.000 2.058 1270 E HA -0.243 4.107 4.350 0.000 0.000 0.194 1270 E C 2.050 178.825 176.600 0.291 0.000 0.997 1270 E CA 1.552 58.138 56.400 0.310 0.000 0.801 1270 E CB -0.259 29.586 29.700 0.242 0.000 0.746 1270 E HN 0.615 nan 8.360 nan 0.000 0.450 1271 E N 0.362 120.710 120.200 0.247 0.000 2.152 1271 E HA -0.049 4.301 4.350 0.000 0.000 0.192 1271 E C 2.219 178.980 176.600 0.267 0.000 0.983 1271 E CA 0.683 57.218 56.400 0.225 0.000 0.818 1271 E CB -0.074 29.722 29.700 0.159 0.000 0.758 1271 E HN 0.024 nan 8.360 nan 0.000 0.467 1272 S N 0.595 116.470 115.700 0.291 0.000 2.382 1272 S HA -0.137 4.334 4.470 0.000 0.000 0.228 1272 S C 1.717 176.345 174.600 0.046 0.000 1.027 1272 S CA 0.996 59.345 58.200 0.249 0.000 0.991 1272 S CB -0.277 63.215 63.200 0.486 0.000 0.823 1272 S HN 0.309 nan 8.310 nan 0.000 0.469 1273 Y N -0.361 119.963 120.300 0.040 0.000 2.314 1273 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 1273 Y C 2.194 178.091 175.900 -0.004 0.000 1.129 1273 Y CA 1.017 59.076 58.100 -0.068 0.000 1.201 1273 Y CB -0.337 38.089 38.460 -0.057 0.000 0.999 1273 Y HN 0.310 nan 8.280 nan 0.000 0.541 1274 Y N 0.782 121.147 120.300 0.109 0.000 2.181 1274 Y HA -0.257 4.294 4.550 0.001 0.000 0.288 1274 Y C 2.139 178.039 175.900 0.001 0.000 1.146 1274 Y CA 1.723 59.853 58.100 0.050 0.000 1.164 1274 Y CB -0.140 38.355 38.460 0.058 0.000 0.982 1274 Y HN -0.120 nan 8.280 nan 0.000 0.515 1275 K N 0.187 120.651 120.400 0.107 0.000 2.025 1275 K HA -0.107 4.214 4.320 0.000 0.000 0.207 1275 K C 2.028 178.545 176.600 -0.138 0.000 1.049 1275 K CA 1.595 57.889 56.287 0.011 0.000 0.933 1275 K CB -0.563 31.997 32.500 0.101 0.000 0.714 1275 K HN 0.316 nan 8.250 nan 0.000 0.438 1276 L N 0.550 121.645 121.223 -0.212 0.000 1.990 1276 L HA -0.231 4.110 4.340 0.000 0.000 0.213 1276 L C 0.242 176.918 176.870 -0.323 0.000 1.072 1276 L CA 1.249 55.866 54.840 -0.373 0.000 0.755 1276 L CB -0.792 40.923 42.059 -0.573 0.000 0.889 1276 L HN 0.448 nan 8.230 nan 0.000 0.432 1277 D N -0.085 120.155 120.400 -0.268 0.000 3.666 1277 D HA -0.242 4.398 4.640 0.000 0.000 0.220 1277 D C 0.589 176.769 176.300 -0.200 0.000 1.105 1277 D CA 0.810 54.667 54.000 -0.237 0.000 1.111 1277 D CB -0.024 40.606 40.800 -0.282 0.000 0.790 1277 D HN 0.379 nan 8.370 nan 0.000 0.389 1278 K N 0.116 120.419 120.400 -0.161 0.000 3.695 1278 K HA -0.266 4.054 4.320 0.000 0.000 0.416 1278 K C 0.724 177.227 176.600 -0.161 0.000 0.459 1278 K CA 1.539 57.748 56.287 -0.129 0.000 1.825 1278 K CB -1.576 30.859 32.500 -0.108 0.000 0.891 1278 K HN 0.651 nan 8.250 nan 0.000 0.469 1279 R N 1.821 122.166 120.500 -0.259 0.000 2.484 1279 R HA 0.110 4.451 4.340 0.000 0.000 0.293 1279 R C 0.244 176.328 176.300 -0.360 0.000 1.023 1279 R CA 0.237 56.112 56.100 -0.375 0.000 1.037 1279 R CB 0.214 30.084 30.300 -0.717 0.000 0.951 1279 R HN 0.094 nan 8.270 nan 0.000 0.418 1280 I N 6.937 127.399 120.570 -0.179 0.000 2.328 1280 I HA 0.271 4.442 4.170 0.000 0.000 0.287 1280 I C -2.064 174.109 176.117 0.094 0.000 1.012 1280 I CA -3.029 58.231 61.300 -0.066 0.000 1.195 1280 I CB 1.191 39.200 38.000 0.015 0.000 1.350 1280 I HN 0.400 nan 8.210 nan 0.000 0.464 1281 P HA 0.325 nan 4.420 nan 0.000 0.282 1281 P C -0.139 177.341 177.300 0.300 0.000 1.249 1281 P CA -0.474 62.873 63.100 0.410 0.000 0.806 1281 P CB 1.725 33.696 31.700 0.452 0.000 0.984 1282 K N 0.603 121.174 120.400 0.285 0.000 2.360 1282 K HA 0.338 4.658 4.320 0.000 0.000 0.196 1282 K C 0.599 177.371 176.600 0.287 0.000 1.049 1282 K CA 0.048 56.474 56.287 0.231 0.000 1.049 1282 K CB 0.759 33.354 32.500 0.157 0.000 0.881 1282 K HN 0.498 nan 8.250 nan 0.000 0.542 1283 A N 1.720 124.709 122.820 0.282 0.000 2.342 1283 A HA 0.622 4.942 4.320 0.000 0.000 0.323 1283 A C -1.132 176.615 177.584 0.272 0.000 1.125 1283 A CA -0.665 51.507 52.037 0.225 0.000 0.785 1283 A CB 0.913 20.014 19.000 0.169 0.000 1.221 1283 A HN 0.240 nan 8.150 nan 0.000 0.463 1284 I N 2.208 122.842 120.570 0.106 0.000 2.545 1284 I HA 0.518 4.688 4.170 0.000 0.000 0.292 1284 I C -1.295 174.639 176.117 -0.304 0.000 1.040 1284 I CA -0.485 60.758 61.300 -0.095 0.000 1.068 1284 I CB 1.441 39.461 38.000 0.033 0.000 1.251 1284 I HN 0.741 nan 8.210 nan 0.000 0.424 1285 H N 6.296 125.245 119.070 -0.202 0.000 2.609 1285 H HA 0.349 4.905 4.556 0.000 0.000 0.344 1285 H C -1.036 174.207 175.328 -0.142 0.000 1.040 1285 H CA -0.691 55.282 56.048 -0.124 0.000 1.216 1285 H CB 2.519 32.224 29.762 -0.095 0.000 1.529 1285 H HN 0.283 nan 8.280 nan 0.000 0.519 1286 V N 4.635 124.549 119.914 0.000 0.000 2.368 1286 V HA 0.060 4.180 4.120 0.000 0.000 0.266 1286 V C 0.326 176.427 176.094 0.012 0.000 1.045 1286 V CA -0.508 61.786 62.300 -0.009 0.000 0.899 1286 V CB 1.089 32.909 31.823 -0.006 0.000 1.006 1286 V HN 0.427 nan 8.190 nan 0.000 0.470 1287 V N 5.201 125.117 119.914 0.004 0.000 2.383 1287 V HA 0.655 4.775 4.120 0.000 0.000 0.275 1287 V C 0.532 176.623 176.094 -0.005 0.000 1.036 1287 V CA -0.366 61.935 62.300 0.003 0.000 0.889 1287 V CB 1.428 33.249 31.823 -0.002 0.000 0.985 1287 V HN 0.928 nan 8.190 nan 0.000 0.459 1288 A N 5.291 128.107 122.820 -0.008 0.000 2.271 1288 A HA 0.738 5.058 4.320 0.000 0.000 0.317 1288 A C -0.542 177.032 177.584 -0.016 0.000 1.245 1288 A CA -0.489 51.538 52.037 -0.016 0.000 0.857 1288 A CB 1.156 20.146 19.000 -0.016 0.000 1.175 1288 A HN 0.624 nan 8.150 nan 0.000 0.512 1289 V N 3.939 123.840 119.914 -0.021 0.000 2.368 1289 V HA 0.302 4.422 4.120 0.000 0.000 0.266 1289 V C 1.065 177.145 176.094 -0.023 0.000 1.045 1289 V CA 0.042 62.331 62.300 -0.019 0.000 0.899 1289 V CB 0.690 32.502 31.823 -0.018 0.000 1.006 1289 V HN 1.058 nan 8.190 nan 0.000 0.470 1290 T N 0.919 115.462 114.554 -0.019 0.000 2.766 1290 T HA 0.130 4.480 4.350 0.000 0.000 0.295 1290 T C 1.202 175.891 174.700 -0.018 0.000 1.024 1290 T CA 0.114 62.203 62.100 -0.019 0.000 1.018 1290 T CB 1.044 69.903 68.868 -0.015 0.000 1.002 1290 T HN 0.767 nan 8.240 nan 0.000 0.532 1291 E N 0.844 121.033 120.200 -0.018 0.000 2.070 1291 E HA -0.256 4.094 4.350 0.000 0.000 0.197 1291 E C 1.220 177.813 176.600 -0.012 0.000 1.004 1291 E CA 1.678 58.068 56.400 -0.016 0.000 0.805 1291 E CB -0.298 29.392 29.700 -0.016 0.000 0.744 1291 E HN 0.859 nan 8.360 nan 0.000 0.451 1292 D N 1.180 121.573 120.400 -0.011 0.000 2.494 1292 D HA -0.121 4.519 4.640 0.000 0.000 0.249 1292 D C 0.829 177.124 176.300 -0.008 0.000 1.223 1292 D CA 0.083 54.078 54.000 -0.009 0.000 0.865 1292 D CB -0.263 40.531 40.800 -0.010 0.000 0.974 1292 D HN 0.388 nan 8.370 nan 0.000 0.491 1293 L N -0.633 120.586 121.223 -0.007 0.000 4.137 1293 L HA -0.239 4.102 4.340 0.000 0.000 0.421 1293 L C 0.030 176.896 176.870 -0.008 0.000 1.162 1293 L CA 0.867 55.705 54.840 -0.005 0.000 0.978 1293 L CB -1.143 40.916 42.059 -0.000 0.000 1.957 1293 L HN 0.284 nan 8.230 nan 0.000 0.978 1294 D N 0.051 120.445 120.400 -0.010 0.000 2.340 1294 D HA 0.566 5.206 4.640 0.000 0.000 0.251 1294 D C 0.062 176.355 176.300 -0.012 0.000 1.080 1294 D CA -0.216 53.777 54.000 -0.011 0.000 0.971 1294 D CB 1.072 41.865 40.800 -0.011 0.000 1.137 1294 D HN 0.164 nan 8.370 nan 0.000 0.475 1295 I N 1.703 122.266 120.570 -0.013 0.000 2.378 1295 I HA 0.286 4.456 4.170 0.000 0.000 0.291 1295 I C -0.539 175.570 176.117 -0.013 0.000 0.992 1295 I CA -0.862 60.430 61.300 -0.014 0.000 1.154 1295 I CB 1.903 39.894 38.000 -0.015 0.000 1.315 1295 I HN -0.009 nan 8.210 nan 0.000 0.448 1296 V N 4.721 124.629 119.914 -0.010 0.000 2.604 1296 V HA 0.599 4.720 4.120 0.000 0.000 0.305 1296 V C -0.212 175.883 176.094 0.001 0.000 1.043 1296 V CA -0.483 61.814 62.300 -0.006 0.000 0.888 1296 V CB 2.118 33.937 31.823 -0.006 0.000 0.995 1296 V HN 0.842 nan 8.190 nan 0.000 0.429 1297 S N 5.183 120.890 115.700 0.011 0.000 2.538 1297 S HA 0.787 5.257 4.470 0.000 0.000 0.288 1297 S C -1.020 173.616 174.600 0.059 0.000 1.108 1297 S CA -1.030 57.193 58.200 0.037 0.000 0.971 1297 S CB 2.271 65.494 63.200 0.038 0.000 1.041 1297 S HN 0.540 nan 8.310 nan 0.000 0.483 1298 R N 1.533 122.064 120.500 0.053 0.000 2.494 1298 R HA 0.781 5.121 4.340 0.000 0.000 0.305 1298 R C 0.076 176.363 176.300 -0.020 0.000 0.959 1298 R CA -0.420 55.694 56.100 0.024 0.000 0.864 1298 R CB 1.616 31.913 30.300 -0.004 0.000 1.159 1298 R HN 0.988 nan 8.270 nan 0.000 0.446 1299 G N 1.041 109.766 108.800 -0.124 0.000 2.619 1299 G HA2 0.661 4.621 3.960 0.000 0.000 0.296 1299 G HA3 0.661 4.621 3.960 0.000 0.000 0.296 1299 G C -1.291 173.356 174.900 -0.421 0.000 1.334 1299 G CA -0.587 44.183 45.100 -0.550 0.000 0.934 1299 G HN 0.365 nan 8.290 nan 0.000 0.476 1300 R N -0.152 120.088 120.500 -0.434 0.000 2.628 1300 R HA 0.618 4.958 4.340 0.000 0.000 0.288 1300 R C -1.171 174.934 176.300 -0.325 0.000 0.980 1300 R CA -0.479 55.395 56.100 -0.377 0.000 0.891 1300 R CB 1.993 32.023 30.300 -0.450 0.000 1.188 1300 R HN 0.476 nan 8.270 nan 0.000 0.450 1301 T N 4.587 118.963 114.554 -0.298 0.000 2.758 1301 T HA 0.406 4.756 4.350 0.000 0.000 0.285 1301 T C -0.745 173.803 174.700 -0.254 0.000 0.981 1301 T CA -0.198 61.816 62.100 -0.144 0.000 0.965 1301 T CB 0.187 69.017 68.868 -0.064 0.000 0.927 1301 T HN 0.252 nan 8.240 nan 0.000 0.448 1302 F N 3.809 123.683 119.950 -0.128 0.000 2.378 1302 F HA 0.380 4.907 4.527 0.000 0.000 0.325 1302 F C -1.309 174.353 175.800 -0.230 0.000 1.097 1302 F CA -2.412 55.426 58.000 -0.271 0.000 1.079 1302 F CB 0.741 39.402 39.000 -0.566 0.000 1.240 1302 F HN 0.367 nan 8.300 nan 0.000 0.519 1303 P HA 0.011 nan 4.420 nan 0.000 0.253 1303 P C -0.846 176.524 177.300 0.116 0.000 1.260 1303 P CA 0.804 63.936 63.100 0.053 0.000 0.800 1303 P CB -0.251 31.514 31.700 0.108 0.000 1.162 1304 H N -3.493 115.689 119.070 0.188 0.000 2.960 1304 H HA 0.568 5.124 4.556 0.000 0.000 0.338 1304 H C -0.070 175.328 175.328 0.117 0.000 1.261 1304 H CA -1.261 54.860 56.048 0.122 0.000 1.136 1304 H CB 0.570 30.382 29.762 0.084 0.000 1.875 1304 H HN -0.146 nan 8.280 nan 0.000 0.550 1305 G N 0.394 109.349 108.800 0.259 0.000 2.559 1305 G HA2 0.335 4.295 3.960 0.000 0.000 0.235 1305 G HA3 0.335 4.295 3.960 0.000 0.000 0.235 1305 G C -0.101 174.912 174.900 0.188 0.000 1.266 1305 G CA -0.566 44.643 45.100 0.183 0.000 0.847 1305 G HN 0.512 nan 8.290 nan 0.000 0.583 1306 I N 1.710 122.348 120.570 0.114 0.000 2.312 1306 I HA 0.169 4.339 4.170 0.000 0.000 0.290 1306 I C 0.933 177.124 176.117 0.123 0.000 1.008 1306 I CA -0.487 60.839 61.300 0.044 0.000 1.226 1306 I CB 1.292 39.373 38.000 0.135 0.000 1.371 1306 I HN 0.550 nan 8.210 nan 0.000 0.468 1307 S N 4.864 120.579 115.700 0.025 0.000 2.593 1307 S HA 0.150 4.620 4.470 0.000 0.000 0.269 1307 S C 1.053 175.572 174.600 -0.136 0.000 1.334 1307 S CA -0.570 57.611 58.200 -0.031 0.000 1.015 1307 S CB 1.599 64.750 63.200 -0.082 0.000 0.912 1307 S HN 0.734 nan 8.310 nan 0.000 0.541 1308 K N 0.958 121.102 120.400 -0.425 0.000 2.063 1308 K HA -0.177 4.144 4.320 0.000 0.000 0.208 1308 K C 1.795 178.228 176.600 -0.279 0.000 1.048 1308 K CA 1.941 57.776 56.287 -0.753 0.000 0.928 1308 K CB -0.313 31.666 32.500 -0.868 0.000 0.713 1308 K HN 0.749 nan 8.250 nan 0.000 0.442 1309 E N -0.420 119.625 120.200 -0.258 0.000 2.085 1309 E HA -0.163 4.188 4.350 0.000 0.000 0.194 1309 E C 1.931 178.513 176.600 -0.030 0.000 0.994 1309 E CA 2.029 58.319 56.400 -0.184 0.000 0.801 1309 E CB -0.374 29.220 29.700 -0.176 0.000 0.743 1309 E HN 0.308 nan 8.360 nan 0.000 0.453 1310 T N 0.368 114.903 114.554 -0.031 0.000 2.821 1310 T HA -0.099 4.252 4.350 0.000 0.000 0.267 1310 T C 1.944 176.714 174.700 0.117 0.000 1.046 1310 T CA 1.148 63.249 62.100 0.001 0.000 1.139 1310 T CB -0.344 68.441 68.868 -0.139 0.000 0.871 1310 T HN 0.290 nan 8.240 nan 0.000 0.454 1311 A N 0.465 123.400 122.820 0.193 0.000 1.902 1311 A HA -0.095 4.225 4.320 0.000 0.000 0.217 1311 A C 2.043 179.846 177.584 0.365 0.000 1.181 1311 A CA 1.348 53.629 52.037 0.407 0.000 0.623 1311 A CB -1.112 18.268 19.000 0.632 0.000 0.818 1311 A HN 0.589 nan 8.150 nan 0.000 0.443 1312 Y N 0.616 120.965 120.300 0.081 0.000 2.165 1312 Y HA -0.219 4.331 4.550 0.000 0.000 0.286 1312 Y C 3.037 179.016 175.900 0.131 0.000 1.155 1312 Y CA 1.695 59.811 58.100 0.028 0.000 1.164 1312 Y CB 0.015 38.306 38.460 -0.281 0.000 0.978 1312 Y HN 0.337 nan 8.280 nan 0.000 0.513 1313 S N -0.823 115.022 115.700 0.242 0.000 2.388 1313 S HA -0.143 4.328 4.470 0.000 0.000 0.223 1313 S C 1.770 176.496 174.600 0.210 0.000 1.034 1313 S CA 1.132 59.450 58.200 0.197 0.000 0.963 1313 S CB -0.157 63.125 63.200 0.138 0.000 0.827 1313 S HN 0.342 nan 8.310 nan 0.000 0.481 1314 E N 2.295 122.640 120.200 0.241 0.000 2.107 1314 E HA -0.097 4.253 4.350 0.000 0.000 0.191 1314 E C 2.131 178.851 176.600 0.199 0.000 0.982 1314 E CA 1.397 57.956 56.400 0.265 0.000 0.809 1314 E CB -0.393 29.564 29.700 0.428 0.000 0.756 1314 E HN 0.485 nan 8.360 nan 0.000 0.459 1315 S N -0.623 115.205 115.700 0.212 0.000 2.370 1315 S HA -0.177 4.294 4.470 0.000 0.000 0.226 1315 S C 2.115 176.790 174.600 0.125 0.000 1.033 1315 S CA 1.440 59.734 58.200 0.157 0.000 1.011 1315 S CB -0.819 62.495 63.200 0.189 0.000 0.852 1315 S HN 0.129 nan 8.310 nan 0.000 0.457 1316 V N 2.492 122.510 119.914 0.173 0.000 2.295 1316 V HA -0.168 3.952 4.120 0.000 0.000 0.246 1316 V C 2.744 178.890 176.094 0.087 0.000 1.049 1316 V CA 2.200 64.578 62.300 0.131 0.000 1.024 1316 V CB -0.746 31.193 31.823 0.192 0.000 0.648 1316 V HN 0.530 nan 8.190 nan 0.000 0.447 1317 K N -0.126 120.333 120.400 0.099 0.000 2.063 1317 K HA -0.152 4.168 4.320 0.000 0.000 0.208 1317 K C 2.064 178.690 176.600 0.043 0.000 1.048 1317 K CA 1.429 57.758 56.287 0.069 0.000 0.928 1317 K CB -0.344 32.203 32.500 0.079 0.000 0.713 1317 K HN 0.367 nan 8.250 nan 0.000 0.442 1318 L N 0.568 121.817 121.223 0.043 0.000 2.141 1318 L HA -0.153 4.187 4.340 0.000 0.000 0.209 1318 L C 2.359 179.236 176.870 0.011 0.000 1.094 1318 L CA 0.262 55.111 54.840 0.015 0.000 0.763 1318 L CB -0.339 41.723 42.059 0.005 0.000 0.908 1318 L HN 0.157 nan 8.230 nan 0.000 0.437 1319 L N -0.056 121.177 121.223 0.017 0.000 2.017 1319 L HA -0.226 4.114 4.340 0.000 0.000 0.208 1319 L C 2.547 179.419 176.870 0.003 0.000 1.073 1319 L CA 1.801 56.642 54.840 0.001 0.000 0.745 1319 L CB -0.599 41.453 42.059 -0.012 0.000 0.894 1319 L HN 0.239 nan 8.230 nan 0.000 0.432 1320 Q N -0.547 119.261 119.800 0.014 0.000 2.061 1320 Q HA -0.290 4.050 4.340 0.000 0.000 0.204 1320 Q C 2.311 178.316 176.000 0.008 0.000 0.984 1320 Q CA 2.088 57.899 55.803 0.014 0.000 0.846 1320 Q CB -0.318 28.434 28.738 0.024 0.000 0.902 1320 Q HN 0.458 nan 8.270 nan 0.000 0.421 1321 K N 0.711 121.115 120.400 0.008 0.000 2.089 1321 K HA -0.207 4.113 4.320 0.000 0.000 0.210 1321 K C 1.921 178.520 176.600 -0.000 0.000 1.048 1321 K CA 1.446 57.734 56.287 0.002 0.000 0.926 1321 K CB -0.120 32.379 32.500 -0.003 0.000 0.714 1321 K HN 0.196 nan 8.250 nan 0.000 0.448 1322 I N 0.462 121.031 120.570 -0.001 0.000 2.252 1322 I HA -0.228 3.942 4.170 0.000 0.000 0.245 1322 I C 1.355 177.470 176.117 -0.003 0.000 1.102 1322 I CA 0.475 61.774 61.300 -0.003 0.000 1.385 1322 I CB -0.109 37.888 38.000 -0.004 0.000 1.064 1322 I HN 0.117 nan 8.210 nan 0.000 0.414 1323 L N 0.737 121.958 121.223 -0.003 0.000 2.786 1323 L HA -0.054 4.286 4.340 0.000 0.000 0.250 1323 L C 1.493 178.363 176.870 -0.000 0.000 1.151 1323 L CA 1.421 56.259 54.840 -0.002 0.000 0.910 1323 L CB -1.425 40.633 42.059 -0.002 0.000 1.082 1323 L HN 0.335 nan 8.230 nan 0.000 0.433 1324 E N -1.788 118.412 120.200 -0.000 0.000 2.571 1324 E HA 0.054 4.404 4.350 0.000 0.000 0.204 1324 E C 1.105 177.705 176.600 -0.001 0.000 0.851 1324 E CA 0.052 56.452 56.400 0.000 0.000 1.358 1324 E CB 0.279 29.980 29.700 0.002 0.000 1.327 1324 E HN 0.382 nan 8.360 nan 0.000 0.665 1325 E N 0.764 120.963 120.200 -0.002 0.000 2.479 1325 E HA 0.053 4.403 4.350 0.000 0.000 0.193 1325 E C -0.673 175.925 176.600 -0.004 0.000 1.049 1325 E CA 0.251 56.649 56.400 -0.003 0.000 0.870 1325 E CB 0.450 30.148 29.700 -0.003 0.000 0.944 1325 E HN -0.018 nan 8.360 nan 0.000 0.492 1326 D N -0.777 119.620 120.400 -0.004 0.000 2.964 1326 D HA 0.109 4.749 4.640 0.000 0.000 0.234 1326 D C -0.412 175.885 176.300 -0.006 0.000 1.223 1326 D CA -0.320 53.677 54.000 -0.005 0.000 0.889 1326 D CB 1.379 42.175 40.800 -0.006 0.000 1.609 1326 D HN -0.190 nan 8.370 nan 0.000 0.523 1327 E N 0.837 121.033 120.200 -0.006 0.000 2.460 1327 E HA 0.212 4.562 4.350 0.000 0.000 0.200 1327 E C 0.233 176.829 176.600 -0.007 0.000 1.011 1327 E CA -0.094 56.302 56.400 -0.006 0.000 0.912 1327 E CB 0.236 29.933 29.700 -0.005 0.000 0.953 1327 E HN 0.179 nan 8.360 nan 0.000 0.494 1328 R N 1.950 122.445 120.500 -0.009 0.000 2.734 1328 R HA 0.111 4.451 4.340 0.000 0.000 0.266 1328 R C 0.039 176.332 176.300 -0.012 0.000 1.044 1328 R CA 0.259 56.353 56.100 -0.010 0.000 1.128 1328 R CB 0.464 30.758 30.300 -0.011 0.000 1.010 1328 R HN 0.048 nan 8.270 nan 0.000 0.461 1329 K N 2.849 123.240 120.400 -0.014 0.000 2.218 1329 K HA 0.248 4.568 4.320 0.000 0.000 0.276 1329 K C 0.008 176.594 176.600 -0.023 0.000 1.022 1329 K CA -0.220 56.056 56.287 -0.017 0.000 0.946 1329 K CB 0.824 33.314 32.500 -0.017 0.000 1.000 1329 K HN 0.394 nan 8.250 nan 0.000 0.468 1330 I N 2.579 123.132 120.570 -0.029 0.000 2.353 1330 I HA 0.181 4.351 4.170 0.000 0.000 0.293 1330 I C 1.521 177.605 176.117 -0.055 0.000 0.992 1330 I CA -0.340 60.936 61.300 -0.039 0.000 1.268 1330 I CB 1.339 39.314 38.000 -0.042 0.000 1.387 1330 I HN 0.721 nan 8.210 nan 0.000 0.478 1331 R N 4.845 125.312 120.500 -0.055 0.000 2.102 1331 R HA 0.269 4.609 4.340 0.000 0.000 0.208 1331 R C 0.362 176.603 176.300 -0.098 0.000 1.131 1331 R CA 0.194 56.254 56.100 -0.067 0.000 1.054 1331 R CB 0.544 30.822 30.300 -0.037 0.000 0.954 1331 R HN 0.534 nan 8.270 nan 0.000 0.465 1332 R N 0.531 120.987 120.500 -0.073 0.000 2.437 1332 R HA 0.363 4.704 4.340 0.000 0.000 0.310 1332 R C -1.412 174.852 176.300 -0.060 0.000 0.955 1332 R CA -0.637 55.418 56.100 -0.075 0.000 0.851 1332 R CB 2.129 32.406 30.300 -0.038 0.000 1.161 1332 R HN 0.077 nan 8.270 nan 0.000 0.446 1333 I N 1.805 122.336 120.570 -0.066 0.000 2.406 1333 I HA 0.675 4.845 4.170 0.000 0.000 0.290 1333 I C -0.257 175.863 176.117 0.005 0.000 0.999 1333 I CA 0.017 61.298 61.300 -0.032 0.000 1.124 1333 I CB 1.786 39.764 38.000 -0.037 0.000 1.289 1333 I HN 0.715 nan 8.210 nan 0.000 0.441 1334 G N 5.052 113.858 108.800 0.011 0.000 2.870 1334 G HA2 0.721 4.681 3.960 0.000 0.000 0.299 1334 G HA3 0.721 4.681 3.960 0.000 0.000 0.299 1334 G C -1.950 172.962 174.900 0.021 0.000 1.324 1334 G CA -0.543 44.578 45.100 0.035 0.000 0.808 1334 G HN 0.657 nan 8.290 nan 0.000 0.535 1335 V N -0.671 119.258 119.914 0.026 0.000 3.048 1335 V HA 0.852 4.972 4.120 0.000 0.000 0.303 1335 V C -1.320 174.723 176.094 -0.085 0.000 1.214 1335 V CA -0.877 61.387 62.300 -0.061 0.000 0.984 1335 V CB 2.263 34.051 31.823 -0.059 0.000 1.054 1335 V HN 1.012 nan 8.190 nan 0.000 0.430 1336 R N 3.736 124.114 120.500 -0.204 0.000 2.628 1336 R HA 0.720 5.060 4.340 0.000 0.000 0.288 1336 R C -2.133 174.025 176.300 -0.238 0.000 0.980 1336 R CA -0.340 55.700 56.100 -0.101 0.000 0.891 1336 R CB 1.739 32.022 30.300 -0.029 0.000 1.188 1336 R HN 0.559 nan 8.270 nan 0.000 0.450 1337 F N 2.031 122.094 119.950 0.188 0.000 2.508 1337 F HA 0.599 5.126 4.527 0.000 0.000 0.325 1337 F C 0.067 176.020 175.800 0.254 0.000 1.090 1337 F CA -0.098 58.046 58.000 0.239 0.000 0.945 1337 F CB 2.416 41.528 39.000 0.188 0.000 1.156 1337 F HN 0.714 nan 8.300 nan 0.000 0.463 1338 S N 0.190 116.080 115.700 0.317 0.000 2.752 1338 S HA 0.581 5.051 4.470 0.000 0.000 0.284 1338 S C -1.271 173.197 174.600 -0.221 0.000 1.189 1338 S CA -1.464 56.605 58.200 -0.219 0.000 0.835 1338 S CB 1.680 64.806 63.200 -0.123 0.000 1.192 1338 S HN 0.599 nan 8.310 nan 0.000 0.506 1339 K N 0.378 120.540 120.400 -0.397 0.000 3.653 1339 K HA -0.135 4.185 4.320 0.000 0.000 0.275 1339 K C -1.238 175.367 176.600 0.007 0.000 0.962 1339 K CA 0.347 56.538 56.287 -0.159 0.000 0.773 1339 K CB -1.927 30.569 32.500 -0.006 0.000 1.463 1339 K HN 0.405 nan 8.250 nan 0.000 0.450 1340 F N 1.043 121.029 119.950 0.059 0.000 2.418 1340 F HA 0.299 4.826 4.527 0.000 0.000 0.341 1340 F C 1.802 177.624 175.800 0.037 0.000 1.120 1340 F CA -1.323 56.702 58.000 0.041 0.000 1.232 1340 F CB 0.219 39.234 39.000 0.024 0.000 1.175 1340 F HN 0.054 nan 8.300 nan 0.000 0.569 1341 I N 0.000 120.714 120.570 0.241 0.000 2.984 1341 I HA 0.000 4.170 4.170 0.000 0.000 0.288 1341 I CA 0.000 61.384 61.300 0.140 0.000 1.566 1341 I CB 0.000 38.063 38.000 0.106 0.000 1.214 1341 I HN 0.000 nan 8.210 nan 0.000 0.494