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 2hsw_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.607 174.600 0.012 0.000 1.055 1004 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 1004 S CB 0.000 63.194 63.200 -0.010 0.000 0.593 1005 D N 1.559 121.970 120.400 0.017 0.000 2.234 1005 D HA 0.086 4.726 4.640 0.000 0.000 0.205 1005 D C 1.027 177.377 176.300 0.083 0.000 0.962 1005 D CA 1.417 55.441 54.000 0.041 0.000 0.855 1005 D CB 0.353 41.171 40.800 0.029 0.000 0.951 1005 D HN 0.547 nan 8.370 nan 0.000 0.500 1006 V N -1.534 118.408 119.914 0.045 0.000 2.994 1006 V HA 0.363 4.483 4.120 0.000 0.000 0.318 1006 V C 0.855 176.979 176.094 0.050 0.000 1.085 1006 V CA -0.913 61.404 62.300 0.030 0.000 0.998 1006 V CB 1.167 32.870 31.823 -0.200 0.000 1.063 1006 V HN -0.089 nan 8.190 nan 0.000 0.447 1007 F N -0.807 119.129 119.950 -0.023 0.000 2.569 1007 F HA 0.331 4.858 4.527 0.000 0.000 0.295 1007 F C 1.699 177.353 175.800 -0.242 0.000 1.115 1007 F CA 0.890 58.835 58.000 -0.092 0.000 1.450 1007 F CB -1.245 37.730 39.000 -0.041 0.000 1.107 1007 F HN 0.628 nan 8.300 nan 0.000 0.563 1008 H N -0.745 118.180 119.070 -0.241 0.000 2.735 1008 H HA 0.356 4.912 4.556 0.000 0.000 0.250 1008 H C 1.804 177.048 175.328 -0.140 0.000 0.948 1008 H CA 0.298 56.254 56.048 -0.154 0.000 1.137 1008 H CB 0.030 29.668 29.762 -0.208 0.000 1.440 1008 H HN 0.078 nan 8.280 nan 0.000 0.444 1009 L N -0.176 120.965 121.223 -0.137 0.000 2.313 1009 L HA 0.159 4.499 4.340 0.000 0.000 0.214 1009 L C 1.031 177.947 176.870 0.077 0.000 1.119 1009 L CA 0.695 55.511 54.840 -0.040 0.000 0.809 1009 L CB -0.183 41.796 42.059 -0.134 0.000 0.933 1009 L HN 0.505 nan 8.230 nan 0.000 0.449 1010 G N 1.345 110.093 108.800 -0.087 0.000 2.295 1010 G HA2 -0.267 3.693 3.960 0.000 0.000 0.287 1010 G HA3 -0.267 3.693 3.960 0.000 0.000 0.287 1010 G C -0.240 174.676 174.900 0.027 0.000 1.055 1010 G CA 0.056 45.074 45.100 -0.137 0.000 0.922 1010 G HN 0.232 nan 8.290 nan 0.000 0.503 1011 L N -0.787 120.436 121.223 0.000 0.000 2.354 1011 L HA 0.778 5.118 4.340 0.000 0.000 0.264 1011 L C 0.435 177.304 176.870 -0.001 0.000 1.008 1011 L CA -0.912 53.935 54.840 0.012 0.000 0.819 1011 L CB 2.477 44.541 42.059 0.009 0.000 1.339 1011 L HN 0.203 nan 8.230 nan 0.000 0.420 1012 T N -0.289 114.267 114.554 0.003 0.000 2.945 1012 T HA 0.204 4.554 4.350 0.000 0.000 0.286 1012 T C 0.692 175.392 174.700 0.001 0.000 1.025 1012 T CA -0.435 61.667 62.100 0.003 0.000 1.039 1012 T CB 1.905 70.774 68.868 0.003 0.000 1.068 1012 T HN 0.619 nan 8.240 nan 0.000 0.497 1013 K N 2.293 122.695 120.400 0.003 0.000 2.032 1013 K HA -0.136 4.184 4.320 0.000 0.000 0.209 1013 K C 1.983 178.581 176.600 -0.003 0.000 1.048 1013 K CA 2.171 58.459 56.287 0.001 0.000 0.927 1013 K CB -0.320 32.184 32.500 0.006 0.000 0.712 1013 K HN 0.557 nan 8.250 nan 0.000 0.441 1014 N N 0.631 119.330 118.700 -0.002 0.000 2.205 1014 N HA -0.166 4.575 4.740 0.000 0.000 0.186 1014 N C 0.939 176.444 175.510 -0.008 0.000 1.015 1014 N CA 1.766 54.814 53.050 -0.005 0.000 0.862 1014 N CB -0.245 38.239 38.487 -0.004 0.000 0.986 1014 N HN 0.239 nan 8.380 nan 0.000 0.429 1015 D N -0.267 120.128 120.400 -0.008 0.000 2.182 1015 D HA -0.127 4.514 4.640 0.000 0.000 0.201 1015 D C 1.532 177.824 176.300 -0.012 0.000 0.986 1015 D CA 0.718 54.710 54.000 -0.012 0.000 0.847 1015 D CB -0.155 40.640 40.800 -0.009 0.000 0.942 1015 D HN 0.306 nan 8.370 nan 0.000 0.467 1016 L N 0.410 121.627 121.223 -0.010 0.000 2.395 1016 L HA 0.005 4.345 4.340 0.000 0.000 0.218 1016 L C 0.671 177.534 176.870 -0.012 0.000 1.130 1016 L CA 0.521 55.355 54.840 -0.011 0.000 0.826 1016 L CB -0.225 41.825 42.059 -0.016 0.000 0.941 1016 L HN -0.042 nan 8.230 nan 0.000 0.451 1017 Q N -0.289 119.504 119.800 -0.011 0.000 2.475 1017 Q HA -0.270 4.070 4.340 0.000 0.000 0.280 1017 Q C 1.213 177.206 176.000 -0.012 0.000 1.234 1017 Q CA 0.869 56.666 55.803 -0.010 0.000 0.873 1017 Q CB -2.403 26.330 28.738 -0.009 0.000 1.256 1017 Q HN 0.658 nan 8.270 nan 0.000 0.475 1018 G N -1.497 107.295 108.800 -0.013 0.000 2.162 1018 G HA2 -0.287 3.673 3.960 0.000 0.000 0.260 1018 G HA3 -0.287 3.673 3.960 0.000 0.000 0.260 1018 G C 0.383 175.269 174.900 -0.024 0.000 0.976 1018 G CA 0.464 45.555 45.100 -0.016 0.000 0.655 1018 G HN 1.330 nan 8.290 nan 0.000 0.533 1019 A N -0.252 122.551 122.820 -0.027 0.000 2.566 1019 A HA 0.480 4.800 4.320 0.000 0.000 0.245 1019 A C 1.093 178.640 177.584 -0.062 0.000 1.056 1019 A CA 1.457 53.470 52.037 -0.041 0.000 0.757 1019 A CB 0.137 19.114 19.000 -0.038 0.000 0.979 1019 A HN 0.615 nan 8.150 nan 0.000 0.508 1020 Q N 1.188 120.944 119.800 -0.074 0.000 2.164 1020 Q HA 0.325 4.665 4.340 0.000 0.000 0.226 1020 Q C -0.439 175.470 176.000 -0.151 0.000 0.813 1020 Q CA -0.013 55.731 55.803 -0.098 0.000 0.978 1020 Q CB 0.684 29.383 28.738 -0.064 0.000 1.149 1020 Q HN 0.758 nan 8.270 nan 0.000 0.489 1021 L N 0.496 121.629 121.223 -0.149 0.000 2.386 1021 L HA 0.823 5.163 4.340 0.000 0.000 0.271 1021 L C -1.720 175.031 176.870 -0.197 0.000 0.993 1021 L CA -0.648 54.079 54.840 -0.188 0.000 0.819 1021 L CB 1.715 43.707 42.059 -0.113 0.000 1.294 1021 L HN -0.084 nan 8.230 nan 0.000 0.414 1022 A N 5.323 127.974 122.820 -0.282 0.000 2.386 1022 A HA 0.737 5.057 4.320 0.000 0.000 0.311 1022 A C -1.159 176.379 177.584 -0.075 0.000 1.068 1022 A CA -0.614 51.318 52.037 -0.176 0.000 0.743 1022 A CB 1.306 20.181 19.000 -0.208 0.000 1.258 1022 A HN 0.497 nan 8.150 nan 0.000 0.429 1023 I N 2.982 123.545 120.570 -0.011 0.000 2.331 1023 I HA 0.339 4.509 4.170 0.000 0.000 0.292 1023 I C 0.081 176.234 176.117 0.060 0.000 0.998 1023 I CA -0.507 60.807 61.300 0.025 0.000 1.267 1023 I CB 1.017 39.023 38.000 0.010 0.000 1.386 1023 I HN 0.467 nan 8.210 nan 0.000 0.476 1024 V N 6.357 126.324 119.914 0.089 0.000 2.276 1024 V HA 0.509 4.629 4.120 0.000 0.000 0.268 1024 V C -2.486 173.649 176.094 0.069 0.000 1.032 1024 V CA -1.670 60.693 62.300 0.105 0.000 0.810 1024 V CB 0.751 32.674 31.823 0.168 0.000 1.060 1024 V HN 0.491 nan 8.190 nan 0.000 0.446 1025 P HA 0.291 nan 4.420 nan 0.000 0.276 1025 P C 1.019 178.340 177.300 0.035 0.000 1.261 1025 P CA 0.285 63.401 63.100 0.028 0.000 0.800 1025 P CB 1.721 33.425 31.700 0.006 0.000 1.066 1026 G N -0.168 108.643 108.800 0.018 0.000 2.408 1026 G HA2 -0.078 3.882 3.960 0.000 0.000 0.215 1026 G HA3 -0.078 3.882 3.960 0.000 0.000 0.215 1026 G C 0.281 175.178 174.900 -0.004 0.000 1.156 1026 G CA 0.495 45.602 45.100 0.012 0.000 0.793 1026 G HN 0.508 nan 8.290 nan 0.000 0.535 1027 D N 0.133 120.525 120.400 -0.013 0.000 2.232 1027 D HA 0.275 4.915 4.640 0.000 0.000 0.242 1027 D C -1.306 174.980 176.300 -0.023 0.000 1.093 1027 D CA -2.405 51.578 54.000 -0.028 0.000 0.845 1027 D CB 2.377 43.156 40.800 -0.035 0.000 1.124 1027 D HN -0.025 nan 8.370 nan 0.000 0.467 1028 P HA -0.102 nan 4.420 nan 0.000 0.222 1028 P C 0.905 178.190 177.300 -0.025 0.000 1.147 1028 P CA 0.622 63.720 63.100 -0.003 0.000 0.790 1028 P CB 0.580 32.282 31.700 0.004 0.000 0.780 1029 E N -0.052 120.125 120.200 -0.039 0.000 2.204 1029 E HA -0.134 4.216 4.350 0.000 0.000 0.195 1029 E C 1.787 178.333 176.600 -0.090 0.000 0.990 1029 E CA 0.799 57.166 56.400 -0.056 0.000 0.821 1029 E CB -0.036 29.635 29.700 -0.048 0.000 0.750 1029 E HN 0.236 nan 8.360 nan 0.000 0.477 1030 R N 0.113 120.562 120.500 -0.085 0.000 2.297 1030 R HA 0.059 4.399 4.340 0.000 0.000 0.197 1030 R C 2.219 178.429 176.300 -0.151 0.000 0.943 1030 R CA 0.110 56.148 56.100 -0.104 0.000 1.038 1030 R CB -0.426 29.833 30.300 -0.068 0.000 0.957 1030 R HN 0.056 nan 8.270 nan 0.000 0.484 1031 V N 1.286 121.099 119.914 -0.169 0.000 2.261 1031 V HA -0.257 3.863 4.120 0.000 0.000 0.246 1031 V C 2.481 178.260 176.094 -0.524 0.000 1.047 1031 V CA 2.189 64.352 62.300 -0.228 0.000 1.015 1031 V CB -0.460 31.301 31.823 -0.103 0.000 0.642 1031 V HN 0.344 nan 8.190 nan 0.000 0.446 1032 E N 0.218 119.931 120.200 -0.813 0.000 2.058 1032 E HA -0.272 4.078 4.350 0.000 0.000 0.194 1032 E C 2.244 178.447 176.600 -0.663 0.000 0.997 1032 E CA 1.427 57.072 56.400 -1.258 0.000 0.801 1032 E CB -0.119 28.951 29.700 -1.050 0.000 0.746 1032 E HN 0.322 nan 8.360 nan 0.000 0.450 1033 K N 0.319 120.486 120.400 -0.390 0.000 2.211 1033 K HA -0.089 4.231 4.320 0.000 0.000 0.203 1033 K C 2.310 178.803 176.600 -0.178 0.000 1.050 1033 K CA 1.171 57.316 56.287 -0.236 0.000 0.945 1033 K CB -0.342 32.059 32.500 -0.165 0.000 0.732 1033 K HN 0.400 nan 8.250 nan 0.000 0.451 1034 I N -2.073 118.390 120.570 -0.179 0.000 2.584 1034 I HA 0.142 4.313 4.170 0.000 0.000 0.255 1034 I C 2.119 178.175 176.117 -0.102 0.000 1.145 1034 I CA 1.155 62.388 61.300 -0.112 0.000 1.462 1034 I CB -0.939 37.014 38.000 -0.078 0.000 1.102 1034 I HN 0.125 nan 8.210 nan 0.000 0.433 1035 A N 0.917 123.643 122.820 -0.157 0.000 2.019 1035 A HA 0.157 4.477 4.320 0.000 0.000 0.219 1035 A C 2.577 180.131 177.584 -0.050 0.000 1.164 1035 A CA 1.763 53.755 52.037 -0.075 0.000 0.644 1035 A CB -1.189 17.779 19.000 -0.052 0.000 0.805 1035 A HN 1.086 nan 8.150 nan 0.000 0.449 1036 A N -0.256 122.493 122.820 -0.118 0.000 2.015 1036 A HA 0.030 4.350 4.320 0.000 0.000 0.219 1036 A C 1.943 179.507 177.584 -0.033 0.000 1.163 1036 A CA 1.159 53.154 52.037 -0.069 0.000 0.646 1036 A CB -0.466 18.471 19.000 -0.104 0.000 0.806 1036 A HN 0.462 nan 8.150 nan 0.000 0.448 1037 L N -1.220 119.980 121.223 -0.038 0.000 2.456 1037 L HA -0.012 4.328 4.340 0.000 0.000 0.224 1037 L C 0.911 177.777 176.870 -0.006 0.000 1.148 1037 L CA 0.486 55.314 54.840 -0.021 0.000 0.825 1037 L CB -0.527 41.519 42.059 -0.022 0.000 0.937 1037 L HN 0.476 nan 8.230 nan 0.000 0.450 1038 M N -1.389 118.212 119.600 0.002 0.000 2.811 1038 M HA 0.286 4.766 4.480 0.000 0.000 0.303 1038 M C -0.589 175.726 176.300 0.026 0.000 1.227 1038 M CA -0.915 54.393 55.300 0.013 0.000 0.874 1038 M CB 1.351 33.961 32.600 0.017 0.000 1.681 1038 M HN -0.190 nan 8.290 nan 0.000 0.500 1039 D N 1.984 122.399 120.400 0.025 0.000 2.350 1039 D HA 0.105 4.746 4.640 0.000 0.000 0.249 1039 D C -0.201 176.124 176.300 0.041 0.000 1.119 1039 D CA 0.231 54.248 54.000 0.028 0.000 0.886 1039 D CB 0.527 41.338 40.800 0.018 0.000 1.195 1039 D HN 0.358 nan 8.370 nan 0.000 0.437 1040 K N 0.293 120.720 120.400 0.045 0.000 3.419 1040 K HA -0.111 4.209 4.320 0.000 0.000 0.272 1040 K C -2.385 174.263 176.600 0.081 0.000 0.973 1040 K CA 0.154 56.472 56.287 0.051 0.000 0.749 1040 K CB -1.557 30.961 32.500 0.030 0.000 1.403 1040 K HN 0.458 nan 8.250 nan 0.000 0.456 1041 P HA 0.196 nan 4.420 nan 0.000 0.276 1041 P C -0.297 177.140 177.300 0.227 0.000 1.243 1041 P CA -0.210 63.042 63.100 0.253 0.000 0.768 1041 P CB 1.396 33.293 31.700 0.327 0.000 0.856 1042 V N 4.040 124.020 119.914 0.109 0.000 2.638 1042 V HA 0.271 4.391 4.120 0.000 0.000 0.306 1042 V C -0.113 175.612 176.094 -0.616 0.000 1.052 1042 V CA -1.110 61.057 62.300 -0.222 0.000 0.885 1042 V CB 1.883 33.621 31.823 -0.141 0.000 0.999 1042 V HN 0.488 nan 8.190 nan 0.000 0.424 1043 K N 5.980 125.602 120.400 -1.298 0.000 2.382 1043 K HA 0.237 4.557 4.320 0.000 0.000 0.286 1043 K C 0.299 176.508 176.600 -0.652 0.000 1.062 1043 K CA -0.138 55.212 56.287 -1.562 0.000 1.000 1043 K CB 0.699 32.343 32.500 -1.427 0.000 0.954 1043 K HN 0.787 nan 8.250 nan 0.000 0.470 1044 L N 3.144 124.107 121.223 -0.432 0.000 2.056 1044 L HA 0.165 4.505 4.340 0.000 0.000 0.202 1044 L C 0.888 177.676 176.870 -0.138 0.000 1.086 1044 L CA 0.713 55.436 54.840 -0.194 0.000 0.758 1044 L CB -0.165 41.844 42.059 -0.083 0.000 0.912 1044 L HN 0.712 nan 8.230 nan 0.000 0.446 1045 A N -1.536 121.226 122.820 -0.096 0.000 2.593 1045 A HA 0.685 5.005 4.320 0.000 0.000 0.290 1045 A C -1.042 176.474 177.584 -0.113 0.000 1.126 1045 A CA -0.308 51.679 52.037 -0.083 0.000 0.695 1045 A CB 1.870 20.924 19.000 0.090 0.000 1.290 1045 A HN -0.094 nan 8.150 nan 0.000 0.414 1046 S N 0.462 115.956 115.700 -0.344 0.000 2.609 1046 S HA 0.531 5.001 4.470 0.000 0.000 0.250 1046 S C -1.836 172.481 174.600 -0.472 0.000 1.112 1046 S CA -0.468 57.587 58.200 -0.241 0.000 1.102 1046 S CB 0.031 63.159 63.200 -0.120 0.000 1.124 1046 S HN 0.664 nan 8.310 nan 0.000 0.460 1047 H N 3.440 122.582 119.070 0.120 0.000 2.823 1047 H HA 0.506 5.062 4.556 0.000 0.000 0.332 1047 H C 0.588 175.985 175.328 0.115 0.000 0.980 1047 H CA -0.514 55.607 56.048 0.122 0.000 1.286 1047 H CB 1.481 31.333 29.762 0.150 0.000 1.541 1047 H HN 0.641 nan 8.280 nan 0.000 0.521 1048 R N 0.771 121.345 120.500 0.122 0.000 3.934 1048 R HA -0.230 4.110 4.340 0.000 0.000 0.384 1048 R C 0.632 176.854 176.300 -0.129 0.000 0.241 1048 R CA 1.748 57.835 56.100 -0.022 0.000 1.241 1048 R CB -0.764 29.501 30.300 -0.058 0.000 0.999 1048 R HN 0.590 nan 8.270 nan 0.000 0.562 1049 E N 0.255 120.231 120.200 -0.372 0.000 2.465 1049 E HA 0.161 4.511 4.350 0.000 0.000 0.195 1049 E C -0.413 175.995 176.600 -0.320 0.000 1.028 1049 E CA 0.212 56.404 56.400 -0.346 0.000 0.899 1049 E CB 0.236 29.714 29.700 -0.371 0.000 1.032 1049 E HN 0.198 nan 8.360 nan 0.000 0.468 1050 F N 1.177 121.166 119.950 0.065 0.000 2.329 1050 F HA 0.249 4.776 4.527 0.000 0.000 0.362 1050 F C 0.571 176.419 175.800 0.081 0.000 1.113 1050 F CA -0.517 57.528 58.000 0.074 0.000 1.212 1050 F CB 0.635 39.689 39.000 0.089 0.000 1.509 1050 F HN -0.399 nan 8.300 nan 0.000 0.546 1051 T N 1.837 116.521 114.554 0.217 0.000 2.767 1051 T HA 0.519 4.869 4.350 0.000 0.000 0.284 1051 T C -0.077 174.768 174.700 0.242 0.000 0.973 1051 T CA -0.696 61.521 62.100 0.194 0.000 0.996 1051 T CB 0.928 69.900 68.868 0.174 0.000 0.927 1051 T HN 0.447 nan 8.240 nan 0.000 0.456 1052 S N 2.156 117.998 115.700 0.235 0.000 2.500 1052 S HA 0.762 5.232 4.470 0.000 0.000 0.301 1052 S C -1.522 173.252 174.600 0.289 0.000 1.092 1052 S CA -1.045 57.295 58.200 0.232 0.000 1.030 1052 S CB 1.230 64.510 63.200 0.134 0.000 1.031 1052 S HN 0.663 nan 8.310 nan 0.000 0.483 1053 W N 1.153 122.461 121.300 0.013 0.000 2.936 1053 W HA 0.652 5.312 4.660 0.000 0.000 0.338 1053 W C 0.098 176.617 176.519 -0.000 0.000 1.121 1053 W CA -0.804 56.544 57.345 0.004 0.000 1.209 1053 W CB 1.862 31.323 29.460 0.001 0.000 1.420 1053 W HN 0.775 nan 8.180 nan 0.000 0.516 1054 R N 1.769 122.372 120.500 0.171 0.000 2.664 1054 R HA 0.918 5.259 4.340 0.000 0.000 0.286 1054 R C -0.667 175.708 176.300 0.124 0.000 0.967 1054 R CA -0.311 55.852 56.100 0.105 0.000 0.933 1054 R CB 1.567 31.888 30.300 0.034 0.000 1.146 1054 R HN 0.640 nan 8.270 nan 0.000 0.468 1055 A N 2.494 125.366 122.820 0.087 0.000 2.535 1055 A HA 0.538 4.858 4.320 0.000 0.000 0.296 1055 A C -1.521 176.086 177.584 0.038 0.000 1.248 1055 A CA -0.719 51.363 52.037 0.075 0.000 0.686 1055 A CB 1.640 20.692 19.000 0.087 0.000 1.315 1055 A HN 0.725 nan 8.150 nan 0.000 0.460 1056 E N -0.916 119.303 120.200 0.031 0.000 2.293 1056 E HA 0.602 4.952 4.350 0.000 0.000 0.270 1056 E C -2.188 174.419 176.600 0.011 0.000 0.879 1056 E CA -0.627 55.783 56.400 0.016 0.000 0.756 1056 E CB 2.413 32.122 29.700 0.014 0.000 1.208 1056 E HN 0.383 nan 8.360 nan 0.000 0.428 1057 L N 3.366 124.591 121.223 0.003 0.000 2.528 1057 L HA 0.289 4.629 4.340 0.000 0.000 0.267 1057 L C -1.148 175.720 176.870 -0.004 0.000 0.961 1057 L CA -0.056 54.784 54.840 -0.001 0.000 0.866 1057 L CB 1.433 43.489 42.059 -0.004 0.000 1.248 1057 L HN 0.554 nan 8.230 nan 0.000 0.404 1058 D N 4.027 124.426 120.400 -0.003 0.000 2.882 1058 D HA -0.203 4.437 4.640 0.000 0.000 0.229 1058 D C 1.131 177.429 176.300 -0.003 0.000 1.167 1058 D CA 1.804 55.802 54.000 -0.004 0.000 0.759 1058 D CB -1.031 39.765 40.800 -0.006 0.000 1.088 1058 D HN 1.229 nan 8.370 nan 0.000 0.425 1059 G N -1.011 107.788 108.800 -0.002 0.000 2.175 1059 G HA2 -0.325 3.635 3.960 0.000 0.000 0.244 1059 G HA3 -0.325 3.635 3.960 0.000 0.000 0.244 1059 G C 0.224 175.122 174.900 -0.003 0.000 0.982 1059 G CA 0.436 45.535 45.100 -0.002 0.000 0.641 1059 G HN 0.446 nan 8.290 nan 0.000 0.527 1060 K N 0.689 121.086 120.400 -0.005 0.000 2.182 1060 K HA 0.709 5.029 4.320 0.000 0.000 0.262 1060 K C 0.486 177.081 176.600 -0.007 0.000 0.957 1060 K CA -0.079 56.203 56.287 -0.008 0.000 0.842 1060 K CB 1.919 34.411 32.500 -0.013 0.000 1.099 1060 K HN 0.469 nan 8.250 nan 0.000 0.438 1061 A N 2.358 125.172 122.820 -0.009 0.000 2.477 1061 A HA 0.339 4.659 4.320 0.000 0.000 0.246 1061 A C -0.220 177.356 177.584 -0.014 0.000 1.078 1061 A CA -0.194 51.839 52.037 -0.007 0.000 0.770 1061 A CB 0.223 19.218 19.000 -0.008 0.000 1.011 1061 A HN 0.418 nan 8.150 nan 0.000 0.494 1062 V N 3.781 123.693 119.914 -0.004 0.000 2.876 1062 V HA 0.438 4.558 4.120 0.000 0.000 0.312 1062 V C -0.430 175.668 176.094 0.007 0.000 1.085 1062 V CA -0.703 61.590 62.300 -0.011 0.000 0.945 1062 V CB 1.839 33.658 31.823 -0.007 0.000 1.017 1062 V HN 0.738 nan 8.190 nan 0.000 0.428 1063 I N 3.219 123.785 120.570 -0.007 0.000 2.525 1063 I HA 0.590 4.760 4.170 0.000 0.000 0.301 1063 I C -0.415 175.725 176.117 0.037 0.000 0.992 1063 I CA -0.704 60.610 61.300 0.022 0.000 1.162 1063 I CB 1.988 39.988 38.000 -0.000 0.000 1.332 1063 I HN 0.290 nan 8.210 nan 0.000 0.458 1064 V N 4.533 124.499 119.914 0.087 0.000 2.443 1064 V HA 0.425 4.545 4.120 0.000 0.000 0.293 1064 V C -0.564 175.604 176.094 0.122 0.000 1.021 1064 V CA -0.466 61.884 62.300 0.084 0.000 0.848 1064 V CB 2.084 33.947 31.823 0.067 0.000 0.998 1064 V HN 0.908 nan 8.190 nan 0.000 0.424 1065 C N 4.741 124.108 119.300 0.111 0.000 2.608 1065 C HA 0.741 5.201 4.460 0.000 0.000 0.325 1065 C C 0.528 175.604 174.990 0.144 0.000 1.147 1065 C CA -0.342 58.762 59.018 0.143 0.000 1.359 1065 C CB 1.450 29.270 27.740 0.133 0.000 1.912 1065 C HN 1.031 nan 8.230 nan 0.000 0.466 1066 S N 3.006 118.804 115.700 0.164 0.000 2.592 1066 S HA 0.401 4.872 4.470 0.000 0.000 0.271 1066 S C 0.911 175.651 174.600 0.233 0.000 1.326 1066 S CA 0.325 58.611 58.200 0.143 0.000 1.024 1066 S CB 1.370 64.622 63.200 0.087 0.000 0.921 1066 S HN 1.009 nan 8.310 nan 0.000 0.527 1067 T N -1.522 113.131 114.554 0.164 0.000 3.023 1067 T HA 0.531 4.881 4.350 0.000 0.000 0.249 1067 T C 1.184 175.972 174.700 0.146 0.000 1.050 1067 T CA 0.407 62.633 62.100 0.210 0.000 1.088 1067 T CB -0.866 68.065 68.868 0.105 0.000 0.946 1067 T HN 1.917 nan 8.240 nan 0.000 0.480 1068 G N 1.424 110.224 108.800 -0.001 0.000 2.698 1068 G HA2 -0.072 3.888 3.960 0.000 0.000 0.225 1068 G HA3 -0.072 3.888 3.960 0.000 0.000 0.225 1068 G C -0.729 174.150 174.900 -0.035 0.000 1.345 1068 G CA -0.507 44.540 45.100 -0.088 0.000 0.871 1068 G HN 0.644 nan 8.290 nan 0.000 0.540 1069 I N 1.953 122.494 120.570 -0.048 0.000 2.396 1069 I HA 0.571 4.741 4.170 0.000 0.000 0.292 1069 I C 1.086 177.199 176.117 -0.006 0.000 0.999 1069 I CA 0.679 61.965 61.300 -0.023 0.000 1.310 1069 I CB 0.967 38.947 38.000 -0.034 0.000 1.404 1069 I HN 2.143 nan 8.210 nan 0.000 0.496 1070 G N 3.716 112.520 108.800 0.008 0.000 2.730 1070 G HA2 -0.110 3.850 3.960 0.000 0.000 0.686 1070 G HA3 -0.110 3.850 3.960 0.000 0.000 0.686 1070 G C 0.575 175.486 174.900 0.019 0.000 1.343 1070 G CA -0.407 44.702 45.100 0.016 0.000 0.826 1070 G HN 0.982 nan 8.290 nan 0.000 0.582 1071 G N 0.225 109.040 108.800 0.024 0.000 2.418 1071 G HA2 0.097 4.057 3.960 0.000 0.000 0.217 1071 G HA3 0.097 4.057 3.960 0.000 0.000 0.217 1071 G C 0.153 175.070 174.900 0.029 0.000 1.158 1071 G CA 2.065 47.182 45.100 0.027 0.000 0.771 1071 G HN 0.698 nan 8.290 nan 0.000 0.545 1072 P HA -0.121 nan 4.420 nan 0.000 0.214 1072 P C 2.332 179.650 177.300 0.029 0.000 1.163 1072 P CA 1.877 64.987 63.100 0.016 0.000 0.889 1072 P CB -0.149 31.556 31.700 0.009 0.000 0.790 1073 S N -1.483 114.245 115.700 0.047 0.000 2.353 1073 S HA -0.178 4.292 4.470 0.000 0.000 0.222 1073 S C 1.950 176.637 174.600 0.145 0.000 1.035 1073 S CA 2.314 60.583 58.200 0.115 0.000 1.025 1073 S CB -1.446 61.788 63.200 0.056 0.000 0.902 1073 S HN 0.158 nan 8.310 nan 0.000 0.440 1074 T N 1.786 116.383 114.554 0.071 0.000 2.699 1074 T HA -0.150 4.200 4.350 0.000 0.000 0.268 1074 T C 2.224 176.889 174.700 -0.058 0.000 1.036 1074 T CA 1.854 63.967 62.100 0.021 0.000 1.147 1074 T CB -0.806 68.050 68.868 -0.019 0.000 0.862 1074 T HN 0.729 nan 8.240 nan 0.000 0.446 1075 S N 1.521 117.188 115.700 -0.055 0.000 2.383 1075 S HA -0.095 4.375 4.470 0.000 0.000 0.229 1075 S C 2.085 176.629 174.600 -0.093 0.000 1.030 1075 S CA 0.989 59.138 58.200 -0.086 0.000 1.002 1075 S CB -0.852 62.386 63.200 0.063 0.000 0.829 1075 S HN 0.527 nan 8.310 nan 0.000 0.467 1076 I N 2.319 122.831 120.570 -0.095 0.000 2.142 1076 I HA -0.171 3.999 4.170 0.000 0.000 0.240 1076 I C 3.165 179.069 176.117 -0.356 0.000 1.078 1076 I CA 1.265 62.427 61.300 -0.230 0.000 1.343 1076 I CB -0.827 36.987 38.000 -0.309 0.000 1.046 1076 I HN 0.463 nan 8.210 nan 0.000 0.405 1077 A N 0.405 123.030 122.820 -0.324 0.000 1.883 1077 A HA -0.172 4.148 4.320 0.000 0.000 0.217 1077 A C 2.424 179.899 177.584 -0.182 0.000 1.186 1077 A CA 2.015 53.860 52.037 -0.320 0.000 0.624 1077 A CB -1.030 17.928 19.000 -0.070 0.000 0.822 1077 A HN 0.256 nan 8.150 nan 0.000 0.444 1078 V N -0.026 119.767 119.914 -0.201 0.000 2.307 1078 V HA -0.252 3.868 4.120 0.000 0.000 0.245 1078 V C 2.549 178.533 176.094 -0.183 0.000 1.045 1078 V CA 2.246 64.357 62.300 -0.315 0.000 1.024 1078 V CB -0.727 30.738 31.823 -0.596 0.000 0.651 1078 V HN 0.776 nan 8.190 nan 0.000 0.449 1079 E N 0.209 120.308 120.200 -0.168 0.000 2.058 1079 E HA -0.275 4.075 4.350 0.000 0.000 0.194 1079 E C 2.187 178.756 176.600 -0.052 0.000 0.997 1079 E CA 1.825 58.185 56.400 -0.067 0.000 0.801 1079 E CB -0.072 29.633 29.700 0.008 0.000 0.746 1079 E HN 0.707 nan 8.360 nan 0.000 0.450 1080 E N 0.169 120.265 120.200 -0.173 0.000 2.106 1080 E HA -0.145 4.205 4.350 0.000 0.000 0.192 1080 E C 2.331 178.879 176.600 -0.086 0.000 0.984 1080 E CA 0.795 57.059 56.400 -0.226 0.000 0.806 1080 E CB -0.008 29.408 29.700 -0.473 0.000 0.750 1080 E HN 0.320 nan 8.360 nan 0.000 0.458 1081 L N 0.623 121.835 121.223 -0.019 0.000 2.093 1081 L HA -0.154 4.186 4.340 0.000 0.000 0.208 1081 L C 2.576 179.522 176.870 0.127 0.000 1.085 1081 L CA 0.893 55.777 54.840 0.074 0.000 0.755 1081 L CB -0.434 41.739 42.059 0.190 0.000 0.904 1081 L HN 0.128 nan 8.230 nan 0.000 0.435 1082 A N -0.274 122.674 122.820 0.214 0.000 1.877 1082 A HA -0.272 4.048 4.320 0.000 0.000 0.216 1082 A C 2.227 179.867 177.584 0.094 0.000 1.186 1082 A CA 1.669 53.822 52.037 0.194 0.000 0.620 1082 A CB -0.540 18.564 19.000 0.175 0.000 0.822 1082 A HN 0.467 nan 8.150 nan 0.000 0.443 1083 Q N -1.117 118.726 119.800 0.072 0.000 2.152 1083 Q HA -0.151 4.189 4.340 0.000 0.000 0.206 1083 Q C 1.482 177.508 176.000 0.043 0.000 0.985 1083 Q CA 1.160 57.001 55.803 0.064 0.000 0.863 1083 Q CB -0.258 28.529 28.738 0.081 0.000 0.904 1083 Q HN 0.461 nan 8.270 nan 0.000 0.422 1084 L N -1.147 120.091 121.223 0.026 0.000 2.610 1084 L HA 0.071 4.411 4.340 0.000 0.000 0.232 1084 L C 1.361 178.232 176.870 0.001 0.000 1.149 1084 L CA 1.668 56.514 54.840 0.009 0.000 0.872 1084 L CB -0.327 41.729 42.059 -0.006 0.000 0.992 1084 L HN 0.421 nan 8.230 nan 0.000 0.447 1085 G N -1.389 107.415 108.800 0.008 0.000 2.184 1085 G HA2 -0.196 3.764 3.960 0.000 0.000 0.206 1085 G HA3 -0.196 3.764 3.960 0.000 0.000 0.206 1085 G C 0.393 175.267 174.900 -0.043 0.000 0.995 1085 G CA -0.302 44.794 45.100 -0.007 0.000 0.651 1085 G HN 0.097 nan 8.290 nan 0.000 0.511 1086 I N 0.783 121.307 120.570 -0.077 0.000 2.598 1086 I HA 0.276 4.447 4.170 0.000 0.000 0.284 1086 I C 1.479 177.474 176.117 -0.203 0.000 1.140 1086 I CA 0.579 61.740 61.300 -0.231 0.000 1.420 1086 I CB 0.936 38.674 38.000 -0.437 0.000 1.387 1086 I HN 0.216 nan 8.210 nan 0.000 0.553 1087 R N 2.415 122.785 120.500 -0.217 0.000 2.469 1087 R HA 0.177 4.517 4.340 0.000 0.000 0.250 1087 R C -0.246 176.009 176.300 -0.076 0.000 0.909 1087 R CA 0.252 56.310 56.100 -0.071 0.000 1.050 1087 R CB 0.708 30.993 30.300 -0.026 0.000 1.256 1087 R HN 0.594 nan 8.270 nan 0.000 0.550 1088 T N 0.427 114.825 114.554 -0.260 0.000 2.879 1088 T HA 0.471 4.821 4.350 0.000 0.000 0.290 1088 T C -1.227 173.256 174.700 -0.362 0.000 0.993 1088 T CA -0.376 61.629 62.100 -0.158 0.000 0.975 1088 T CB 1.350 70.166 68.868 -0.087 0.000 0.981 1088 T HN -0.119 nan 8.240 nan 0.000 0.439 1089 F N 2.749 122.693 119.950 -0.011 0.000 2.477 1089 F HA 0.557 5.084 4.527 0.000 0.000 0.335 1089 F C -0.252 175.541 175.800 -0.012 0.000 1.130 1089 F CA -1.011 56.980 58.000 -0.014 0.000 0.948 1089 F CB 1.310 40.297 39.000 -0.023 0.000 1.154 1089 F HN 0.218 nan 8.300 nan 0.000 0.439 1090 L N 4.174 125.472 121.223 0.125 0.000 2.294 1090 L HA 0.537 4.877 4.340 0.000 0.000 0.283 1090 L C -0.138 176.780 176.870 0.079 0.000 1.015 1090 L CA -0.859 54.028 54.840 0.078 0.000 0.831 1090 L CB 1.687 43.763 42.059 0.029 0.000 1.217 1090 L HN 0.518 nan 8.230 nan 0.000 0.420 1091 R N 3.140 123.682 120.500 0.070 0.000 2.340 1091 R HA 0.575 4.915 4.340 0.000 0.000 0.300 1091 R C -0.911 175.408 176.300 0.032 0.000 1.069 1091 R CA -0.196 55.936 56.100 0.052 0.000 0.984 1091 R CB 0.765 31.089 30.300 0.039 0.000 1.003 1091 R HN 0.389 nan 8.270 nan 0.000 0.459 1092 I N 2.578 123.164 120.570 0.026 0.000 2.474 1092 I HA 0.868 5.038 4.170 0.000 0.000 0.294 1092 I C 0.756 176.881 176.117 0.013 0.000 1.005 1092 I CA -0.651 60.659 61.300 0.016 0.000 1.113 1092 I CB 0.862 38.867 38.000 0.008 0.000 1.289 1092 I HN 0.887 nan 8.210 nan 0.000 0.436 1093 G N 1.791 110.599 108.800 0.012 0.000 2.727 1093 G HA2 0.810 4.771 3.960 0.000 0.000 0.289 1093 G HA3 0.810 4.771 3.960 0.000 0.000 0.289 1093 G C -0.713 174.194 174.900 0.012 0.000 1.418 1093 G CA -0.187 44.920 45.100 0.011 0.000 0.818 1093 G HN 0.975 nan 8.290 nan 0.000 0.486 1094 T N -2.478 112.084 114.554 0.013 0.000 2.863 1094 T HA 0.766 5.116 4.350 0.000 0.000 0.285 1094 T C -0.474 174.242 174.700 0.026 0.000 1.009 1094 T CA -0.721 61.389 62.100 0.016 0.000 0.989 1094 T CB 2.135 71.008 68.868 0.008 0.000 1.004 1094 T HN 0.828 nan 8.240 nan 0.000 0.455 1095 T N 0.381 114.952 114.554 0.028 0.000 2.843 1095 T HA 0.715 5.065 4.350 0.000 0.000 0.302 1095 T C -0.090 174.629 174.700 0.031 0.000 1.232 1095 T CA -0.275 61.845 62.100 0.033 0.000 1.009 1095 T CB 1.405 70.288 68.868 0.024 0.000 1.254 1095 T HN 1.127 nan 8.240 nan 0.000 0.504 1096 G N 0.648 109.468 108.800 0.033 0.000 2.437 1096 G HA2 0.703 4.663 3.960 0.000 0.000 0.319 1096 G HA3 0.703 4.663 3.960 0.000 0.000 0.319 1096 G C -0.446 174.462 174.900 0.014 0.000 1.158 1096 G CA -0.177 44.939 45.100 0.027 0.000 0.899 1096 G HN 0.955 nan 8.290 nan 0.000 0.502 1097 A N -0.242 122.580 122.820 0.002 0.000 2.288 1097 A HA 0.704 5.025 4.320 0.000 0.000 0.328 1097 A C 0.296 177.869 177.584 -0.017 0.000 1.123 1097 A CA -0.564 51.457 52.037 -0.026 0.000 0.861 1097 A CB 1.639 20.611 19.000 -0.046 0.000 1.272 1097 A HN 1.017 nan 8.150 nan 0.000 0.490 1098 I N -0.161 120.380 120.570 -0.049 0.000 4.240 1098 I HA 0.175 4.345 4.170 0.000 0.000 0.331 1098 I C -0.128 175.974 176.117 -0.025 0.000 1.381 1098 I CA 0.177 61.456 61.300 -0.035 0.000 1.136 1098 I CB 0.132 38.057 38.000 -0.124 0.000 1.137 1098 I HN 0.709 nan 8.210 nan 0.000 0.411 1099 Q N 0.621 120.396 119.800 -0.042 0.000 2.293 1099 Q HA 0.372 4.712 4.340 0.000 0.000 0.261 1099 Q C -1.878 174.118 176.000 -0.007 0.000 0.960 1099 Q CA -1.975 53.811 55.803 -0.027 0.000 0.882 1099 Q CB 1.527 30.232 28.738 -0.056 0.000 1.275 1099 Q HN 0.091 nan 8.270 nan 0.000 0.445 1100 P HA -0.134 nan 4.420 nan 0.000 0.219 1100 P C 0.724 178.074 177.300 0.083 0.000 1.146 1100 P CA 1.318 64.449 63.100 0.051 0.000 0.808 1100 P CB 0.288 32.027 31.700 0.065 0.000 0.779 1101 H N -1.781 117.265 119.070 -0.040 0.000 2.548 1101 H HA 0.180 4.736 4.556 0.000 0.000 0.265 1101 H C 0.196 175.490 175.328 -0.057 0.000 0.969 1101 H CA -0.092 55.940 56.048 -0.027 0.000 1.155 1101 H CB -0.524 29.231 29.762 -0.012 0.000 1.394 1101 H HN -0.015 nan 8.280 nan 0.000 0.570 1102 I N 1.740 122.256 120.570 -0.090 0.000 2.352 1102 I HA 0.061 4.231 4.170 0.000 0.000 0.290 1102 I C -0.115 175.965 176.117 -0.061 0.000 1.036 1102 I CA -0.201 60.986 61.300 -0.188 0.000 1.336 1102 I CB 0.688 38.502 38.000 -0.311 0.000 1.407 1102 I HN 0.129 nan 8.210 nan 0.000 0.497 1103 N N 4.987 123.686 118.700 -0.002 0.000 2.466 1103 N HA 0.386 5.127 4.740 0.000 0.000 0.294 1103 N C -0.602 174.923 175.510 0.024 0.000 1.129 1103 N CA -0.659 52.391 53.050 0.001 0.000 0.931 1103 N CB 1.968 40.449 38.487 -0.010 0.000 1.193 1103 N HN 0.348 nan 8.380 nan 0.000 0.500 1104 V N -1.029 118.895 119.914 0.016 0.000 2.617 1104 V HA 0.386 4.506 4.120 0.000 0.000 0.304 1104 V C 1.362 177.477 176.094 0.035 0.000 1.040 1104 V CA 0.504 62.819 62.300 0.024 0.000 1.149 1104 V CB -0.034 31.800 31.823 0.018 0.000 0.914 1104 V HN 0.982 nan 8.190 nan 0.000 0.487 1105 G N 2.690 111.518 108.800 0.047 0.000 2.234 1105 G HA2 -0.201 3.759 3.960 0.000 0.000 0.235 1105 G HA3 -0.201 3.759 3.960 0.000 0.000 0.235 1105 G C -0.073 174.871 174.900 0.073 0.000 0.997 1105 G CA 0.169 45.309 45.100 0.067 0.000 0.623 1105 G HN 0.893 nan 8.290 nan 0.000 0.514 1106 D N -0.013 120.434 120.400 0.077 0.000 2.363 1106 D HA 0.522 5.162 4.640 0.000 0.000 0.240 1106 D C 0.515 176.873 176.300 0.095 0.000 1.236 1106 D CA 0.139 54.199 54.000 0.100 0.000 0.927 1106 D CB 1.534 42.464 40.800 0.218 0.000 1.150 1106 D HN 0.260 nan 8.370 nan 0.000 0.458 1107 V N 1.152 121.117 119.914 0.085 0.000 2.604 1107 V HA 0.396 4.516 4.120 0.000 0.000 0.305 1107 V C -0.215 175.935 176.094 0.093 0.000 1.043 1107 V CA -0.782 61.556 62.300 0.065 0.000 0.888 1107 V CB 1.615 33.452 31.823 0.023 0.000 0.995 1107 V HN 0.270 nan 8.190 nan 0.000 0.429 1108 L N 4.691 125.960 121.223 0.077 0.000 2.333 1108 L HA 0.675 5.015 4.340 0.000 0.000 0.280 1108 L C -0.814 176.080 176.870 0.040 0.000 1.004 1108 L CA -0.802 54.084 54.840 0.076 0.000 0.820 1108 L CB 1.945 44.037 42.059 0.055 0.000 1.247 1108 L HN 0.321 nan 8.230 nan 0.000 0.416 1109 V N 1.746 121.682 119.914 0.035 0.000 2.384 1109 V HA 0.303 4.423 4.120 0.000 0.000 0.287 1109 V C 0.218 176.322 176.094 0.017 0.000 1.020 1109 V CA -0.406 61.904 62.300 0.016 0.000 0.850 1109 V CB 1.836 33.660 31.823 0.003 0.000 0.987 1109 V HN 0.733 nan 8.190 nan 0.000 0.436 1110 T N 3.466 118.026 114.554 0.010 0.000 2.749 1110 T HA 0.183 4.533 4.350 0.000 0.000 0.295 1110 T C 1.361 176.067 174.700 0.009 0.000 0.936 1110 T CA 0.279 62.382 62.100 0.004 0.000 1.060 1110 T CB 1.149 70.014 68.868 -0.005 0.000 0.904 1110 T HN 0.981 nan 8.240 nan 0.000 0.500 1111 T N 0.958 115.519 114.554 0.012 0.000 2.896 1111 T HA 0.442 4.792 4.350 0.000 0.000 0.263 1111 T C 0.728 175.436 174.700 0.014 0.000 1.050 1111 T CA 0.338 62.451 62.100 0.022 0.000 1.140 1111 T CB 0.148 69.033 68.868 0.029 0.000 0.877 1111 T HN 0.739 nan 8.240 nan 0.000 0.457 1112 A N -0.189 122.630 122.820 -0.003 0.000 2.586 1112 A HA 0.674 4.994 4.320 0.000 0.000 0.291 1112 A C -1.043 176.521 177.584 -0.032 0.000 1.062 1112 A CA -0.826 51.204 52.037 -0.012 0.000 0.666 1112 A CB 1.249 20.238 19.000 -0.018 0.000 1.281 1112 A HN 0.199 nan 8.150 nan 0.000 0.421 1113 S N -0.289 115.390 115.700 -0.035 0.000 2.513 1113 S HA 0.592 5.062 4.470 0.000 0.000 0.299 1113 S C -0.391 174.159 174.600 -0.084 0.000 1.087 1113 S CA -0.520 57.640 58.200 -0.066 0.000 1.012 1113 S CB 1.677 64.848 63.200 -0.047 0.000 1.044 1113 S HN 0.928 nan 8.310 nan 0.000 0.485 1114 V N 3.632 123.446 119.914 -0.166 0.000 2.521 1114 V HA 0.203 4.323 4.120 0.000 0.000 0.286 1114 V C 0.739 176.753 176.094 -0.134 0.000 1.034 1114 V CA 0.057 62.225 62.300 -0.220 0.000 1.045 1114 V CB -0.024 31.474 31.823 -0.541 0.000 0.974 1114 V HN 0.688 nan 8.190 nan 0.000 0.480 1115 R N 5.319 125.792 120.500 -0.046 0.000 3.235 1115 R HA 0.314 4.654 4.340 0.000 0.000 0.232 1115 R C -0.258 176.079 176.300 0.062 0.000 1.475 1115 R CA -0.176 55.936 56.100 0.021 0.000 1.405 1115 R CB 0.149 30.485 30.300 0.059 0.000 1.266 1115 R HN 0.666 nan 8.270 nan 0.000 0.650 1116 L N 2.220 123.481 121.223 0.063 0.000 3.001 1116 L HA 0.143 4.483 4.340 0.000 0.000 0.234 1116 L C 0.353 177.307 176.870 0.141 0.000 1.321 1116 L CA -0.202 54.736 54.840 0.163 0.000 1.138 1116 L CB -0.649 41.542 42.059 0.218 0.000 1.503 1116 L HN 0.418 nan 8.230 nan 0.000 0.487 1117 D N -1.459 119.010 120.400 0.116 0.000 2.714 1117 D HA 0.339 4.979 4.640 0.000 0.000 0.278 1117 D C 0.560 176.933 176.300 0.123 0.000 1.102 1117 D CA -0.264 53.798 54.000 0.104 0.000 1.108 1117 D CB 1.819 42.666 40.800 0.079 0.000 1.444 1117 D HN -0.059 nan 8.370 nan 0.000 0.568 1118 G N -0.999 107.878 108.800 0.128 0.000 2.768 1118 G HA2 0.264 4.224 3.960 0.000 0.000 0.201 1118 G HA3 0.264 4.224 3.960 0.000 0.000 0.201 1118 G C 1.253 176.296 174.900 0.239 0.000 1.089 1118 G CA 0.651 45.848 45.100 0.163 0.000 0.787 1118 G HN 0.620 nan 8.290 nan 0.000 0.547 1119 A N 1.700 124.640 122.820 0.199 0.000 2.015 1119 A HA 0.038 4.358 4.320 0.000 0.000 0.219 1119 A C 2.643 180.460 177.584 0.389 0.000 1.163 1119 A CA 2.281 54.458 52.037 0.233 0.000 0.646 1119 A CB -0.607 18.471 19.000 0.130 0.000 0.806 1119 A HN 0.710 nan 8.150 nan 0.000 0.448 1120 S N 0.250 116.127 115.700 0.295 0.000 2.399 1120 S HA -0.112 4.358 4.470 0.000 0.000 0.231 1120 S C 1.731 176.502 174.600 0.284 0.000 1.022 1120 S CA 1.408 59.793 58.200 0.307 0.000 0.983 1120 S CB -0.752 62.552 63.200 0.175 0.000 0.803 1120 S HN 0.450 nan 8.310 nan 0.000 0.480 1121 L N 0.537 121.879 121.223 0.197 0.000 2.353 1121 L HA -0.052 4.288 4.340 0.000 0.000 0.220 1121 L C 2.153 178.967 176.870 -0.094 0.000 1.133 1121 L CA 1.141 56.007 54.840 0.044 0.000 0.798 1121 L CB -0.608 41.439 42.059 -0.021 0.000 0.922 1121 L HN 0.390 nan 8.230 nan 0.000 0.445 1122 H N -2.156 116.847 119.070 -0.112 0.000 2.547 1122 H HA 0.008 4.565 4.556 0.000 0.000 0.272 1122 H C 1.342 176.310 175.328 -0.601 0.000 0.989 1122 H CA 1.019 56.840 56.048 -0.378 0.000 1.214 1122 H CB 0.122 29.577 29.762 -0.512 0.000 1.389 1122 H HN 0.236 nan 8.280 nan 0.000 0.577 1123 F N -0.825 119.147 119.950 0.036 0.000 2.602 1123 F HA 0.540 5.068 4.527 0.000 0.000 0.284 1123 F C 0.984 176.695 175.800 -0.148 0.000 1.111 1123 F CA 0.329 58.298 58.000 -0.052 0.000 1.405 1123 F CB 0.766 39.730 39.000 -0.061 0.000 1.121 1123 F HN 0.040 nan 8.300 nan 0.000 0.603 1124 A N 0.021 122.845 122.820 0.008 0.000 2.604 1124 A HA 0.633 4.953 4.320 0.000 0.000 0.295 1124 A C -2.750 174.836 177.584 0.004 0.000 1.067 1124 A CA -1.446 50.528 52.037 -0.105 0.000 0.683 1124 A CB 0.576 19.335 19.000 -0.403 0.000 1.281 1124 A HN -0.192 nan 8.150 nan 0.000 0.407 1125 P HA 0.135 nan 4.420 nan 0.000 0.271 1125 P C 0.833 178.200 177.300 0.111 0.000 1.233 1125 P CA -0.249 62.883 63.100 0.053 0.000 0.789 1125 P CB 0.410 32.140 31.700 0.050 0.000 0.951 1126 M N 1.021 120.673 119.600 0.085 0.000 2.267 1126 M HA -0.175 4.306 4.480 0.000 0.000 0.263 1126 M C 1.494 177.860 176.300 0.110 0.000 1.063 1126 M CA 1.904 57.262 55.300 0.097 0.000 1.090 1126 M CB -1.270 31.372 32.600 0.070 0.000 1.392 1126 M HN 0.289 nan 8.290 nan 0.000 0.422 1127 E N -0.754 119.510 120.200 0.107 0.000 2.153 1127 E HA -0.091 4.259 4.350 0.000 0.000 0.194 1127 E C 0.260 176.929 176.600 0.114 0.000 0.988 1127 E CA 0.670 57.126 56.400 0.093 0.000 0.811 1127 E CB -0.418 29.330 29.700 0.081 0.000 0.746 1127 E HN 0.495 nan 8.360 nan 0.000 0.466 1128 F N 2.324 122.290 119.950 0.027 0.000 2.538 1128 F HA 0.142 4.669 4.527 0.000 0.000 0.371 1128 F C -1.968 173.849 175.800 0.027 0.000 1.087 1128 F CA -2.642 55.376 58.000 0.029 0.000 1.250 1128 F CB 0.548 39.570 39.000 0.037 0.000 1.110 1128 F HN -0.110 nan 8.300 nan 0.000 0.570 1129 P HA 0.178 nan 4.420 nan 0.000 0.280 1129 P C -1.375 175.930 177.300 0.008 0.000 1.244 1129 P CA -0.482 62.519 63.100 -0.164 0.000 0.784 1129 P CB 1.333 32.874 31.700 -0.264 0.000 0.913 1130 A N 3.753 126.615 122.820 0.070 0.000 3.037 1130 A HA 0.292 4.612 4.320 0.000 0.000 0.272 1130 A C 0.175 177.786 177.584 0.045 0.000 1.723 1130 A CA -0.355 51.742 52.037 0.098 0.000 1.413 1130 A CB -0.898 18.142 19.000 0.065 0.000 1.112 1130 A HN 0.455 nan 8.150 nan 0.000 0.606 1131 V N 1.877 121.819 119.914 0.046 0.000 2.532 1131 V HA 0.711 4.831 4.120 0.000 0.000 0.295 1131 V C 0.607 176.731 176.094 0.050 0.000 1.041 1131 V CA -0.199 62.112 62.300 0.020 0.000 0.926 1131 V CB 1.465 33.271 31.823 -0.029 0.000 0.992 1131 V HN 0.915 nan 8.190 nan 0.000 0.457 1132 A N 4.194 127.041 122.820 0.045 0.000 2.304 1132 A HA 0.437 4.757 4.320 0.000 0.000 0.271 1132 A C -0.014 177.617 177.584 0.079 0.000 1.091 1132 A CA -0.291 51.779 52.037 0.055 0.000 0.812 1132 A CB 0.277 19.302 19.000 0.041 0.000 1.056 1132 A HN 1.018 nan 8.150 nan 0.000 0.489 1133 D N 0.040 120.490 120.400 0.083 0.000 2.424 1133 D HA 0.120 4.760 4.640 0.000 0.000 0.244 1133 D C 0.676 177.051 176.300 0.124 0.000 1.134 1133 D CA -0.084 53.981 54.000 0.107 0.000 0.881 1133 D CB 0.181 41.035 40.800 0.091 0.000 1.191 1133 D HN 0.374 nan 8.370 nan 0.000 0.445 1134 F N 4.009 123.969 119.950 0.017 0.000 2.134 1134 F HA -0.109 4.418 4.527 0.000 0.000 0.299 1134 F C 1.979 177.786 175.800 0.011 0.000 1.097 1134 F CA 1.765 59.771 58.000 0.011 0.000 1.264 1134 F CB -0.408 38.597 39.000 0.008 0.000 1.001 1134 F HN 0.485 nan 8.300 nan 0.000 0.479 1135 A N -0.692 122.085 122.820 -0.071 0.000 1.898 1135 A HA -0.171 4.149 4.320 0.000 0.000 0.216 1135 A C 2.368 179.857 177.584 -0.159 0.000 1.181 1135 A CA 1.657 53.596 52.037 -0.164 0.000 0.620 1135 A CB -1.612 17.378 19.000 -0.016 0.000 0.819 1135 A HN 0.548 nan 8.150 nan 0.000 0.442 1136 C N -1.085 118.169 119.300 -0.076 0.000 2.453 1136 C HA -0.070 4.390 4.460 0.000 0.000 0.277 1136 C C 3.049 177.990 174.990 -0.082 0.000 1.262 1136 C CA 1.529 60.515 59.018 -0.053 0.000 1.718 1136 C CB -1.474 26.265 27.740 -0.000 0.000 2.031 1136 C HN 0.641 nan 8.230 nan 0.000 0.480 1137 T N 0.649 115.146 114.554 -0.094 0.000 2.720 1137 T HA -0.177 4.173 4.350 0.000 0.000 0.268 1137 T C 1.773 176.375 174.700 -0.163 0.000 1.037 1137 T CA 2.211 64.254 62.100 -0.096 0.000 1.144 1137 T CB -0.572 68.265 68.868 -0.052 0.000 0.864 1137 T HN 0.597 nan 8.240 nan 0.000 0.444 1138 T N 1.934 116.301 114.554 -0.312 0.000 2.746 1138 T HA -0.035 4.315 4.350 0.000 0.000 0.267 1138 T C 2.410 176.998 174.700 -0.185 0.000 1.039 1138 T CA 1.200 63.103 62.100 -0.328 0.000 1.142 1138 T CB -0.554 67.975 68.868 -0.565 0.000 0.866 1138 T HN 0.450 nan 8.240 nan 0.000 0.444 1139 A N 1.117 123.844 122.820 -0.155 0.000 1.902 1139 A HA 0.029 4.349 4.320 0.000 0.000 0.217 1139 A C 2.312 179.853 177.584 -0.072 0.000 1.181 1139 A CA 1.156 53.135 52.037 -0.097 0.000 0.623 1139 A CB -0.821 18.133 19.000 -0.077 0.000 0.818 1139 A HN 0.465 nan 8.150 nan 0.000 0.443 1140 L N -0.573 120.610 121.223 -0.067 0.000 2.017 1140 L HA -0.168 4.172 4.340 0.000 0.000 0.208 1140 L C 2.546 179.387 176.870 -0.047 0.000 1.073 1140 L CA 1.207 56.020 54.840 -0.045 0.000 0.745 1140 L CB -0.644 41.395 42.059 -0.033 0.000 0.894 1140 L HN 0.244 nan 8.230 nan 0.000 0.432 1141 V N -0.200 119.678 119.914 -0.060 0.000 2.343 1141 V HA -0.283 3.837 4.120 0.000 0.000 0.247 1141 V C 2.355 178.416 176.094 -0.055 0.000 1.051 1141 V CA 1.855 64.122 62.300 -0.055 0.000 1.036 1141 V CB -0.494 31.294 31.823 -0.059 0.000 0.654 1141 V HN 0.453 nan 8.190 nan 0.000 0.451 1142 E N 0.015 120.178 120.200 -0.063 0.000 2.106 1142 E HA -0.128 4.223 4.350 0.000 0.000 0.192 1142 E C 2.304 178.876 176.600 -0.047 0.000 0.984 1142 E CA 1.149 57.517 56.400 -0.054 0.000 0.806 1142 E CB -0.281 29.384 29.700 -0.059 0.000 0.750 1142 E HN 0.605 nan 8.360 nan 0.000 0.458 1143 A N 1.319 124.112 122.820 -0.045 0.000 1.930 1143 A HA -0.039 4.281 4.320 0.000 0.000 0.217 1143 A C 2.344 179.904 177.584 -0.040 0.000 1.175 1143 A CA 1.410 53.424 52.037 -0.038 0.000 0.627 1143 A CB -0.473 18.508 19.000 -0.032 0.000 0.815 1143 A HN 0.284 nan 8.150 nan 0.000 0.443 1144 A N 0.135 122.929 122.820 -0.042 0.000 1.877 1144 A HA -0.168 4.152 4.320 0.000 0.000 0.216 1144 A C 2.124 179.672 177.584 -0.059 0.000 1.186 1144 A CA 1.758 53.767 52.037 -0.048 0.000 0.620 1144 A CB -0.437 18.536 19.000 -0.045 0.000 0.822 1144 A HN 0.485 nan 8.150 nan 0.000 0.443 1145 K N -0.037 120.329 120.400 -0.055 0.000 2.097 1145 K HA -0.059 4.261 4.320 0.000 0.000 0.205 1145 K C 2.260 178.829 176.600 -0.052 0.000 1.050 1145 K CA 1.386 57.640 56.287 -0.055 0.000 0.938 1145 K CB -0.214 32.257 32.500 -0.048 0.000 0.718 1145 K HN 0.432 nan 8.250 nan 0.000 0.442 1146 S N 1.158 116.830 115.700 -0.047 0.000 2.402 1146 S HA -0.040 4.430 4.470 0.000 0.000 0.229 1146 S C 1.748 176.318 174.600 -0.050 0.000 1.021 1146 S CA 0.688 58.862 58.200 -0.043 0.000 0.974 1146 S CB -0.006 63.172 63.200 -0.037 0.000 0.800 1146 S HN 0.178 nan 8.310 nan 0.000 0.484 1147 I N 0.654 121.187 120.570 -0.062 0.000 3.059 1147 I HA 0.064 4.234 4.170 0.000 0.000 0.270 1147 I C 1.854 177.904 176.117 -0.110 0.000 1.238 1147 I CA 0.861 62.110 61.300 -0.085 0.000 1.478 1147 I CB -1.295 36.650 38.000 -0.091 0.000 1.097 1147 I HN 0.451 nan 8.210 nan 0.000 0.455 1148 G N 1.319 110.064 108.800 -0.092 0.000 2.136 1148 G HA2 -0.208 3.752 3.960 0.000 0.000 0.242 1148 G HA3 -0.208 3.752 3.960 0.000 0.000 0.242 1148 G C 0.573 175.408 174.900 -0.109 0.000 0.989 1148 G CA 0.257 45.301 45.100 -0.093 0.000 0.682 1148 G HN 0.648 nan 8.290 nan 0.000 0.522 1149 A N 0.026 122.778 122.820 -0.114 0.000 2.407 1149 A HA 0.670 4.990 4.320 0.000 0.000 0.248 1149 A C 0.821 178.348 177.584 -0.096 0.000 1.082 1149 A CA 0.915 52.888 52.037 -0.106 0.000 0.785 1149 A CB 0.399 19.347 19.000 -0.088 0.000 1.020 1149 A HN 0.798 nan 8.150 nan 0.000 0.489 1150 T N 2.984 117.483 114.554 -0.092 0.000 2.727 1150 T HA 0.418 4.768 4.350 0.000 0.000 0.295 1150 T C 0.075 174.647 174.700 -0.214 0.000 0.915 1150 T CA 0.449 62.466 62.100 -0.139 0.000 1.066 1150 T CB -0.008 68.800 68.868 -0.101 0.000 0.891 1150 T HN 0.635 nan 8.240 nan 0.000 0.516 1151 T N 4.606 118.982 114.554 -0.295 0.000 2.829 1151 T HA 0.404 4.754 4.350 0.000 0.000 0.280 1151 T C -0.577 173.875 174.700 -0.414 0.000 0.999 1151 T CA -0.798 61.154 62.100 -0.247 0.000 0.983 1151 T CB 0.882 69.678 68.868 -0.120 0.000 0.968 1151 T HN 0.528 nan 8.240 nan 0.000 0.446 1152 H N 1.097 120.168 119.070 0.001 0.000 2.529 1152 H HA 0.545 5.101 4.556 0.000 0.000 0.348 1152 H C -1.027 174.301 175.328 0.001 0.000 1.079 1152 H CA -0.567 55.484 56.048 0.006 0.000 1.198 1152 H CB 1.854 31.622 29.762 0.010 0.000 1.521 1152 H HN 0.275 nan 8.280 nan 0.000 0.514 1153 V N 2.476 122.452 119.914 0.103 0.000 2.407 1153 V HA 0.703 4.823 4.120 0.000 0.000 0.291 1153 V C 0.499 176.625 176.094 0.053 0.000 1.018 1153 V CA -0.317 62.018 62.300 0.057 0.000 0.842 1153 V CB 1.267 33.109 31.823 0.032 0.000 0.996 1153 V HN 1.087 nan 8.190 nan 0.000 0.426 1154 G N 3.102 111.923 108.800 0.036 0.000 2.356 1154 G HA2 0.420 4.381 3.960 0.000 0.000 0.281 1154 G HA3 0.420 4.381 3.960 0.000 0.000 0.281 1154 G C -1.375 173.522 174.900 -0.004 0.000 1.246 1154 G CA -0.487 44.624 45.100 0.019 0.000 0.889 1154 G HN 0.453 nan 8.290 nan 0.000 0.486 1155 V N 0.889 120.791 119.914 -0.021 0.000 2.583 1155 V HA 0.559 4.679 4.120 0.000 0.000 0.287 1155 V C 0.425 176.466 176.094 -0.087 0.000 1.051 1155 V CA 0.078 62.347 62.300 -0.051 0.000 1.010 1155 V CB 1.227 33.017 31.823 -0.054 0.000 0.988 1155 V HN 0.737 nan 8.190 nan 0.000 0.478 1156 T N 3.832 118.324 114.554 -0.104 0.000 2.855 1156 T HA 0.648 4.998 4.350 0.000 0.000 0.281 1156 T C -0.012 174.564 174.700 -0.206 0.000 1.007 1156 T CA -0.264 61.754 62.100 -0.137 0.000 1.009 1156 T CB 1.606 70.426 68.868 -0.081 0.000 0.983 1156 T HN 0.911 nan 8.240 nan 0.000 0.455 1157 A N 2.248 124.892 122.820 -0.293 0.000 2.276 1157 A HA 0.631 4.951 4.320 0.000 0.000 0.300 1157 A C 0.295 177.807 177.584 -0.120 0.000 1.235 1157 A CA -0.458 51.369 52.037 -0.351 0.000 0.867 1157 A CB 0.453 19.070 19.000 -0.638 0.000 1.137 1157 A HN 0.628 nan 8.150 nan 0.000 0.527 1158 S N 1.779 117.421 115.700 -0.096 0.000 2.474 1158 S HA 0.567 5.038 4.470 0.000 0.000 0.321 1158 S C -0.199 174.397 174.600 -0.006 0.000 1.080 1158 S CA -0.339 57.844 58.200 -0.027 0.000 1.106 1158 S CB 0.590 63.774 63.200 -0.025 0.000 0.984 1158 S HN 0.983 nan 8.310 nan 0.000 0.464 1159 S N 3.196 118.892 115.700 -0.007 0.000 2.503 1159 S HA 0.365 4.835 4.470 0.000 0.000 0.301 1159 S C 0.347 174.929 174.600 -0.029 0.000 1.087 1159 S CA -0.630 57.547 58.200 -0.039 0.000 1.042 1159 S CB 1.256 64.367 63.200 -0.148 0.000 1.043 1159 S HN 0.713 nan 8.310 nan 0.000 0.489 1160 D N 2.031 122.427 120.400 -0.007 0.000 2.378 1160 D HA 0.084 4.724 4.640 0.000 0.000 0.222 1160 D C 0.711 177.008 176.300 -0.006 0.000 0.980 1160 D CA 0.937 54.944 54.000 0.013 0.000 0.907 1160 D CB 0.138 40.968 40.800 0.049 0.000 0.899 1160 D HN 0.716 nan 8.370 nan 0.000 0.527 1161 T N -4.056 110.458 114.554 -0.065 0.000 2.903 1161 T HA 0.272 4.622 4.350 0.000 0.000 0.299 1161 T C 0.434 175.075 174.700 -0.097 0.000 1.093 1161 T CA -0.886 61.187 62.100 -0.044 0.000 1.002 1161 T CB 1.138 69.973 68.868 -0.056 0.000 1.127 1161 T HN -0.129 nan 8.240 nan 0.000 0.488 1162 F N 0.425 120.257 119.950 -0.197 0.000 2.416 1162 F HA 0.196 4.723 4.527 0.000 0.000 0.296 1162 F C 0.912 176.391 175.800 -0.534 0.000 1.099 1162 F CA 0.762 58.532 58.000 -0.384 0.000 1.427 1162 F CB -0.068 38.656 39.000 -0.459 0.000 1.079 1162 F HN 0.700 nan 8.300 nan 0.000 0.536 1163 Y N 0.439 120.697 120.300 -0.070 0.000 2.382 1163 Y HA 0.165 4.715 4.550 0.000 0.000 0.263 1163 Y C -0.505 175.224 175.900 -0.285 0.000 1.103 1163 Y CA 0.354 58.370 58.100 -0.140 0.000 1.223 1163 Y CB -1.811 36.656 38.460 0.011 0.000 1.124 1163 Y HN -0.221 nan 8.280 nan 0.000 0.501 1164 P HA -0.050 nan 4.420 nan 0.000 0.221 1164 P C 1.443 178.453 177.300 -0.483 0.000 1.150 1164 P CA 2.008 64.982 63.100 -0.209 0.000 0.800 1164 P CB -0.158 31.494 31.700 -0.081 0.000 0.787 1165 G N 0.051 108.440 108.800 -0.686 0.000 2.534 1165 G HA2 -0.180 3.780 3.960 0.000 0.000 0.217 1165 G HA3 -0.180 3.780 3.960 0.000 0.000 0.217 1165 G C 1.362 175.772 174.900 -0.817 0.000 1.128 1165 G CA 0.227 44.613 45.100 -1.190 0.000 0.784 1165 G HN 0.352 nan 8.290 nan 0.000 0.542 1166 Q N -0.446 118.879 119.800 -0.791 0.000 2.204 1166 Q HA 0.181 4.521 4.340 0.000 0.000 0.209 1166 Q C 0.064 175.686 176.000 -0.631 0.000 0.861 1166 Q CA -0.235 54.861 55.803 -1.178 0.000 0.971 1166 Q CB 0.425 28.418 28.738 -1.242 0.000 1.095 1166 Q HN 0.621 nan 8.270 nan 0.000 0.486 1167 E N 1.824 121.792 120.200 -0.387 0.000 2.238 1167 E HA -0.237 4.113 4.350 0.000 0.000 0.219 1167 E C -0.983 175.396 176.600 -0.369 0.000 1.275 1167 E CA 0.111 56.338 56.400 -0.288 0.000 0.714 1167 E CB -0.350 29.325 29.700 -0.042 0.000 1.154 1167 E HN 0.330 nan 8.360 nan 0.000 0.363 1168 R N 0.231 120.517 120.500 -0.355 0.000 2.308 1168 R HA 0.188 4.528 4.340 0.000 0.000 0.305 1168 R C 0.271 176.407 176.300 -0.273 0.000 1.053 1168 R CA -0.128 55.851 56.100 -0.201 0.000 0.957 1168 R CB 0.460 30.733 30.300 -0.044 0.000 1.022 1168 R HN 0.241 nan 8.270 nan 0.000 0.461 1169 Y N -0.256 120.079 120.300 0.057 0.000 2.442 1169 Y HA 0.077 4.627 4.550 0.000 0.000 0.250 1169 Y C 0.303 176.230 175.900 0.045 0.000 1.113 1169 Y CA -0.171 57.955 58.100 0.044 0.000 1.273 1169 Y CB 0.751 39.228 38.460 0.028 0.000 1.138 1169 Y HN 0.443 nan 8.280 nan 0.000 0.522 1170 D N 1.631 122.145 120.400 0.191 0.000 2.713 1170 D HA 0.083 4.723 4.640 0.000 0.000 0.229 1170 D C 0.408 176.774 176.300 0.110 0.000 1.136 1170 D CA 0.326 54.411 54.000 0.142 0.000 1.010 1170 D CB -0.092 40.790 40.800 0.138 0.000 1.084 1170 D HN 0.254 nan 8.370 nan 0.000 0.495 1171 T N -3.328 111.263 114.554 0.061 0.000 2.858 1171 T HA 0.158 4.508 4.350 0.000 0.000 0.285 1171 T C 1.085 175.795 174.700 0.018 0.000 1.052 1171 T CA -0.803 61.285 62.100 -0.020 0.000 1.009 1171 T CB 1.158 69.990 68.868 -0.061 0.000 1.241 1171 T HN 0.029 nan 8.240 nan 0.000 0.542 1172 Y N 1.679 121.918 120.300 -0.101 0.000 2.128 1172 Y HA -0.133 4.417 4.550 0.000 0.000 0.284 1172 Y C 2.697 178.582 175.900 -0.025 0.000 1.154 1172 Y CA 2.691 60.755 58.100 -0.060 0.000 1.149 1172 Y CB -0.735 37.681 38.460 -0.074 0.000 0.976 1172 Y HN 0.738 nan 8.280 nan 0.000 0.505 1173 S N -1.267 114.277 115.700 -0.260 0.000 2.458 1173 S HA 0.197 4.667 4.470 0.000 0.000 0.223 1173 S C 1.871 176.377 174.600 -0.155 0.000 1.019 1173 S CA 0.526 58.525 58.200 -0.335 0.000 0.937 1173 S CB -0.550 62.571 63.200 -0.131 0.000 0.788 1173 S HN 1.028 nan 8.310 nan 0.000 0.511 1174 G N 2.062 110.834 108.800 -0.047 0.000 2.168 1174 G HA2 -0.322 3.638 3.960 0.000 0.000 0.257 1174 G HA3 -0.322 3.638 3.960 0.000 0.000 0.257 1174 G C -0.001 174.996 174.900 0.163 0.000 0.997 1174 G CA 0.470 45.609 45.100 0.064 0.000 0.708 1174 G HN 1.028 nan 8.290 nan 0.000 0.520 1175 R N -1.416 119.147 120.500 0.105 0.000 2.750 1175 R HA 0.816 5.157 4.340 0.000 0.000 0.281 1175 R C -0.432 175.918 176.300 0.082 0.000 0.972 1175 R CA -0.497 55.690 56.100 0.144 0.000 0.912 1175 R CB 2.427 32.774 30.300 0.077 0.000 1.187 1175 R HN 0.969 nan 8.270 nan 0.000 0.464 1176 V N 0.464 120.449 119.914 0.119 0.000 2.656 1176 V HA 0.531 4.651 4.120 0.000 0.000 0.307 1176 V C -0.131 176.033 176.094 0.118 0.000 1.051 1176 V CA -1.018 61.313 62.300 0.052 0.000 0.893 1176 V CB 1.675 33.439 31.823 -0.100 0.000 0.999 1176 V HN 0.714 nan 8.190 nan 0.000 0.426 1177 V N 6.600 126.592 119.914 0.130 0.000 2.872 1177 V HA 0.159 4.279 4.120 0.000 0.000 0.307 1177 V C 2.123 178.275 176.094 0.097 0.000 1.072 1177 V CA 0.950 63.319 62.300 0.114 0.000 1.148 1177 V CB 0.921 32.822 31.823 0.130 0.000 0.954 1177 V HN 1.210 nan 8.190 nan 0.000 0.490 1178 R N 4.447 124.976 120.500 0.049 0.000 2.133 1178 R HA -0.252 4.088 4.340 0.000 0.000 0.247 1178 R C 2.070 178.345 176.300 -0.041 0.000 1.151 1178 R CA 2.418 58.528 56.100 0.016 0.000 0.971 1178 R CB -0.676 29.624 30.300 0.000 0.000 0.866 1178 R HN 0.763 nan 8.270 nan 0.000 0.447 1179 R N 0.190 120.623 120.500 -0.113 0.000 2.119 1179 R HA -0.169 4.171 4.340 0.000 0.000 0.246 1179 R C 1.009 177.050 176.300 -0.432 0.000 1.146 1179 R CA 2.115 58.022 56.100 -0.322 0.000 0.962 1179 R CB -0.307 29.702 30.300 -0.485 0.000 0.863 1179 R HN 0.415 nan 8.270 nan 0.000 0.442 1180 F N 0.161 120.132 119.950 0.035 0.000 2.727 1180 F HA 0.293 4.820 4.527 0.000 0.000 0.302 1180 F C 0.405 176.215 175.800 0.017 0.000 1.097 1180 F CA -0.313 57.708 58.000 0.034 0.000 1.330 1180 F CB 0.146 39.168 39.000 0.036 0.000 1.084 1180 F HN -0.138 nan 8.300 nan 0.000 0.578 1181 K N 0.671 121.155 120.400 0.141 0.000 2.412 1181 K HA 0.389 4.709 4.320 0.000 0.000 0.284 1181 K C 1.150 177.795 176.600 0.075 0.000 1.046 1181 K CA 0.956 57.328 56.287 0.142 0.000 0.999 1181 K CB 0.047 32.621 32.500 0.123 0.000 0.941 1181 K HN 0.327 nan 8.250 nan 0.000 0.474 1182 G N 2.467 111.325 108.800 0.097 0.000 2.179 1182 G HA2 -0.358 3.602 3.960 0.000 0.000 0.260 1182 G HA3 -0.358 3.602 3.960 0.000 0.000 0.260 1182 G C 0.949 175.811 174.900 -0.063 0.000 0.977 1182 G CA 0.887 45.999 45.100 0.021 0.000 0.641 1182 G HN 0.794 nan 8.290 nan 0.000 0.533 1183 S N -0.550 115.121 115.700 -0.047 0.000 2.383 1183 S HA 0.046 4.516 4.470 0.000 0.000 0.227 1183 S C 2.264 176.677 174.600 -0.312 0.000 1.026 1183 S CA 1.673 59.728 58.200 -0.241 0.000 0.981 1183 S CB -0.275 62.978 63.200 0.090 0.000 0.818 1183 S HN 0.601 nan 8.310 nan 0.000 0.472 1184 M N 1.456 121.095 119.600 0.065 0.000 2.086 1184 M HA -0.115 4.365 4.480 0.000 0.000 0.261 1184 M C 2.272 178.608 176.300 0.060 0.000 1.067 1184 M CA 1.843 57.267 55.300 0.208 0.000 1.116 1184 M CB -0.343 32.432 32.600 0.292 0.000 1.348 1184 M HN 0.390 nan 8.290 nan 0.000 0.407 1185 E N -0.155 120.050 120.200 0.009 0.000 2.118 1185 E HA -0.242 4.108 4.350 0.000 0.000 0.195 1185 E C 1.914 178.469 176.600 -0.075 0.000 0.992 1185 E CA 1.330 57.719 56.400 -0.017 0.000 0.804 1185 E CB -0.154 29.536 29.700 -0.017 0.000 0.741 1185 E HN 0.614 nan 8.360 nan 0.000 0.458 1186 E N -0.043 120.033 120.200 -0.207 0.000 2.017 1186 E HA -0.182 4.168 4.350 0.000 0.000 0.193 1186 E C 1.936 178.436 176.600 -0.166 0.000 0.997 1186 E CA 1.199 57.420 56.400 -0.297 0.000 0.804 1186 E CB -0.174 29.183 29.700 -0.572 0.000 0.757 1186 E HN 0.403 nan 8.360 nan 0.000 0.448 1187 W N 1.324 122.631 121.300 0.011 0.000 2.335 1187 W HA -0.220 4.440 4.660 0.000 0.000 0.311 1187 W C 2.557 179.040 176.519 -0.060 0.000 1.213 1187 W CA 0.382 57.704 57.345 -0.039 0.000 1.274 1187 W CB -0.376 29.025 29.460 -0.098 0.000 1.148 1187 W HN 0.164 nan 8.180 nan 0.000 0.498 1188 Q N 0.464 120.350 119.800 0.145 0.000 2.077 1188 Q HA -0.237 4.104 4.340 0.000 0.000 0.206 1188 Q C 2.488 178.514 176.000 0.044 0.000 0.989 1188 Q CA 1.965 57.806 55.803 0.063 0.000 0.853 1188 Q CB -0.714 28.048 28.738 0.041 0.000 0.907 1188 Q HN 0.377 nan 8.270 nan 0.000 0.418 1189 A N 0.361 123.200 122.820 0.033 0.000 2.015 1189 A HA -0.099 4.221 4.320 0.000 0.000 0.219 1189 A C 1.846 179.451 177.584 0.035 0.000 1.163 1189 A CA 1.080 53.128 52.037 0.018 0.000 0.646 1189 A CB -0.303 18.695 19.000 -0.004 0.000 0.806 1189 A HN 0.307 nan 8.150 nan 0.000 0.448 1190 M N -1.403 118.242 119.600 0.074 0.000 2.561 1190 M HA 0.179 4.659 4.480 0.000 0.000 0.238 1190 M C 1.274 177.616 176.300 0.070 0.000 1.131 1190 M CA 0.775 56.130 55.300 0.092 0.000 1.046 1190 M CB 0.302 33.006 32.600 0.173 0.000 1.532 1190 M HN 0.593 nan 8.290 nan 0.000 0.497 1191 G N 0.836 109.667 108.800 0.052 0.000 2.132 1191 G HA2 -0.190 3.770 3.960 0.000 0.000 0.234 1191 G HA3 -0.190 3.770 3.960 0.000 0.000 0.234 1191 G C 0.008 174.911 174.900 0.005 0.000 0.989 1191 G CA -0.320 44.793 45.100 0.023 0.000 0.676 1191 G HN 0.293 nan 8.290 nan 0.000 0.522 1192 V N 1.582 121.503 119.914 0.011 0.000 2.655 1192 V HA 0.243 4.363 4.120 0.000 0.000 0.300 1192 V C 1.817 177.856 176.094 -0.093 0.000 1.044 1192 V CA 0.970 63.235 62.300 -0.058 0.000 1.095 1192 V CB 1.291 33.054 31.823 -0.099 0.000 0.952 1192 V HN 0.397 nan 8.190 nan 0.000 0.485 1193 M N 3.100 122.633 119.600 -0.111 0.000 2.325 1193 M HA 0.121 4.601 4.480 0.000 0.000 0.265 1193 M C 0.645 176.865 176.300 -0.134 0.000 1.094 1193 M CA 0.989 56.225 55.300 -0.108 0.000 1.161 1193 M CB 0.057 32.611 32.600 -0.076 0.000 1.358 1193 M HN 0.949 nan 8.290 nan 0.000 0.446 1194 N N -1.634 116.960 118.700 -0.177 0.000 3.046 1194 N HA 0.173 4.913 4.740 0.000 0.000 0.243 1194 N C -2.003 173.362 175.510 -0.240 0.000 1.452 1194 N CA -0.638 52.313 53.050 -0.165 0.000 0.882 1194 N CB 1.222 39.668 38.487 -0.069 0.000 1.425 1194 N HN -0.100 nan 8.380 nan 0.000 0.517 1195 Y N -0.283 119.962 120.300 -0.092 0.000 2.409 1195 Y HA 0.490 5.040 4.550 0.000 0.000 0.339 1195 Y C 0.403 176.241 175.900 -0.103 0.000 1.033 1195 Y CA -0.144 57.881 58.100 -0.125 0.000 1.094 1195 Y CB 1.612 39.974 38.460 -0.162 0.000 1.210 1195 Y HN 0.809 nan 8.280 nan 0.000 0.456 1196 E N -0.120 120.131 120.200 0.084 0.000 2.368 1196 E HA 0.530 4.880 4.350 0.000 0.000 0.257 1196 E C -1.003 175.610 176.600 0.022 0.000 1.022 1196 E CA -0.732 55.692 56.400 0.040 0.000 0.886 1196 E CB 1.161 30.877 29.700 0.026 0.000 1.740 1196 E HN 0.450 nan 8.360 nan 0.000 0.456 1197 M N -0.743 118.869 119.600 0.020 0.000 2.268 1197 M HA 0.334 4.814 4.480 0.000 0.000 0.355 1197 M C -0.009 176.298 176.300 0.012 0.000 0.938 1197 M CA 0.196 55.504 55.300 0.014 0.000 1.025 1197 M CB 0.776 33.391 32.600 0.026 0.000 1.773 1197 M HN 0.483 nan 8.290 nan 0.000 0.613 1198 E N -0.383 119.822 120.200 0.008 0.000 2.474 1198 E HA 0.074 4.424 4.350 0.000 0.000 0.215 1198 E C 1.850 178.442 176.600 -0.012 0.000 0.867 1198 E CA 0.633 57.033 56.400 0.000 0.000 1.135 1198 E CB 0.407 30.108 29.700 0.002 0.000 1.147 1198 E HN 0.310 nan 8.360 nan 0.000 0.534 1199 S N 0.731 116.425 115.700 -0.011 0.000 2.402 1199 S HA -0.037 4.433 4.470 0.000 0.000 0.229 1199 S C 2.215 176.805 174.600 -0.016 0.000 1.021 1199 S CA 0.863 59.052 58.200 -0.017 0.000 0.974 1199 S CB -0.188 63.004 63.200 -0.014 0.000 0.800 1199 S HN 0.210 nan 8.310 nan 0.000 0.484 1200 A N 1.714 124.531 122.820 -0.004 0.000 1.908 1200 A HA -0.057 4.263 4.320 0.000 0.000 0.218 1200 A C 2.429 180.022 177.584 0.015 0.000 1.181 1200 A CA 2.237 54.283 52.037 0.015 0.000 0.627 1200 A CB -1.716 17.301 19.000 0.028 0.000 0.818 1200 A HN 0.581 nan 8.150 nan 0.000 0.445 1201 T N -0.072 114.482 114.554 -0.001 0.000 2.701 1201 T HA -0.114 4.236 4.350 0.000 0.000 0.263 1201 T C 1.880 176.492 174.700 -0.146 0.000 1.040 1201 T CA 1.472 63.548 62.100 -0.039 0.000 1.147 1201 T CB -0.445 68.409 68.868 -0.023 0.000 0.865 1201 T HN 0.363 nan 8.240 nan 0.000 0.426 1202 L N 1.131 122.272 121.223 -0.136 0.000 1.990 1202 L HA -0.062 4.278 4.340 0.000 0.000 0.213 1202 L C 2.175 178.948 176.870 -0.161 0.000 1.072 1202 L CA 1.801 56.526 54.840 -0.193 0.000 0.755 1202 L CB -0.712 41.269 42.059 -0.131 0.000 0.889 1202 L HN 0.258 nan 8.230 nan 0.000 0.432 1203 L N -1.479 119.702 121.223 -0.070 0.000 2.109 1203 L HA -0.140 4.200 4.340 0.000 0.000 0.207 1203 L C 2.344 179.228 176.870 0.024 0.000 1.086 1203 L CA 1.509 56.341 54.840 -0.013 0.000 0.760 1203 L CB -1.146 40.924 42.059 0.019 0.000 0.910 1203 L HN 0.293 nan 8.230 nan 0.000 0.437 1204 T N 0.789 115.358 114.554 0.026 0.000 2.777 1204 T HA -0.188 4.162 4.350 0.000 0.000 0.266 1204 T C 1.894 176.560 174.700 -0.057 0.000 1.040 1204 T CA 1.843 63.992 62.100 0.082 0.000 1.141 1204 T CB -0.213 68.724 68.868 0.116 0.000 0.868 1204 T HN 0.427 nan 8.240 nan 0.000 0.444 1205 M N 0.268 119.727 119.600 -0.234 0.000 2.175 1205 M HA -0.005 4.475 4.480 0.000 0.000 0.264 1205 M C 2.282 178.423 176.300 -0.265 0.000 1.063 1205 M CA 1.473 56.505 55.300 -0.446 0.000 1.119 1205 M CB -1.206 30.737 32.600 -1.095 0.000 1.377 1205 M HN 0.171 nan 8.290 nan 0.000 0.415 1206 C N 1.439 120.621 119.300 -0.197 0.000 2.466 1206 C HA 0.121 4.581 4.460 0.000 0.000 0.278 1206 C C 3.313 178.313 174.990 0.018 0.000 1.288 1206 C CA 1.045 60.012 59.018 -0.085 0.000 1.722 1206 C CB -1.184 26.521 27.740 -0.058 0.000 2.017 1206 C HN 0.763 nan 8.230 nan 0.000 0.488 1207 A N 1.135 123.999 122.820 0.074 0.000 1.969 1207 A HA -0.123 4.197 4.320 0.000 0.000 0.218 1207 A C 2.198 179.896 177.584 0.190 0.000 1.169 1207 A CA 2.113 54.267 52.037 0.195 0.000 0.635 1207 A CB -0.615 18.598 19.000 0.354 0.000 0.810 1207 A HN 0.701 nan 8.150 nan 0.000 0.445 1208 S N -1.474 114.215 115.700 -0.017 0.000 2.558 1208 S HA 0.068 4.538 4.470 0.000 0.000 0.217 1208 S C 1.131 175.694 174.600 -0.061 0.000 0.975 1208 S CA 0.507 58.589 58.200 -0.197 0.000 0.912 1208 S CB -0.001 62.895 63.200 -0.507 0.000 0.776 1208 S HN 0.655 nan 8.310 nan 0.000 0.526 1209 Q N 0.427 120.220 119.800 -0.012 0.000 2.135 1209 Q HA 0.369 4.709 4.340 0.000 0.000 0.222 1209 Q C 0.644 176.668 176.000 0.040 0.000 0.808 1209 Q CA 0.019 55.831 55.803 0.014 0.000 1.049 1209 Q CB 0.913 29.655 28.738 0.006 0.000 1.168 1209 Q HN 0.635 nan 8.270 nan 0.000 0.483 1210 G N 1.438 110.272 108.800 0.055 0.000 2.198 1210 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 1210 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 1210 G C -0.102 174.844 174.900 0.075 0.000 1.025 1210 G CA 0.308 45.447 45.100 0.066 0.000 0.769 1210 G HN 0.275 nan 8.290 nan 0.000 0.507 1211 L N -0.962 120.313 121.223 0.086 0.000 2.322 1211 L HA 0.696 5.036 4.340 0.000 0.000 0.269 1211 L C 0.876 177.825 176.870 0.131 0.000 1.012 1211 L CA -1.238 53.678 54.840 0.127 0.000 0.815 1211 L CB 1.450 43.620 42.059 0.184 0.000 1.295 1211 L HN 0.054 nan 8.230 nan 0.000 0.438 1212 R N 1.292 121.881 120.500 0.147 0.000 2.407 1212 R HA 0.802 5.142 4.340 0.000 0.000 0.303 1212 R C -0.857 175.544 176.300 0.169 0.000 0.981 1212 R CA -0.554 55.621 56.100 0.125 0.000 0.905 1212 R CB 1.785 32.134 30.300 0.082 0.000 1.099 1212 R HN 0.714 nan 8.270 nan 0.000 0.459 1213 A N 1.310 124.207 122.820 0.127 0.000 2.515 1213 A HA 0.841 5.161 4.320 0.000 0.000 0.298 1213 A C -0.837 176.793 177.584 0.075 0.000 1.059 1213 A CA -0.623 51.489 52.037 0.127 0.000 0.698 1213 A CB 2.266 21.321 19.000 0.093 0.000 1.289 1213 A HN 0.772 nan 8.150 nan 0.000 0.404 1214 G N -0.387 108.453 108.800 0.066 0.000 2.725 1214 G HA2 0.693 4.653 3.960 0.000 0.000 0.288 1214 G HA3 0.693 4.653 3.960 0.000 0.000 0.288 1214 G C -1.209 173.711 174.900 0.034 0.000 1.399 1214 G CA -0.417 44.706 45.100 0.037 0.000 0.859 1214 G HN 1.174 nan 8.290 nan 0.000 0.479 1215 M N 1.013 120.625 119.600 0.020 0.000 2.322 1215 M HA 0.646 5.127 4.480 0.000 0.000 0.286 1215 M C -1.944 174.364 176.300 0.012 0.000 1.111 1215 M CA -0.767 54.544 55.300 0.018 0.000 0.941 1215 M CB 2.230 34.839 32.600 0.014 0.000 1.671 1215 M HN 0.646 nan 8.290 nan 0.000 0.470 1216 V N 3.951 123.873 119.914 0.013 0.000 2.864 1216 V HA 1.052 5.172 4.120 0.000 0.000 0.314 1216 V C -1.397 174.707 176.094 0.017 0.000 1.073 1216 V CA -0.043 62.265 62.300 0.013 0.000 0.956 1216 V CB 2.008 33.836 31.823 0.009 0.000 1.023 1216 V HN 1.060 nan 8.190 nan 0.000 0.435 1217 A N 3.451 126.284 122.820 0.021 0.000 2.574 1217 A HA 0.863 5.183 4.320 0.000 0.000 0.297 1217 A C -0.298 177.305 177.584 0.032 0.000 1.062 1217 A CA -0.112 51.938 52.037 0.023 0.000 0.686 1217 A CB 1.724 20.736 19.000 0.020 0.000 1.285 1217 A HN 1.536 nan 8.150 nan 0.000 0.403 1218 G N 0.131 108.949 108.800 0.031 0.000 2.356 1218 G HA2 0.527 4.487 3.960 0.000 0.000 0.298 1218 G HA3 0.527 4.487 3.960 0.000 0.000 0.298 1218 G C -0.488 174.434 174.900 0.036 0.000 1.145 1218 G CA -0.353 44.771 45.100 0.040 0.000 0.850 1218 G HN 0.935 nan 8.290 nan 0.000 0.487 1219 V N 3.325 123.265 119.914 0.044 0.000 2.455 1219 V HA 0.132 4.252 4.120 0.000 0.000 0.273 1219 V C 1.188 177.300 176.094 0.029 0.000 1.045 1219 V CA 0.034 62.355 62.300 0.035 0.000 0.976 1219 V CB 0.770 32.616 31.823 0.038 0.000 0.993 1219 V HN 0.772 nan 8.190 nan 0.000 0.475 1220 I N 3.397 123.982 120.570 0.024 0.000 4.139 1220 I HA 0.563 4.733 4.170 0.000 0.000 0.335 1220 I C 0.208 176.337 176.117 0.021 0.000 1.327 1220 I CA 0.257 61.568 61.300 0.019 0.000 1.112 1220 I CB 0.994 39.003 38.000 0.014 0.000 1.058 1220 I HN 0.414 nan 8.210 nan 0.000 0.396 1221 V N 0.836 120.764 119.914 0.023 0.000 3.225 1221 V HA 0.511 4.631 4.120 0.000 0.000 0.293 1221 V C -2.048 174.059 176.094 0.021 0.000 1.405 1221 V CA -0.560 61.755 62.300 0.024 0.000 1.038 1221 V CB 2.424 34.267 31.823 0.032 0.000 1.123 1221 V HN 0.365 nan 8.190 nan 0.000 0.447 1222 N N 3.075 121.787 118.700 0.021 0.000 2.558 1222 N HA 0.379 5.119 4.740 0.000 0.000 0.285 1222 N C 0.408 175.934 175.510 0.026 0.000 1.112 1222 N CA -0.474 52.587 53.050 0.018 0.000 0.857 1222 N CB 1.968 40.460 38.487 0.009 0.000 1.376 1222 N HN 0.746 nan 8.380 nan 0.000 0.526 1223 R N 0.986 121.505 120.500 0.032 0.000 2.159 1223 R HA -0.093 4.247 4.340 0.000 0.000 0.237 1223 R C 1.182 177.507 176.300 0.041 0.000 1.131 1223 R CA 2.071 58.195 56.100 0.040 0.000 0.982 1223 R CB 0.055 30.383 30.300 0.047 0.000 0.868 1223 R HN 0.663 nan 8.270 nan 0.000 0.453 1224 T N -2.529 112.047 114.554 0.037 0.000 3.129 1224 T HA 0.076 4.426 4.350 0.000 0.000 0.251 1224 T C 0.535 175.253 174.700 0.030 0.000 1.117 1224 T CA -0.013 62.109 62.100 0.036 0.000 1.034 1224 T CB 0.235 69.124 68.868 0.034 0.000 0.968 1224 T HN 0.172 nan 8.240 nan 0.000 0.526 1225 Q N 0.611 120.427 119.800 0.026 0.000 2.266 1225 Q HA 0.369 4.709 4.340 0.000 0.000 0.261 1225 Q C 0.856 176.870 176.000 0.023 0.000 0.985 1225 Q CA -0.591 55.226 55.803 0.022 0.000 0.873 1225 Q CB 2.225 30.973 28.738 0.016 0.000 1.306 1225 Q HN 0.284 nan 8.270 nan 0.000 0.447 1226 Q N 1.528 121.341 119.800 0.021 0.000 2.096 1226 Q HA -0.075 4.265 4.340 0.000 0.000 0.197 1226 Q C 0.031 176.042 176.000 0.019 0.000 0.964 1226 Q CA 0.667 56.483 55.803 0.021 0.000 0.838 1226 Q CB 0.403 29.152 28.738 0.019 0.000 0.906 1226 Q HN 0.629 nan 8.270 nan 0.000 0.444 1227 E N 1.399 121.608 120.200 0.016 0.000 2.414 1227 E HA 0.027 4.377 4.350 0.000 0.000 0.263 1227 E C -0.210 176.399 176.600 0.015 0.000 1.000 1227 E CA -0.225 56.184 56.400 0.014 0.000 0.914 1227 E CB 0.385 30.092 29.700 0.011 0.000 0.948 1227 E HN 0.390 nan 8.360 nan 0.000 0.444 1228 I N 1.495 122.074 120.570 0.015 0.000 2.677 1228 I HA 0.508 4.678 4.170 0.000 0.000 0.305 1228 I C -2.250 173.875 176.117 0.014 0.000 0.988 1228 I CA -2.587 58.723 61.300 0.017 0.000 1.260 1228 I CB 0.873 38.884 38.000 0.018 0.000 1.410 1228 I HN 0.338 nan 8.210 nan 0.000 0.523 1229 P HA 0.215 nan 4.420 nan 0.000 0.275 1229 P C -1.054 176.251 177.300 0.008 0.000 1.228 1229 P CA -0.362 62.744 63.100 0.011 0.000 0.786 1229 P CB 0.364 32.071 31.700 0.013 0.000 0.927 1230 N N 0.911 119.615 118.700 0.006 0.000 2.415 1230 N HA 0.060 4.800 4.740 0.000 0.000 0.248 1230 N C 1.214 176.723 175.510 -0.001 0.000 1.271 1230 N CA -0.065 52.986 53.050 0.002 0.000 0.913 1230 N CB 0.687 39.175 38.487 0.002 0.000 1.129 1230 N HN 0.410 nan 8.380 nan 0.000 0.444 1231 A N 1.219 124.036 122.820 -0.004 0.000 1.873 1231 A HA -0.182 4.138 4.320 0.000 0.000 0.215 1231 A C 2.014 179.589 177.584 -0.015 0.000 1.186 1231 A CA 1.489 53.521 52.037 -0.008 0.000 0.616 1231 A CB -0.428 18.567 19.000 -0.007 0.000 0.823 1231 A HN 0.736 nan 8.150 nan 0.000 0.442 1232 E N -0.228 119.962 120.200 -0.016 0.000 2.216 1232 E HA -0.082 4.268 4.350 0.000 0.000 0.192 1232 E C 2.070 178.650 176.600 -0.032 0.000 0.988 1232 E CA 1.569 57.954 56.400 -0.025 0.000 0.834 1232 E CB -0.409 29.278 29.700 -0.021 0.000 0.772 1232 E HN 0.699 nan 8.360 nan 0.000 0.479 1233 T N -1.574 112.967 114.554 -0.020 0.000 2.915 1233 T HA -0.128 4.222 4.350 0.000 0.000 0.269 1233 T C 1.901 176.586 174.700 -0.025 0.000 1.071 1233 T CA 1.199 63.288 62.100 -0.017 0.000 1.132 1233 T CB -0.221 68.647 68.868 0.001 0.000 0.878 1233 T HN 0.100 nan 8.240 nan 0.000 0.479 1234 M N 0.545 120.132 119.600 -0.022 0.000 2.200 1234 M HA 0.070 4.550 4.480 0.000 0.000 0.265 1234 M C 2.490 178.764 176.300 -0.043 0.000 1.066 1234 M CA 1.455 56.742 55.300 -0.023 0.000 1.127 1234 M CB -0.279 32.313 32.600 -0.013 0.000 1.379 1234 M HN 0.198 nan 8.290 nan 0.000 0.420 1235 K N -0.350 120.018 120.400 -0.054 0.000 2.228 1235 K HA -0.124 4.196 4.320 0.000 0.000 0.202 1235 K C 2.017 178.545 176.600 -0.121 0.000 1.051 1235 K CA 0.835 57.078 56.287 -0.073 0.000 0.960 1235 K CB 0.044 32.507 32.500 -0.061 0.000 0.743 1235 K HN 0.119 nan 8.250 nan 0.000 0.458 1236 Q N 0.229 119.941 119.800 -0.147 0.000 2.187 1236 Q HA -0.032 4.308 4.340 0.000 0.000 0.199 1236 Q C 1.578 177.322 176.000 -0.427 0.000 0.957 1236 Q CA 1.500 57.129 55.803 -0.290 0.000 0.857 1236 Q CB 0.113 28.724 28.738 -0.213 0.000 0.929 1236 Q HN 0.142 nan 8.270 nan 0.000 0.453 1237 T N 0.088 114.537 114.554 -0.175 0.000 2.867 1237 T HA -0.130 4.220 4.350 0.000 0.000 0.268 1237 T C 1.428 176.094 174.700 -0.057 0.000 1.057 1237 T CA 1.301 63.366 62.100 -0.057 0.000 1.136 1237 T CB -0.114 68.759 68.868 0.009 0.000 0.874 1237 T HN 0.419 nan 8.240 nan 0.000 0.466 1238 E N 1.149 121.299 120.200 -0.082 0.000 2.072 1238 E HA -0.139 4.211 4.350 0.000 0.000 0.191 1238 E C 2.396 178.954 176.600 -0.070 0.000 0.985 1238 E CA 1.335 57.700 56.400 -0.059 0.000 0.801 1238 E CB -0.020 29.646 29.700 -0.058 0.000 0.750 1238 E HN 0.591 nan 8.360 nan 0.000 0.452 1239 S N -0.708 114.911 115.700 -0.134 0.000 2.383 1239 S HA -0.181 4.289 4.470 0.000 0.000 0.227 1239 S C 1.712 176.290 174.600 -0.036 0.000 1.026 1239 S CA 1.251 59.382 58.200 -0.116 0.000 0.981 1239 S CB -0.649 62.455 63.200 -0.160 0.000 0.818 1239 S HN 0.454 nan 8.310 nan 0.000 0.472 1240 H N 1.721 120.780 119.070 -0.018 0.000 2.321 1240 H HA 0.133 4.689 4.556 0.000 0.000 0.300 1240 H C 2.701 178.019 175.328 -0.017 0.000 1.087 1240 H CA 0.938 56.976 56.048 -0.017 0.000 1.319 1240 H CB -0.349 29.404 29.762 -0.014 0.000 1.379 1240 H HN 0.581 nan 8.280 nan 0.000 0.501 1241 A N 0.742 123.626 122.820 0.107 0.000 1.917 1241 A HA -0.180 4.140 4.320 0.000 0.000 0.219 1241 A C 2.610 180.211 177.584 0.028 0.000 1.182 1241 A CA 1.788 53.856 52.037 0.052 0.000 0.633 1241 A CB -0.948 18.071 19.000 0.031 0.000 0.819 1241 A HN 0.230 nan 8.150 nan 0.000 0.448 1242 V N -0.077 119.846 119.914 0.014 0.000 2.343 1242 V HA -0.283 3.837 4.120 0.000 0.000 0.247 1242 V C 2.534 178.631 176.094 0.004 0.000 1.051 1242 V CA 2.446 64.744 62.300 -0.003 0.000 1.036 1242 V CB -0.619 31.189 31.823 -0.024 0.000 0.654 1242 V HN 0.647 nan 8.190 nan 0.000 0.451 1243 K N -0.273 120.141 120.400 0.022 0.000 2.032 1243 K HA -0.194 4.126 4.320 0.000 0.000 0.209 1243 K C 2.074 178.681 176.600 0.011 0.000 1.048 1243 K CA 1.730 58.031 56.287 0.023 0.000 0.927 1243 K CB -0.172 32.360 32.500 0.054 0.000 0.712 1243 K HN 0.299 nan 8.250 nan 0.000 0.441 1244 I N 0.719 121.298 120.570 0.016 0.000 2.127 1244 I HA -0.250 3.920 4.170 0.000 0.000 0.241 1244 I C 2.437 178.551 176.117 -0.005 0.000 1.075 1244 I CA 1.151 62.451 61.300 0.001 0.000 1.334 1244 I CB -1.342 36.660 38.000 0.003 0.000 1.040 1244 I HN 0.076 nan 8.210 nan 0.000 0.405 1245 V N 0.558 120.471 119.914 -0.001 0.000 2.407 1245 V HA -0.201 3.919 4.120 0.000 0.000 0.248 1245 V C 2.611 178.699 176.094 -0.009 0.000 1.055 1245 V CA 1.373 63.671 62.300 -0.004 0.000 1.049 1245 V CB -0.004 31.819 31.823 0.001 0.000 0.662 1245 V HN 0.184 nan 8.190 nan 0.000 0.455 1246 V N -0.160 119.749 119.914 -0.009 0.000 2.307 1246 V HA -0.161 3.959 4.120 0.000 0.000 0.245 1246 V C 2.616 178.702 176.094 -0.013 0.000 1.045 1246 V CA 2.051 64.345 62.300 -0.011 0.000 1.024 1246 V CB -0.685 31.132 31.823 -0.010 0.000 0.651 1246 V HN 0.532 nan 8.190 nan 0.000 0.449 1247 E N 0.277 120.470 120.200 -0.013 0.000 2.150 1247 E HA -0.121 4.229 4.350 0.000 0.000 0.193 1247 E C 2.304 178.891 176.600 -0.022 0.000 0.985 1247 E CA 1.362 57.752 56.400 -0.016 0.000 0.814 1247 E CB -0.550 29.140 29.700 -0.017 0.000 0.752 1247 E HN 0.569 nan 8.360 nan 0.000 0.466 1248 A N 1.466 124.272 122.820 -0.022 0.000 1.877 1248 A HA -0.086 4.234 4.320 0.000 0.000 0.216 1248 A C 2.435 180.002 177.584 -0.028 0.000 1.186 1248 A CA 2.053 54.073 52.037 -0.029 0.000 0.620 1248 A CB -0.651 18.333 19.000 -0.027 0.000 0.822 1248 A HN 0.266 nan 8.150 nan 0.000 0.443 1249 A N -0.418 122.388 122.820 -0.023 0.000 1.940 1249 A HA -0.205 4.115 4.320 0.000 0.000 0.219 1249 A C 2.236 179.805 177.584 -0.025 0.000 1.176 1249 A CA 1.782 53.804 52.037 -0.025 0.000 0.631 1249 A CB -0.538 18.449 19.000 -0.022 0.000 0.814 1249 A HN 0.554 nan 8.150 nan 0.000 0.446 1250 R N -0.309 120.178 120.500 -0.021 0.000 2.105 1250 R HA -0.131 4.209 4.340 0.000 0.000 0.239 1250 R C 1.979 178.267 176.300 -0.021 0.000 1.135 1250 R CA 1.674 57.762 56.100 -0.019 0.000 0.967 1250 R CB -0.160 30.130 30.300 -0.016 0.000 0.861 1250 R HN 0.540 nan 8.270 nan 0.000 0.442 1251 R N -0.350 120.135 120.500 -0.025 0.000 2.299 1251 R HA 0.059 4.399 4.340 0.000 0.000 0.197 1251 R C 1.309 177.592 176.300 -0.028 0.000 0.971 1251 R CA 0.441 56.524 56.100 -0.028 0.000 1.030 1251 R CB 0.257 30.535 30.300 -0.036 0.000 0.932 1251 R HN 0.240 nan 8.270 nan 0.000 0.477 1252 L N 0.056 121.262 121.223 -0.028 0.000 2.766 1252 L HA 0.254 4.594 4.340 0.000 0.000 0.242 1252 L C 0.346 177.201 176.870 -0.025 0.000 1.136 1252 L CA -0.206 54.618 54.840 -0.027 0.000 0.933 1252 L CB 0.333 42.374 42.059 -0.031 0.000 1.241 1252 L HN 0.049 nan 8.230 nan 0.000 0.522 1253 L N 0.000 121.209 121.223 -0.024 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.023 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502