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 1m0w_1_B DATA FIRST_RESID 1005 DATA SEQUENCE PPSKDQLNEL IQEVNQWAIT NGLSMYPPKF EENPSNASVS PVTIYPTPIP DATA SEQUENCE RKCFDEAVQI QPVFNELYAR ITQDMAQPDS YLHKTTEALA LSDSEFTGKL DATA SEQUENCE WSLYLATLKS AQYKKQNFRL GIFRSDYLID KKKGTEQIKQ VEFNTVSVSF DATA SEQUENCE AGLSEKVDRL HSYLNRANKY DPKGPIYNDQ NMVISDSGYL LSKALAKAVE DATA SEQUENCE SYKSQQXXXX XXDPIVAFIV QRNERNVFDQ KVLELNLLEK FGTKSVRLTF DATA SEQUENCE DDVNDKLFID DKTGKLFIRD TEQEIAVVYY RTGYTTTDYT SEKDWEARLF DATA SEQUENCE LEKSFAIKAP DLLTQLSGSK KIQQLLTDEG VLGKYISDAE KKSSLLKTFV DATA SEQUENCE KIYPLDDTKL GREGKRLALS EPSKYVLKPQ REXXGNNVYK ENIPNFLKGI DATA SEQUENCE EERHWDAYIL MELIEPELNE NNIILRDNKS YNEPIISELG IYGCVLFNDE DATA SEQUENCE QVLSNEFSGS LLRSKFNTSN EGGVAAGFGC LDSIILY 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 1005 P HA 0.000 nan 4.420 nan 0.000 0.216 1005 P C 0.000 177.278 177.300 -0.037 0.000 1.155 1005 P CA 0.000 63.045 63.100 -0.091 0.000 0.800 1005 P CB 0.000 31.656 31.700 -0.073 0.000 0.726 1006 P HA 0.443 nan 4.420 nan 0.000 0.271 1006 P C -0.153 177.161 177.300 0.024 0.000 1.216 1006 P CA -0.479 62.651 63.100 0.050 0.000 0.771 1006 P CB 0.572 32.345 31.700 0.122 0.000 0.864 1007 S N 0.760 116.471 115.700 0.018 0.000 2.614 1007 S HA 0.419 4.885 4.470 -0.007 0.000 0.265 1007 S C 1.573 176.181 174.600 0.012 0.000 1.303 1007 S CA -0.041 58.164 58.200 0.008 0.000 1.000 1007 S CB 0.856 64.058 63.200 0.004 0.000 0.935 1007 S HN 0.527 nan 8.310 nan 0.000 0.551 1008 K N 1.139 121.542 120.400 0.005 0.000 2.034 1008 K HA -0.213 4.103 4.320 -0.007 0.000 0.214 1008 K C 1.595 178.201 176.600 0.009 0.000 1.051 1008 K CA 2.566 58.855 56.287 0.004 0.000 0.931 1008 K CB -2.026 30.473 32.500 -0.002 0.000 0.715 1008 K HN 0.825 nan 8.250 nan 0.000 0.446 1009 D N -0.580 119.825 120.400 0.008 0.000 2.117 1009 D HA -0.036 4.599 4.640 -0.007 0.000 0.197 1009 D C 2.778 179.088 176.300 0.016 0.000 0.987 1009 D CA 2.160 56.166 54.000 0.010 0.000 0.829 1009 D CB -0.219 40.585 40.800 0.007 0.000 0.961 1009 D HN 0.651 nan 8.370 nan 0.000 0.460 1010 Q N 0.230 120.042 119.800 0.020 0.000 2.084 1010 Q HA -0.059 4.277 4.340 -0.007 0.000 0.202 1010 Q C 2.127 178.151 176.000 0.040 0.000 0.978 1010 Q CA 1.440 57.261 55.803 0.031 0.000 0.844 1010 Q CB -1.027 27.733 28.738 0.037 0.000 0.898 1010 Q HN 0.360 nan 8.270 nan 0.000 0.426 1011 L N 0.796 122.044 121.223 0.041 0.000 2.056 1011 L HA -0.045 4.291 4.340 -0.007 0.000 0.207 1011 L C 1.812 178.699 176.870 0.028 0.000 1.078 1011 L CA 2.283 57.150 54.840 0.045 0.000 0.749 1011 L CB -0.495 41.591 42.059 0.045 0.000 0.901 1011 L HN 0.426 nan 8.230 nan 0.000 0.433 1012 N N -0.545 118.167 118.700 0.020 0.000 2.223 1012 N HA -0.167 4.568 4.740 -0.007 0.000 0.185 1012 N C 1.813 177.334 175.510 0.017 0.000 1.016 1012 N CA 1.279 54.338 53.050 0.015 0.000 0.863 1012 N CB -0.098 38.395 38.487 0.010 0.000 0.983 1012 N HN 0.369 nan 8.380 nan 0.000 0.429 1013 E N -0.001 120.210 120.200 0.018 0.000 2.072 1013 E HA -0.033 4.312 4.350 -0.007 0.000 0.190 1013 E C 1.927 178.538 176.600 0.018 0.000 0.982 1013 E CA 0.331 56.742 56.400 0.018 0.000 0.803 1013 E CB -0.595 29.116 29.700 0.017 0.000 0.755 1013 E HN 0.303 nan 8.360 nan 0.000 0.453 1014 L N 0.594 121.827 121.223 0.015 0.000 2.083 1014 L HA -0.011 4.324 4.340 -0.007 0.000 0.209 1014 L C 2.181 179.052 176.870 0.001 0.000 1.083 1014 L CA 1.562 56.401 54.840 -0.001 0.000 0.752 1014 L CB -0.485 41.576 42.059 0.003 0.000 0.899 1014 L HN 0.222 nan 8.230 nan 0.000 0.433 1015 I N -1.039 119.539 120.570 0.014 0.000 2.226 1015 I HA -0.277 3.889 4.170 -0.007 0.000 0.245 1015 I C 2.279 178.415 176.117 0.033 0.000 1.100 1015 I CA 0.805 62.120 61.300 0.025 0.000 1.374 1015 I CB -0.311 37.705 38.000 0.028 0.000 1.057 1015 I HN 0.338 nan 8.210 nan 0.000 0.413 1016 Q N 0.293 120.111 119.800 0.030 0.000 2.230 1016 Q HA -0.136 4.199 4.340 -0.007 0.000 0.202 1016 Q C 2.045 178.074 176.000 0.049 0.000 0.963 1016 Q CA 1.020 56.844 55.803 0.035 0.000 0.866 1016 Q CB -0.265 28.489 28.738 0.028 0.000 0.931 1016 Q HN 0.445 nan 8.270 nan 0.000 0.452 1017 E N 0.092 120.321 120.200 0.049 0.000 2.077 1017 E HA -0.100 4.245 4.350 -0.007 0.000 0.193 1017 E C 2.142 178.805 176.600 0.105 0.000 0.989 1017 E CA 0.743 57.190 56.400 0.078 0.000 0.800 1017 E CB -0.036 29.695 29.700 0.050 0.000 0.746 1017 E HN 0.127 nan 8.360 nan 0.000 0.452 1018 V N 2.386 122.340 119.914 0.067 0.000 2.295 1018 V HA -0.256 3.860 4.120 -0.007 0.000 0.246 1018 V C 2.051 178.217 176.094 0.120 0.000 1.049 1018 V CA 1.702 64.054 62.300 0.086 0.000 1.024 1018 V CB -0.566 31.289 31.823 0.054 0.000 0.648 1018 V HN 0.203 nan 8.190 nan 0.000 0.447 1019 N N 0.160 118.909 118.700 0.082 0.000 2.069 1019 N HA -0.219 4.517 4.740 -0.007 0.000 0.191 1019 N C 1.937 177.484 175.510 0.061 0.000 1.031 1019 N CA 1.695 54.784 53.050 0.065 0.000 0.852 1019 N CB -0.378 38.135 38.487 0.043 0.000 1.018 1019 N HN 0.610 nan 8.380 nan 0.000 0.423 1020 Q N -0.967 118.872 119.800 0.066 0.000 2.050 1020 Q HA -0.147 4.189 4.340 -0.007 0.000 0.202 1020 Q C 1.962 177.986 176.000 0.041 0.000 0.980 1020 Q CA 1.270 57.096 55.803 0.038 0.000 0.840 1020 Q CB -0.263 28.500 28.738 0.041 0.000 0.898 1020 Q HN 0.486 nan 8.270 nan 0.000 0.424 1021 W N 0.927 122.174 121.300 -0.090 0.000 2.381 1021 W HA -0.165 4.492 4.660 -0.005 0.000 0.301 1021 W C 2.302 178.743 176.519 -0.130 0.000 1.205 1021 W CA 1.722 58.974 57.345 -0.154 0.000 1.285 1021 W CB -0.173 29.184 29.460 -0.172 0.000 1.133 1021 W HN 0.125 nan 8.180 nan 0.000 0.521 1022 A N 0.385 123.405 122.820 0.332 0.000 1.877 1022 A HA -0.212 4.103 4.320 -0.007 0.000 0.216 1022 A C 1.942 179.494 177.584 -0.054 0.000 1.186 1022 A CA 2.093 54.255 52.037 0.209 0.000 0.620 1022 A CB -1.060 18.042 19.000 0.169 0.000 0.822 1022 A HN 0.378 nan 8.150 nan 0.000 0.443 1023 I N -0.477 120.048 120.570 -0.076 0.000 2.226 1023 I HA -0.211 3.955 4.170 -0.007 0.000 0.245 1023 I C 2.473 178.457 176.117 -0.222 0.000 1.100 1023 I CA 1.709 62.921 61.300 -0.147 0.000 1.374 1023 I CB -0.589 37.346 38.000 -0.108 0.000 1.057 1023 I HN 0.243 nan 8.210 nan 0.000 0.413 1024 T N 0.431 114.829 114.554 -0.261 0.000 2.881 1024 T HA -0.145 4.201 4.350 -0.007 0.000 0.270 1024 T C 1.283 175.724 174.700 -0.432 0.000 1.068 1024 T CA 1.479 63.379 62.100 -0.333 0.000 1.131 1024 T CB -0.358 68.281 68.868 -0.381 0.000 0.871 1024 T HN 0.362 nan 8.240 nan 0.000 0.479 1025 N N -0.360 118.010 118.700 -0.550 0.000 2.205 1025 N HA 0.339 5.075 4.740 -0.007 0.000 0.201 1025 N C 1.062 176.384 175.510 -0.314 0.000 1.128 1025 N CA 0.346 53.055 53.050 -0.567 0.000 0.867 1025 N CB 0.725 38.553 38.487 -1.099 0.000 0.996 1025 N HN 0.353 nan 8.380 nan 0.000 0.503 1026 G N 0.941 109.582 108.800 -0.266 0.000 2.147 1026 G HA2 -0.260 3.696 3.960 -0.007 0.000 0.244 1026 G HA3 -0.260 3.696 3.960 -0.007 0.000 0.244 1026 G C -0.145 174.680 174.900 -0.125 0.000 1.005 1026 G CA -0.149 44.814 45.100 -0.228 0.000 0.713 1026 G HN 0.293 nan 8.290 nan 0.000 0.515 1027 L N 2.055 123.240 121.223 -0.064 0.000 2.384 1027 L HA 0.694 5.029 4.340 -0.007 0.000 0.258 1027 L C 0.218 177.090 176.870 0.002 0.000 1.266 1027 L CA -0.257 54.608 54.840 0.042 0.000 1.162 1027 L CB -0.365 41.788 42.059 0.157 0.000 1.375 1027 L HN 0.196 nan 8.230 nan 0.000 0.420 1028 S N 3.479 119.167 115.700 -0.021 0.000 2.661 1028 S HA 0.845 5.310 4.470 -0.007 0.000 0.285 1028 S C -0.887 173.800 174.600 0.146 0.000 1.138 1028 S CA -0.751 57.413 58.200 -0.060 0.000 0.855 1028 S CB 2.207 65.170 63.200 -0.396 0.000 1.136 1028 S HN 0.518 nan 8.310 nan 0.000 0.484 1029 M N 0.992 120.674 119.600 0.137 0.000 2.520 1029 M HA 0.509 4.984 4.480 -0.007 0.000 0.283 1029 M C -2.211 174.194 176.300 0.175 0.000 1.237 1029 M CA -0.376 55.046 55.300 0.202 0.000 0.885 1029 M CB 1.517 34.203 32.600 0.144 0.000 1.727 1029 M HN 0.755 nan 8.290 nan 0.000 0.468 1030 Y N 3.696 124.039 120.300 0.072 0.000 2.336 1030 Y HA 0.423 4.968 4.550 -0.008 0.000 0.331 1030 Y C -2.004 173.918 175.900 0.036 0.000 1.211 1030 Y CA -1.429 56.634 58.100 -0.061 0.000 1.346 1030 Y CB 0.730 38.743 38.460 -0.746 0.000 1.271 1030 Y HN 0.425 nan 8.280 nan 0.000 0.538 1031 P HA 0.230 nan 4.420 nan 0.000 0.281 1031 P C -2.780 174.687 177.300 0.279 0.000 1.281 1031 P CA -2.227 61.010 63.100 0.228 0.000 0.811 1031 P CB 0.714 32.521 31.700 0.179 0.000 1.154 1032 P HA 0.068 nan 4.420 nan 0.000 0.267 1032 P C 0.326 177.692 177.300 0.111 0.000 1.200 1032 P CA 1.280 64.471 63.100 0.151 0.000 0.772 1032 P CB -0.503 31.246 31.700 0.081 0.000 0.855 1033 K N 1.199 121.609 120.400 0.017 0.000 3.209 1033 K HA -0.253 4.062 4.320 -0.007 0.000 0.289 1033 K C 0.820 177.326 176.600 -0.156 0.000 1.191 1033 K CA 1.925 58.144 56.287 -0.114 0.000 0.851 1033 K CB -3.222 29.245 32.500 -0.054 0.000 1.242 1033 K HN 0.672 nan 8.250 nan 0.000 0.480 1034 F N 0.214 120.107 119.950 -0.095 0.000 2.333 1034 F HA 0.094 4.616 4.527 -0.008 0.000 0.300 1034 F C 1.636 177.290 175.800 -0.244 0.000 1.083 1034 F CA 1.234 59.129 58.000 -0.174 0.000 1.395 1034 F CB -0.119 38.683 39.000 -0.331 0.000 1.056 1034 F HN 0.364 nan 8.300 nan 0.000 0.529 1035 E N 1.239 120.722 120.200 -1.195 0.000 2.219 1035 E HA -0.217 4.129 4.350 -0.007 0.000 0.198 1035 E C 1.823 178.214 176.600 -0.348 0.000 0.998 1035 E CA 1.752 57.651 56.400 -0.836 0.000 0.818 1035 E CB -0.613 28.673 29.700 -0.691 0.000 0.741 1035 E HN 0.665 nan 8.360 nan 0.000 0.477 1036 E N -0.196 119.858 120.200 -0.243 0.000 2.268 1036 E HA -0.072 4.274 4.350 -0.007 0.000 0.195 1036 E C 0.208 176.770 176.600 -0.064 0.000 0.995 1036 E CA 0.634 56.961 56.400 -0.122 0.000 0.836 1036 E CB 0.046 29.695 29.700 -0.084 0.000 0.763 1036 E HN 0.029 nan 8.360 nan 0.000 0.491 1037 N N -0.680 117.995 118.700 -0.041 0.000 3.112 1037 N HA 0.063 4.799 4.740 -0.007 0.000 0.231 1037 N C -2.727 172.830 175.510 0.079 0.000 1.385 1037 N CA -1.171 51.891 53.050 0.021 0.000 0.790 1037 N CB 0.955 39.464 38.487 0.037 0.000 1.563 1037 N HN -0.248 nan 8.380 nan 0.000 0.613 1038 P HA 0.102 nan 4.420 nan 0.000 0.253 1038 P C 0.574 178.077 177.300 0.338 0.000 1.281 1038 P CA 0.370 63.568 63.100 0.164 0.000 0.792 1038 P CB -0.025 31.748 31.700 0.121 0.000 1.193 1039 S N -2.257 113.572 115.700 0.215 0.000 2.605 1039 S HA 0.119 4.585 4.470 -0.007 0.000 0.217 1039 S C 0.542 175.239 174.600 0.161 0.000 0.958 1039 S CA -0.389 57.917 58.200 0.176 0.000 0.919 1039 S CB -0.845 62.413 63.200 0.097 0.000 0.780 1039 S HN 0.044 nan 8.310 nan 0.000 0.507 1040 N N 0.563 119.400 118.700 0.228 0.000 2.284 1040 N HA 0.697 5.433 4.740 -0.007 0.000 0.300 1040 N C -1.015 174.644 175.510 0.249 0.000 1.047 1040 N CA -0.205 52.946 53.050 0.169 0.000 0.821 1040 N CB 1.921 40.488 38.487 0.133 0.000 1.337 1040 N HN 0.307 nan 8.380 nan 0.000 0.482 1041 A N 1.351 124.220 122.820 0.083 0.000 2.566 1041 A HA 0.787 5.103 4.320 -0.007 0.000 0.292 1041 A C -1.085 176.489 177.584 -0.016 0.000 1.112 1041 A CA -0.665 51.394 52.037 0.036 0.000 0.707 1041 A CB 1.312 20.127 19.000 -0.308 0.000 1.302 1041 A HN 0.566 nan 8.150 nan 0.000 0.409 1042 S N -0.538 115.169 115.700 0.011 0.000 2.621 1042 S HA 0.584 5.050 4.470 -0.007 0.000 0.302 1042 S C -0.125 174.467 174.600 -0.013 0.000 1.093 1042 S CA -0.575 57.632 58.200 0.010 0.000 1.017 1042 S CB 1.635 64.866 63.200 0.051 0.000 1.077 1042 S HN 0.731 nan 8.310 nan 0.000 0.517 1043 V N 2.604 122.518 119.914 -0.001 0.000 2.673 1043 V HA 0.104 4.219 4.120 -0.007 0.000 0.303 1043 V C 0.950 177.067 176.094 0.039 0.000 1.046 1043 V CA -0.022 62.286 62.300 0.014 0.000 1.126 1043 V CB 1.191 33.036 31.823 0.037 0.000 0.934 1043 V HN 0.957 nan 8.190 nan 0.000 0.487 1044 S N 6.366 122.095 115.700 0.048 0.000 2.572 1044 S HA 0.210 4.675 4.470 -0.007 0.000 0.279 1044 S C -2.318 172.321 174.600 0.065 0.000 1.341 1044 S CA -0.931 57.307 58.200 0.063 0.000 1.043 1044 S CB 0.718 63.959 63.200 0.068 0.000 0.887 1044 S HN 0.615 nan 8.310 nan 0.000 0.516 1045 P HA 0.230 nan 4.420 nan 0.000 0.267 1045 P C -1.003 176.364 177.300 0.112 0.000 1.205 1045 P CA -0.215 62.956 63.100 0.119 0.000 0.765 1045 P CB 0.644 32.428 31.700 0.140 0.000 0.828 1046 V N 0.070 120.068 119.914 0.140 0.000 3.188 1046 V HA 0.749 4.864 4.120 -0.007 0.000 0.305 1046 V C -0.192 175.998 176.094 0.160 0.000 1.232 1046 V CA -1.004 61.361 62.300 0.108 0.000 1.043 1046 V CB 1.641 33.504 31.823 0.067 0.000 1.068 1046 V HN 0.517 nan 8.190 nan 0.000 0.439 1047 T N -0.250 114.410 114.554 0.178 0.000 2.899 1047 T HA 0.546 4.892 4.350 -0.007 0.000 0.284 1047 T C 0.866 175.707 174.700 0.235 0.000 1.004 1047 T CA -0.554 61.662 62.100 0.194 0.000 1.043 1047 T CB 1.215 70.200 68.868 0.195 0.000 1.013 1047 T HN 0.555 nan 8.240 nan 0.000 0.518 1048 I N -0.354 120.259 120.570 0.071 0.000 2.480 1048 I HA 0.142 4.308 4.170 -0.007 0.000 0.251 1048 I C 0.377 176.167 176.117 -0.545 0.000 1.124 1048 I CA 0.692 61.894 61.300 -0.163 0.000 1.444 1048 I CB -0.853 36.938 38.000 -0.348 0.000 1.098 1048 I HN 0.649 nan 8.210 nan 0.000 0.428 1049 Y N 1.225 121.378 120.300 -0.246 0.000 2.621 1049 Y HA 0.476 5.022 4.550 -0.007 0.000 0.334 1049 Y C -2.131 173.499 175.900 -0.450 0.000 1.074 1049 Y CA -2.692 55.131 58.100 -0.462 0.000 1.149 1049 Y CB 0.389 38.675 38.460 -0.291 0.000 1.302 1049 Y HN -0.159 nan 8.280 nan 0.000 0.501 1050 P HA 0.180 nan 4.420 nan 0.000 0.276 1050 P C -0.838 176.418 177.300 -0.074 0.000 1.252 1050 P CA -0.350 62.679 63.100 -0.118 0.000 0.802 1050 P CB 1.135 32.655 31.700 -0.300 0.000 1.035 1051 T N 2.136 116.676 114.554 -0.023 0.000 2.823 1051 T HA 0.427 4.773 4.350 -0.007 0.000 0.279 1051 T C -2.447 172.251 174.700 -0.002 0.000 0.998 1051 T CA -1.553 60.543 62.100 -0.006 0.000 0.994 1051 T CB 0.732 69.618 68.868 0.031 0.000 0.960 1051 T HN 0.248 nan 8.240 nan 0.000 0.448 1052 P HA 0.300 nan 4.420 nan 0.000 0.271 1052 P C -0.882 176.570 177.300 0.253 0.000 1.216 1052 P CA -0.268 62.888 63.100 0.093 0.000 0.771 1052 P CB 0.393 32.018 31.700 -0.125 0.000 0.864 1053 I N 4.637 125.393 120.570 0.311 0.000 2.569 1053 I HA 0.293 4.458 4.170 -0.007 0.000 0.290 1053 I C -2.564 173.534 176.117 -0.033 0.000 1.088 1053 I CA -3.081 58.325 61.300 0.175 0.000 1.047 1053 I CB 2.097 40.152 38.000 0.091 0.000 1.237 1053 I HN 0.045 nan 8.210 nan 0.000 0.421 1054 P HA 0.209 nan 4.420 nan 0.000 0.267 1054 P C 0.833 177.988 177.300 -0.241 0.000 1.205 1054 P CA -0.129 62.610 63.100 -0.601 0.000 0.765 1054 P CB 0.807 32.250 31.700 -0.429 0.000 0.828 1055 R N 3.362 123.722 120.500 -0.233 0.000 2.117 1055 R HA -0.219 4.117 4.340 -0.007 0.000 0.243 1055 R C 2.121 178.417 176.300 -0.006 0.000 1.143 1055 R CA 1.934 58.004 56.100 -0.049 0.000 0.968 1055 R CB -0.272 29.997 30.300 -0.052 0.000 0.863 1055 R HN 0.193 nan 8.270 nan 0.000 0.444 1056 K N -0.266 120.088 120.400 -0.077 0.000 2.097 1056 K HA -0.108 4.208 4.320 -0.007 0.000 0.206 1056 K C 1.959 178.521 176.600 -0.064 0.000 1.049 1056 K CA 1.645 57.892 56.287 -0.065 0.000 0.933 1056 K CB -0.839 31.612 32.500 -0.081 0.000 0.717 1056 K HN 0.586 nan 8.250 nan 0.000 0.442 1057 C N -0.349 118.915 119.300 -0.060 0.000 2.453 1057 C HA 0.130 4.585 4.460 -0.007 0.000 0.277 1057 C C 2.292 177.252 174.990 -0.050 0.000 1.262 1057 C CA 0.809 59.789 59.018 -0.064 0.000 1.718 1057 C CB -1.319 26.398 27.740 -0.039 0.000 2.031 1057 C HN 0.727 nan 8.230 nan 0.000 0.480 1058 F N 2.305 122.192 119.950 -0.106 0.000 2.102 1058 F HA -0.180 4.343 4.527 -0.007 0.000 0.298 1058 F C 2.086 177.825 175.800 -0.101 0.000 1.105 1058 F CA 2.114 60.067 58.000 -0.078 0.000 1.239 1058 F CB -0.348 38.625 39.000 -0.044 0.000 0.991 1058 F HN 0.189 nan 8.300 nan 0.000 0.474 1059 D N 0.243 120.571 120.400 -0.120 0.000 2.149 1059 D HA -0.223 4.412 4.640 -0.007 0.000 0.198 1059 D C 2.104 178.244 176.300 -0.266 0.000 0.990 1059 D CA 1.506 55.376 54.000 -0.217 0.000 0.839 1059 D CB -0.485 40.271 40.800 -0.074 0.000 0.948 1059 D HN 0.548 nan 8.370 nan 0.000 0.460 1060 E N 0.351 120.424 120.200 -0.213 0.000 2.072 1060 E HA -0.143 4.203 4.350 -0.007 0.000 0.191 1060 E C 1.976 178.425 176.600 -0.251 0.000 0.985 1060 E CA 1.006 57.285 56.400 -0.200 0.000 0.801 1060 E CB 0.028 29.624 29.700 -0.173 0.000 0.750 1060 E HN 0.171 nan 8.360 nan 0.000 0.452 1061 A N 0.472 123.084 122.820 -0.347 0.000 1.902 1061 A HA -0.121 4.195 4.320 -0.007 0.000 0.217 1061 A C 2.384 179.827 177.584 -0.235 0.000 1.181 1061 A CA 1.371 53.188 52.037 -0.367 0.000 0.623 1061 A CB -0.593 18.153 19.000 -0.423 0.000 0.818 1061 A HN 0.227 nan 8.150 nan 0.000 0.443 1062 V N -0.530 119.102 119.914 -0.470 0.000 2.307 1062 V HA -0.254 3.861 4.120 -0.007 0.000 0.245 1062 V C 2.890 178.764 176.094 -0.367 0.000 1.045 1062 V CA 2.131 64.066 62.300 -0.609 0.000 1.024 1062 V CB -1.105 30.102 31.823 -1.027 0.000 0.651 1062 V HN 0.649 nan 8.190 nan 0.000 0.449 1063 Q N -1.118 118.513 119.800 -0.282 0.000 2.170 1063 Q HA -0.022 4.313 4.340 -0.007 0.000 0.203 1063 Q C 2.152 178.116 176.000 -0.060 0.000 0.976 1063 Q CA 1.312 57.021 55.803 -0.157 0.000 0.858 1063 Q CB -0.369 28.285 28.738 -0.141 0.000 0.907 1063 Q HN 0.670 nan 8.270 nan 0.000 0.433 1064 I N 0.339 120.895 120.570 -0.024 0.000 3.419 1064 I HA -0.071 4.095 4.170 -0.007 0.000 0.286 1064 I C 2.165 178.412 176.117 0.217 0.000 1.268 1064 I CA 0.893 62.223 61.300 0.050 0.000 1.414 1064 I CB -0.314 37.718 38.000 0.053 0.000 1.074 1064 I HN 0.289 nan 8.210 nan 0.000 0.457 1065 Q N 2.088 122.057 119.800 0.283 0.000 2.077 1065 Q HA -0.151 4.185 4.340 -0.007 0.000 0.206 1065 Q C -0.944 175.279 176.000 0.372 0.000 0.989 1065 Q CA 2.327 58.389 55.803 0.432 0.000 0.853 1065 Q CB -1.272 27.734 28.738 0.448 0.000 0.907 1065 Q HN 0.246 nan 8.270 nan 0.000 0.418 1066 P HA -0.105 nan 4.420 nan 0.000 0.220 1066 P C 1.024 178.413 177.300 0.148 0.000 1.148 1066 P CA 1.018 64.239 63.100 0.201 0.000 0.803 1066 P CB 0.046 31.831 31.700 0.141 0.000 0.782 1067 V N -1.600 118.363 119.914 0.082 0.000 2.379 1067 V HA -0.202 3.913 4.120 -0.007 0.000 0.245 1067 V C 2.058 178.124 176.094 -0.048 0.000 1.044 1067 V CA 1.648 63.923 62.300 -0.040 0.000 1.036 1067 V CB -1.318 30.405 31.823 -0.166 0.000 0.664 1067 V HN -0.011 nan 8.190 nan 0.000 0.453 1068 F N 1.185 121.189 119.950 0.090 0.000 2.171 1068 F HA -0.114 4.409 4.527 -0.007 0.000 0.300 1068 F C 2.370 178.229 175.800 0.100 0.000 1.090 1068 F CA 1.419 59.429 58.000 0.017 0.000 1.293 1068 F CB -0.703 38.304 39.000 0.012 0.000 1.013 1068 F HN 0.199 nan 8.300 nan 0.000 0.486 1069 N N 0.197 119.176 118.700 0.464 0.000 2.069 1069 N HA -0.219 4.517 4.740 -0.007 0.000 0.191 1069 N C 1.947 177.623 175.510 0.276 0.000 1.031 1069 N CA 1.460 54.823 53.050 0.522 0.000 0.852 1069 N CB -0.641 38.079 38.487 0.389 0.000 1.018 1069 N HN 0.415 nan 8.380 nan 0.000 0.423 1070 E N 0.280 120.563 120.200 0.138 0.000 2.051 1070 E HA -0.161 4.185 4.350 -0.007 0.000 0.192 1070 E C 1.942 178.524 176.600 -0.031 0.000 0.991 1070 E CA 0.624 57.039 56.400 0.025 0.000 0.799 1070 E CB -0.093 29.616 29.700 0.016 0.000 0.748 1070 E HN 0.134 nan 8.360 nan 0.000 0.449 1071 L N 0.353 121.554 121.223 -0.036 0.000 1.990 1071 L HA -0.222 4.114 4.340 -0.007 0.000 0.213 1071 L C 2.013 178.707 176.870 -0.292 0.000 1.072 1071 L CA 1.910 56.658 54.840 -0.153 0.000 0.755 1071 L CB -0.895 41.047 42.059 -0.194 0.000 0.889 1071 L HN 0.229 nan 8.230 nan 0.000 0.432 1072 Y N -0.508 119.665 120.300 -0.211 0.000 2.373 1072 Y HA -0.032 4.513 4.550 -0.007 0.000 0.293 1072 Y C 2.462 178.245 175.900 -0.196 0.000 1.129 1072 Y CA 1.075 59.035 58.100 -0.233 0.000 1.226 1072 Y CB -0.616 37.651 38.460 -0.321 0.000 1.000 1072 Y HN 0.346 nan 8.280 nan 0.000 0.549 1073 A N 0.457 123.170 122.820 -0.179 0.000 1.873 1073 A HA -0.189 4.127 4.320 -0.007 0.000 0.215 1073 A C 2.210 179.559 177.584 -0.392 0.000 1.186 1073 A CA 1.577 53.147 52.037 -0.778 0.000 0.616 1073 A CB -0.487 17.910 19.000 -1.005 0.000 0.823 1073 A HN 0.375 nan 8.150 nan 0.000 0.442 1074 R N -0.620 119.757 120.500 -0.206 0.000 2.096 1074 R HA -0.013 4.323 4.340 -0.007 0.000 0.235 1074 R C 1.960 178.230 176.300 -0.050 0.000 1.127 1074 R CA 1.439 57.513 56.100 -0.043 0.000 0.968 1074 R CB -0.459 29.880 30.300 0.064 0.000 0.861 1074 R HN 0.571 nan 8.270 nan 0.000 0.440 1075 I N 0.087 120.464 120.570 -0.322 0.000 2.226 1075 I HA -0.266 3.899 4.170 -0.007 0.000 0.245 1075 I C 2.031 178.063 176.117 -0.141 0.000 1.100 1075 I CA 1.392 62.389 61.300 -0.505 0.000 1.374 1075 I CB -0.353 37.218 38.000 -0.715 0.000 1.057 1075 I HN 0.177 nan 8.210 nan 0.000 0.413 1076 T N 0.126 114.662 114.554 -0.029 0.000 2.708 1076 T HA -0.234 4.111 4.350 -0.007 0.000 0.266 1076 T C 1.858 176.663 174.700 0.174 0.000 1.037 1076 T CA 1.378 63.557 62.100 0.133 0.000 1.146 1076 T CB -0.264 68.803 68.868 0.333 0.000 0.865 1076 T HN 0.405 nan 8.240 nan 0.000 0.435 1077 Q N 0.405 120.316 119.800 0.186 0.000 2.124 1077 Q HA -0.149 4.187 4.340 -0.007 0.000 0.202 1077 Q C 2.166 178.263 176.000 0.162 0.000 0.977 1077 Q CA 1.478 57.395 55.803 0.191 0.000 0.850 1077 Q CB -0.191 28.650 28.738 0.172 0.000 0.901 1077 Q HN 0.436 nan 8.270 nan 0.000 0.429 1078 D N 0.343 120.842 120.400 0.166 0.000 2.117 1078 D HA -0.104 4.531 4.640 -0.007 0.000 0.198 1078 D C 1.698 178.112 176.300 0.190 0.000 0.982 1078 D CA 1.020 55.139 54.000 0.197 0.000 0.828 1078 D CB 0.041 41.046 40.800 0.342 0.000 0.967 1078 D HN 0.126 nan 8.370 nan 0.000 0.464 1079 M N -0.138 119.563 119.600 0.168 0.000 2.346 1079 M HA -0.144 4.331 4.480 -0.007 0.000 0.263 1079 M C 2.050 178.562 176.300 0.354 0.000 1.064 1079 M CA 1.307 56.738 55.300 0.218 0.000 1.083 1079 M CB -0.062 32.602 32.600 0.106 0.000 1.399 1079 M HN 0.101 nan 8.290 nan 0.000 0.435 1080 A N -0.608 122.365 122.820 0.255 0.000 2.015 1080 A HA -0.059 4.256 4.320 -0.007 0.000 0.219 1080 A C 1.132 178.848 177.584 0.221 0.000 1.163 1080 A CA 0.704 52.919 52.037 0.297 0.000 0.646 1080 A CB -0.340 18.797 19.000 0.227 0.000 0.806 1080 A HN 0.416 nan 8.150 nan 0.000 0.448 1081 Q N -0.178 119.700 119.800 0.131 0.000 2.307 1081 Q HA 0.235 4.570 4.340 -0.007 0.000 0.259 1081 Q C -1.941 173.911 176.000 -0.247 0.000 0.998 1081 Q CA -1.065 54.734 55.803 -0.006 0.000 0.923 1081 Q CB 0.831 29.591 28.738 0.037 0.000 1.196 1081 Q HN 0.481 nan 8.270 nan 0.000 0.416 1082 P HA -0.171 nan 4.420 nan 0.000 0.218 1082 P C 0.758 177.908 177.300 -0.250 0.000 1.146 1082 P CA 2.098 64.834 63.100 -0.607 0.000 0.820 1082 P CB 0.162 31.726 31.700 -0.228 0.000 0.778 1083 D N -1.604 118.743 120.400 -0.088 0.000 2.349 1083 D HA 0.118 4.754 4.640 -0.007 0.000 0.214 1083 D C 0.754 177.099 176.300 0.075 0.000 1.063 1083 D CA 0.078 54.087 54.000 0.015 0.000 0.847 1083 D CB -0.391 40.416 40.800 0.011 0.000 0.933 1083 D HN 0.250 nan 8.370 nan 0.000 0.513 1084 S N -1.026 114.736 115.700 0.105 0.000 2.580 1084 S HA 0.212 4.677 4.470 -0.007 0.000 0.274 1084 S C 1.047 175.795 174.600 0.247 0.000 1.329 1084 S CA -0.526 57.775 58.200 0.168 0.000 1.036 1084 S CB 1.157 64.465 63.200 0.181 0.000 0.919 1084 S HN 0.346 nan 8.310 nan 0.000 0.515 1085 Y N 2.633 122.983 120.300 0.083 0.000 2.207 1085 Y HA -0.115 4.431 4.550 -0.007 0.000 0.287 1085 Y C 1.606 177.543 175.900 0.060 0.000 1.156 1085 Y CA 1.382 59.520 58.100 0.062 0.000 1.182 1085 Y CB -0.629 37.860 38.460 0.048 0.000 0.979 1085 Y HN 0.605 nan 8.280 nan 0.000 0.521 1086 L N -0.327 120.922 121.223 0.043 0.000 2.017 1086 L HA -0.227 4.108 4.340 -0.007 0.000 0.208 1086 L C 2.489 179.323 176.870 -0.059 0.000 1.073 1086 L CA 2.324 57.097 54.840 -0.111 0.000 0.745 1086 L CB -1.979 40.063 42.059 -0.029 0.000 0.894 1086 L HN 0.336 nan 8.230 nan 0.000 0.432 1087 H N 0.447 119.518 119.070 0.002 0.000 2.319 1087 H HA -0.181 4.371 4.556 -0.007 0.000 0.297 1087 H C 2.265 177.548 175.328 -0.075 0.000 1.097 1087 H CA 2.137 58.209 56.048 0.041 0.000 1.285 1087 H CB 0.245 30.106 29.762 0.165 0.000 1.368 1087 H HN 0.215 nan 8.280 nan 0.000 0.495 1088 K N -0.964 119.511 120.400 0.126 0.000 2.026 1088 K HA -0.102 4.214 4.320 -0.007 0.000 0.208 1088 K C 2.291 178.829 176.600 -0.103 0.000 1.048 1088 K CA 1.662 57.981 56.287 0.053 0.000 0.929 1088 K CB -0.160 32.449 32.500 0.181 0.000 0.713 1088 K HN 0.269 nan 8.250 nan 0.000 0.439 1089 T N 0.956 115.419 114.554 -0.152 0.000 2.759 1089 T HA -0.136 4.209 4.350 -0.007 0.000 0.269 1089 T C 1.875 176.386 174.700 -0.316 0.000 1.042 1089 T CA 1.846 63.794 62.100 -0.253 0.000 1.140 1089 T CB -0.316 68.272 68.868 -0.466 0.000 0.864 1089 T HN 0.302 nan 8.240 nan 0.000 0.455 1090 T N 1.758 116.050 114.554 -0.436 0.000 2.821 1090 T HA -0.051 4.295 4.350 -0.007 0.000 0.267 1090 T C 1.907 176.112 174.700 -0.825 0.000 1.046 1090 T CA 0.943 62.675 62.100 -0.614 0.000 1.139 1090 T CB -0.186 68.224 68.868 -0.763 0.000 0.871 1090 T HN 0.515 nan 8.240 nan 0.000 0.454 1091 E N 1.079 120.751 120.200 -0.880 0.000 2.058 1091 E HA -0.134 4.211 4.350 -0.007 0.000 0.194 1091 E C 2.604 178.963 176.600 -0.401 0.000 0.997 1091 E CA 1.129 57.077 56.400 -0.753 0.000 0.801 1091 E CB -0.234 29.234 29.700 -0.386 0.000 0.746 1091 E HN 0.484 nan 8.360 nan 0.000 0.450 1092 A N 1.002 123.663 122.820 -0.265 0.000 1.902 1092 A HA -0.165 4.150 4.320 -0.007 0.000 0.217 1092 A C 2.403 179.892 177.584 -0.157 0.000 1.181 1092 A CA 1.243 53.188 52.037 -0.153 0.000 0.623 1092 A CB -0.895 18.051 19.000 -0.090 0.000 0.818 1092 A HN 0.258 nan 8.150 nan 0.000 0.443 1093 L N -0.576 120.523 121.223 -0.207 0.000 2.201 1093 L HA 0.055 4.390 4.340 -0.007 0.000 0.212 1093 L C 2.801 179.577 176.870 -0.157 0.000 1.105 1093 L CA 1.843 56.586 54.840 -0.163 0.000 0.775 1093 L CB -1.341 40.614 42.059 -0.175 0.000 0.913 1093 L HN 0.682 nan 8.230 nan 0.000 0.440 1094 A N -1.286 121.391 122.820 -0.238 0.000 2.066 1094 A HA -0.031 4.284 4.320 -0.007 0.000 0.218 1094 A C 2.251 179.774 177.584 -0.102 0.000 1.157 1094 A CA 1.598 53.529 52.037 -0.177 0.000 0.670 1094 A CB -0.404 18.438 19.000 -0.263 0.000 0.804 1094 A HN 0.604 nan 8.150 nan 0.000 0.453 1095 L N -0.900 120.264 121.223 -0.098 0.000 2.130 1095 L HA -0.040 4.295 4.340 -0.007 0.000 0.200 1095 L C 2.622 179.467 176.870 -0.040 0.000 1.075 1095 L CA 1.777 56.584 54.840 -0.055 0.000 0.768 1095 L CB -0.494 41.538 42.059 -0.045 0.000 0.933 1095 L HN 0.456 nan 8.230 nan 0.000 0.451 1096 S N -0.555 115.120 115.700 -0.041 0.000 2.383 1096 S HA -0.248 4.217 4.470 -0.007 0.000 0.229 1096 S C 0.986 175.567 174.600 -0.033 0.000 1.030 1096 S CA 1.850 60.034 58.200 -0.026 0.000 1.002 1096 S CB -0.269 62.917 63.200 -0.024 0.000 0.829 1096 S HN 0.625 nan 8.310 nan 0.000 0.467 1097 D N 0.151 120.532 120.400 -0.032 0.000 2.886 1097 D HA 0.342 4.977 4.640 -0.007 0.000 0.355 1097 D C 1.134 177.432 176.300 -0.003 0.000 1.274 1097 D CA 0.374 54.372 54.000 -0.003 0.000 0.836 1097 D CB 0.551 41.367 40.800 0.025 0.000 1.109 1097 D HN 0.285 nan 8.370 nan 0.000 0.488 1098 S N 0.025 115.709 115.700 -0.028 0.000 2.442 1098 S HA -0.196 4.270 4.470 -0.007 0.000 0.236 1098 S C 1.679 176.234 174.600 -0.075 0.000 1.007 1098 S CA 0.705 58.872 58.200 -0.056 0.000 0.965 1098 S CB -0.137 63.030 63.200 -0.055 0.000 0.773 1098 S HN 0.485 nan 8.310 nan 0.000 0.504 1099 E N -0.881 119.312 120.200 -0.013 0.000 2.274 1099 E HA -0.007 4.339 4.350 -0.007 0.000 0.194 1099 E C 1.155 177.825 176.600 0.117 0.000 0.996 1099 E CA 0.775 57.188 56.400 0.021 0.000 0.840 1099 E CB 0.025 29.765 29.700 0.067 0.000 0.772 1099 E HN 0.659 nan 8.360 nan 0.000 0.491 1100 F N -1.196 118.722 119.950 -0.054 0.000 1.965 1100 F HA 0.139 4.662 4.527 -0.008 0.000 0.237 1100 F C 2.085 177.873 175.800 -0.019 0.000 1.132 1100 F CA 0.801 58.814 58.000 0.020 0.000 1.272 1100 F CB -0.144 38.911 39.000 0.091 0.000 1.657 1100 F HN -0.191 nan 8.300 nan 0.000 0.525 1101 T N 0.411 114.970 114.554 0.008 0.000 2.720 1101 T HA -0.113 4.232 4.350 -0.007 0.000 0.268 1101 T C 2.042 176.676 174.700 -0.111 0.000 1.037 1101 T CA 1.705 63.746 62.100 -0.100 0.000 1.144 1101 T CB -1.212 67.649 68.868 -0.012 0.000 0.864 1101 T HN 0.463 nan 8.240 nan 0.000 0.444 1102 G N 1.592 110.334 108.800 -0.097 0.000 2.469 1102 G HA2 -0.245 3.711 3.960 -0.007 0.000 0.219 1102 G HA3 -0.245 3.711 3.960 -0.007 0.000 0.219 1102 G C 1.618 176.416 174.900 -0.169 0.000 1.150 1102 G CA 0.771 45.821 45.100 -0.082 0.000 0.763 1102 G HN 0.440 nan 8.290 nan 0.000 0.561 1103 K N -0.284 119.867 120.400 -0.414 0.000 2.103 1103 K HA 0.158 4.473 4.320 -0.007 0.000 0.204 1103 K C 2.523 178.792 176.600 -0.553 0.000 1.052 1103 K CA 0.431 56.267 56.287 -0.752 0.000 0.945 1103 K CB -0.208 31.283 32.500 -1.681 0.000 0.722 1103 K HN 0.276 nan 8.250 nan 0.000 0.443 1104 L N -0.036 120.959 121.223 -0.381 0.000 2.056 1104 L HA -0.170 4.166 4.340 -0.007 0.000 0.207 1104 L C 2.420 179.299 176.870 0.016 0.000 1.078 1104 L CA 1.099 55.863 54.840 -0.126 0.000 0.749 1104 L CB -0.434 41.524 42.059 -0.169 0.000 0.901 1104 L HN 0.449 nan 8.230 nan 0.000 0.433 1105 W N 0.655 121.866 121.300 -0.149 0.000 2.358 1105 W HA -0.215 4.441 4.660 -0.008 0.000 0.303 1105 W C 2.484 178.999 176.519 -0.007 0.000 1.208 1105 W CA 1.669 58.983 57.345 -0.052 0.000 1.274 1105 W CB 0.020 29.424 29.460 -0.093 0.000 1.138 1105 W HN 0.126 nan 8.180 nan 0.000 0.515 1106 S N 1.271 116.940 115.700 -0.052 0.000 2.382 1106 S HA -0.187 4.278 4.470 -0.007 0.000 0.228 1106 S C 1.875 176.373 174.600 -0.170 0.000 1.027 1106 S CA 1.502 59.613 58.200 -0.148 0.000 0.991 1106 S CB -0.655 62.461 63.200 -0.139 0.000 0.823 1106 S HN 0.250 nan 8.310 nan 0.000 0.469 1107 L N -0.174 120.977 121.223 -0.119 0.000 2.046 1107 L HA -0.136 4.200 4.340 -0.007 0.000 0.208 1107 L C 2.375 179.195 176.870 -0.084 0.000 1.077 1107 L CA 1.605 56.410 54.840 -0.058 0.000 0.747 1107 L CB -0.694 41.386 42.059 0.035 0.000 0.896 1107 L HN 0.353 nan 8.230 nan 0.000 0.432 1108 Y N 1.181 121.342 120.300 -0.232 0.000 2.128 1108 Y HA -0.259 4.286 4.550 -0.008 0.000 0.284 1108 Y C 2.392 178.083 175.900 -0.348 0.000 1.154 1108 Y CA 1.508 59.432 58.100 -0.294 0.000 1.149 1108 Y CB -0.420 37.773 38.460 -0.444 0.000 0.976 1108 Y HN -0.020 nan 8.280 nan 0.000 0.505 1109 L N -0.046 120.789 121.223 -0.647 0.000 2.042 1109 L HA -0.270 4.065 4.340 -0.007 0.000 0.210 1109 L C 2.801 179.428 176.870 -0.405 0.000 1.076 1109 L CA 1.340 55.821 54.840 -0.598 0.000 0.749 1109 L CB -1.203 40.607 42.059 -0.415 0.000 0.893 1109 L HN 0.364 nan 8.230 nan 0.000 0.432 1110 A N 0.228 122.881 122.820 -0.278 0.000 1.978 1110 A HA -0.219 4.097 4.320 -0.007 0.000 0.220 1110 A C 2.388 179.866 177.584 -0.177 0.000 1.170 1110 A CA 2.184 54.116 52.037 -0.175 0.000 0.636 1110 A CB -0.938 18.001 19.000 -0.102 0.000 0.810 1110 A HN 0.566 nan 8.150 nan 0.000 0.448 1111 T N -2.059 112.354 114.554 -0.234 0.000 3.035 1111 T HA 0.072 4.418 4.350 -0.007 0.000 0.268 1111 T C 1.587 176.152 174.700 -0.226 0.000 1.109 1111 T CA 1.061 63.052 62.100 -0.181 0.000 1.119 1111 T CB -0.442 68.343 68.868 -0.139 0.000 0.900 1111 T HN 0.339 nan 8.240 nan 0.000 0.503 1112 L N 0.371 121.394 121.223 -0.333 0.000 2.376 1112 L HA 0.061 4.397 4.340 -0.007 0.000 0.219 1112 L C 1.551 178.319 176.870 -0.171 0.000 1.133 1112 L CA 0.128 54.803 54.840 -0.275 0.000 0.816 1112 L CB -0.461 41.396 42.059 -0.337 0.000 0.933 1112 L HN 0.110 nan 8.230 nan 0.000 0.449 1113 K N 0.586 120.896 120.400 -0.151 0.000 2.336 1113 K HA 0.082 4.397 4.320 -0.007 0.000 0.262 1113 K C 0.756 177.289 176.600 -0.112 0.000 0.992 1113 K CA -0.133 56.087 56.287 -0.111 0.000 0.927 1113 K CB 0.818 33.263 32.500 -0.091 0.000 0.956 1113 K HN 0.405 nan 8.250 nan 0.000 0.495 1114 S N -0.138 115.502 115.700 -0.100 0.000 2.584 1114 S HA 0.571 5.037 4.470 -0.007 0.000 0.270 1114 S C 0.103 174.604 174.600 -0.165 0.000 1.346 1114 S CA -0.390 57.739 58.200 -0.118 0.000 1.018 1114 S CB 1.037 64.183 63.200 -0.090 0.000 0.899 1114 S HN 0.926 nan 8.310 nan 0.000 0.542 1115 A N 0.881 123.548 122.820 -0.255 0.000 2.469 1115 A HA 0.610 4.926 4.320 -0.007 0.000 0.299 1115 A C 0.479 177.835 177.584 -0.380 0.000 1.098 1115 A CA -0.349 51.425 52.037 -0.439 0.000 0.737 1115 A CB 1.298 19.740 19.000 -0.931 0.000 1.312 1115 A HN 1.229 nan 8.150 nan 0.000 0.414 1116 Q N -0.508 119.105 119.800 -0.312 0.000 2.444 1116 Q HA 0.202 4.538 4.340 -0.007 0.000 0.206 1116 Q C -0.029 175.945 176.000 -0.043 0.000 0.948 1116 Q CA 1.095 56.831 55.803 -0.111 0.000 0.946 1116 Q CB -1.219 27.522 28.738 0.005 0.000 1.027 1116 Q HN 1.283 nan 8.270 nan 0.000 0.513 1117 Y N -1.962 118.339 120.300 0.001 0.000 2.598 1117 Y HA 0.733 5.279 4.550 -0.007 0.000 0.340 1117 Y C -0.139 175.761 175.900 0.000 0.000 1.038 1117 Y CA -2.403 55.684 58.100 -0.023 0.000 1.100 1117 Y CB 1.294 39.729 38.460 -0.042 0.000 1.281 1117 Y HN -0.213 nan 8.280 nan 0.000 0.488 1118 K N 2.492 123.006 120.400 0.190 0.000 2.412 1118 K HA 0.158 4.473 4.320 -0.007 0.000 0.281 1118 K C -0.556 176.296 176.600 0.420 0.000 1.027 1118 K CA -0.308 56.090 56.287 0.186 0.000 0.989 1118 K CB 0.687 33.266 32.500 0.131 0.000 0.935 1118 K HN 0.653 nan 8.250 nan 0.000 0.475 1119 K N 1.958 122.558 120.400 0.334 0.000 2.126 1119 K HA 0.029 4.345 4.320 -0.007 0.000 0.257 1119 K C 0.049 176.874 176.600 0.375 0.000 1.007 1119 K CA -0.508 56.016 56.287 0.395 0.000 0.928 1119 K CB 0.588 33.193 32.500 0.175 0.000 1.013 1119 K HN 0.306 nan 8.250 nan 0.000 0.473 1120 Q N 1.775 121.683 119.800 0.180 0.000 2.314 1120 Q HA 0.094 4.430 4.340 -0.007 0.000 0.257 1120 Q C -0.369 175.613 176.000 -0.031 0.000 0.975 1120 Q CA 0.326 56.024 55.803 -0.175 0.000 0.933 1120 Q CB 0.578 29.034 28.738 -0.470 0.000 1.195 1120 Q HN 0.449 nan 8.270 nan 0.000 0.426 1121 N N 3.442 122.146 118.700 0.007 0.000 2.220 1121 N HA 0.095 4.831 4.740 -0.007 0.000 0.195 1121 N C -0.837 174.571 175.510 -0.170 0.000 1.123 1121 N CA 0.146 53.159 53.050 -0.061 0.000 0.874 1121 N CB 0.429 38.867 38.487 -0.082 0.000 0.995 1121 N HN 0.402 nan 8.380 nan 0.000 0.498 1122 F N 2.538 122.388 119.950 -0.168 0.000 2.384 1122 F HA 0.342 4.865 4.527 -0.007 0.000 0.338 1122 F C 1.213 176.853 175.800 -0.267 0.000 1.103 1122 F CA -0.512 57.364 58.000 -0.207 0.000 1.157 1122 F CB 0.886 39.786 39.000 -0.166 0.000 1.167 1122 F HN -0.140 nan 8.300 nan 0.000 0.529 1123 R N 2.804 123.151 120.500 -0.254 0.000 2.808 1123 R HA 0.753 5.088 4.340 -0.007 0.000 0.272 1123 R C -2.296 173.817 176.300 -0.312 0.000 0.995 1123 R CA -1.117 54.805 56.100 -0.296 0.000 0.917 1123 R CB 1.670 31.733 30.300 -0.394 0.000 1.217 1123 R HN 0.622 nan 8.270 nan 0.000 0.471 1124 L N 0.466 121.592 121.223 -0.161 0.000 2.325 1124 L HA 0.634 4.969 4.340 -0.007 0.000 0.281 1124 L C -0.479 176.350 176.870 -0.068 0.000 1.004 1124 L CA -0.054 54.724 54.840 -0.104 0.000 0.823 1124 L CB 1.961 43.938 42.059 -0.137 0.000 1.236 1124 L HN 0.900 nan 8.230 nan 0.000 0.415 1125 G N 6.296 115.044 108.800 -0.086 0.000 2.329 1125 G HA2 0.537 4.492 3.960 -0.007 0.000 0.309 1125 G HA3 0.537 4.492 3.960 -0.007 0.000 0.309 1125 G C -0.584 173.817 174.900 -0.830 0.000 1.110 1125 G CA -0.378 44.417 45.100 -0.508 0.000 0.923 1125 G HN 0.604 nan 8.290 nan 0.000 0.430 1126 I N 3.317 123.604 120.570 -0.471 0.000 2.388 1126 I HA 0.339 4.504 4.170 -0.007 0.000 0.281 1126 I C -0.459 175.636 176.117 -0.036 0.000 1.046 1126 I CA -0.307 60.840 61.300 -0.254 0.000 1.187 1126 I CB 0.456 38.392 38.000 -0.107 0.000 1.351 1126 I HN 0.319 nan 8.210 nan 0.000 0.472 1127 F N 4.564 124.506 119.950 -0.013 0.000 2.557 1127 F HA 0.677 5.199 4.527 -0.007 0.000 0.336 1127 F C 0.390 176.039 175.800 -0.251 0.000 1.058 1127 F CA -1.153 56.711 58.000 -0.226 0.000 0.988 1127 F CB 1.843 40.658 39.000 -0.308 0.000 1.275 1127 F HN 0.282 nan 8.300 nan 0.000 0.488 1128 R N 0.758 121.051 120.500 -0.344 0.000 2.522 1128 R HA 0.311 4.647 4.340 -0.007 0.000 0.283 1128 R C -1.618 174.297 176.300 -0.641 0.000 1.074 1128 R CA -0.396 55.461 56.100 -0.406 0.000 0.925 1128 R CB 2.114 32.163 30.300 -0.417 0.000 1.205 1128 R HN 0.680 nan 8.270 nan 0.000 0.436 1129 S N 2.566 118.000 115.700 -0.443 0.000 2.442 1129 S HA 0.317 4.783 4.470 -0.007 0.000 0.297 1129 S C -0.976 173.275 174.600 -0.582 0.000 1.131 1129 S CA -0.648 57.259 58.200 -0.488 0.000 1.092 1129 S CB 0.842 63.895 63.200 -0.246 0.000 0.998 1129 S HN 0.498 nan 8.310 nan 0.000 0.478 1130 D N 3.309 123.320 120.400 -0.647 0.000 2.192 1130 D HA 0.417 5.053 4.640 -0.007 0.000 0.246 1130 D C -1.078 174.854 176.300 -0.615 0.000 1.042 1130 D CA 0.128 53.843 54.000 -0.475 0.000 0.847 1130 D CB 1.116 41.755 40.800 -0.268 0.000 1.186 1130 D HN 0.522 nan 8.370 nan 0.000 0.461 1131 Y N 0.308 120.605 120.300 -0.004 0.000 2.545 1131 Y HA 0.514 5.060 4.550 -0.008 0.000 0.348 1131 Y C -0.048 175.875 175.900 0.038 0.000 1.002 1131 Y CA -1.006 57.111 58.100 0.028 0.000 1.039 1131 Y CB 1.883 40.370 38.460 0.045 0.000 1.271 1131 Y HN 0.059 nan 8.280 nan 0.000 0.467 1132 L N 3.241 124.597 121.223 0.221 0.000 2.346 1132 L HA 0.538 4.874 4.340 -0.007 0.000 0.274 1132 L C -0.741 176.214 176.870 0.142 0.000 1.007 1132 L CA -0.835 54.093 54.840 0.145 0.000 0.818 1132 L CB 1.903 44.023 42.059 0.102 0.000 1.284 1132 L HN 0.568 nan 8.230 nan 0.000 0.424 1133 I N 2.127 122.761 120.570 0.107 0.000 2.278 1133 I HA 0.055 4.220 4.170 -0.007 0.000 0.296 1133 I C -0.062 176.095 176.117 0.068 0.000 1.121 1133 I CA -0.258 61.091 61.300 0.082 0.000 1.267 1133 I CB 0.526 38.569 38.000 0.072 0.000 1.447 1133 I HN 0.535 nan 8.210 nan 0.000 0.509 1134 D N 6.111 126.551 120.400 0.068 0.000 2.424 1134 D HA 0.266 4.902 4.640 -0.007 0.000 0.244 1134 D C 0.116 176.441 176.300 0.041 0.000 1.134 1134 D CA 0.344 54.377 54.000 0.055 0.000 0.881 1134 D CB 0.766 41.602 40.800 0.060 0.000 1.191 1134 D HN 0.543 nan 8.370 nan 0.000 0.445 1135 K N 3.192 123.613 120.400 0.035 0.000 2.621 1135 K HA 0.375 4.690 4.320 -0.007 0.000 0.233 1135 K C -0.552 176.061 176.600 0.022 0.000 0.972 1135 K CA -0.808 55.496 56.287 0.029 0.000 0.988 1135 K CB 0.659 33.178 32.500 0.032 0.000 1.187 1135 K HN 0.464 nan 8.250 nan 0.000 0.471 1136 K N 2.254 122.666 120.400 0.019 0.000 2.463 1136 K HA 0.350 4.665 4.320 -0.007 0.000 0.255 1136 K C -0.646 175.962 176.600 0.013 0.000 0.942 1136 K CA -0.936 55.360 56.287 0.014 0.000 0.814 1136 K CB 1.593 34.101 32.500 0.014 0.000 1.122 1136 K HN 0.585 nan 8.250 nan 0.000 0.425 1137 K N 1.194 121.601 120.400 0.011 0.000 3.148 1137 K HA -0.251 4.065 4.320 -0.007 0.000 0.267 1137 K C 0.566 177.173 176.600 0.011 0.000 0.996 1137 K CA 0.914 57.207 56.287 0.011 0.000 0.737 1137 K CB -1.756 30.750 32.500 0.010 0.000 1.308 1137 K HN 1.251 nan 8.250 nan 0.000 0.470 1138 G N -0.771 108.037 108.800 0.013 0.000 2.189 1138 G HA2 -0.347 3.608 3.960 -0.007 0.000 0.267 1138 G HA3 -0.347 3.608 3.960 -0.007 0.000 0.267 1138 G C 0.256 175.164 174.900 0.014 0.000 0.975 1138 G CA 0.932 46.041 45.100 0.014 0.000 0.644 1138 G HN 0.378 nan 8.290 nan 0.000 0.537 1139 T N 1.151 115.712 114.554 0.013 0.000 2.739 1139 T HA 0.449 4.794 4.350 -0.007 0.000 0.298 1139 T C 0.084 174.792 174.700 0.014 0.000 0.929 1139 T CA 0.107 62.214 62.100 0.011 0.000 1.014 1139 T CB 1.266 70.141 68.868 0.012 0.000 0.914 1139 T HN 0.428 nan 8.240 nan 0.000 0.509 1140 E N 3.319 123.525 120.200 0.010 0.000 2.130 1140 E HA 0.362 4.707 4.350 -0.007 0.000 0.284 1140 E C -0.442 176.159 176.600 0.000 0.000 1.018 1140 E CA -0.629 55.777 56.400 0.010 0.000 0.817 1140 E CB 0.559 30.262 29.700 0.005 0.000 1.078 1140 E HN 0.409 nan 8.360 nan 0.000 0.396 1141 Q N 4.493 124.299 119.800 0.010 0.000 2.281 1141 Q HA 0.258 4.593 4.340 -0.007 0.000 0.263 1141 Q C -1.227 174.784 176.000 0.018 0.000 0.989 1141 Q CA -0.657 55.148 55.803 0.003 0.000 0.852 1141 Q CB 0.972 29.717 28.738 0.012 0.000 1.337 1141 Q HN 0.701 nan 8.270 nan 0.000 0.418 1142 I N 0.774 121.331 120.570 -0.022 0.000 2.648 1142 I HA 0.420 4.586 4.170 -0.007 0.000 0.284 1142 I C -0.499 175.686 176.117 0.113 0.000 1.153 1142 I CA -0.171 61.124 61.300 -0.009 0.000 1.426 1142 I CB 0.506 38.345 38.000 -0.268 0.000 1.381 1142 I HN 0.248 nan 8.210 nan 0.000 0.571 1143 K N 5.800 126.347 120.400 0.244 0.000 2.397 1143 K HA 0.295 4.611 4.320 -0.007 0.000 0.253 1143 K C -0.971 175.858 176.600 0.381 0.000 0.932 1143 K CA -0.659 55.802 56.287 0.291 0.000 0.795 1143 K CB 2.081 34.691 32.500 0.184 0.000 1.159 1143 K HN 0.737 nan 8.250 nan 0.000 0.424 1144 Q N 2.472 122.502 119.800 0.384 0.000 2.286 1144 Q HA 0.080 4.416 4.340 -0.007 0.000 0.267 1144 Q C 0.480 176.492 176.000 0.020 0.000 1.028 1144 Q CA -0.072 55.792 55.803 0.103 0.000 0.901 1144 Q CB 0.862 29.675 28.738 0.127 0.000 1.183 1144 Q HN 0.382 nan 8.270 nan 0.000 0.392 1145 V N 3.804 123.671 119.914 -0.077 0.000 2.346 1145 V HA -0.098 4.017 4.120 -0.007 0.000 0.244 1145 V C 0.422 176.466 176.094 -0.084 0.000 1.037 1145 V CA 1.949 64.219 62.300 -0.049 0.000 1.029 1145 V CB -0.400 31.392 31.823 -0.052 0.000 0.663 1145 V HN 0.966 nan 8.190 nan 0.000 0.454 1146 E N -1.809 118.296 120.200 -0.157 0.000 2.422 1146 E HA 0.363 4.709 4.350 -0.007 0.000 0.280 1146 E C -1.546 174.921 176.600 -0.221 0.000 1.091 1146 E CA -0.799 55.511 56.400 -0.150 0.000 0.849 1146 E CB 1.329 30.954 29.700 -0.125 0.000 1.353 1146 E HN -0.058 nan 8.360 nan 0.000 0.449 1147 F N 1.942 121.653 119.950 -0.398 0.000 2.449 1147 F HA 0.467 4.990 4.527 -0.007 0.000 0.342 1147 F C -0.907 174.602 175.800 -0.484 0.000 1.127 1147 F CA -0.708 56.951 58.000 -0.568 0.000 0.975 1147 F CB 1.335 39.837 39.000 -0.830 0.000 1.146 1147 F HN 0.376 nan 8.300 nan 0.000 0.444 1148 N N 3.891 122.081 118.700 -0.849 0.000 2.422 1148 N HA 0.161 4.897 4.740 -0.007 0.000 0.266 1148 N C 0.330 175.504 175.510 -0.560 0.000 1.007 1148 N CA 0.097 52.827 53.050 -0.533 0.000 0.941 1148 N CB 1.594 39.856 38.487 -0.375 0.000 1.115 1148 N HN 0.705 nan 8.380 nan 0.000 0.492 1149 T N -2.137 112.239 114.554 -0.296 0.000 3.085 1149 T HA 0.204 4.550 4.350 -0.007 0.000 0.264 1149 T C 0.247 175.062 174.700 0.192 0.000 1.019 1149 T CA -0.282 61.770 62.100 -0.080 0.000 0.910 1149 T CB 0.062 68.857 68.868 -0.123 0.000 1.059 1149 T HN 0.265 nan 8.240 nan 0.000 0.542 1150 V N 0.381 120.346 119.914 0.084 0.000 2.932 1150 V HA 0.653 4.769 4.120 -0.007 0.000 0.307 1150 V C -0.003 176.095 176.094 0.006 0.000 1.147 1150 V CA -0.010 62.360 62.300 0.117 0.000 0.951 1150 V CB 1.723 33.637 31.823 0.152 0.000 1.031 1150 V HN 0.460 nan 8.190 nan 0.000 0.426 1151 S N 3.359 119.074 115.700 0.026 0.000 3.477 1151 S HA -0.150 4.316 4.470 -0.007 0.000 0.371 1151 S C -0.091 174.387 174.600 -0.203 0.000 0.965 1151 S CA 0.805 58.941 58.200 -0.107 0.000 1.239 1151 S CB -1.321 61.810 63.200 -0.114 0.000 0.918 1151 S HN 2.199 nan 8.310 nan 0.000 0.498 1152 V N 1.011 120.881 119.914 -0.074 0.000 2.637 1152 V HA 0.701 4.816 4.120 -0.007 0.000 0.296 1152 V C 0.778 176.840 176.094 -0.053 0.000 1.046 1152 V CA -0.032 62.231 62.300 -0.061 0.000 1.066 1152 V CB 1.470 33.330 31.823 0.062 0.000 0.968 1152 V HN 0.530 nan 8.190 nan 0.000 0.483 1153 S N 3.560 119.164 115.700 -0.161 0.000 2.713 1153 S HA 0.775 5.241 4.470 -0.007 0.000 0.283 1153 S C -0.136 174.421 174.600 -0.072 0.000 1.161 1153 S CA -0.213 57.767 58.200 -0.366 0.000 0.999 1153 S CB 0.623 63.191 63.200 -1.053 0.000 1.039 1153 S HN 1.088 nan 8.310 nan 0.000 0.548 1154 F N -1.640 118.378 119.950 0.113 0.000 2.794 1154 F HA -0.267 4.255 4.527 -0.008 0.000 0.335 1154 F C 1.679 177.546 175.800 0.112 0.000 0.653 1154 F CA 0.134 58.214 58.000 0.133 0.000 1.266 1154 F CB -2.246 36.852 39.000 0.164 0.000 1.666 1154 F HN 0.610 nan 8.300 nan 0.000 0.314 1155 A N 0.240 123.086 122.820 0.044 0.000 1.972 1155 A HA 0.154 4.469 4.320 -0.007 0.000 0.219 1155 A C 2.456 180.002 177.584 -0.063 0.000 1.169 1155 A CA 2.102 53.951 52.037 -0.314 0.000 0.635 1155 A CB -1.034 17.559 19.000 -0.678 0.000 0.810 1155 A HN 0.639 nan 8.150 nan 0.000 0.446 1156 G N -0.364 108.454 108.800 0.030 0.000 2.404 1156 G HA2 -0.038 3.917 3.960 -0.007 0.000 0.213 1156 G HA3 -0.038 3.917 3.960 -0.007 0.000 0.213 1156 G C 1.475 176.443 174.900 0.113 0.000 1.189 1156 G CA 0.790 45.930 45.100 0.067 0.000 0.796 1156 G HN 0.408 nan 8.290 nan 0.000 0.532 1157 L N 1.143 122.470 121.223 0.172 0.000 2.291 1157 L HA -0.020 4.315 4.340 -0.007 0.000 0.214 1157 L C 3.044 179.993 176.870 0.132 0.000 1.120 1157 L CA 0.921 55.861 54.840 0.168 0.000 0.799 1157 L CB -0.291 41.902 42.059 0.224 0.000 0.925 1157 L HN 0.367 nan 8.230 nan 0.000 0.446 1158 S N 0.386 116.184 115.700 0.162 0.000 2.359 1158 S HA -0.237 4.229 4.470 -0.007 0.000 0.224 1158 S C 1.817 176.480 174.600 0.104 0.000 1.035 1158 S CA 1.632 59.918 58.200 0.142 0.000 1.018 1158 S CB -0.101 63.239 63.200 0.233 0.000 0.876 1158 S HN 0.482 nan 8.310 nan 0.000 0.448 1159 E N 0.530 120.794 120.200 0.107 0.000 2.118 1159 E HA -0.158 4.187 4.350 -0.007 0.000 0.195 1159 E C 2.275 178.944 176.600 0.114 0.000 0.992 1159 E CA 1.208 57.670 56.400 0.104 0.000 0.804 1159 E CB -0.104 29.656 29.700 0.100 0.000 0.741 1159 E HN 0.586 nan 8.360 nan 0.000 0.458 1160 K N 0.422 120.901 120.400 0.132 0.000 2.116 1160 K HA -0.036 4.280 4.320 -0.007 0.000 0.203 1160 K C 2.231 178.900 176.600 0.115 0.000 1.052 1160 K CA 0.597 57.015 56.287 0.219 0.000 0.952 1160 K CB -0.081 32.550 32.500 0.218 0.000 0.729 1160 K HN -0.019 nan 8.250 nan 0.000 0.446 1161 V N 2.058 121.966 119.914 -0.009 0.000 2.548 1161 V HA -0.207 3.909 4.120 -0.007 0.000 0.249 1161 V C 1.158 177.059 176.094 -0.322 0.000 1.055 1161 V CA 1.952 64.123 62.300 -0.215 0.000 1.065 1161 V CB -0.193 31.502 31.823 -0.213 0.000 0.681 1161 V HN 0.225 nan 8.190 nan 0.000 0.462 1162 D N -0.027 120.296 120.400 -0.130 0.000 2.117 1162 D HA -0.131 4.504 4.640 -0.007 0.000 0.197 1162 D C 2.392 178.643 176.300 -0.081 0.000 0.987 1162 D CA 1.312 55.264 54.000 -0.080 0.000 0.829 1162 D CB -0.224 40.584 40.800 0.013 0.000 0.961 1162 D HN 0.425 nan 8.370 nan 0.000 0.460 1163 R N -0.179 120.290 120.500 -0.052 0.000 2.148 1163 R HA -0.006 4.330 4.340 -0.007 0.000 0.223 1163 R C 2.149 178.192 176.300 -0.428 0.000 1.088 1163 R CA 0.184 56.264 56.100 -0.033 0.000 0.985 1163 R CB -0.190 30.244 30.300 0.223 0.000 0.880 1163 R HN 0.139 nan 8.270 nan 0.000 0.451 1164 L N 0.172 120.895 121.223 -0.832 0.000 1.994 1164 L HA -0.188 4.148 4.340 -0.007 0.000 0.208 1164 L C 1.766 178.296 176.870 -0.566 0.000 1.071 1164 L CA 1.952 55.964 54.840 -1.381 0.000 0.745 1164 L CB -0.551 40.971 42.059 -0.895 0.000 0.892 1164 L HN 0.199 nan 8.230 nan 0.000 0.431 1165 H N -1.618 117.257 119.070 -0.325 0.000 2.387 1165 H HA -0.129 4.423 4.556 -0.008 0.000 0.299 1165 H C 2.424 177.708 175.328 -0.074 0.000 1.090 1165 H CA 0.962 56.940 56.048 -0.118 0.000 1.332 1165 H CB 0.025 29.791 29.762 0.008 0.000 1.386 1165 H HN 0.509 nan 8.280 nan 0.000 0.516 1166 S N 0.301 116.024 115.700 0.039 0.000 2.359 1166 S HA -0.254 4.212 4.470 -0.007 0.000 0.224 1166 S C 2.080 176.680 174.600 -0.000 0.000 1.035 1166 S CA 1.357 59.585 58.200 0.045 0.000 1.018 1166 S CB -0.484 62.744 63.200 0.047 0.000 0.876 1166 S HN 0.497 nan 8.310 nan 0.000 0.448 1167 Y N 1.979 122.159 120.300 -0.201 0.000 2.145 1167 Y HA -0.053 4.492 4.550 -0.008 0.000 0.286 1167 Y C 1.953 177.699 175.900 -0.258 0.000 1.145 1167 Y CA 1.860 59.839 58.100 -0.202 0.000 1.148 1167 Y CB -0.493 37.776 38.460 -0.319 0.000 0.981 1167 Y HN 0.263 nan 8.280 nan 0.000 0.507 1168 L N 0.211 121.192 121.223 -0.403 0.000 2.127 1168 L HA -0.261 4.074 4.340 -0.007 0.000 0.211 1168 L C 2.263 178.735 176.870 -0.663 0.000 1.089 1168 L CA 1.761 56.170 54.840 -0.719 0.000 0.757 1168 L CB -0.729 40.609 42.059 -1.202 0.000 0.899 1168 L HN 0.312 nan 8.230 nan 0.000 0.434 1169 N N 0.549 119.072 118.700 -0.294 0.000 2.109 1169 N HA -0.136 4.599 4.740 -0.007 0.000 0.188 1169 N C 1.939 177.425 175.510 -0.040 0.000 1.034 1169 N CA 1.326 54.436 53.050 0.099 0.000 0.846 1169 N CB 0.024 38.714 38.487 0.337 0.000 1.010 1169 N HN 0.087 nan 8.380 nan 0.000 0.425 1170 R N -0.481 119.959 120.500 -0.100 0.000 2.189 1170 R HA 0.125 4.461 4.340 -0.007 0.000 0.223 1170 R C 1.159 177.335 176.300 -0.208 0.000 1.092 1170 R CA 1.014 57.049 56.100 -0.108 0.000 0.989 1170 R CB -0.067 30.198 30.300 -0.060 0.000 0.876 1170 R HN 0.208 nan 8.270 nan 0.000 0.457 1171 A N 0.969 123.539 122.820 -0.416 0.000 2.379 1171 A HA 0.092 4.408 4.320 -0.007 0.000 0.236 1171 A C -0.199 177.217 177.584 -0.280 0.000 1.272 1171 A CA -0.380 51.380 52.037 -0.461 0.000 0.886 1171 A CB 0.034 18.417 19.000 -1.028 0.000 0.962 1171 A HN 0.292 nan 8.150 nan 0.000 0.504 1172 N N -0.460 118.124 118.700 -0.194 0.000 2.740 1172 N HA -0.138 4.597 4.740 -0.007 0.000 0.248 1172 N C 0.661 176.105 175.510 -0.111 0.000 1.062 1172 N CA 1.208 54.192 53.050 -0.109 0.000 0.704 1172 N CB -0.679 37.765 38.487 -0.071 0.000 0.968 1172 N HN 0.500 nan 8.380 nan 0.000 0.547 1173 K N -0.950 119.338 120.400 -0.186 0.000 2.276 1173 K HA 0.164 4.479 4.320 -0.007 0.000 0.198 1173 K C 1.665 178.222 176.600 -0.072 0.000 1.052 1173 K CA 0.677 56.866 56.287 -0.162 0.000 0.984 1173 K CB -0.068 32.281 32.500 -0.251 0.000 0.836 1173 K HN 0.521 nan 8.250 nan 0.000 0.490 1174 Y N 0.766 121.039 120.300 -0.046 0.000 2.314 1174 Y HA -0.100 4.446 4.550 -0.006 0.000 0.293 1174 Y C 0.524 176.421 175.900 -0.006 0.000 1.129 1174 Y CA 0.360 58.461 58.100 0.001 0.000 1.201 1174 Y CB 0.482 38.960 38.460 0.031 0.000 0.999 1174 Y HN -0.024 nan 8.280 nan 0.000 0.541 1175 D N -1.888 118.583 120.400 0.119 0.000 2.763 1175 D HA 0.181 4.816 4.640 -0.007 0.000 0.235 1175 D C -2.477 173.827 176.300 0.007 0.000 1.334 1175 D CA -2.178 51.847 54.000 0.043 0.000 0.950 1175 D CB 1.890 42.696 40.800 0.010 0.000 1.433 1175 D HN -0.232 nan 8.370 nan 0.000 0.580 1176 P HA -0.121 nan 4.420 nan 0.000 0.220 1176 P C 0.911 178.201 177.300 -0.017 0.000 1.144 1176 P CA 0.889 63.981 63.100 -0.013 0.000 0.800 1176 P CB 0.429 32.125 31.700 -0.008 0.000 0.772 1177 K N -1.608 118.783 120.400 -0.015 0.000 2.418 1177 K HA 0.420 4.735 4.320 -0.007 0.000 0.195 1177 K C 1.203 177.791 176.600 -0.020 0.000 1.035 1177 K CA 0.676 56.953 56.287 -0.018 0.000 1.003 1177 K CB -0.204 32.285 32.500 -0.019 0.000 0.793 1177 K HN 0.434 nan 8.250 nan 0.000 0.494 1178 G N 0.552 109.339 108.800 -0.021 0.000 2.337 1178 G HA2 0.172 4.128 3.960 -0.007 0.000 0.298 1178 G HA3 0.172 4.128 3.960 -0.007 0.000 0.298 1178 G C -3.280 171.611 174.900 -0.016 0.000 1.335 1178 G CA -1.058 44.029 45.100 -0.021 0.000 0.875 1178 G HN -0.055 nan 8.290 nan 0.000 0.579 1179 P HA 0.304 nan 4.420 nan 0.000 0.271 1179 P C 0.961 178.240 177.300 -0.035 0.000 1.218 1179 P CA -0.204 62.905 63.100 0.014 0.000 0.780 1179 P CB 1.013 32.733 31.700 0.034 0.000 0.901 1180 I N -1.533 118.979 120.570 -0.098 0.000 3.968 1180 I HA 0.261 4.427 4.170 -0.007 0.000 0.328 1180 I C -0.152 175.692 176.117 -0.454 0.000 1.290 1180 I CA -0.132 60.977 61.300 -0.318 0.000 1.163 1180 I CB -0.114 37.588 38.000 -0.496 0.000 1.024 1180 I HN 0.070 nan 8.210 nan 0.000 0.413 1181 Y N 1.056 121.363 120.300 0.011 0.000 2.524 1181 Y HA 0.449 4.994 4.550 -0.008 0.000 0.344 1181 Y C 0.023 175.931 175.900 0.013 0.000 1.012 1181 Y CA -1.192 56.908 58.100 0.000 0.000 1.068 1181 Y CB 0.884 39.350 38.460 0.010 0.000 1.249 1181 Y HN -0.079 nan 8.280 nan 0.000 0.468 1182 N N 1.858 120.670 118.700 0.188 0.000 2.430 1182 N HA 0.014 4.750 4.740 -0.007 0.000 0.265 1182 N C 0.216 175.789 175.510 0.105 0.000 1.100 1182 N CA 0.155 53.270 53.050 0.107 0.000 0.961 1182 N CB 0.731 39.266 38.487 0.078 0.000 1.075 1182 N HN 0.670 nan 8.380 nan 0.000 0.478 1183 D N 2.649 123.100 120.400 0.086 0.000 2.265 1183 D HA -0.160 4.476 4.640 -0.007 0.000 0.208 1183 D C 0.934 177.262 176.300 0.046 0.000 0.977 1183 D CA 1.163 55.204 54.000 0.069 0.000 0.871 1183 D CB 0.339 41.175 40.800 0.060 0.000 0.925 1183 D HN 0.717 nan 8.370 nan 0.000 0.485 1184 Q N 0.081 119.907 119.800 0.044 0.000 2.364 1184 Q HA -0.049 4.287 4.340 -0.007 0.000 0.207 1184 Q C 1.138 177.150 176.000 0.021 0.000 0.970 1184 Q CA 0.576 56.399 55.803 0.034 0.000 0.888 1184 Q CB 0.081 28.840 28.738 0.034 0.000 0.951 1184 Q HN 0.235 nan 8.270 nan 0.000 0.469 1185 N N -0.272 118.440 118.700 0.021 0.000 2.299 1185 N HA 0.105 4.841 4.740 -0.007 0.000 0.187 1185 N C -0.075 175.401 175.510 -0.058 0.000 1.099 1185 N CA 0.341 53.387 53.050 -0.006 0.000 0.867 1185 N CB 0.471 38.975 38.487 0.029 0.000 0.974 1185 N HN 0.234 nan 8.380 nan 0.000 0.477 1186 M N 1.439 121.013 119.600 -0.044 0.000 2.077 1186 M HA 0.199 4.675 4.480 -0.007 0.000 0.348 1186 M C -0.295 175.964 176.300 -0.069 0.000 1.252 1186 M CA -0.344 54.910 55.300 -0.077 0.000 1.096 1186 M CB 1.602 34.179 32.600 -0.038 0.000 1.568 1186 M HN -0.329 nan 8.290 nan 0.000 0.456 1187 V N 5.672 125.508 119.914 -0.130 0.000 2.585 1187 V HA 0.139 4.254 4.120 -0.007 0.000 0.296 1187 V C 0.266 176.352 176.094 -0.014 0.000 1.035 1187 V CA 0.351 62.578 62.300 -0.123 0.000 1.084 1187 V CB 0.469 32.105 31.823 -0.311 0.000 0.953 1187 V HN 0.669 nan 8.190 nan 0.000 0.483 1188 I N 4.311 124.910 120.570 0.049 0.000 2.466 1188 I HA 0.220 4.386 4.170 -0.007 0.000 0.279 1188 I C 0.328 176.522 176.117 0.128 0.000 1.033 1188 I CA -0.014 61.333 61.300 0.077 0.000 1.123 1188 I CB 1.631 39.674 38.000 0.072 0.000 1.237 1188 I HN 0.641 nan 8.210 nan 0.000 0.460 1189 S N 3.856 119.643 115.700 0.145 0.000 2.564 1189 S HA 0.131 4.596 4.470 -0.007 0.000 0.278 1189 S C 0.390 175.075 174.600 0.140 0.000 1.333 1189 S CA -0.047 58.263 58.200 0.184 0.000 1.048 1189 S CB 0.466 63.789 63.200 0.205 0.000 0.900 1189 S HN 0.519 nan 8.310 nan 0.000 0.505 1190 D N 2.163 122.645 120.400 0.135 0.000 2.593 1190 D HA 0.133 4.768 4.640 -0.007 0.000 0.241 1190 D C 1.400 177.753 176.300 0.088 0.000 1.257 1190 D CA 0.133 54.210 54.000 0.128 0.000 0.828 1190 D CB 0.274 41.167 40.800 0.155 0.000 1.049 1190 D HN 0.610 nan 8.370 nan 0.000 0.490 1191 S N -0.612 115.095 115.700 0.012 0.000 2.419 1191 S HA -0.137 4.329 4.470 -0.007 0.000 0.235 1191 S C 2.115 176.610 174.600 -0.175 0.000 1.019 1191 S CA 1.159 59.267 58.200 -0.154 0.000 0.982 1191 S CB -0.426 62.601 63.200 -0.289 0.000 0.789 1191 S HN 0.278 nan 8.310 nan 0.000 0.490 1192 G N 0.589 109.358 108.800 -0.051 0.000 2.414 1192 G HA2 -0.190 3.765 3.960 -0.007 0.000 0.215 1192 G HA3 -0.190 3.765 3.960 -0.007 0.000 0.215 1192 G C 1.271 176.185 174.900 0.023 0.000 1.188 1192 G CA 0.841 45.928 45.100 -0.020 0.000 0.783 1192 G HN 0.575 nan 8.290 nan 0.000 0.537 1193 Y N 1.263 121.561 120.300 -0.003 0.000 2.181 1193 Y HA -0.022 4.524 4.550 -0.008 0.000 0.288 1193 Y C 2.525 178.449 175.900 0.041 0.000 1.146 1193 Y CA 1.408 59.541 58.100 0.055 0.000 1.164 1193 Y CB -0.283 38.211 38.460 0.058 0.000 0.982 1193 Y HN 0.103 nan 8.280 nan 0.000 0.515 1194 L N -0.882 120.275 121.223 -0.110 0.000 2.141 1194 L HA -0.201 4.135 4.340 -0.007 0.000 0.209 1194 L C 2.229 178.918 176.870 -0.303 0.000 1.094 1194 L CA 0.706 55.411 54.840 -0.225 0.000 0.763 1194 L CB -0.527 41.462 42.059 -0.118 0.000 0.908 1194 L HN 0.258 nan 8.230 nan 0.000 0.437 1195 L N -0.481 120.568 121.223 -0.290 0.000 2.109 1195 L HA -0.146 4.189 4.340 -0.007 0.000 0.207 1195 L C 2.865 179.507 176.870 -0.380 0.000 1.086 1195 L CA 1.788 56.431 54.840 -0.329 0.000 0.760 1195 L CB -0.524 41.342 42.059 -0.321 0.000 0.910 1195 L HN 0.344 nan 8.230 nan 0.000 0.437 1196 S N -0.989 114.518 115.700 -0.322 0.000 2.383 1196 S HA -0.259 4.207 4.470 -0.007 0.000 0.227 1196 S C 2.112 176.336 174.600 -0.626 0.000 1.026 1196 S CA 1.226 59.234 58.200 -0.319 0.000 0.981 1196 S CB -0.456 62.706 63.200 -0.064 0.000 0.818 1196 S HN 0.425 nan 8.310 nan 0.000 0.472 1197 K N 1.488 121.455 120.400 -0.722 0.000 2.097 1197 K HA -0.003 4.313 4.320 -0.007 0.000 0.206 1197 K C 2.298 178.495 176.600 -0.671 0.000 1.049 1197 K CA 1.136 56.837 56.287 -0.977 0.000 0.933 1197 K CB -0.619 31.532 32.500 -0.582 0.000 0.717 1197 K HN 0.469 nan 8.250 nan 0.000 0.442 1198 A N 1.345 123.882 122.820 -0.472 0.000 1.898 1198 A HA -0.105 4.210 4.320 -0.007 0.000 0.216 1198 A C 2.113 179.459 177.584 -0.396 0.000 1.181 1198 A CA 1.159 52.981 52.037 -0.359 0.000 0.620 1198 A CB -0.570 18.247 19.000 -0.305 0.000 0.819 1198 A HN 0.305 nan 8.150 nan 0.000 0.442 1199 L N -0.679 120.260 121.223 -0.474 0.000 2.083 1199 L HA -0.207 4.128 4.340 -0.007 0.000 0.209 1199 L C 3.063 179.689 176.870 -0.405 0.000 1.083 1199 L CA 1.061 55.625 54.840 -0.460 0.000 0.752 1199 L CB -0.488 41.257 42.059 -0.522 0.000 0.899 1199 L HN 0.439 nan 8.230 nan 0.000 0.433 1200 A N -0.254 122.249 122.820 -0.527 0.000 1.933 1200 A HA -0.237 4.078 4.320 -0.007 0.000 0.218 1200 A C 2.294 179.672 177.584 -0.343 0.000 1.175 1200 A CA 1.779 53.518 52.037 -0.497 0.000 0.628 1200 A CB -0.349 18.069 19.000 -0.970 0.000 0.814 1200 A HN 0.187 nan 8.150 nan 0.000 0.444 1201 K N 0.085 120.277 120.400 -0.345 0.000 2.057 1201 K HA -0.004 4.312 4.320 -0.007 0.000 0.207 1201 K C 2.042 178.530 176.600 -0.186 0.000 1.049 1201 K CA 1.478 57.632 56.287 -0.221 0.000 0.931 1201 K CB -0.506 31.880 32.500 -0.191 0.000 0.714 1201 K HN 0.376 nan 8.250 nan 0.000 0.440 1202 A N -0.161 122.534 122.820 -0.209 0.000 1.930 1202 A HA -0.102 4.214 4.320 -0.007 0.000 0.217 1202 A C 2.265 179.753 177.584 -0.161 0.000 1.175 1202 A CA 1.696 53.623 52.037 -0.183 0.000 0.627 1202 A CB -0.674 18.204 19.000 -0.205 0.000 0.815 1202 A HN 0.102 nan 8.150 nan 0.000 0.443 1203 V N 0.195 120.005 119.914 -0.173 0.000 2.343 1203 V HA -0.278 3.838 4.120 -0.007 0.000 0.247 1203 V C 2.523 178.583 176.094 -0.056 0.000 1.051 1203 V CA 2.282 64.510 62.300 -0.119 0.000 1.036 1203 V CB -0.723 31.021 31.823 -0.133 0.000 0.654 1203 V HN 0.788 nan 8.190 nan 0.000 0.451 1204 E N 0.050 120.193 120.200 -0.096 0.000 2.077 1204 E HA -0.259 4.087 4.350 -0.007 0.000 0.193 1204 E C 2.411 178.943 176.600 -0.114 0.000 0.989 1204 E CA 1.577 57.929 56.400 -0.080 0.000 0.800 1204 E CB -0.180 29.469 29.700 -0.085 0.000 0.746 1204 E HN 0.549 nan 8.360 nan 0.000 0.452 1205 S N -0.791 114.799 115.700 -0.183 0.000 2.383 1205 S HA -0.195 4.270 4.470 -0.007 0.000 0.227 1205 S C 1.874 176.281 174.600 -0.321 0.000 1.026 1205 S CA 1.111 59.100 58.200 -0.353 0.000 0.981 1205 S CB -0.475 62.414 63.200 -0.518 0.000 0.818 1205 S HN 0.561 nan 8.310 nan 0.000 0.472 1206 Y N 1.806 121.931 120.300 -0.291 0.000 2.200 1206 Y HA -0.005 4.541 4.550 -0.007 0.000 0.290 1206 Y C 2.127 177.963 175.900 -0.108 0.000 1.137 1206 Y CA 1.917 59.887 58.100 -0.217 0.000 1.163 1206 Y CB -0.239 38.106 38.460 -0.191 0.000 0.988 1206 Y HN 0.212 nan 8.280 nan 0.000 0.518 1207 K N -0.442 119.978 120.400 0.034 0.000 2.148 1207 K HA -0.117 4.198 4.320 -0.007 0.000 0.204 1207 K C 2.156 178.704 176.600 -0.086 0.000 1.050 1207 K CA 1.382 57.664 56.287 -0.008 0.000 0.942 1207 K CB -0.214 32.310 32.500 0.040 0.000 0.724 1207 K HN 0.170 nan 8.250 nan 0.000 0.446 1208 S N 1.502 117.134 115.700 -0.114 0.000 2.442 1208 S HA -0.136 4.330 4.470 -0.007 0.000 0.236 1208 S C 1.428 175.965 174.600 -0.105 0.000 1.007 1208 S CA 1.125 59.260 58.200 -0.108 0.000 0.965 1208 S CB -0.083 63.033 63.200 -0.139 0.000 0.773 1208 S HN 0.359 nan 8.310 nan 0.000 0.504 1209 Q N 0.537 120.251 119.800 -0.143 0.000 2.360 1209 Q HA 0.114 4.450 4.340 -0.007 0.000 0.202 1209 Q C 0.749 176.702 176.000 -0.079 0.000 0.915 1209 Q CA -0.010 55.748 55.803 -0.074 0.000 0.943 1209 Q CB 0.204 28.932 28.738 -0.016 0.000 1.064 1209 Q HN 0.694 nan 8.270 nan 0.000 0.511 1218 P HA 0.428 nan 4.420 nan 0.000 0.272 1218 P C 0.251 177.492 177.300 -0.098 0.000 1.240 1218 P CA -0.443 62.612 63.100 -0.075 0.000 0.791 1218 P CB 0.672 32.294 31.700 -0.129 0.000 0.978 1219 I N -2.770 117.716 120.570 -0.141 0.000 3.264 1219 I HA 0.660 4.826 4.170 -0.007 0.000 0.309 1219 I C -1.025 175.010 176.117 -0.136 0.000 1.099 1219 I CA -1.460 59.780 61.300 -0.101 0.000 0.989 1219 I CB 1.957 39.921 38.000 -0.059 0.000 1.250 1219 I HN -0.098 nan 8.210 nan 0.000 0.478 1220 V N 2.422 122.303 119.914 -0.054 0.000 2.398 1220 V HA 0.642 4.757 4.120 -0.007 0.000 0.286 1220 V C 0.397 176.534 176.094 0.072 0.000 1.026 1220 V CA -0.459 61.816 62.300 -0.041 0.000 0.868 1220 V CB 1.143 32.974 31.823 0.014 0.000 0.982 1220 V HN 0.855 nan 8.190 nan 0.000 0.443 1221 A N 5.373 128.184 122.820 -0.015 0.000 2.252 1221 A HA 0.751 5.067 4.320 -0.007 0.000 0.309 1221 A C -0.770 176.852 177.584 0.062 0.000 1.285 1221 A CA -0.271 51.785 52.037 0.032 0.000 0.900 1221 A CB -0.032 18.924 19.000 -0.072 0.000 1.157 1221 A HN 0.592 nan 8.150 nan 0.000 0.536 1222 F N 3.594 123.482 119.950 -0.103 0.000 2.421 1222 F HA 0.300 4.823 4.527 -0.006 0.000 0.358 1222 F C 0.322 175.991 175.800 -0.219 0.000 1.115 1222 F CA -0.829 57.086 58.000 -0.143 0.000 1.160 1222 F CB 0.986 39.923 39.000 -0.105 0.000 1.123 1222 F HN 0.332 nan 8.300 nan 0.000 0.508 1223 I N 6.092 126.542 120.570 -0.200 0.000 2.301 1223 I HA 0.233 4.399 4.170 -0.007 0.000 0.292 1223 I C 0.048 176.008 176.117 -0.262 0.000 1.046 1223 I CA -0.541 60.611 61.300 -0.247 0.000 1.282 1223 I CB 0.277 38.103 38.000 -0.290 0.000 1.409 1223 I HN 0.259 nan 8.210 nan 0.000 0.484 1224 V N 3.894 123.662 119.914 -0.244 0.000 2.919 1224 V HA 0.547 4.663 4.120 -0.007 0.000 0.316 1224 V C -0.083 175.852 176.094 -0.264 0.000 1.077 1224 V CA -1.022 61.151 62.300 -0.211 0.000 0.977 1224 V CB 1.883 33.637 31.823 -0.115 0.000 1.039 1224 V HN 0.793 nan 8.190 nan 0.000 0.441 1225 Q N 1.584 121.265 119.800 -0.198 0.000 2.373 1225 Q HA 0.300 4.635 4.340 -0.007 0.000 0.255 1225 Q C -0.101 175.833 176.000 -0.109 0.000 0.980 1225 Q CA -0.387 55.309 55.803 -0.178 0.000 0.882 1225 Q CB 0.703 29.375 28.738 -0.110 0.000 1.249 1225 Q HN 0.777 nan 8.270 nan 0.000 0.438 1226 R N 3.016 123.459 120.500 -0.094 0.000 2.537 1226 R HA 0.046 4.381 4.340 -0.007 0.000 0.280 1226 R C -0.044 176.256 176.300 0.001 0.000 1.058 1226 R CA -0.096 55.976 56.100 -0.048 0.000 1.057 1226 R CB 0.225 30.496 30.300 -0.048 0.000 0.973 1226 R HN 0.781 nan 8.270 nan 0.000 0.438 1227 N N 1.109 119.840 118.700 0.052 0.000 2.738 1227 N HA -0.187 4.548 4.740 -0.007 0.000 0.249 1227 N C -0.663 175.044 175.510 0.329 0.000 1.047 1227 N CA 0.972 54.134 53.050 0.187 0.000 0.707 1227 N CB -0.953 37.518 38.487 -0.028 0.000 0.937 1227 N HN 0.640 nan 8.380 nan 0.000 0.545 1228 E N 0.641 120.951 120.200 0.184 0.000 2.366 1228 E HA 0.084 4.429 4.350 -0.007 0.000 0.266 1228 E C 1.121 177.719 176.600 -0.004 0.000 1.015 1228 E CA 0.184 56.624 56.400 0.066 0.000 0.906 1228 E CB 0.551 30.231 29.700 -0.034 0.000 0.979 1228 E HN 0.243 nan 8.360 nan 0.000 0.443 1229 R N 3.370 123.871 120.500 0.002 0.000 2.210 1229 R HA 0.077 4.412 4.340 -0.007 0.000 0.203 1229 R C 0.928 177.130 176.300 -0.163 0.000 1.010 1229 R CA 0.587 56.619 56.100 -0.113 0.000 1.008 1229 R CB 0.052 30.394 30.300 0.070 0.000 0.923 1229 R HN 0.530 nan 8.270 nan 0.000 0.469 1230 N N 1.437 120.056 118.700 -0.135 0.000 2.466 1230 N HA -0.022 4.714 4.740 -0.007 0.000 0.251 1230 N C 1.061 176.404 175.510 -0.279 0.000 1.164 1230 N CA -0.216 52.748 53.050 -0.143 0.000 0.888 1230 N CB 0.590 39.017 38.487 -0.099 0.000 1.177 1230 N HN 0.009 nan 8.380 nan 0.000 0.498 1231 V N 0.450 120.036 119.914 -0.546 0.000 2.427 1231 V HA -0.189 3.926 4.120 -0.007 0.000 0.248 1231 V C 1.302 177.009 176.094 -0.646 0.000 1.051 1231 V CA 1.724 63.640 62.300 -0.640 0.000 1.048 1231 V CB -0.559 30.795 31.823 -0.782 0.000 0.666 1231 V HN 0.320 nan 8.190 nan 0.000 0.456 1232 F N 1.041 120.875 119.950 -0.194 0.000 2.216 1232 F HA -0.073 4.451 4.527 -0.006 0.000 0.300 1232 F C 2.177 177.937 175.800 -0.067 0.000 1.085 1232 F CA 1.666 59.575 58.000 -0.152 0.000 1.326 1232 F CB -1.114 37.772 39.000 -0.191 0.000 1.027 1232 F HN 0.336 nan 8.300 nan 0.000 0.497 1233 D N 0.028 120.460 120.400 0.053 0.000 2.117 1233 D HA -0.162 4.474 4.640 -0.007 0.000 0.198 1233 D C 1.992 178.318 176.300 0.042 0.000 0.982 1233 D CA 1.425 55.471 54.000 0.077 0.000 0.828 1233 D CB -0.120 40.721 40.800 0.068 0.000 0.967 1233 D HN 0.350 nan 8.370 nan 0.000 0.464 1234 Q N -0.571 119.225 119.800 -0.007 0.000 2.123 1234 Q HA -0.069 4.266 4.340 -0.007 0.000 0.199 1234 Q C 2.029 178.041 176.000 0.020 0.000 0.966 1234 Q CA 0.700 56.541 55.803 0.063 0.000 0.845 1234 Q CB 0.062 28.814 28.738 0.022 0.000 0.907 1234 Q HN 0.090 nan 8.270 nan 0.000 0.439 1235 K N 0.550 120.912 120.400 -0.062 0.000 2.152 1235 K HA -0.116 4.200 4.320 -0.007 0.000 0.206 1235 K C 2.030 178.617 176.600 -0.020 0.000 1.048 1235 K CA 0.777 57.017 56.287 -0.078 0.000 0.933 1235 K CB -0.465 32.021 32.500 -0.024 0.000 0.721 1235 K HN 0.103 nan 8.250 nan 0.000 0.447 1236 V N 1.728 121.660 119.914 0.031 0.000 2.392 1236 V HA -0.236 3.879 4.120 -0.007 0.000 0.249 1236 V C 2.346 178.477 176.094 0.063 0.000 1.059 1236 V CA 1.472 63.800 62.300 0.046 0.000 1.051 1236 V CB -0.412 31.447 31.823 0.060 0.000 0.658 1236 V HN 0.218 nan 8.190 nan 0.000 0.455 1237 L N -0.608 120.677 121.223 0.104 0.000 2.072 1237 L HA -0.137 4.199 4.340 -0.007 0.000 0.205 1237 L C 2.535 179.508 176.870 0.172 0.000 1.079 1237 L CA 1.515 56.457 54.840 0.170 0.000 0.752 1237 L CB -0.694 41.561 42.059 0.327 0.000 0.906 1237 L HN 0.370 nan 8.230 nan 0.000 0.436 1238 E N 0.529 120.738 120.200 0.015 0.000 2.051 1238 E HA -0.202 4.143 4.350 -0.007 0.000 0.192 1238 E C 2.360 178.933 176.600 -0.045 0.000 0.991 1238 E CA 1.118 57.420 56.400 -0.162 0.000 0.799 1238 E CB -0.131 29.311 29.700 -0.431 0.000 0.748 1238 E HN 0.428 nan 8.360 nan 0.000 0.449 1239 L N 1.119 122.325 121.223 -0.029 0.000 2.046 1239 L HA -0.174 4.162 4.340 -0.007 0.000 0.208 1239 L C 2.078 178.970 176.870 0.037 0.000 1.077 1239 L CA 0.759 55.597 54.840 -0.005 0.000 0.747 1239 L CB -0.506 41.548 42.059 -0.008 0.000 0.896 1239 L HN 0.126 nan 8.230 nan 0.000 0.432 1240 N N 0.300 119.046 118.700 0.076 0.000 2.188 1240 N HA -0.122 4.613 4.740 -0.007 0.000 0.184 1240 N C 1.968 177.595 175.510 0.194 0.000 1.018 1240 N CA 1.053 54.182 53.050 0.131 0.000 0.858 1240 N CB -0.334 38.257 38.487 0.173 0.000 0.989 1240 N HN 0.244 nan 8.380 nan 0.000 0.426 1241 L N 0.298 121.631 121.223 0.184 0.000 2.042 1241 L HA -0.139 4.196 4.340 -0.007 0.000 0.210 1241 L C 2.221 179.191 176.870 0.168 0.000 1.076 1241 L CA 0.818 55.787 54.840 0.215 0.000 0.749 1241 L CB -0.245 41.892 42.059 0.130 0.000 0.893 1241 L HN 0.245 nan 8.230 nan 0.000 0.432 1242 L N -0.405 120.869 121.223 0.085 0.000 2.034 1242 L HA -0.116 4.219 4.340 -0.007 0.000 0.203 1242 L C 2.557 179.441 176.870 0.024 0.000 1.074 1242 L CA 1.817 56.684 54.840 0.045 0.000 0.748 1242 L CB -0.816 41.249 42.059 0.011 0.000 0.905 1242 L HN 0.292 nan 8.230 nan 0.000 0.439 1243 E N 0.118 120.323 120.200 0.008 0.000 2.152 1243 E HA -0.145 4.200 4.350 -0.007 0.000 0.192 1243 E C 1.898 178.449 176.600 -0.081 0.000 0.983 1243 E CA 0.780 57.164 56.400 -0.027 0.000 0.818 1243 E CB 0.080 29.767 29.700 -0.023 0.000 0.758 1243 E HN 0.461 nan 8.360 nan 0.000 0.467 1244 K N -0.595 119.728 120.400 -0.129 0.000 2.348 1244 K HA 0.144 4.459 4.320 -0.007 0.000 0.194 1244 K C 1.059 177.209 176.600 -0.750 0.000 1.052 1244 K CA 0.266 56.299 56.287 -0.422 0.000 1.004 1244 K CB 0.342 32.544 32.500 -0.495 0.000 0.873 1244 K HN 0.129 nan 8.250 nan 0.000 0.523 1245 F N 0.084 120.045 119.950 0.018 0.000 2.772 1245 F HA 0.251 4.774 4.527 -0.007 0.000 0.316 1245 F C 0.978 176.773 175.800 -0.008 0.000 1.114 1245 F CA -0.260 57.738 58.000 -0.003 0.000 1.191 1245 F CB 0.810 39.787 39.000 -0.037 0.000 1.065 1245 F HN 0.064 nan 8.300 nan 0.000 0.534 1246 G N 1.790 110.642 108.800 0.086 0.000 2.361 1246 G HA2 -0.285 3.671 3.960 -0.007 0.000 0.294 1246 G HA3 -0.285 3.671 3.960 -0.007 0.000 0.294 1246 G C 0.029 174.968 174.900 0.065 0.000 1.004 1246 G CA 0.843 45.977 45.100 0.056 0.000 0.870 1246 G HN 0.271 nan 8.290 nan 0.000 0.510 1247 T N 0.027 114.631 114.554 0.084 0.000 2.792 1247 T HA 0.549 4.894 4.350 -0.007 0.000 0.280 1247 T C 0.372 175.094 174.700 0.036 0.000 0.990 1247 T CA -0.647 61.484 62.100 0.053 0.000 0.960 1247 T CB 1.706 70.604 68.868 0.049 0.000 0.939 1247 T HN 0.266 nan 8.240 nan 0.000 0.439 1248 K N 1.869 122.278 120.400 0.015 0.000 2.102 1248 K HA 0.730 5.045 4.320 -0.007 0.000 0.244 1248 K C 0.319 176.924 176.600 0.008 0.000 1.021 1248 K CA -0.457 55.833 56.287 0.004 0.000 0.913 1248 K CB 0.665 33.163 32.500 -0.003 0.000 1.062 1248 K HN 0.757 nan 8.250 nan 0.000 0.485 1249 S N -1.744 113.951 115.700 -0.007 0.000 2.625 1249 S HA 0.766 5.232 4.470 -0.007 0.000 0.271 1249 S C -1.011 173.566 174.600 -0.037 0.000 1.161 1249 S CA -0.861 57.348 58.200 0.015 0.000 0.820 1249 S CB 0.889 64.120 63.200 0.052 0.000 1.137 1249 S HN 0.507 nan 8.310 nan 0.000 0.470 1250 V N -1.573 118.337 119.914 -0.006 0.000 3.078 1250 V HA 0.778 4.893 4.120 -0.007 0.000 0.311 1250 V C -1.076 175.001 176.094 -0.027 0.000 1.138 1250 V CA -1.268 61.010 62.300 -0.037 0.000 1.007 1250 V CB 1.746 33.561 31.823 -0.014 0.000 1.045 1250 V HN 1.032 nan 8.190 nan 0.000 0.432 1251 R N 2.162 122.625 120.500 -0.062 0.000 2.295 1251 R HA 0.810 5.145 4.340 -0.007 0.000 0.324 1251 R C -1.380 174.898 176.300 -0.037 0.000 0.968 1251 R CA -0.486 55.584 56.100 -0.050 0.000 0.837 1251 R CB 1.576 31.814 30.300 -0.103 0.000 1.133 1251 R HN 0.726 nan 8.270 nan 0.000 0.450 1252 L N 2.300 123.500 121.223 -0.037 0.000 2.385 1252 L HA 0.456 4.791 4.340 -0.007 0.000 0.273 1252 L C 0.564 177.370 176.870 -0.107 0.000 0.990 1252 L CA -0.919 53.891 54.840 -0.050 0.000 0.821 1252 L CB 2.186 44.230 42.059 -0.024 0.000 1.279 1252 L HN 0.668 nan 8.230 nan 0.000 0.412 1253 T N -2.295 112.200 114.554 -0.098 0.000 2.824 1253 T HA 0.328 4.673 4.350 -0.007 0.000 0.277 1253 T C 1.003 175.644 174.700 -0.098 0.000 0.975 1253 T CA -0.327 61.674 62.100 -0.165 0.000 0.966 1253 T CB 0.662 69.474 68.868 -0.093 0.000 1.054 1253 T HN 0.260 nan 8.240 nan 0.000 0.533 1254 F N 0.696 120.607 119.950 -0.065 0.000 2.269 1254 F HA 0.014 4.536 4.527 -0.007 0.000 0.301 1254 F C 2.219 177.993 175.800 -0.043 0.000 1.082 1254 F CA 0.797 58.764 58.000 -0.054 0.000 1.360 1254 F CB -0.837 38.100 39.000 -0.103 0.000 1.041 1254 F HN 0.544 nan 8.300 nan 0.000 0.512 1255 D N 0.119 120.596 120.400 0.127 0.000 2.117 1255 D HA -0.153 4.483 4.640 -0.007 0.000 0.198 1255 D C 1.822 178.145 176.300 0.037 0.000 0.982 1255 D CA 1.380 55.416 54.000 0.060 0.000 0.828 1255 D CB -0.375 40.443 40.800 0.030 0.000 0.967 1255 D HN 0.242 nan 8.370 nan 0.000 0.464 1256 D N 0.354 120.772 120.400 0.030 0.000 2.144 1256 D HA -0.092 4.543 4.640 -0.007 0.000 0.199 1256 D C 2.326 178.645 176.300 0.031 0.000 0.984 1256 D CA 0.371 54.384 54.000 0.020 0.000 0.834 1256 D CB -0.185 40.619 40.800 0.006 0.000 0.955 1256 D HN 0.079 nan 8.370 nan 0.000 0.465 1257 V N 1.372 121.323 119.914 0.061 0.000 2.295 1257 V HA -0.259 3.857 4.120 -0.007 0.000 0.246 1257 V C 1.969 178.028 176.094 -0.059 0.000 1.049 1257 V CA 1.755 64.100 62.300 0.075 0.000 1.024 1257 V CB -0.658 31.286 31.823 0.203 0.000 0.648 1257 V HN 0.183 nan 8.190 nan 0.000 0.447 1258 N N -0.106 118.561 118.700 -0.055 0.000 2.142 1258 N HA -0.162 4.574 4.740 -0.007 0.000 0.186 1258 N C 1.438 176.885 175.510 -0.106 0.000 1.023 1258 N CA 1.452 54.420 53.050 -0.137 0.000 0.852 1258 N CB -0.088 38.362 38.487 -0.060 0.000 0.998 1258 N HN 0.486 nan 8.380 nan 0.000 0.424 1259 D N 0.246 120.623 120.400 -0.038 0.000 2.213 1259 D HA -0.012 4.623 4.640 -0.007 0.000 0.205 1259 D C 1.193 177.501 176.300 0.014 0.000 0.961 1259 D CA 1.097 55.090 54.000 -0.012 0.000 0.853 1259 D CB 0.133 40.935 40.800 0.003 0.000 0.967 1259 D HN 0.256 nan 8.370 nan 0.000 0.496 1260 K N -0.404 120.012 120.400 0.026 0.000 2.360 1260 K HA 0.252 4.567 4.320 -0.007 0.000 0.196 1260 K C 0.537 177.211 176.600 0.124 0.000 1.049 1260 K CA 0.026 56.356 56.287 0.071 0.000 1.049 1260 K CB 1.406 33.941 32.500 0.058 0.000 0.881 1260 K HN 0.028 nan 8.250 nan 0.000 0.542 1261 L N 1.234 122.520 121.223 0.105 0.000 2.334 1261 L HA 0.563 4.898 4.340 -0.007 0.000 0.270 1261 L C -0.489 176.589 176.870 0.346 0.000 1.018 1261 L CA -1.322 53.634 54.840 0.193 0.000 0.811 1261 L CB 0.933 43.155 42.059 0.272 0.000 1.271 1261 L HN -0.061 nan 8.230 nan 0.000 0.443 1262 F N -0.143 120.050 119.950 0.405 0.000 2.662 1262 F HA 0.740 5.263 4.527 -0.008 0.000 0.312 1262 F C -1.309 174.757 175.800 0.442 0.000 1.113 1262 F CA -1.104 57.167 58.000 0.451 0.000 0.951 1262 F CB 1.176 40.321 39.000 0.242 0.000 1.344 1262 F HN 0.136 nan 8.300 nan 0.000 0.462 1263 I N 1.853 122.763 120.570 0.565 0.000 2.441 1263 I HA 0.228 4.394 4.170 -0.007 0.000 0.295 1263 I C -0.893 175.482 176.117 0.431 0.000 0.994 1263 I CA -0.790 60.664 61.300 0.256 0.000 1.144 1263 I CB 1.624 39.633 38.000 0.016 0.000 1.314 1263 I HN 0.626 nan 8.210 nan 0.000 0.445 1264 D N 4.586 125.197 120.400 0.352 0.000 2.339 1264 D HA 0.078 4.713 4.640 -0.007 0.000 0.256 1264 D C 0.961 177.343 176.300 0.137 0.000 1.214 1264 D CA 0.431 54.610 54.000 0.298 0.000 0.877 1264 D CB 1.434 42.403 40.800 0.282 0.000 1.111 1264 D HN 0.754 nan 8.370 nan 0.000 0.478 1265 D N 3.479 123.977 120.400 0.163 0.000 2.182 1265 D HA -0.229 4.407 4.640 -0.007 0.000 0.201 1265 D C 1.863 178.291 176.300 0.213 0.000 0.986 1265 D CA 2.417 56.530 54.000 0.189 0.000 0.847 1265 D CB -0.446 40.448 40.800 0.157 0.000 0.942 1265 D HN 0.557 nan 8.370 nan 0.000 0.467 1266 K N -0.078 120.398 120.400 0.127 0.000 2.167 1266 K HA 0.081 4.397 4.320 -0.007 0.000 0.203 1266 K C 2.442 179.096 176.600 0.091 0.000 1.052 1266 K CA 2.021 58.374 56.287 0.110 0.000 0.956 1266 K CB -0.759 31.775 32.500 0.056 0.000 0.735 1266 K HN 0.711 nan 8.250 nan 0.000 0.451 1267 T N -5.730 108.810 114.554 -0.024 0.000 2.975 1267 T HA 0.375 4.720 4.350 -0.007 0.000 0.257 1267 T C 1.799 176.168 174.700 -0.552 0.000 1.003 1267 T CA 1.198 63.186 62.100 -0.186 0.000 0.932 1267 T CB 0.528 69.299 68.868 -0.162 0.000 1.087 1267 T HN 1.312 nan 8.240 nan 0.000 0.512 1268 G N 2.008 110.310 108.800 -0.830 0.000 2.184 1268 G HA2 -0.283 3.672 3.960 -0.007 0.000 0.264 1268 G HA3 -0.283 3.672 3.960 -0.007 0.000 0.264 1268 G C 0.038 174.654 174.900 -0.474 0.000 0.975 1268 G CA 0.348 44.597 45.100 -1.418 0.000 0.642 1268 G HN 0.692 nan 8.290 nan 0.000 0.536 1269 K N -0.247 120.026 120.400 -0.211 0.000 2.382 1269 K HA 0.421 4.737 4.320 -0.007 0.000 0.275 1269 K C 0.067 176.512 176.600 -0.257 0.000 1.009 1269 K CA -0.511 55.714 56.287 -0.104 0.000 0.970 1269 K CB 1.015 33.511 32.500 -0.007 0.000 0.934 1269 K HN 0.149 nan 8.250 nan 0.000 0.479 1270 L N 4.253 125.190 121.223 -0.476 0.000 2.275 1270 L HA 0.415 4.750 4.340 -0.007 0.000 0.288 1270 L C -1.331 175.024 176.870 -0.858 0.000 1.046 1270 L CA 0.236 54.771 54.840 -0.508 0.000 0.805 1270 L CB 0.097 41.940 42.059 -0.360 0.000 1.193 1270 L HN 0.406 nan 8.230 nan 0.000 0.426 1271 F N 4.468 124.111 119.950 -0.511 0.000 2.588 1271 F HA 0.532 5.054 4.527 -0.008 0.000 0.314 1271 F C -0.090 175.448 175.800 -0.437 0.000 1.069 1271 F CA -0.739 56.928 58.000 -0.556 0.000 0.931 1271 F CB 1.542 40.010 39.000 -0.887 0.000 1.260 1271 F HN 0.164 nan 8.300 nan 0.000 0.465 1272 I N 2.578 123.153 120.570 0.008 0.000 2.325 1272 I HA 0.266 4.432 4.170 -0.007 0.000 0.291 1272 I C 1.372 177.614 176.117 0.208 0.000 1.019 1272 I CA -0.266 61.081 61.300 0.079 0.000 1.302 1272 I CB 1.512 39.551 38.000 0.065 0.000 1.401 1272 I HN 0.726 nan 8.210 nan 0.000 0.485 1273 R N 4.319 125.011 120.500 0.322 0.000 2.122 1273 R HA -0.195 4.140 4.340 -0.007 0.000 0.236 1273 R C 1.055 177.516 176.300 0.269 0.000 1.129 1273 R CA 2.189 58.573 56.100 0.473 0.000 0.925 1273 R CB 0.076 30.584 30.300 0.346 0.000 0.850 1273 R HN 0.636 nan 8.270 nan 0.000 0.431 1274 D N -1.185 119.311 120.400 0.159 0.000 2.349 1274 D HA -0.046 4.590 4.640 -0.007 0.000 0.215 1274 D C 1.379 177.734 176.300 0.091 0.000 1.016 1274 D CA 1.340 55.402 54.000 0.103 0.000 0.870 1274 D CB 0.587 41.427 40.800 0.067 0.000 0.917 1274 D HN 0.507 nan 8.370 nan 0.000 0.524 1275 T N -2.588 112.030 114.554 0.106 0.000 3.014 1275 T HA 0.082 4.428 4.350 -0.007 0.000 0.250 1275 T C 0.852 175.615 174.700 0.106 0.000 1.060 1275 T CA 0.082 62.233 62.100 0.085 0.000 1.040 1275 T CB 0.471 69.381 68.868 0.069 0.000 0.971 1275 T HN 0.051 nan 8.240 nan 0.000 0.497 1276 E N 0.238 120.531 120.200 0.155 0.000 3.801 1276 E HA -0.188 4.158 4.350 -0.007 0.000 0.319 1276 E C -0.336 176.408 176.600 0.240 0.000 0.784 1276 E CA 0.389 56.902 56.400 0.188 0.000 1.183 1276 E CB -1.716 28.052 29.700 0.112 0.000 1.601 1276 E HN 0.706 nan 8.360 nan 0.000 0.441 1277 Q N 0.963 120.862 119.800 0.165 0.000 2.330 1277 Q HA 0.140 4.476 4.340 -0.007 0.000 0.279 1277 Q C 0.031 176.086 176.000 0.092 0.000 1.024 1277 Q CA 0.644 56.512 55.803 0.108 0.000 0.900 1277 Q CB 0.703 29.467 28.738 0.042 0.000 1.221 1277 Q HN 0.164 nan 8.270 nan 0.000 0.396 1278 E N 2.883 123.086 120.200 0.006 0.000 2.197 1278 E HA 0.259 4.604 4.350 -0.007 0.000 0.281 1278 E C -1.038 175.359 176.600 -0.338 0.000 0.995 1278 E CA -0.494 55.726 56.400 -0.300 0.000 0.808 1278 E CB 0.759 30.349 29.700 -0.183 0.000 1.093 1278 E HN 0.490 nan 8.360 nan 0.000 0.394 1279 I N 4.486 124.773 120.570 -0.471 0.000 2.297 1279 I HA 0.172 4.337 4.170 -0.007 0.000 0.291 1279 I C 0.870 176.591 176.117 -0.660 0.000 1.033 1279 I CA -0.118 60.927 61.300 -0.425 0.000 1.253 1279 I CB 1.526 39.335 38.000 -0.319 0.000 1.396 1279 I HN 0.682 nan 8.210 nan 0.000 0.476 1280 A N 6.177 128.538 122.820 -0.766 0.000 1.935 1280 A HA 0.227 4.543 4.320 -0.007 0.000 0.214 1280 A C 0.768 177.898 177.584 -0.757 0.000 1.178 1280 A CA 0.768 52.018 52.037 -1.311 0.000 0.640 1280 A CB 0.324 18.805 19.000 -0.864 0.000 0.825 1280 A HN 0.441 nan 8.150 nan 0.000 0.447 1281 V N 0.152 119.792 119.914 -0.456 0.000 2.686 1281 V HA 0.388 4.504 4.120 -0.007 0.000 0.306 1281 V C -1.077 174.851 176.094 -0.277 0.000 1.065 1281 V CA -0.639 61.469 62.300 -0.321 0.000 0.894 1281 V CB 1.957 33.609 31.823 -0.285 0.000 1.004 1281 V HN -0.006 nan 8.190 nan 0.000 0.424 1282 V N 5.035 124.786 119.914 -0.272 0.000 2.311 1282 V HA 0.334 4.449 4.120 -0.007 0.000 0.275 1282 V C -0.978 174.870 176.094 -0.411 0.000 1.022 1282 V CA -0.596 61.494 62.300 -0.349 0.000 0.830 1282 V CB 1.082 32.686 31.823 -0.366 0.000 1.012 1282 V HN 0.757 nan 8.190 nan 0.000 0.452 1283 Y N 6.487 126.447 120.300 -0.567 0.000 2.369 1283 Y HA 0.520 5.065 4.550 -0.008 0.000 0.337 1283 Y C -0.637 174.958 175.900 -0.509 0.000 0.961 1283 Y CA -1.946 55.827 58.100 -0.546 0.000 1.186 1283 Y CB 0.555 38.595 38.460 -0.700 0.000 1.139 1283 Y HN 0.597 nan 8.280 nan 0.000 0.494 1284 Y N 6.139 126.282 120.300 -0.263 0.000 2.393 1284 Y HA 0.357 4.903 4.550 -0.007 0.000 0.338 1284 Y C 0.942 176.553 175.900 -0.482 0.000 1.029 1284 Y CA -0.205 57.712 58.100 -0.305 0.000 1.239 1284 Y CB 0.801 39.221 38.460 -0.066 0.000 1.170 1284 Y HN 0.411 nan 8.280 nan 0.000 0.515 1285 R N 1.619 121.948 120.500 -0.286 0.000 2.629 1285 R HA 0.248 4.583 4.340 -0.007 0.000 0.386 1285 R C -0.369 175.930 176.300 -0.002 0.000 1.071 1285 R CA -0.085 55.872 56.100 -0.238 0.000 1.104 1285 R CB 0.804 30.907 30.300 -0.328 0.000 1.370 1285 R HN 0.684 nan 8.270 nan 0.000 0.574 1286 T N -2.778 111.811 114.554 0.058 0.000 2.733 1286 T HA 0.434 4.780 4.350 -0.007 0.000 0.312 1286 T C -0.219 174.431 174.700 -0.084 0.000 1.590 1286 T CA 0.492 62.561 62.100 -0.051 0.000 1.005 1286 T CB 1.380 70.048 68.868 -0.333 0.000 1.528 1286 T HN 0.270 nan 8.240 nan 0.000 0.496 1287 G N 0.901 109.510 108.800 -0.319 0.000 2.148 1287 G HA2 -0.227 3.728 3.960 -0.007 0.000 0.203 1287 G HA3 -0.227 3.728 3.960 -0.007 0.000 0.203 1287 G C 0.290 175.326 174.900 0.226 0.000 0.993 1287 G CA 0.853 45.842 45.100 -0.185 0.000 0.661 1287 G HN 1.282 nan 8.290 nan 0.000 0.518 1288 Y N -0.767 119.658 120.300 0.208 0.000 2.458 1288 Y HA 0.658 5.204 4.550 -0.008 0.000 0.256 1288 Y C 0.841 176.862 175.900 0.202 0.000 1.159 1288 Y CA 0.098 58.373 58.100 0.291 0.000 1.261 1288 Y CB 0.248 38.770 38.460 0.103 0.000 1.119 1288 Y HN 0.314 nan 8.280 nan 0.000 0.524 1289 T N -0.661 113.763 114.554 -0.217 0.000 2.900 1289 T HA 0.251 4.596 4.350 -0.007 0.000 0.303 1289 T C 0.771 175.332 174.700 -0.231 0.000 1.142 1289 T CA 0.018 61.830 62.100 -0.480 0.000 1.007 1289 T CB 1.614 70.288 68.868 -0.323 0.000 1.156 1289 T HN 0.154 nan 8.240 nan 0.000 0.490 1290 T N 1.850 116.194 114.554 -0.350 0.000 2.685 1290 T HA -0.162 4.183 4.350 -0.007 0.000 0.268 1290 T C 2.044 176.848 174.700 0.174 0.000 1.034 1290 T CA 2.457 64.644 62.100 0.146 0.000 1.149 1290 T CB -0.715 68.209 68.868 0.093 0.000 0.860 1290 T HN 0.904 nan 8.240 nan 0.000 0.449 1291 T N 0.228 114.791 114.554 0.015 0.000 3.051 1291 T HA -0.071 4.274 4.350 -0.007 0.000 0.269 1291 T C 1.239 175.909 174.700 -0.050 0.000 1.127 1291 T CA 0.845 62.946 62.100 0.001 0.000 1.107 1291 T CB -0.278 68.572 68.868 -0.031 0.000 0.898 1291 T HN 0.223 nan 8.240 nan 0.000 0.517 1292 D N 0.477 120.802 120.400 -0.124 0.000 2.269 1292 D HA 0.034 4.669 4.640 -0.007 0.000 0.208 1292 D C -0.400 175.702 176.300 -0.330 0.000 0.963 1292 D CA 0.689 54.516 54.000 -0.289 0.000 0.864 1292 D CB -0.149 40.342 40.800 -0.516 0.000 0.936 1292 D HN 0.560 nan 8.370 nan 0.000 0.505 1293 Y N 0.345 120.552 120.300 -0.154 0.000 2.491 1293 Y HA 0.182 4.728 4.550 -0.007 0.000 0.334 1293 Y C 1.586 177.417 175.900 -0.116 0.000 0.969 1293 Y CA -0.600 57.291 58.100 -0.347 0.000 1.241 1293 Y CB 1.022 38.904 38.460 -0.964 0.000 1.105 1293 Y HN -0.198 nan 8.280 nan 0.000 0.503 1294 T N -2.262 112.309 114.554 0.028 0.000 3.088 1294 T HA 0.146 4.491 4.350 -0.007 0.000 0.259 1294 T C 0.576 175.328 174.700 0.086 0.000 1.122 1294 T CA 0.653 62.788 62.100 0.059 0.000 1.095 1294 T CB -0.051 68.835 68.868 0.031 0.000 0.930 1294 T HN 0.513 nan 8.240 nan 0.000 0.508 1295 S N -0.660 115.101 115.700 0.100 0.000 2.636 1295 S HA 0.434 4.900 4.470 -0.007 0.000 0.268 1295 S C 0.318 175.038 174.600 0.201 0.000 1.159 1295 S CA -0.385 57.893 58.200 0.130 0.000 0.815 1295 S CB 1.375 64.622 63.200 0.077 0.000 1.130 1295 S HN -0.025 nan 8.310 nan 0.000 0.471 1296 E N 1.045 121.368 120.200 0.204 0.000 2.204 1296 E HA -0.032 4.313 4.350 -0.007 0.000 0.195 1296 E C 1.404 178.109 176.600 0.176 0.000 0.990 1296 E CA 1.483 58.032 56.400 0.248 0.000 0.821 1296 E CB -0.121 29.656 29.700 0.128 0.000 0.750 1296 E HN 0.497 nan 8.360 nan 0.000 0.477 1297 K N 0.479 120.934 120.400 0.091 0.000 2.147 1297 K HA -0.120 4.195 4.320 -0.007 0.000 0.205 1297 K C 1.394 177.978 176.600 -0.027 0.000 1.049 1297 K CA 1.336 57.645 56.287 0.037 0.000 0.936 1297 K CB -0.192 32.322 32.500 0.022 0.000 0.722 1297 K HN 0.241 nan 8.250 nan 0.000 0.446 1298 D N -0.475 119.867 120.400 -0.096 0.000 2.149 1298 D HA -0.111 4.524 4.640 -0.007 0.000 0.201 1298 D C 1.815 177.820 176.300 -0.492 0.000 0.972 1298 D CA 0.752 54.498 54.000 -0.423 0.000 0.835 1298 D CB -0.262 40.256 40.800 -0.469 0.000 0.966 1298 D HN 0.244 nan 8.370 nan 0.000 0.476 1299 W N 1.657 122.903 121.300 -0.091 0.000 2.363 1299 W HA -0.047 4.609 4.660 -0.007 0.000 0.296 1299 W C 2.348 178.814 176.519 -0.088 0.000 1.212 1299 W CA 0.605 57.882 57.345 -0.114 0.000 1.260 1299 W CB -0.134 29.238 29.460 -0.147 0.000 1.131 1299 W HN 0.038 nan 8.180 nan 0.000 0.530 1300 E N -0.007 120.281 120.200 0.147 0.000 2.106 1300 E HA -0.165 4.181 4.350 -0.007 0.000 0.192 1300 E C 2.327 178.992 176.600 0.110 0.000 0.984 1300 E CA 1.138 57.608 56.400 0.117 0.000 0.806 1300 E CB -0.442 29.306 29.700 0.081 0.000 0.750 1300 E HN 0.243 nan 8.360 nan 0.000 0.458 1301 A N 1.618 124.446 122.820 0.012 0.000 1.902 1301 A HA -0.211 4.105 4.320 -0.007 0.000 0.217 1301 A C 2.127 179.841 177.584 0.216 0.000 1.181 1301 A CA 1.684 53.769 52.037 0.080 0.000 0.623 1301 A CB -0.374 18.647 19.000 0.035 0.000 0.818 1301 A HN 0.027 nan 8.150 nan 0.000 0.443 1302 R N -0.369 120.160 120.500 0.048 0.000 2.073 1302 R HA -0.098 4.237 4.340 -0.007 0.000 0.234 1302 R C 1.898 178.353 176.300 0.258 0.000 1.134 1302 R CA 1.773 58.002 56.100 0.214 0.000 0.952 1302 R CB -0.892 29.483 30.300 0.125 0.000 0.850 1302 R HN 0.420 nan 8.270 nan 0.000 0.433 1303 L N 0.075 121.428 121.223 0.216 0.000 2.046 1303 L HA -0.042 4.294 4.340 -0.007 0.000 0.208 1303 L C 2.044 179.051 176.870 0.228 0.000 1.077 1303 L CA 1.789 56.744 54.840 0.193 0.000 0.747 1303 L CB -0.867 41.285 42.059 0.155 0.000 0.896 1303 L HN 0.325 nan 8.230 nan 0.000 0.432 1304 F N -0.397 119.624 119.950 0.118 0.000 2.095 1304 F HA -0.247 4.276 4.527 -0.008 0.000 0.298 1304 F C 2.017 177.895 175.800 0.130 0.000 1.104 1304 F CA 1.954 60.026 58.000 0.121 0.000 1.232 1304 F CB -0.268 38.800 39.000 0.113 0.000 0.987 1304 F HN 0.070 nan 8.300 nan 0.000 0.475 1305 L N 0.155 121.525 121.223 0.246 0.000 2.046 1305 L HA -0.189 4.147 4.340 -0.007 0.000 0.208 1305 L C 2.525 179.431 176.870 0.059 0.000 1.077 1305 L CA 1.321 56.224 54.840 0.105 0.000 0.747 1305 L CB -0.817 41.417 42.059 0.292 0.000 0.896 1305 L HN 0.133 nan 8.230 nan 0.000 0.432 1306 E N 0.444 120.736 120.200 0.152 0.000 2.150 1306 E HA -0.190 4.155 4.350 -0.007 0.000 0.193 1306 E C 2.040 178.687 176.600 0.079 0.000 0.985 1306 E CA 1.011 57.492 56.400 0.135 0.000 0.814 1306 E CB -0.062 29.733 29.700 0.159 0.000 0.752 1306 E HN 0.493 nan 8.360 nan 0.000 0.466 1307 K N 1.201 121.633 120.400 0.054 0.000 2.366 1307 K HA 0.002 4.317 4.320 -0.007 0.000 0.198 1307 K C 1.336 178.003 176.600 0.112 0.000 1.044 1307 K CA 0.181 56.519 56.287 0.085 0.000 0.973 1307 K CB 0.130 32.685 32.500 0.092 0.000 0.767 1307 K HN 0.029 nan 8.250 nan 0.000 0.475 1308 S N -0.277 115.391 115.700 -0.053 0.000 2.608 1308 S HA 0.010 4.475 4.470 -0.007 0.000 0.261 1308 S C 0.710 175.329 174.600 0.032 0.000 1.314 1308 S CA -0.551 57.583 58.200 -0.112 0.000 0.992 1308 S CB 0.395 63.426 63.200 -0.280 0.000 0.935 1308 S HN 0.190 nan 8.310 nan 0.000 0.564 1309 F N 1.236 121.097 119.950 -0.149 0.000 2.780 1309 F HA 0.387 4.909 4.527 -0.008 0.000 0.299 1309 F C 1.347 177.201 175.800 0.091 0.000 1.146 1309 F CA -0.119 57.867 58.000 -0.023 0.000 1.428 1309 F CB -0.869 38.086 39.000 -0.075 0.000 1.115 1309 F HN 0.793 nan 8.300 nan 0.000 0.583 1310 A N 1.017 123.812 122.820 -0.042 0.000 2.445 1310 A HA 0.282 4.598 4.320 -0.007 0.000 0.242 1310 A C 0.224 177.710 177.584 -0.163 0.000 1.075 1310 A CA -0.350 51.592 52.037 -0.160 0.000 0.777 1310 A CB -0.172 18.680 19.000 -0.248 0.000 1.013 1310 A HN 0.241 nan 8.150 nan 0.000 0.493 1311 I N 1.601 122.070 120.570 -0.167 0.000 2.416 1311 I HA 0.133 4.298 4.170 -0.007 0.000 0.288 1311 I C 0.125 176.168 176.117 -0.124 0.000 1.051 1311 I CA -0.148 61.073 61.300 -0.131 0.000 1.375 1311 I CB 0.955 38.886 38.000 -0.115 0.000 1.407 1311 I HN 0.537 nan 8.210 nan 0.000 0.516 1312 K N 4.972 125.336 120.400 -0.060 0.000 2.118 1312 K HA 0.625 4.940 4.320 -0.007 0.000 0.267 1312 K C -0.431 176.183 176.600 0.023 0.000 0.991 1312 K CA -0.306 55.984 56.287 0.005 0.000 0.916 1312 K CB 1.638 34.236 32.500 0.164 0.000 1.041 1312 K HN 0.641 nan 8.250 nan 0.000 0.455 1313 A N 4.632 127.488 122.820 0.061 0.000 2.893 1313 A HA 0.403 4.718 4.320 -0.007 0.000 0.333 1313 A C -2.564 175.193 177.584 0.289 0.000 1.152 1313 A CA -1.257 50.836 52.037 0.094 0.000 0.782 1313 A CB 0.195 19.180 19.000 -0.024 0.000 1.108 1313 A HN 0.464 nan 8.150 nan 0.000 0.469 1314 P HA 0.484 nan 4.420 nan 0.000 0.286 1314 P C -1.057 176.418 177.300 0.292 0.000 1.292 1314 P CA -0.288 62.970 63.100 0.263 0.000 0.842 1314 P CB 1.574 33.453 31.700 0.299 0.000 1.207 1315 D N -0.182 120.336 120.400 0.196 0.000 2.478 1315 D HA 0.094 4.729 4.640 -0.007 0.000 0.269 1315 D C 1.622 178.012 176.300 0.151 0.000 1.232 1315 D CA -0.576 53.535 54.000 0.186 0.000 1.059 1315 D CB -0.136 40.736 40.800 0.119 0.000 1.104 1315 D HN 0.144 nan 8.370 nan 0.000 0.566 1316 L N -0.862 120.442 121.223 0.134 0.000 1.990 1316 L HA -0.193 4.143 4.340 -0.007 0.000 0.213 1316 L C 2.591 179.498 176.870 0.063 0.000 1.072 1316 L CA 1.197 56.095 54.840 0.097 0.000 0.755 1316 L CB -0.498 41.645 42.059 0.140 0.000 0.889 1316 L HN 0.350 nan 8.230 nan 0.000 0.432 1317 L N -1.041 120.192 121.223 0.017 0.000 2.046 1317 L HA -0.212 4.123 4.340 -0.007 0.000 0.208 1317 L C 2.624 179.558 176.870 0.106 0.000 1.077 1317 L CA 1.549 56.364 54.840 -0.043 0.000 0.747 1317 L CB -0.816 41.172 42.059 -0.119 0.000 0.896 1317 L HN 0.335 nan 8.230 nan 0.000 0.432 1318 T N -1.109 113.566 114.554 0.202 0.000 2.746 1318 T HA -0.292 4.054 4.350 -0.007 0.000 0.267 1318 T C 1.791 176.648 174.700 0.262 0.000 1.039 1318 T CA 1.587 63.888 62.100 0.334 0.000 1.142 1318 T CB -0.160 68.983 68.868 0.458 0.000 0.866 1318 T HN 0.367 nan 8.240 nan 0.000 0.444 1319 Q N 0.514 120.433 119.800 0.199 0.000 2.061 1319 Q HA -0.087 4.248 4.340 -0.007 0.000 0.204 1319 Q C 2.252 178.326 176.000 0.123 0.000 0.984 1319 Q CA 1.384 57.282 55.803 0.158 0.000 0.846 1319 Q CB -0.372 28.436 28.738 0.118 0.000 0.902 1319 Q HN 0.479 nan 8.270 nan 0.000 0.421 1320 L N 0.956 122.236 121.223 0.096 0.000 2.191 1320 L HA -0.167 4.169 4.340 -0.007 0.000 0.212 1320 L C 2.695 179.600 176.870 0.058 0.000 1.103 1320 L CA 1.210 56.090 54.840 0.066 0.000 0.769 1320 L CB -0.522 41.571 42.059 0.057 0.000 0.908 1320 L HN 0.386 nan 8.230 nan 0.000 0.438 1321 S N -0.276 115.480 115.700 0.094 0.000 2.442 1321 S HA -0.096 4.370 4.470 -0.007 0.000 0.236 1321 S C 1.688 176.404 174.600 0.193 0.000 1.007 1321 S CA 0.816 59.082 58.200 0.110 0.000 0.965 1321 S CB -0.645 62.657 63.200 0.170 0.000 0.773 1321 S HN 0.408 nan 8.310 nan 0.000 0.504 1322 G N 2.043 110.918 108.800 0.126 0.000 3.424 1322 G HA2 0.351 4.306 3.960 -0.007 0.000 0.263 1322 G HA3 0.351 4.306 3.960 -0.007 0.000 0.263 1322 G C 0.241 175.171 174.900 0.050 0.000 1.310 1322 G CA 0.018 45.156 45.100 0.064 0.000 1.089 1322 G HN 0.667 nan 8.290 nan 0.000 0.534 1323 S N -0.491 115.242 115.700 0.055 0.000 2.601 1323 S HA 0.336 4.801 4.470 -0.007 0.000 0.271 1323 S C 1.283 175.882 174.600 -0.003 0.000 1.305 1323 S CA -0.649 57.561 58.200 0.015 0.000 1.022 1323 S CB 1.944 65.134 63.200 -0.017 0.000 0.940 1323 S HN 0.014 nan 8.310 nan 0.000 0.525 1324 K N 1.224 121.612 120.400 -0.021 0.000 2.148 1324 K HA -0.047 4.269 4.320 -0.007 0.000 0.204 1324 K C 1.844 178.414 176.600 -0.050 0.000 1.050 1324 K CA 1.211 57.477 56.287 -0.036 0.000 0.942 1324 K CB -0.544 31.935 32.500 -0.036 0.000 0.724 1324 K HN 0.686 nan 8.250 nan 0.000 0.446 1325 K N 1.632 121.997 120.400 -0.057 0.000 2.026 1325 K HA -0.008 4.308 4.320 -0.007 0.000 0.208 1325 K C 1.962 178.499 176.600 -0.106 0.000 1.048 1325 K CA 1.137 57.378 56.287 -0.077 0.000 0.929 1325 K CB -0.387 32.056 32.500 -0.095 0.000 0.713 1325 K HN 0.081 nan 8.250 nan 0.000 0.439 1326 I N 0.511 121.016 120.570 -0.110 0.000 2.315 1326 I HA -0.257 3.908 4.170 -0.007 0.000 0.248 1326 I C 2.656 178.693 176.117 -0.133 0.000 1.117 1326 I CA 1.229 62.443 61.300 -0.143 0.000 1.404 1326 I CB -0.286 37.635 38.000 -0.133 0.000 1.071 1326 I HN 0.422 nan 8.210 nan 0.000 0.419 1327 Q N 0.710 120.461 119.800 -0.082 0.000 2.096 1327 Q HA -0.291 4.044 4.340 -0.007 0.000 0.204 1327 Q C 2.324 178.194 176.000 -0.217 0.000 0.982 1327 Q CA 1.749 57.476 55.803 -0.127 0.000 0.850 1327 Q CB -0.111 28.574 28.738 -0.088 0.000 0.901 1327 Q HN 0.450 nan 8.270 nan 0.000 0.422 1328 Q N 0.406 120.116 119.800 -0.150 0.000 2.046 1328 Q HA -0.161 4.175 4.340 -0.007 0.000 0.200 1328 Q C 2.134 178.053 176.000 -0.135 0.000 0.975 1328 Q CA 1.324 57.043 55.803 -0.141 0.000 0.836 1328 Q CB -0.236 28.457 28.738 -0.075 0.000 0.896 1328 Q HN 0.526 nan 8.270 nan 0.000 0.428 1329 L N 0.609 121.766 121.223 -0.110 0.000 2.083 1329 L HA -0.184 4.152 4.340 -0.007 0.000 0.209 1329 L C 2.529 179.366 176.870 -0.054 0.000 1.083 1329 L CA 0.756 55.559 54.840 -0.063 0.000 0.752 1329 L CB -0.398 41.604 42.059 -0.096 0.000 0.899 1329 L HN 0.202 nan 8.230 nan 0.000 0.433 1330 L N -0.317 120.832 121.223 -0.123 0.000 2.362 1330 L HA -0.136 4.199 4.340 -0.007 0.000 0.219 1330 L C 2.601 179.455 176.870 -0.026 0.000 1.134 1330 L CA 1.304 56.096 54.840 -0.079 0.000 0.807 1330 L CB -0.870 41.097 42.059 -0.153 0.000 0.927 1330 L HN 0.460 nan 8.230 nan 0.000 0.447 1331 T N -4.238 110.230 114.554 -0.144 0.000 3.072 1331 T HA -0.143 4.202 4.350 -0.007 0.000 0.266 1331 T C 0.590 175.338 174.700 0.080 0.000 1.127 1331 T CA 0.143 62.232 62.100 -0.017 0.000 1.107 1331 T CB -0.459 68.335 68.868 -0.123 0.000 0.910 1331 T HN 0.242 nan 8.240 nan 0.000 0.513 1332 D N 0.764 121.194 120.400 0.050 0.000 2.295 1332 D HA 0.174 4.809 4.640 -0.007 0.000 0.248 1332 D C 1.096 177.445 176.300 0.081 0.000 1.154 1332 D CA -0.382 53.654 54.000 0.060 0.000 0.857 1332 D CB 0.972 41.804 40.800 0.055 0.000 1.117 1332 D HN 0.202 nan 8.370 nan 0.000 0.468 1333 E N 2.284 122.526 120.200 0.070 0.000 2.171 1333 E HA -0.176 4.170 4.350 -0.007 0.000 0.197 1333 E C 1.921 178.544 176.600 0.039 0.000 0.997 1333 E CA 0.987 57.420 56.400 0.056 0.000 0.810 1333 E CB 0.052 29.771 29.700 0.033 0.000 0.738 1333 E HN 0.745 nan 8.360 nan 0.000 0.467 1334 G N 0.576 109.396 108.800 0.034 0.000 2.408 1334 G HA2 -0.198 3.758 3.960 -0.007 0.000 0.217 1334 G HA3 -0.198 3.758 3.960 -0.007 0.000 0.217 1334 G C 1.703 176.618 174.900 0.024 0.000 1.150 1334 G CA 0.519 45.629 45.100 0.017 0.000 0.776 1334 G HN 0.118 nan 8.290 nan 0.000 0.542 1335 V N 0.611 120.565 119.914 0.066 0.000 2.323 1335 V HA -0.080 4.035 4.120 -0.007 0.000 0.244 1335 V C 2.639 178.814 176.094 0.135 0.000 1.041 1335 V CA 1.460 63.827 62.300 0.112 0.000 1.025 1335 V CB -0.393 31.522 31.823 0.153 0.000 0.656 1335 V HN 0.340 nan 8.190 nan 0.000 0.451 1336 L N 1.654 122.955 121.223 0.130 0.000 2.042 1336 L HA -0.066 4.270 4.340 -0.007 0.000 0.210 1336 L C 2.308 179.227 176.870 0.083 0.000 1.076 1336 L CA 2.428 57.358 54.840 0.150 0.000 0.749 1336 L CB -1.316 40.820 42.059 0.130 0.000 0.893 1336 L HN 0.301 nan 8.230 nan 0.000 0.432 1337 G N -1.552 107.257 108.800 0.015 0.000 2.535 1337 G HA2 -0.233 3.723 3.960 -0.007 0.000 0.218 1337 G HA3 -0.233 3.723 3.960 -0.007 0.000 0.218 1337 G C 1.611 176.442 174.900 -0.115 0.000 1.122 1337 G CA 0.805 45.883 45.100 -0.038 0.000 0.769 1337 G HN 0.368 nan 8.290 nan 0.000 0.549 1338 K N -0.679 119.588 120.400 -0.222 0.000 2.296 1338 K HA 0.111 4.427 4.320 -0.007 0.000 0.200 1338 K C 1.823 178.020 176.600 -0.672 0.000 1.048 1338 K CA 0.792 56.791 56.287 -0.480 0.000 0.966 1338 K CB -0.373 31.711 32.500 -0.693 0.000 0.754 1338 K HN 0.736 nan 8.250 nan 0.000 0.466 1339 Y N -1.052 119.217 120.300 -0.050 0.000 2.535 1339 Y HA 0.394 4.940 4.550 -0.007 0.000 0.266 1339 Y C 0.746 176.602 175.900 -0.074 0.000 1.088 1339 Y CA -0.371 57.687 58.100 -0.071 0.000 1.285 1339 Y CB 0.883 39.277 38.460 -0.111 0.000 1.166 1339 Y HN -0.037 nan 8.280 nan 0.000 0.525 1340 I N 0.522 121.114 120.570 0.037 0.000 2.411 1340 I HA 0.310 4.476 4.170 -0.007 0.000 0.284 1340 I C 0.857 176.954 176.117 -0.034 0.000 1.012 1340 I CA -0.174 61.120 61.300 -0.011 0.000 1.119 1340 I CB 0.914 38.890 38.000 -0.039 0.000 1.261 1340 I HN 0.204 nan 8.210 nan 0.000 0.448 1341 S N 4.205 119.884 115.700 -0.036 0.000 2.458 1341 S HA -0.046 4.419 4.470 -0.007 0.000 0.223 1341 S C 0.858 175.436 174.600 -0.038 0.000 1.019 1341 S CA 0.220 58.397 58.200 -0.039 0.000 0.937 1341 S CB -0.105 63.074 63.200 -0.036 0.000 0.788 1341 S HN 0.673 nan 8.310 nan 0.000 0.511 1342 D N 0.957 121.334 120.400 -0.039 0.000 2.434 1342 D HA 0.464 5.099 4.640 -0.007 0.000 0.252 1342 D C 1.257 177.528 176.300 -0.048 0.000 1.185 1342 D CA 0.478 54.454 54.000 -0.040 0.000 0.886 1342 D CB 1.035 41.810 40.800 -0.042 0.000 1.148 1342 D HN 0.242 nan 8.370 nan 0.000 0.483 1343 A N 4.110 126.905 122.820 -0.043 0.000 1.908 1343 A HA -0.228 4.087 4.320 -0.007 0.000 0.218 1343 A C 1.872 179.422 177.584 -0.057 0.000 1.181 1343 A CA 1.477 53.487 52.037 -0.045 0.000 0.627 1343 A CB -0.455 18.523 19.000 -0.036 0.000 0.818 1343 A HN 0.794 nan 8.150 nan 0.000 0.445 1344 E N -0.414 119.753 120.200 -0.056 0.000 2.107 1344 E HA -0.141 4.204 4.350 -0.007 0.000 0.191 1344 E C 2.058 178.605 176.600 -0.087 0.000 0.982 1344 E CA 1.082 57.443 56.400 -0.065 0.000 0.809 1344 E CB -0.115 29.552 29.700 -0.054 0.000 0.756 1344 E HN 0.580 nan 8.360 nan 0.000 0.459 1345 K N 1.018 121.364 120.400 -0.089 0.000 2.057 1345 K HA -0.148 4.167 4.320 -0.007 0.000 0.206 1345 K C 2.160 178.665 176.600 -0.157 0.000 1.050 1345 K CA 0.935 57.150 56.287 -0.121 0.000 0.935 1345 K CB -0.044 32.393 32.500 -0.104 0.000 0.715 1345 K HN -0.072 nan 8.250 nan 0.000 0.439 1346 K N 0.809 121.135 120.400 -0.125 0.000 2.026 1346 K HA -0.121 4.194 4.320 -0.007 0.000 0.208 1346 K C 2.152 178.658 176.600 -0.156 0.000 1.048 1346 K CA 1.729 57.939 56.287 -0.128 0.000 0.929 1346 K CB 0.038 32.491 32.500 -0.079 0.000 0.713 1346 K HN -0.045 nan 8.250 nan 0.000 0.439 1347 S N 0.298 115.923 115.700 -0.125 0.000 2.368 1347 S HA -0.103 4.362 4.470 -0.007 0.000 0.225 1347 S C 1.974 176.474 174.600 -0.166 0.000 1.030 1347 S CA 1.465 59.591 58.200 -0.123 0.000 0.999 1347 S CB -0.181 62.967 63.200 -0.087 0.000 0.844 1347 S HN 0.312 nan 8.310 nan 0.000 0.459 1348 S N 1.813 117.410 115.700 -0.173 0.000 2.368 1348 S HA 0.001 4.466 4.470 -0.007 0.000 0.225 1348 S C 1.813 176.243 174.600 -0.284 0.000 1.030 1348 S CA 0.955 59.041 58.200 -0.189 0.000 0.999 1348 S CB -0.454 62.646 63.200 -0.167 0.000 0.844 1348 S HN 0.347 nan 8.310 nan 0.000 0.459 1349 L N 1.000 121.985 121.223 -0.397 0.000 1.994 1349 L HA -0.105 4.230 4.340 -0.007 0.000 0.208 1349 L C 2.291 178.585 176.870 -0.959 0.000 1.071 1349 L CA 1.147 55.587 54.840 -0.666 0.000 0.745 1349 L CB -0.642 41.023 42.059 -0.656 0.000 0.892 1349 L HN 0.274 nan 8.230 nan 0.000 0.431 1350 L N -0.298 120.511 121.223 -0.690 0.000 2.079 1350 L HA -0.277 4.058 4.340 -0.007 0.000 0.210 1350 L C 2.923 179.596 176.870 -0.328 0.000 1.081 1350 L CA 1.300 55.813 54.840 -0.545 0.000 0.752 1350 L CB -0.609 41.337 42.059 -0.189 0.000 0.896 1350 L HN 0.140 nan 8.230 nan 0.000 0.433 1351 K N -0.115 120.140 120.400 -0.241 0.000 2.209 1351 K HA -0.144 4.171 4.320 -0.007 0.000 0.204 1351 K C 2.039 178.605 176.600 -0.056 0.000 1.048 1351 K CA 1.572 57.792 56.287 -0.112 0.000 0.940 1351 K CB -0.798 31.642 32.500 -0.100 0.000 0.729 1351 K HN 0.713 nan 8.250 nan 0.000 0.451 1352 T N -1.878 112.617 114.554 -0.099 0.000 3.129 1352 T HA 0.246 4.591 4.350 -0.007 0.000 0.251 1352 T C 0.331 175.235 174.700 0.339 0.000 1.117 1352 T CA -0.359 61.817 62.100 0.127 0.000 1.034 1352 T CB -0.421 68.629 68.868 0.302 0.000 0.968 1352 T HN 0.095 nan 8.240 nan 0.000 0.526 1353 F N 2.504 122.540 119.950 0.143 0.000 2.399 1353 F HA 0.651 5.174 4.527 -0.008 0.000 0.334 1353 F C 0.550 176.394 175.800 0.073 0.000 1.097 1353 F CA -2.650 55.418 58.000 0.113 0.000 1.076 1353 F CB 1.182 40.232 39.000 0.085 0.000 1.162 1353 F HN 0.025 nan 8.300 nan 0.000 0.495 1354 V N -0.314 119.753 119.914 0.254 0.000 3.406 1354 V HA 0.589 4.704 4.120 -0.007 0.000 0.305 1354 V C -0.010 176.141 176.094 0.096 0.000 1.136 1354 V CA -1.317 61.071 62.300 0.147 0.000 1.011 1354 V CB 0.827 32.715 31.823 0.109 0.000 1.221 1354 V HN 0.469 nan 8.190 nan 0.000 0.454 1355 K N 1.344 121.788 120.400 0.073 0.000 2.350 1355 K HA 0.570 4.885 4.320 -0.007 0.000 0.279 1355 K C -0.701 175.856 176.600 -0.071 0.000 1.027 1355 K CA 0.236 56.506 56.287 -0.028 0.000 0.969 1355 K CB 0.753 33.308 32.500 0.091 0.000 0.954 1355 K HN 0.660 nan 8.250 nan 0.000 0.474 1356 I N 3.143 123.532 120.570 -0.302 0.000 2.571 1356 I HA 0.271 4.436 4.170 -0.007 0.000 0.289 1356 I C -1.092 174.809 176.117 -0.361 0.000 1.115 1356 I CA -0.998 60.190 61.300 -0.186 0.000 1.045 1356 I CB 1.350 39.275 38.000 -0.126 0.000 1.238 1356 I HN 0.406 nan 8.210 nan 0.000 0.424 1357 Y N 5.936 126.250 120.300 0.024 0.000 2.524 1357 Y HA 0.559 5.105 4.550 -0.008 0.000 0.344 1357 Y C -2.293 173.617 175.900 0.016 0.000 1.012 1357 Y CA -2.427 55.680 58.100 0.012 0.000 1.068 1357 Y CB 1.391 39.840 38.460 -0.018 0.000 1.249 1357 Y HN 0.319 nan 8.280 nan 0.000 0.468 1358 P HA 0.207 nan 4.420 nan 0.000 0.277 1358 P C -0.423 176.977 177.300 0.166 0.000 1.276 1358 P CA -0.101 63.087 63.100 0.148 0.000 0.788 1358 P CB 1.355 33.127 31.700 0.120 0.000 1.114 1359 L N -0.443 120.883 121.223 0.171 0.000 3.313 1359 L HA 0.230 4.565 4.340 -0.007 0.000 0.320 1359 L C 0.283 177.276 176.870 0.204 0.000 1.304 1359 L CA -0.360 54.608 54.840 0.213 0.000 0.920 1359 L CB -0.012 42.218 42.059 0.286 0.000 1.357 1359 L HN 0.349 nan 8.230 nan 0.000 0.602 1360 D N -2.732 117.748 120.400 0.134 0.000 2.567 1360 D HA 0.148 4.784 4.640 -0.007 0.000 0.275 1360 D C 0.237 176.569 176.300 0.053 0.000 1.195 1360 D CA -0.541 53.510 54.000 0.085 0.000 1.087 1360 D CB 0.707 41.552 40.800 0.074 0.000 1.165 1360 D HN -0.210 nan 8.370 nan 0.000 0.609 1361 D N -0.874 119.539 120.400 0.022 0.000 2.395 1361 D HA 0.093 4.729 4.640 -0.007 0.000 0.226 1361 D C 0.131 176.441 176.300 0.017 0.000 1.146 1361 D CA 0.118 54.122 54.000 0.007 0.000 0.830 1361 D CB -0.272 40.515 40.800 -0.023 0.000 0.958 1361 D HN 0.488 nan 8.370 nan 0.000 0.501 1362 T N -3.037 111.539 114.554 0.036 0.000 2.788 1362 T HA 0.037 4.382 4.350 -0.007 0.000 0.287 1362 T C 1.482 176.206 174.700 0.041 0.000 1.007 1362 T CA -0.517 61.605 62.100 0.037 0.000 1.005 1362 T CB 2.130 71.031 68.868 0.055 0.000 1.012 1362 T HN -0.179 nan 8.240 nan 0.000 0.530 1363 K N -0.220 120.203 120.400 0.038 0.000 2.032 1363 K HA -0.078 4.237 4.320 -0.007 0.000 0.209 1363 K C 2.230 178.870 176.600 0.068 0.000 1.048 1363 K CA 1.156 57.468 56.287 0.041 0.000 0.927 1363 K CB -1.186 31.335 32.500 0.036 0.000 0.712 1363 K HN 0.587 nan 8.250 nan 0.000 0.441 1364 L N 0.787 122.066 121.223 0.093 0.000 2.083 1364 L HA 0.114 4.450 4.340 -0.007 0.000 0.209 1364 L C 2.593 179.564 176.870 0.168 0.000 1.083 1364 L CA 2.316 57.250 54.840 0.157 0.000 0.752 1364 L CB -1.450 40.699 42.059 0.150 0.000 0.899 1364 L HN 0.515 nan 8.230 nan 0.000 0.433 1365 G N -1.267 107.604 108.800 0.119 0.000 2.402 1365 G HA2 -0.232 3.723 3.960 -0.007 0.000 0.216 1365 G HA3 -0.232 3.723 3.960 -0.007 0.000 0.216 1365 G C 1.784 176.727 174.900 0.071 0.000 1.162 1365 G CA 0.372 45.537 45.100 0.109 0.000 0.777 1365 G HN 0.315 nan 8.290 nan 0.000 0.539 1366 R N 0.141 120.670 120.500 0.048 0.000 2.115 1366 R HA -0.011 4.325 4.340 -0.007 0.000 0.230 1366 R C 2.387 178.682 176.300 -0.008 0.000 1.111 1366 R CA 1.124 57.238 56.100 0.024 0.000 0.976 1366 R CB -0.219 30.089 30.300 0.014 0.000 0.870 1366 R HN 0.542 nan 8.270 nan 0.000 0.445 1367 E N 0.178 120.369 120.200 -0.014 0.000 2.106 1367 E HA -0.127 4.218 4.350 -0.007 0.000 0.192 1367 E C 1.982 178.415 176.600 -0.279 0.000 0.984 1367 E CA 1.173 57.516 56.400 -0.094 0.000 0.806 1367 E CB -0.120 29.567 29.700 -0.021 0.000 0.750 1367 E HN 0.376 nan 8.360 nan 0.000 0.458 1368 G N 1.257 109.908 108.800 -0.249 0.000 2.421 1368 G HA2 -0.274 3.681 3.960 -0.007 0.000 0.216 1368 G HA3 -0.274 3.681 3.960 -0.007 0.000 0.216 1368 G C 1.525 176.285 174.900 -0.234 0.000 1.171 1368 G CA 0.869 45.747 45.100 -0.370 0.000 0.775 1368 G HN 0.180 nan 8.290 nan 0.000 0.543 1369 K N 0.117 120.488 120.400 -0.048 0.000 2.057 1369 K HA -0.051 4.264 4.320 -0.007 0.000 0.207 1369 K C 2.754 179.345 176.600 -0.015 0.000 1.049 1369 K CA 0.933 57.259 56.287 0.064 0.000 0.931 1369 K CB -0.175 32.445 32.500 0.201 0.000 0.714 1369 K HN 0.190 nan 8.250 nan 0.000 0.440 1370 R N 0.817 121.281 120.500 -0.060 0.000 2.083 1370 R HA -0.104 4.231 4.340 -0.007 0.000 0.237 1370 R C 2.447 178.676 176.300 -0.119 0.000 1.137 1370 R CA 1.317 57.378 56.100 -0.065 0.000 0.951 1370 R CB -0.568 29.694 30.300 -0.064 0.000 0.851 1370 R HN 0.164 nan 8.270 nan 0.000 0.434 1371 L N 0.289 121.371 121.223 -0.235 0.000 2.046 1371 L HA -0.160 4.176 4.340 -0.007 0.000 0.208 1371 L C 2.725 179.419 176.870 -0.294 0.000 1.077 1371 L CA 1.255 55.919 54.840 -0.294 0.000 0.747 1371 L CB -0.652 41.066 42.059 -0.569 0.000 0.896 1371 L HN 0.253 nan 8.230 nan 0.000 0.432 1372 A N -0.084 122.533 122.820 -0.339 0.000 1.978 1372 A HA -0.138 4.178 4.320 -0.007 0.000 0.220 1372 A C 2.179 179.670 177.584 -0.155 0.000 1.170 1372 A CA 1.528 53.400 52.037 -0.276 0.000 0.636 1372 A CB -0.485 18.341 19.000 -0.290 0.000 0.810 1372 A HN 0.438 nan 8.150 nan 0.000 0.448 1373 L N -0.799 120.361 121.223 -0.106 0.000 2.408 1373 L HA 0.011 4.346 4.340 -0.007 0.000 0.215 1373 L C 2.706 179.564 176.870 -0.021 0.000 1.081 1373 L CA 1.067 55.877 54.840 -0.050 0.000 0.840 1373 L CB -0.158 41.898 42.059 -0.006 0.000 1.002 1373 L HN 0.533 nan 8.230 nan 0.000 0.468 1374 S N 0.290 115.977 115.700 -0.022 0.000 2.441 1374 S HA -0.066 4.399 4.470 -0.007 0.000 0.224 1374 S C 0.956 175.572 174.600 0.026 0.000 1.043 1374 S CA 0.169 58.370 58.200 0.002 0.000 0.948 1374 S CB 0.006 63.204 63.200 -0.003 0.000 0.810 1374 S HN 0.571 nan 8.310 nan 0.000 0.504 1375 E N 0.913 121.143 120.200 0.050 0.000 4.129 1375 E HA 0.311 4.657 4.350 -0.007 0.000 0.222 1375 E C -2.281 174.445 176.600 0.209 0.000 1.179 1375 E CA -1.684 54.787 56.400 0.117 0.000 1.334 1375 E CB 1.106 30.895 29.700 0.148 0.000 1.202 1375 E HN 0.310 nan 8.360 nan 0.000 0.428 1376 P HA -0.229 nan 4.420 nan 0.000 0.220 1376 P C 1.491 178.899 177.300 0.181 0.000 1.148 1376 P CA 1.358 64.553 63.100 0.160 0.000 0.803 1376 P CB 0.238 31.966 31.700 0.047 0.000 0.782 1377 S N -0.371 115.395 115.700 0.109 0.000 2.469 1377 S HA -0.079 4.387 4.470 -0.007 0.000 0.238 1377 S C 1.668 176.273 174.600 0.009 0.000 0.998 1377 S CA 0.778 59.013 58.200 0.060 0.000 0.957 1377 S CB -0.755 62.466 63.200 0.035 0.000 0.764 1377 S HN 0.060 nan 8.310 nan 0.000 0.514 1378 K N 0.438 120.802 120.400 -0.059 0.000 2.404 1378 K HA 0.314 4.629 4.320 -0.007 0.000 0.194 1378 K C -0.734 175.442 176.600 -0.706 0.000 1.023 1378 K CA 0.129 56.194 56.287 -0.370 0.000 1.094 1378 K CB -0.067 32.125 32.500 -0.513 0.000 0.841 1378 K HN 0.560 nan 8.250 nan 0.000 0.523 1379 Y N -1.687 118.636 120.300 0.039 0.000 2.665 1379 Y HA 0.481 5.027 4.550 -0.008 0.000 0.336 1379 Y C -0.386 175.511 175.900 -0.005 0.000 1.085 1379 Y CA -1.356 56.761 58.100 0.028 0.000 1.096 1379 Y CB 1.610 40.076 38.460 0.010 0.000 1.301 1379 Y HN -0.323 nan 8.280 nan 0.000 0.493 1380 V N 2.542 122.528 119.914 0.121 0.000 2.638 1380 V HA 0.603 4.718 4.120 -0.007 0.000 0.306 1380 V C -1.782 174.233 176.094 -0.131 0.000 1.052 1380 V CA -0.848 61.367 62.300 -0.142 0.000 0.885 1380 V CB 1.706 33.355 31.823 -0.291 0.000 0.999 1380 V HN 0.655 nan 8.190 nan 0.000 0.424 1381 L N 7.186 128.262 121.223 -0.243 0.000 2.275 1381 L HA 0.612 4.947 4.340 -0.007 0.000 0.288 1381 L C -0.244 176.518 176.870 -0.181 0.000 1.046 1381 L CA 0.326 55.050 54.840 -0.193 0.000 0.805 1381 L CB 0.940 42.809 42.059 -0.317 0.000 1.193 1381 L HN 0.701 nan 8.230 nan 0.000 0.426 1382 K N 7.098 127.482 120.400 -0.028 0.000 2.376 1382 K HA 0.514 4.830 4.320 -0.007 0.000 0.257 1382 K C -2.595 174.060 176.600 0.091 0.000 0.939 1382 K CA -1.769 54.513 56.287 -0.008 0.000 0.809 1382 K CB 1.615 34.089 32.500 -0.044 0.000 1.121 1382 K HN 0.412 nan 8.250 nan 0.000 0.425 1383 P HA 0.015 nan 4.420 nan 0.000 0.275 1383 P C -0.243 176.947 177.300 -0.183 0.000 1.227 1383 P CA -0.018 62.948 63.100 -0.223 0.000 0.781 1383 P CB 1.044 32.653 31.700 -0.151 0.000 0.906 1384 Q N 1.018 120.671 119.800 -0.245 0.000 2.224 1384 Q HA -0.092 4.243 4.340 -0.007 0.000 0.203 1384 Q C 1.210 177.162 176.000 -0.080 0.000 0.970 1384 Q CA 0.911 56.639 55.803 -0.125 0.000 0.865 1384 Q CB 0.062 28.733 28.738 -0.111 0.000 0.922 1384 Q HN 0.455 nan 8.270 nan 0.000 0.445 1385 R N 1.578 122.017 120.500 -0.101 0.000 2.340 1385 R HA 0.086 4.422 4.340 -0.007 0.000 0.300 1385 R C -0.601 175.660 176.300 -0.066 0.000 1.069 1385 R CA 0.161 56.229 56.100 -0.054 0.000 0.984 1385 R CB 0.608 30.868 30.300 -0.067 0.000 1.003 1385 R HN 0.062 nan 8.270 nan 0.000 0.459 1390 N N 0.739 119.440 118.700 0.002 0.000 2.203 1390 N HA 0.048 4.784 4.740 -0.007 0.000 0.207 1390 N C -0.081 175.369 175.510 -0.100 0.000 1.130 1390 N CA -0.356 52.683 53.050 -0.019 0.000 0.861 1390 N CB 0.553 39.049 38.487 0.014 0.000 1.005 1390 N HN 0.194 nan 8.380 nan 0.000 0.507 1391 N N 1.156 119.791 118.700 -0.109 0.000 2.454 1391 N HA 0.065 4.800 4.740 -0.007 0.000 0.254 1391 N C -0.249 175.033 175.510 -0.380 0.000 1.228 1391 N CA 0.273 53.149 53.050 -0.289 0.000 0.900 1391 N CB 1.391 39.640 38.487 -0.398 0.000 1.089 1391 N HN -0.159 nan 8.380 nan 0.000 0.449 1392 V N 3.260 122.854 119.914 -0.534 0.000 2.409 1392 V HA 0.313 4.428 4.120 -0.007 0.000 0.291 1392 V C -0.742 175.097 176.094 -0.424 0.000 1.020 1392 V CA -0.677 61.367 62.300 -0.427 0.000 0.848 1392 V CB 0.333 31.793 31.823 -0.606 0.000 0.990 1392 V HN 0.454 nan 8.190 nan 0.000 0.430 1393 Y N 3.512 123.756 120.300 -0.093 0.000 2.361 1393 Y HA 0.519 5.064 4.550 -0.008 0.000 0.332 1393 Y C 1.000 176.883 175.900 -0.027 0.000 1.101 1393 Y CA -0.673 57.399 58.100 -0.046 0.000 1.137 1393 Y CB 1.286 39.726 38.460 -0.034 0.000 1.207 1393 Y HN 0.669 nan 8.280 nan 0.000 0.463 1394 K N 0.237 120.730 120.400 0.155 0.000 1.770 1394 K HA -0.379 3.937 4.320 -0.007 0.000 0.116 1394 K C 0.924 177.565 176.600 0.067 0.000 1.151 1394 K CA 2.038 58.391 56.287 0.109 0.000 0.383 1394 K CB -0.682 31.880 32.500 0.103 0.000 0.607 1394 K HN 0.748 nan 8.250 nan 0.000 0.907 1395 E N 1.235 121.469 120.200 0.056 0.000 2.455 1395 E HA -0.090 4.256 4.350 -0.007 0.000 0.202 1395 E C 1.166 177.782 176.600 0.027 0.000 1.045 1395 E CA 0.937 57.359 56.400 0.037 0.000 0.872 1395 E CB -0.188 29.532 29.700 0.032 0.000 0.792 1395 E HN 0.261 nan 8.360 nan 0.000 0.542 1396 N N -0.127 118.593 118.700 0.033 0.000 2.467 1396 N HA 0.047 4.782 4.740 -0.007 0.000 0.184 1396 N C 1.340 176.853 175.510 0.005 0.000 1.106 1396 N CA 0.342 53.408 53.050 0.027 0.000 0.892 1396 N CB 0.190 38.699 38.487 0.037 0.000 0.969 1396 N HN 0.268 nan 8.380 nan 0.000 0.454 1397 I N 1.586 122.140 120.570 -0.027 0.000 2.179 1397 I HA -0.168 3.998 4.170 -0.007 0.000 0.242 1397 I C -0.662 175.402 176.117 -0.088 0.000 1.088 1397 I CA 1.246 62.497 61.300 -0.081 0.000 1.357 1397 I CB -1.187 36.748 38.000 -0.108 0.000 1.051 1397 I HN 0.013 nan 8.210 nan 0.000 0.409 1398 P HA -0.178 nan 4.420 nan 0.000 0.215 1398 P C 1.165 178.426 177.300 -0.065 0.000 1.153 1398 P CA 1.614 64.659 63.100 -0.092 0.000 0.853 1398 P CB -0.116 31.557 31.700 -0.045 0.000 0.788 1399 N N -1.313 117.378 118.700 -0.016 0.000 2.166 1399 N HA -0.188 4.547 4.740 -0.007 0.000 0.186 1399 N C 1.509 177.013 175.510 -0.010 0.000 1.019 1399 N CA 0.983 54.032 53.050 -0.001 0.000 0.856 1399 N CB -0.828 37.674 38.487 0.024 0.000 0.993 1399 N HN -0.036 nan 8.380 nan 0.000 0.426 1400 F N 0.720 120.585 119.950 -0.142 0.000 2.113 1400 F HA 0.027 4.550 4.527 -0.007 0.000 0.297 1400 F C 1.815 177.466 175.800 -0.247 0.000 1.103 1400 F CA 1.156 59.049 58.000 -0.177 0.000 1.248 1400 F CB -0.222 38.643 39.000 -0.225 0.000 0.999 1400 F HN 0.046 nan 8.300 nan 0.000 0.475 1401 L N 0.202 121.271 121.223 -0.257 0.000 2.046 1401 L HA -0.224 4.112 4.340 -0.007 0.000 0.208 1401 L C 2.321 179.095 176.870 -0.159 0.000 1.077 1401 L CA 1.522 56.004 54.840 -0.598 0.000 0.747 1401 L CB -0.714 40.640 42.059 -1.175 0.000 0.896 1401 L HN 0.078 nan 8.230 nan 0.000 0.432 1402 K N 0.005 120.370 120.400 -0.060 0.000 2.280 1402 K HA -0.099 4.216 4.320 -0.007 0.000 0.202 1402 K C 1.909 178.529 176.600 0.033 0.000 1.047 1402 K CA 1.068 57.404 56.287 0.081 0.000 0.942 1402 K CB -0.315 32.206 32.500 0.036 0.000 0.739 1402 K HN 0.386 nan 8.250 nan 0.000 0.457 1403 G N 1.408 110.154 108.800 -0.090 0.000 2.813 1403 G HA2 0.066 4.021 3.960 -0.007 0.000 0.209 1403 G HA3 0.066 4.021 3.960 -0.007 0.000 0.209 1403 G C 0.603 175.443 174.900 -0.101 0.000 1.150 1403 G CA 0.006 45.033 45.100 -0.120 0.000 0.785 1403 G HN 0.303 nan 8.290 nan 0.000 0.535 1404 I N -3.682 116.873 120.570 -0.025 0.000 2.892 1404 I HA 0.584 4.750 4.170 -0.007 0.000 0.306 1404 I C -0.832 175.426 176.117 0.235 0.000 1.078 1404 I CA -1.286 60.070 61.300 0.092 0.000 1.032 1404 I CB 2.081 40.127 38.000 0.077 0.000 1.229 1404 I HN -0.225 nan 8.210 nan 0.000 0.435 1405 E N 2.613 122.906 120.200 0.155 0.000 2.415 1405 E HA -0.052 4.293 4.350 -0.007 0.000 0.263 1405 E C 0.536 176.992 176.600 -0.241 0.000 0.995 1405 E CA 0.278 56.652 56.400 -0.043 0.000 0.915 1405 E CB 1.036 30.651 29.700 -0.141 0.000 0.951 1405 E HN 0.715 nan 8.360 nan 0.000 0.449 1406 E N 3.947 123.792 120.200 -0.591 0.000 2.171 1406 E HA -0.285 4.061 4.350 -0.007 0.000 0.197 1406 E C 1.883 177.976 176.600 -0.846 0.000 0.997 1406 E CA 1.462 57.015 56.400 -1.412 0.000 0.810 1406 E CB 0.101 29.069 29.700 -1.221 0.000 0.738 1406 E HN 0.486 nan 8.360 nan 0.000 0.467 1407 R N -0.582 119.604 120.500 -0.524 0.000 2.193 1407 R HA -0.126 4.209 4.340 -0.007 0.000 0.229 1407 R C 1.167 177.346 176.300 -0.203 0.000 1.110 1407 R CA 1.463 57.343 56.100 -0.366 0.000 0.988 1407 R CB -0.352 29.715 30.300 -0.390 0.000 0.871 1407 R HN 0.289 nan 8.270 nan 0.000 0.458 1408 H N -1.139 117.938 119.070 0.012 0.000 2.551 1408 H HA 0.044 4.595 4.556 -0.007 0.000 0.271 1408 H C 0.666 176.231 175.328 0.394 0.000 0.984 1408 H CA -0.206 55.943 56.048 0.169 0.000 1.164 1408 H CB -0.038 29.830 29.762 0.177 0.000 1.437 1408 H HN 0.291 nan 8.280 nan 0.000 0.550 1409 W N 1.765 123.195 121.300 0.218 0.000 2.525 1409 W HA -0.118 4.537 4.660 -0.007 0.000 0.259 1409 W C 1.676 178.367 176.519 0.285 0.000 1.253 1409 W CA 1.050 58.545 57.345 0.250 0.000 1.262 1409 W CB -1.049 28.475 29.460 0.108 0.000 1.122 1409 W HN 0.308 nan 8.180 nan 0.000 0.607 1410 D N -1.550 119.087 120.400 0.394 0.000 2.378 1410 D HA 0.080 4.716 4.640 -0.007 0.000 0.222 1410 D C 1.812 178.221 176.300 0.182 0.000 0.980 1410 D CA 0.710 54.855 54.000 0.242 0.000 0.907 1410 D CB -0.563 40.327 40.800 0.149 0.000 0.899 1410 D HN 0.147 nan 8.370 nan 0.000 0.527 1411 A N -1.221 121.729 122.820 0.217 0.000 2.238 1411 A HA 0.329 4.645 4.320 -0.007 0.000 0.208 1411 A C -0.029 177.317 177.584 -0.396 0.000 1.177 1411 A CA 0.110 52.100 52.037 -0.077 0.000 0.804 1411 A CB -0.389 18.532 19.000 -0.131 0.000 0.823 1411 A HN 0.542 nan 8.150 nan 0.000 0.482 1412 Y N -1.214 119.148 120.300 0.104 0.000 2.665 1412 Y HA 0.672 5.218 4.550 -0.008 0.000 0.336 1412 Y C -0.050 175.874 175.900 0.040 0.000 1.085 1412 Y CA -1.531 56.600 58.100 0.052 0.000 1.096 1412 Y CB 1.263 39.748 38.460 0.041 0.000 1.301 1412 Y HN 0.174 nan 8.280 nan 0.000 0.493 1413 I N -0.131 120.543 120.570 0.174 0.000 2.785 1413 I HA 0.692 4.857 4.170 -0.007 0.000 0.302 1413 I C -1.743 174.431 176.117 0.094 0.000 1.069 1413 I CA -1.247 60.120 61.300 0.112 0.000 1.045 1413 I CB 2.304 40.337 38.000 0.054 0.000 1.236 1413 I HN 0.426 nan 8.210 nan 0.000 0.429 1414 L N 5.113 126.396 121.223 0.100 0.000 2.280 1414 L HA 0.594 4.930 4.340 -0.007 0.000 0.287 1414 L C -0.697 176.291 176.870 0.197 0.000 1.023 1414 L CA -0.273 54.614 54.840 0.078 0.000 0.819 1414 L CB 1.269 43.300 42.059 -0.046 0.000 1.212 1414 L HN 0.813 nan 8.230 nan 0.000 0.420 1415 M N 4.103 123.826 119.600 0.204 0.000 2.364 1415 M HA 0.380 4.855 4.480 -0.007 0.000 0.334 1415 M C -0.248 176.250 176.300 0.330 0.000 1.107 1415 M CA -0.560 54.876 55.300 0.226 0.000 0.988 1415 M CB 1.516 34.171 32.600 0.091 0.000 1.673 1415 M HN 0.703 nan 8.290 nan 0.000 0.441 1416 E N 3.185 123.564 120.200 0.298 0.000 2.452 1416 E HA 0.011 4.356 4.350 -0.007 0.000 0.261 1416 E C -1.286 175.319 176.600 0.010 0.000 0.987 1416 E CA -0.279 56.151 56.400 0.049 0.000 0.926 1416 E CB 0.736 30.463 29.700 0.045 0.000 0.934 1416 E HN 0.649 nan 8.360 nan 0.000 0.452 1417 L N 6.008 127.184 121.223 -0.079 0.000 2.360 1417 L HA 0.239 4.575 4.340 -0.007 0.000 0.276 1417 L C -0.481 176.397 176.870 0.014 0.000 1.121 1417 L CA 0.305 55.149 54.840 0.006 0.000 0.845 1417 L CB 0.516 42.577 42.059 0.004 0.000 1.143 1417 L HN 0.475 nan 8.230 nan 0.000 0.452 1418 I N 4.989 125.590 120.570 0.052 0.000 2.474 1418 I HA 0.167 4.333 4.170 -0.007 0.000 0.287 1418 I C 0.142 176.285 176.117 0.043 0.000 1.048 1418 I CA -0.033 61.299 61.300 0.053 0.000 1.383 1418 I CB 0.622 38.667 38.000 0.076 0.000 1.412 1418 I HN 0.609 nan 8.210 nan 0.000 0.531 1419 E N 7.712 127.931 120.200 0.033 0.000 2.489 1419 E HA 0.277 4.622 4.350 -0.007 0.000 0.232 1419 E C -2.370 174.247 176.600 0.028 0.000 0.990 1419 E CA -1.678 54.736 56.400 0.023 0.000 0.768 1419 E CB 1.032 30.738 29.700 0.011 0.000 1.270 1419 E HN 0.351 nan 8.360 nan 0.000 0.423 1420 P HA 0.137 nan 4.420 nan 0.000 0.278 1420 P C -0.434 176.884 177.300 0.029 0.000 1.266 1420 P CA -0.475 62.649 63.100 0.039 0.000 0.807 1420 P CB 1.291 33.020 31.700 0.048 0.000 1.094 1421 E N 0.139 120.359 120.200 0.034 0.000 2.313 1421 E HA 0.336 4.682 4.350 -0.007 0.000 0.272 1421 E C -0.272 176.341 176.600 0.021 0.000 1.038 1421 E CA -0.693 55.722 56.400 0.025 0.000 0.863 1421 E CB 0.667 30.385 29.700 0.030 0.000 1.060 1421 E HN 0.350 nan 8.360 nan 0.000 0.402 1422 L N 2.155 123.383 121.223 0.008 0.000 2.375 1422 L HA 0.253 4.589 4.340 -0.007 0.000 0.271 1422 L C 0.504 177.372 176.870 -0.003 0.000 1.107 1422 L CA -0.425 54.418 54.840 0.005 0.000 0.806 1422 L CB 0.624 42.682 42.059 -0.001 0.000 1.146 1422 L HN 0.527 nan 8.230 nan 0.000 0.447 1423 N N 1.337 120.035 118.700 -0.003 0.000 2.414 1423 N HA 0.086 4.822 4.740 -0.007 0.000 0.256 1423 N C 0.148 175.640 175.510 -0.029 0.000 1.029 1423 N CA -0.382 52.657 53.050 -0.019 0.000 0.948 1423 N CB 0.770 39.252 38.487 -0.009 0.000 1.102 1423 N HN 0.653 nan 8.380 nan 0.000 0.496 1424 E N 2.068 122.241 120.200 -0.045 0.000 2.481 1424 E HA 0.064 4.409 4.350 -0.007 0.000 0.198 1424 E C -0.393 176.165 176.600 -0.070 0.000 1.027 1424 E CA 0.004 56.374 56.400 -0.051 0.000 0.900 1424 E CB 0.331 30.002 29.700 -0.048 0.000 0.993 1424 E HN 0.561 nan 8.360 nan 0.000 0.482 1425 N N 1.467 120.116 118.700 -0.085 0.000 2.535 1425 N HA 0.118 4.853 4.740 -0.007 0.000 0.294 1425 N C -0.738 174.693 175.510 -0.131 0.000 1.408 1425 N CA 0.004 52.977 53.050 -0.127 0.000 0.927 1425 N CB 0.390 38.777 38.487 -0.167 0.000 1.276 1425 N HN 0.040 nan 8.380 nan 0.000 0.505 1426 N N 0.515 119.184 118.700 -0.051 0.000 2.577 1426 N HA 0.553 5.289 4.740 -0.007 0.000 0.285 1426 N C -1.231 174.325 175.510 0.077 0.000 1.309 1426 N CA -0.380 52.697 53.050 0.046 0.000 0.798 1426 N CB 2.127 40.650 38.487 0.060 0.000 1.463 1426 N HN -0.082 nan 8.380 nan 0.000 0.518 1427 I N 0.970 121.644 120.570 0.173 0.000 2.533 1427 I HA 0.388 4.554 4.170 -0.007 0.000 0.290 1427 I C -0.372 175.808 176.117 0.105 0.000 1.056 1427 I CA -0.801 60.566 61.300 0.113 0.000 1.057 1427 I CB 2.142 40.236 38.000 0.157 0.000 1.240 1427 I HN 0.156 nan 8.210 nan 0.000 0.423 1428 I N 5.764 126.384 120.570 0.083 0.000 2.392 1428 I HA 0.437 4.603 4.170 -0.007 0.000 0.295 1428 I C -0.317 175.982 176.117 0.303 0.000 0.985 1428 I CA -0.663 60.728 61.300 0.152 0.000 1.221 1428 I CB 1.515 39.532 38.000 0.029 0.000 1.366 1428 I HN 0.365 nan 8.210 nan 0.000 0.467 1429 L N 6.277 127.678 121.223 0.296 0.000 2.349 1429 L HA 0.708 5.044 4.340 -0.007 0.000 0.278 1429 L C -0.324 176.734 176.870 0.313 0.000 0.996 1429 L CA -0.163 54.853 54.840 0.294 0.000 0.825 1429 L CB 1.218 43.380 42.059 0.172 0.000 1.243 1429 L HN 0.766 nan 8.230 nan 0.000 0.412 1430 R N 3.805 124.512 120.500 0.346 0.000 2.522 1430 R HA 0.359 4.695 4.340 -0.007 0.000 0.283 1430 R C -1.047 175.335 176.300 0.136 0.000 1.074 1430 R CA -0.353 55.855 56.100 0.180 0.000 0.925 1430 R CB 1.101 31.374 30.300 -0.045 0.000 1.205 1430 R HN 0.759 nan 8.270 nan 0.000 0.436 1431 D N 2.997 123.440 120.400 0.072 0.000 2.751 1431 D HA -0.229 4.406 4.640 -0.007 0.000 0.233 1431 D C -0.164 176.179 176.300 0.072 0.000 1.149 1431 D CA 1.741 55.776 54.000 0.058 0.000 0.682 1431 D CB -0.821 40.002 40.800 0.038 0.000 1.068 1431 D HN 0.882 nan 8.370 nan 0.000 0.429 1432 N N -2.418 116.329 118.700 0.079 0.000 2.948 1432 N HA -0.212 4.523 4.740 -0.007 0.000 0.239 1432 N C -1.129 174.414 175.510 0.055 0.000 0.954 1432 N CA 1.660 54.748 53.050 0.062 0.000 0.941 1432 N CB -0.499 38.012 38.487 0.041 0.000 1.101 1432 N HN 0.337 nan 8.380 nan 0.000 0.579 1433 K N -0.244 120.209 120.400 0.089 0.000 2.221 1433 K HA 0.763 5.079 4.320 -0.007 0.000 0.258 1433 K C 0.200 176.797 176.600 -0.006 0.000 0.944 1433 K CA -0.319 55.964 56.287 -0.006 0.000 0.823 1433 K CB 1.764 34.237 32.500 -0.045 0.000 1.113 1433 K HN 0.383 nan 8.250 nan 0.000 0.431 1434 S N 0.671 116.286 115.700 -0.142 0.000 2.608 1434 S HA 0.713 5.178 4.470 -0.007 0.000 0.291 1434 S C -0.840 173.565 174.600 -0.326 0.000 1.146 1434 S CA -0.803 57.365 58.200 -0.053 0.000 1.043 1434 S CB 0.237 63.431 63.200 -0.011 0.000 1.037 1434 S HN 0.588 nan 8.310 nan 0.000 0.520 1435 Y N 0.602 120.870 120.300 -0.054 0.000 2.373 1435 Y HA 0.475 5.020 4.550 -0.008 0.000 0.336 1435 Y C -0.040 175.701 175.900 -0.265 0.000 0.979 1435 Y CA -1.063 56.909 58.100 -0.214 0.000 1.080 1435 Y CB 1.581 39.758 38.460 -0.473 0.000 1.190 1435 Y HN 0.735 nan 8.280 nan 0.000 0.446 1436 N N 3.869 122.508 118.700 -0.103 0.000 2.817 1436 N HA 0.200 4.936 4.740 -0.007 0.000 0.234 1436 N C -1.191 174.233 175.510 -0.144 0.000 1.066 1436 N CA -0.148 52.843 53.050 -0.098 0.000 0.926 1436 N CB 0.202 38.653 38.487 -0.059 0.000 1.176 1436 N HN 0.619 nan 8.380 nan 0.000 0.506 1437 E N 1.579 121.639 120.200 -0.233 0.000 2.367 1437 E HA 0.458 4.804 4.350 -0.007 0.000 0.273 1437 E C -2.586 173.940 176.600 -0.124 0.000 0.903 1437 E CA -1.760 54.514 56.400 -0.209 0.000 0.764 1437 E CB 1.948 31.405 29.700 -0.404 0.000 1.252 1437 E HN 0.365 nan 8.360 nan 0.000 0.446 1438 P HA 0.220 nan 4.420 nan 0.000 0.271 1438 P C -0.153 177.159 177.300 0.020 0.000 1.216 1438 P CA -0.008 63.082 63.100 -0.016 0.000 0.776 1438 P CB 0.508 32.204 31.700 -0.007 0.000 0.881 1439 I N 0.167 120.747 120.570 0.017 0.000 2.892 1439 I HA 0.603 4.769 4.170 -0.007 0.000 0.306 1439 I C -0.451 175.681 176.117 0.026 0.000 1.078 1439 I CA -1.685 59.640 61.300 0.040 0.000 1.032 1439 I CB 2.453 40.477 38.000 0.039 0.000 1.229 1439 I HN 0.207 nan 8.210 nan 0.000 0.435 1440 I N 2.677 123.262 120.570 0.024 0.000 2.460 1440 I HA 0.508 4.673 4.170 -0.007 0.000 0.298 1440 I C -0.708 175.427 176.117 0.029 0.000 0.989 1440 I CA -0.102 61.210 61.300 0.020 0.000 1.173 1440 I CB 1.730 39.733 38.000 0.005 0.000 1.338 1440 I HN 0.716 nan 8.210 nan 0.000 0.456 1441 S N 5.968 121.693 115.700 0.041 0.000 2.561 1441 S HA 0.338 4.804 4.470 -0.007 0.000 0.303 1441 S C -0.875 173.763 174.600 0.065 0.000 1.110 1441 S CA -0.582 57.649 58.200 0.051 0.000 1.034 1441 S CB 1.421 64.656 63.200 0.058 0.000 1.010 1441 S HN 0.659 nan 8.310 nan 0.000 0.482 1442 E N 2.620 122.855 120.200 0.059 0.000 2.113 1442 E HA 0.365 4.710 4.350 -0.007 0.000 0.273 1442 E C -1.086 175.565 176.600 0.085 0.000 0.924 1442 E CA -0.773 55.668 56.400 0.068 0.000 0.764 1442 E CB 0.645 30.367 29.700 0.037 0.000 1.104 1442 E HN 0.450 nan 8.360 nan 0.000 0.406 1443 L N 4.647 125.955 121.223 0.142 0.000 2.361 1443 L HA 0.458 4.793 4.340 -0.007 0.000 0.278 1443 L C -0.059 176.908 176.870 0.162 0.000 1.113 1443 L CA 0.370 55.323 54.840 0.188 0.000 0.849 1443 L CB 0.910 43.127 42.059 0.263 0.000 1.155 1443 L HN 0.533 nan 8.230 nan 0.000 0.452 1444 G N 6.288 115.134 108.800 0.076 0.000 2.415 1444 G HA2 0.627 4.582 3.960 -0.007 0.000 0.327 1444 G HA3 0.627 4.582 3.960 -0.007 0.000 0.327 1444 G C -1.065 173.798 174.900 -0.062 0.000 1.182 1444 G CA -0.503 44.550 45.100 -0.079 0.000 0.924 1444 G HN 0.464 nan 8.290 nan 0.000 0.470 1445 I N 1.988 122.522 120.570 -0.061 0.000 2.418 1445 I HA 0.284 4.449 4.170 -0.007 0.000 0.287 1445 I C -0.734 175.360 176.117 -0.038 0.000 1.008 1445 I CA -1.248 60.109 61.300 0.096 0.000 1.104 1445 I CB 1.231 39.421 38.000 0.317 0.000 1.264 1445 I HN 0.420 nan 8.210 nan 0.000 0.438 1446 Y N 3.747 124.102 120.300 0.091 0.000 2.301 1446 Y HA 0.637 5.182 4.550 -0.007 0.000 0.328 1446 Y C 1.161 177.078 175.900 0.028 0.000 1.242 1446 Y CA -0.151 57.953 58.100 0.007 0.000 1.323 1446 Y CB 1.501 39.920 38.460 -0.068 0.000 1.266 1446 Y HN 0.646 nan 8.280 nan 0.000 0.527 1447 G N 0.153 109.081 108.800 0.214 0.000 2.759 1447 G HA2 0.520 4.475 3.960 -0.007 0.000 0.297 1447 G HA3 0.520 4.475 3.960 -0.007 0.000 0.297 1447 G C -2.137 172.796 174.900 0.055 0.000 1.434 1447 G CA -0.654 44.557 45.100 0.184 0.000 0.980 1447 G HN 0.731 nan 8.290 nan 0.000 0.531 1448 C N 0.777 120.070 119.300 -0.012 0.000 2.441 1448 C HA 0.830 5.285 4.460 -0.007 0.000 0.318 1448 C C -0.115 174.837 174.990 -0.063 0.000 1.222 1448 C CA -0.741 58.198 59.018 -0.132 0.000 1.474 1448 C CB 0.857 28.505 27.740 -0.154 0.000 2.125 1448 C HN 0.772 nan 8.230 nan 0.000 0.479 1449 V N 5.168 125.027 119.914 -0.091 0.000 2.623 1449 V HA 0.702 4.818 4.120 -0.007 0.000 0.304 1449 V C -1.288 174.933 176.094 0.212 0.000 1.054 1449 V CA -0.418 61.929 62.300 0.079 0.000 0.882 1449 V CB 1.662 33.558 31.823 0.122 0.000 1.002 1449 V HN 0.778 nan 8.190 nan 0.000 0.424 1450 L N 8.905 130.255 121.223 0.212 0.000 2.282 1450 L HA 0.898 5.233 4.340 -0.007 0.000 0.288 1450 L C -0.804 176.292 176.870 0.377 0.000 1.033 1450 L CA 0.113 55.084 54.840 0.218 0.000 0.807 1450 L CB 1.018 43.151 42.059 0.124 0.000 1.209 1450 L HN 0.717 nan 8.230 nan 0.000 0.423 1451 F N 2.839 122.849 119.950 0.099 0.000 2.713 1451 F HA 0.726 5.249 4.527 -0.008 0.000 0.311 1451 F C -0.816 174.915 175.800 -0.115 0.000 1.141 1451 F CA -0.951 57.062 58.000 0.022 0.000 0.939 1451 F CB 0.874 39.900 39.000 0.044 0.000 1.325 1451 F HN 0.544 nan 8.300 nan 0.000 0.453 1452 N N -0.985 117.588 118.700 -0.213 0.000 3.357 1452 N HA 0.319 5.055 4.740 -0.007 0.000 0.359 1452 N C -0.045 175.406 175.510 -0.097 0.000 1.477 1452 N CA -0.197 52.595 53.050 -0.430 0.000 0.645 1452 N CB -0.241 37.703 38.487 -0.905 0.000 1.703 1452 N HN 0.531 nan 8.380 nan 0.000 0.597 1453 D N -1.157 119.178 120.400 -0.107 0.000 2.219 1453 D HA -0.034 4.602 4.640 -0.007 0.000 0.205 1453 D C 0.444 176.777 176.300 0.055 0.000 0.970 1453 D CA 1.173 55.181 54.000 0.014 0.000 0.851 1453 D CB 0.135 40.935 40.800 -0.000 0.000 0.943 1453 D HN 0.553 nan 8.370 nan 0.000 0.488 1454 E N -1.120 119.091 120.200 0.019 0.000 2.489 1454 E HA 0.118 4.463 4.350 -0.007 0.000 0.208 1454 E C 0.257 176.885 176.600 0.047 0.000 0.814 1454 E CA -0.182 56.242 56.400 0.040 0.000 1.348 1454 E CB 0.664 30.377 29.700 0.021 0.000 1.334 1454 E HN 0.161 nan 8.360 nan 0.000 0.672 1455 Q N 0.131 119.944 119.800 0.021 0.000 2.205 1455 Q HA 0.595 4.930 4.340 -0.007 0.000 0.249 1455 Q C -0.698 175.368 176.000 0.109 0.000 0.948 1455 Q CA -0.393 55.438 55.803 0.047 0.000 0.895 1455 Q CB 2.086 30.842 28.738 0.030 0.000 1.249 1455 Q HN 0.090 nan 8.270 nan 0.000 0.458 1456 V N 3.421 123.408 119.914 0.122 0.000 2.350 1456 V HA 0.216 4.331 4.120 -0.007 0.000 0.285 1456 V C 0.342 176.528 176.094 0.153 0.000 1.014 1456 V CA -0.249 62.151 62.300 0.167 0.000 0.831 1456 V CB 1.090 32.973 31.823 0.100 0.000 1.000 1456 V HN 0.768 nan 8.190 nan 0.000 0.433 1457 L N 2.455 123.795 121.223 0.195 0.000 2.408 1457 L HA 0.308 4.643 4.340 -0.007 0.000 0.215 1457 L C 0.899 177.844 176.870 0.126 0.000 1.081 1457 L CA 0.814 55.757 54.840 0.171 0.000 0.840 1457 L CB 0.720 42.926 42.059 0.244 0.000 1.002 1457 L HN 0.662 nan 8.230 nan 0.000 0.468 1458 S N 0.187 115.962 115.700 0.124 0.000 2.546 1458 S HA 0.491 4.956 4.470 -0.007 0.000 0.272 1458 S C -1.337 173.319 174.600 0.093 0.000 1.140 1458 S CA -0.590 57.661 58.200 0.085 0.000 0.920 1458 S CB 1.481 64.710 63.200 0.049 0.000 1.083 1458 S HN 0.213 nan 8.310 nan 0.000 0.476 1459 N N 3.271 122.023 118.700 0.086 0.000 2.572 1459 N HA 0.370 5.105 4.740 -0.007 0.000 0.287 1459 N C -1.598 173.977 175.510 0.108 0.000 1.136 1459 N CA -0.301 52.809 53.050 0.101 0.000 0.900 1459 N CB 1.372 39.922 38.487 0.105 0.000 1.484 1459 N HN 0.770 nan 8.380 nan 0.000 0.526 1460 E N 1.447 121.715 120.200 0.112 0.000 2.429 1460 E HA 0.291 4.636 4.350 -0.007 0.000 0.276 1460 E C -1.107 175.612 176.600 0.199 0.000 0.953 1460 E CA -0.928 55.558 56.400 0.145 0.000 0.787 1460 E CB 1.923 31.682 29.700 0.098 0.000 1.307 1460 E HN 0.388 nan 8.360 nan 0.000 0.458 1461 F N 0.928 120.938 119.950 0.101 0.000 2.443 1461 F HA 0.234 4.757 4.527 -0.007 0.000 0.353 1461 F C 0.160 176.033 175.800 0.123 0.000 1.101 1461 F CA 0.169 58.241 58.000 0.120 0.000 1.226 1461 F CB 0.949 40.008 39.000 0.097 0.000 1.140 1461 F HN 0.233 nan 8.300 nan 0.000 0.557 1462 S N 3.786 119.143 115.700 -0.571 0.000 2.843 1462 S HA 0.576 5.041 4.470 -0.007 0.000 0.249 1462 S C 0.066 174.344 174.600 -0.538 0.000 1.047 1462 S CA -0.073 57.839 58.200 -0.480 0.000 1.042 1462 S CB -0.200 62.893 63.200 -0.179 0.000 0.936 1462 S HN 1.372 nan 8.310 nan 0.000 0.531 1463 G N 1.627 109.736 108.800 -1.151 0.000 2.408 1463 G HA2 0.172 4.127 3.960 -0.007 0.000 0.682 1463 G HA3 0.172 4.127 3.960 -0.007 0.000 0.682 1463 G C -0.653 174.402 174.900 0.258 0.000 1.303 1463 G CA -0.425 44.495 45.100 -0.300 0.000 0.966 1463 G HN 0.825 nan 8.290 nan 0.000 0.560 1464 S N -1.496 114.475 115.700 0.452 0.000 2.704 1464 S HA 0.943 5.408 4.470 -0.007 0.000 0.296 1464 S C -0.981 173.861 174.600 0.402 0.000 1.138 1464 S CA -0.257 58.216 58.200 0.455 0.000 0.875 1464 S CB 2.408 65.971 63.200 0.604 0.000 1.151 1464 S HN 2.318 nan 8.310 nan 0.000 0.500 1465 L N -0.024 121.351 121.223 0.253 0.000 2.556 1465 L HA 0.824 5.159 4.340 -0.007 0.000 0.257 1465 L C -2.431 174.517 176.870 0.129 0.000 0.955 1465 L CA -0.626 54.329 54.840 0.192 0.000 0.850 1465 L CB 2.046 44.176 42.059 0.117 0.000 1.398 1465 L HN 0.868 nan 8.230 nan 0.000 0.412 1466 L N 3.659 124.935 121.223 0.088 0.000 2.446 1466 L HA 0.623 4.959 4.340 -0.007 0.000 0.268 1466 L C -1.104 175.778 176.870 0.019 0.000 0.975 1466 L CA -0.122 54.759 54.840 0.068 0.000 0.848 1466 L CB 1.360 43.464 42.059 0.076 0.000 1.225 1466 L HN 0.628 nan 8.230 nan 0.000 0.410 1467 R N 3.134 123.641 120.500 0.011 0.000 2.294 1467 R HA 0.721 5.056 4.340 -0.007 0.000 0.319 1467 R C -0.647 175.657 176.300 0.007 0.000 0.984 1467 R CA -0.515 55.572 56.100 -0.022 0.000 0.861 1467 R CB 1.704 31.994 30.300 -0.015 0.000 1.104 1467 R HN 0.576 nan 8.270 nan 0.000 0.451 1468 S N 2.165 117.869 115.700 0.008 0.000 2.568 1468 S HA 0.576 5.041 4.470 -0.007 0.000 0.302 1468 S C -0.824 173.785 174.600 0.015 0.000 1.082 1468 S CA -0.933 57.281 58.200 0.024 0.000 1.009 1468 S CB 1.841 65.066 63.200 0.041 0.000 1.069 1468 S HN 0.617 nan 8.310 nan 0.000 0.500 1469 K N 0.505 120.910 120.400 0.009 0.000 2.555 1469 K HA 0.692 5.008 4.320 -0.007 0.000 0.279 1469 K C -1.517 175.088 176.600 0.008 0.000 0.986 1469 K CA -0.982 55.280 56.287 -0.040 0.000 0.880 1469 K CB 1.250 33.690 32.500 -0.099 0.000 1.474 1469 K HN 0.565 nan 8.250 nan 0.000 0.433 1470 F N -0.917 118.888 119.950 -0.242 0.000 2.620 1470 F HA 0.653 5.176 4.527 -0.008 0.000 0.320 1470 F C -1.149 174.539 175.800 -0.186 0.000 1.069 1470 F CA -0.845 57.034 58.000 -0.202 0.000 0.953 1470 F CB 2.175 41.041 39.000 -0.223 0.000 1.322 1470 F HN 0.572 nan 8.300 nan 0.000 0.479 1471 N N 1.139 119.777 118.700 -0.104 0.000 2.572 1471 N HA 0.322 5.058 4.740 -0.007 0.000 0.287 1471 N C -1.944 173.564 175.510 -0.004 0.000 1.136 1471 N CA 0.128 53.072 53.050 -0.178 0.000 0.900 1471 N CB 2.223 40.612 38.487 -0.164 0.000 1.484 1471 N HN 1.042 nan 8.380 nan 0.000 0.526 1472 T N 0.564 115.147 114.554 0.048 0.000 2.841 1472 T HA 0.597 4.942 4.350 -0.007 0.000 0.296 1472 T C -1.301 173.443 174.700 0.073 0.000 1.166 1472 T CA -0.233 61.924 62.100 0.094 0.000 1.007 1472 T CB 1.074 70.051 68.868 0.182 0.000 1.253 1472 T HN 0.204 nan 8.240 nan 0.000 0.511 1473 S N 3.213 118.950 115.700 0.063 0.000 2.566 1473 S HA 0.665 5.130 4.470 -0.007 0.000 0.324 1473 S C -0.453 174.187 174.600 0.066 0.000 1.081 1473 S CA -0.828 57.406 58.200 0.056 0.000 1.105 1473 S CB 0.487 63.708 63.200 0.035 0.000 0.981 1473 S HN 0.850 nan 8.310 nan 0.000 0.464 1474 N N 1.220 119.970 118.700 0.082 0.000 3.526 1474 N HA 0.155 4.891 4.740 -0.007 0.000 0.328 1474 N C 0.607 176.166 175.510 0.082 0.000 1.601 1474 N CA -0.785 52.311 53.050 0.078 0.000 0.834 1474 N CB -0.029 38.513 38.487 0.091 0.000 1.983 1474 N HN 0.244 nan 8.380 nan 0.000 0.579 1475 E N -0.645 119.600 120.200 0.075 0.000 2.333 1475 E HA -0.100 4.245 4.350 -0.007 0.000 0.200 1475 E C 1.238 177.895 176.600 0.094 0.000 1.010 1475 E CA 1.803 58.245 56.400 0.070 0.000 0.841 1475 E CB -0.969 28.763 29.700 0.054 0.000 0.757 1475 E HN 0.728 nan 8.360 nan 0.000 0.508 1476 G N 0.476 109.358 108.800 0.136 0.000 2.777 1476 G HA2 0.353 4.309 3.960 -0.007 0.000 0.211 1476 G HA3 0.353 4.309 3.960 -0.007 0.000 0.211 1476 G C 0.622 175.608 174.900 0.144 0.000 1.149 1476 G CA 0.302 45.509 45.100 0.178 0.000 0.785 1476 G HN 0.691 nan 8.290 nan 0.000 0.536 1477 G N -1.694 107.173 108.800 0.111 0.000 2.340 1477 G HA2 0.189 4.145 3.960 -0.007 0.000 0.527 1477 G HA3 0.189 4.145 3.960 -0.007 0.000 0.527 1477 G C -1.121 173.821 174.900 0.069 0.000 1.381 1477 G CA -0.514 44.636 45.100 0.082 0.000 1.001 1477 G HN 0.545 nan 8.290 nan 0.000 0.626 1478 V N 1.254 121.196 119.914 0.048 0.000 2.530 1478 V HA 0.514 4.629 4.120 -0.007 0.000 0.282 1478 V C 1.512 177.619 176.094 0.021 0.000 1.048 1478 V CA 1.422 63.743 62.300 0.035 0.000 0.997 1478 V CB 0.675 32.515 31.823 0.028 0.000 0.987 1478 V HN 2.765 nan 8.190 nan 0.000 0.477 1479 A N 3.660 126.485 122.820 0.008 0.000 2.791 1479 A HA -0.056 4.259 4.320 -0.007 0.000 0.292 1479 A C 0.699 178.258 177.584 -0.043 0.000 1.487 1479 A CA 0.670 52.693 52.037 -0.024 0.000 0.760 1479 A CB -1.664 17.324 19.000 -0.021 0.000 1.031 1479 A HN 1.912 nan 8.150 nan 0.000 0.503 1480 A N -0.691 122.117 122.820 -0.019 0.000 2.304 1480 A HA 0.914 5.230 4.320 -0.007 0.000 0.271 1480 A C 1.272 178.698 177.584 -0.263 0.000 1.091 1480 A CA 0.637 52.657 52.037 -0.028 0.000 0.812 1480 A CB 0.745 19.812 19.000 0.112 0.000 1.056 1480 A HN 2.804 nan 8.150 nan 0.000 0.489 1481 G N -0.874 107.654 108.800 -0.454 0.000 2.345 1481 G HA2 0.571 4.527 3.960 -0.007 0.000 0.310 1481 G HA3 0.571 4.527 3.960 -0.007 0.000 0.310 1481 G C -0.984 173.516 174.900 -0.667 0.000 1.476 1481 G CA -0.195 44.100 45.100 -1.341 0.000 0.978 1481 G HN 2.117 nan 8.290 nan 0.000 0.656 1482 F N -1.859 117.614 119.950 -0.794 0.000 2.858 1482 F HA 0.864 5.387 4.527 -0.007 0.000 0.319 1482 F C 0.266 175.938 175.800 -0.213 0.000 1.166 1482 F CA -0.789 57.010 58.000 -0.336 0.000 0.899 1482 F CB 0.639 39.513 39.000 -0.211 0.000 1.332 1482 F HN 1.173 nan 8.300 nan 0.000 0.461 1483 G N -0.858 108.043 108.800 0.168 0.000 2.488 1483 G HA2 0.681 4.637 3.960 -0.007 0.000 0.318 1483 G HA3 0.681 4.637 3.960 -0.007 0.000 0.318 1483 G C -1.117 173.911 174.900 0.213 0.000 1.188 1483 G CA -0.358 44.802 45.100 0.101 0.000 0.944 1483 G HN 1.658 nan 8.290 nan 0.000 0.495 1484 C N -1.043 118.313 119.300 0.093 0.000 3.321 1484 C HA 0.731 5.186 4.460 -0.007 0.000 0.329 1484 C C -0.579 174.379 174.990 -0.052 0.000 1.394 1484 C CA -1.302 57.761 59.018 0.075 0.000 1.291 1484 C CB 0.339 28.183 27.740 0.175 0.000 1.606 1484 C HN 0.691 nan 8.230 nan 0.000 0.463 1485 L N 2.127 123.293 121.223 -0.096 0.000 2.305 1485 L HA 0.515 4.850 4.340 -0.007 0.000 0.281 1485 L C -0.003 176.844 176.870 -0.038 0.000 1.085 1485 L CA 0.633 55.387 54.840 -0.145 0.000 0.813 1485 L CB 0.777 42.722 42.059 -0.190 0.000 1.157 1485 L HN 0.754 nan 8.230 nan 0.000 0.436 1486 D N 0.860 121.253 120.400 -0.013 0.000 2.553 1486 D HA 0.629 5.265 4.640 -0.007 0.000 0.249 1486 D C -0.832 175.496 176.300 0.047 0.000 1.062 1486 D CA -0.183 53.857 54.000 0.066 0.000 1.085 1486 D CB 2.259 43.103 40.800 0.072 0.000 1.350 1486 D HN 0.477 nan 8.370 nan 0.000 0.575 1487 S N -0.614 115.160 115.700 0.123 0.000 2.661 1487 S HA 0.724 5.190 4.470 -0.007 0.000 0.285 1487 S C -0.703 173.926 174.600 0.048 0.000 1.138 1487 S CA -0.805 57.446 58.200 0.084 0.000 0.855 1487 S CB 0.895 64.170 63.200 0.126 0.000 1.136 1487 S HN 0.373 nan 8.310 nan 0.000 0.484 1488 I N 1.318 121.876 120.570 -0.020 0.000 2.412 1488 I HA 0.541 4.707 4.170 -0.007 0.000 0.296 1488 I C -1.068 174.961 176.117 -0.146 0.000 0.987 1488 I CA -0.846 60.403 61.300 -0.085 0.000 1.180 1488 I CB 1.721 39.616 38.000 -0.175 0.000 1.340 1488 I HN 0.636 nan 8.210 nan 0.000 0.455 1489 I N 7.249 127.740 120.570 -0.132 0.000 2.410 1489 I HA 0.394 4.560 4.170 -0.007 0.000 0.286 1489 I C -0.777 175.331 176.117 -0.016 0.000 1.009 1489 I CA -0.185 61.025 61.300 -0.150 0.000 1.111 1489 I CB 0.926 38.755 38.000 -0.285 0.000 1.262 1489 I HN 0.401 nan 8.210 nan 0.000 0.443 1490 L N 8.344 129.544 121.223 -0.039 0.000 2.395 1490 L HA 0.443 4.779 4.340 -0.007 0.000 0.269 1490 L C -0.583 176.370 176.870 0.139 0.000 1.133 1490 L CA -0.378 54.464 54.840 0.003 0.000 0.812 1490 L CB 0.643 42.649 42.059 -0.088 0.000 1.125 1490 L HN 0.703 nan 8.230 nan 0.000 0.452 1491 Y N 0.000 120.289 120.300 -0.018 0.000 2.660 1491 Y HA 0.000 4.545 4.550 -0.008 0.000 0.201 1491 Y CA 0.000 58.098 58.100 -0.003 0.000 1.940 1491 Y CB 0.000 38.459 38.460 -0.002 0.000 1.050 1491 Y HN 0.000 nan 8.280 nan 0.000 0.758