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 1gc4_1_C DATA FIRST_RESID 1001 DATA SEQUENCE MRGLSRRVQA MKPDAVVAVN AKALELRRQG VDLVALTAGE PDFDTPEHVK DATA SEQUENCE EAARRALAQG KTKYAPPAGI PELREALAEK FRRENGLSVT PEETIVTVGG DATA SEQUENCE SQALFNLFQA ILDPGDEVIV LSPYWVSYPE MVRFAGGVVV EVETLPEEGF DATA SEQUENCE VPDPERVRRA ITPRTKALVV NSPNNPTGAV YPKEVLEALA RLAVEHDFYL DATA SEQUENCE VSDEIYEHLL YEGEHFSPGR VAPEHTLTVN GAAKAFAMTG WRIGYACGPK DATA SEQUENCE EVIKAMASVS RQSTTSPDTI AQWATLEALT NQEASRAFVE MAREAYRRRR DATA SEQUENCE DLLLEGLTAL GLKAVRPSGA FYVLMDTSPI APDEVRAAER LLEAGVAVVP DATA SEQUENCE GTDFAAFGHV RLSYATSEEN LRKALERFAR VL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1001 M HA 0.000 nan 4.480 nan 0.000 0.227 1001 M C 0.000 176.301 176.300 0.001 0.000 1.140 1001 M CA 0.000 55.300 55.300 0.000 0.000 0.988 1001 M CB 0.000 32.600 32.600 -0.000 0.000 1.302 1002 R N 0.660 121.161 120.500 0.002 0.000 2.747 1002 R HA 0.745 5.086 4.340 0.001 0.000 0.278 1002 R C -0.028 176.274 176.300 0.003 0.000 1.153 1002 R CA 0.910 57.013 56.100 0.003 0.000 1.206 1002 R CB 0.593 30.895 30.300 0.004 0.000 1.161 1002 R HN 0.966 nan 8.270 nan 0.000 0.589 1003 G N -0.120 108.683 108.800 0.005 0.000 2.465 1003 G HA2 -0.022 3.939 3.960 0.001 0.000 0.681 1003 G HA3 -0.022 3.939 3.960 0.001 0.000 0.681 1003 G C -1.388 173.517 174.900 0.008 0.000 1.340 1003 G CA -1.131 43.972 45.100 0.006 0.000 0.884 1003 G HN 0.287 nan 8.290 nan 0.000 0.650 1004 L N 1.343 122.573 121.223 0.011 0.000 2.453 1004 L HA 0.589 4.930 4.340 0.001 0.000 0.261 1004 L C 1.756 178.632 176.870 0.010 0.000 1.179 1004 L CA 0.337 55.187 54.840 0.016 0.000 0.813 1004 L CB 0.945 43.017 42.059 0.023 0.000 1.110 1004 L HN 1.058 nan 8.230 nan 0.000 0.466 1005 S N 1.399 117.105 115.700 0.010 0.000 2.634 1005 S HA 0.201 4.672 4.470 0.001 0.000 0.254 1005 S C 0.712 175.304 174.600 -0.013 0.000 1.299 1005 S CA -0.244 57.950 58.200 -0.009 0.000 0.974 1005 S CB 0.297 63.484 63.200 -0.021 0.000 1.001 1005 S HN 0.645 nan 8.310 nan 0.000 0.584 1006 R N -0.395 120.083 120.500 -0.037 0.000 2.472 1006 R HA 0.321 4.662 4.340 0.001 0.000 0.279 1006 R C 1.650 177.918 176.300 -0.055 0.000 0.953 1006 R CA -0.107 55.972 56.100 -0.034 0.000 1.088 1006 R CB -0.302 29.978 30.300 -0.034 0.000 1.197 1006 R HN 0.780 nan 8.270 nan 0.000 0.536 1007 R N -0.638 119.801 120.500 -0.102 0.000 2.254 1007 R HA 0.208 4.549 4.340 0.001 0.000 0.193 1007 R C 1.257 177.561 176.300 0.007 0.000 0.929 1007 R CA 0.251 56.235 56.100 -0.193 0.000 1.038 1007 R CB 0.035 30.020 30.300 -0.525 0.000 1.009 1007 R HN 0.091 nan 8.270 nan 0.000 0.512 1008 V N 0.567 120.550 119.914 0.115 0.000 3.590 1008 V HA 0.074 4.195 4.120 0.001 0.000 0.265 1008 V C 1.577 177.754 176.094 0.138 0.000 1.239 1008 V CA 0.861 63.335 62.300 0.289 0.000 1.117 1008 V CB 0.434 32.410 31.823 0.255 0.000 0.818 1008 V HN 0.394 nan 8.190 nan 0.000 0.451 1009 Q N -0.591 119.254 119.800 0.075 0.000 2.354 1009 Q HA 0.161 4.502 4.340 0.001 0.000 0.203 1009 Q C 1.946 177.969 176.000 0.039 0.000 0.933 1009 Q CA 1.009 56.839 55.803 0.044 0.000 0.901 1009 Q CB 0.195 28.946 28.738 0.022 0.000 1.007 1009 Q HN 0.675 nan 8.270 nan 0.000 0.495 1010 A N 0.529 123.375 122.820 0.044 0.000 2.238 1010 A HA 0.147 4.467 4.320 0.001 0.000 0.210 1010 A C 0.993 178.605 177.584 0.046 0.000 1.179 1010 A CA -0.287 51.769 52.037 0.033 0.000 0.827 1010 A CB -0.216 18.791 19.000 0.013 0.000 0.856 1010 A HN 0.409 nan 8.150 nan 0.000 0.488 1011 M N -0.326 119.322 119.600 0.080 0.000 2.238 1011 M HA 0.369 4.849 4.480 0.001 0.000 0.347 1011 M C -0.464 175.847 176.300 0.018 0.000 1.173 1011 M CA -0.017 55.321 55.300 0.064 0.000 1.147 1011 M CB 0.441 33.101 32.600 0.100 0.000 1.547 1011 M HN -0.207 nan 8.290 nan 0.000 0.455 1012 K N 2.773 123.168 120.400 -0.009 0.000 2.144 1012 K HA 0.532 4.852 4.320 0.001 0.000 0.270 1012 K C -2.333 174.242 176.600 -0.041 0.000 1.005 1012 K CA -1.360 54.914 56.287 -0.022 0.000 0.932 1012 K CB 0.577 33.056 32.500 -0.033 0.000 1.021 1012 K HN 0.510 nan 8.250 nan 0.000 0.462 1013 P HA 0.102 nan 4.420 nan 0.000 0.272 1013 P C -0.871 176.394 177.300 -0.059 0.000 1.230 1013 P CA -0.296 62.782 63.100 -0.037 0.000 0.788 1013 P CB 0.468 32.158 31.700 -0.016 0.000 0.949 1014 D N -0.230 120.135 120.400 -0.058 0.000 2.351 1014 D HA 0.297 4.938 4.640 0.001 0.000 0.251 1014 D C 0.997 177.277 176.300 -0.033 0.000 1.137 1014 D CA 0.080 54.039 54.000 -0.070 0.000 0.879 1014 D CB 0.917 41.689 40.800 -0.047 0.000 1.181 1014 D HN 0.267 nan 8.370 nan 0.000 0.448 1015 A N 2.867 125.661 122.820 -0.043 0.000 1.929 1015 A HA -0.094 4.227 4.320 0.001 0.000 0.216 1015 A C 2.075 179.699 177.584 0.067 0.000 1.176 1015 A CA 1.271 53.320 52.037 0.019 0.000 0.628 1015 A CB -0.646 18.375 19.000 0.035 0.000 0.816 1015 A HN 0.511 nan 8.150 nan 0.000 0.444 1016 V N -0.476 119.486 119.914 0.079 0.000 2.270 1016 V HA -0.174 3.946 4.120 0.001 0.000 0.245 1016 V C 2.175 178.316 176.094 0.078 0.000 1.043 1016 V CA 2.616 64.987 62.300 0.118 0.000 1.014 1016 V CB -0.868 31.055 31.823 0.166 0.000 0.645 1016 V HN 0.243 nan 8.190 nan 0.000 0.447 1017 V N 1.088 121.033 119.914 0.052 0.000 2.324 1017 V HA -0.258 3.863 4.120 0.001 0.000 0.250 1017 V C 3.059 179.172 176.094 0.031 0.000 1.060 1017 V CA 2.489 64.810 62.300 0.035 0.000 1.042 1017 V CB -1.491 30.340 31.823 0.014 0.000 0.650 1017 V HN 0.749 nan 8.190 nan 0.000 0.450 1018 A N -0.617 122.220 122.820 0.029 0.000 1.898 1018 A HA -0.145 4.176 4.320 0.001 0.000 0.216 1018 A C 2.371 179.978 177.584 0.038 0.000 1.181 1018 A CA 2.009 54.063 52.037 0.028 0.000 0.620 1018 A CB -0.594 18.420 19.000 0.025 0.000 0.819 1018 A HN 0.343 nan 8.150 nan 0.000 0.442 1019 V N 0.707 120.652 119.914 0.051 0.000 2.453 1019 V HA -0.208 3.913 4.120 0.001 0.000 0.247 1019 V C 2.405 178.530 176.094 0.051 0.000 1.048 1019 V CA 1.940 64.274 62.300 0.057 0.000 1.049 1019 V CB -0.910 30.958 31.823 0.075 0.000 0.672 1019 V HN 0.548 nan 8.190 nan 0.000 0.457 1020 N N 0.717 119.448 118.700 0.052 0.000 2.025 1020 N HA -0.170 4.571 4.740 0.001 0.000 0.194 1020 N C 1.986 177.515 175.510 0.032 0.000 1.044 1020 N CA 1.929 55.005 53.050 0.044 0.000 0.851 1020 N CB -0.566 37.947 38.487 0.045 0.000 1.036 1020 N HN 0.430 nan 8.380 nan 0.000 0.422 1021 A N 1.818 124.655 122.820 0.028 0.000 1.915 1021 A HA -0.228 4.093 4.320 0.001 0.000 0.220 1021 A C 2.229 179.826 177.584 0.021 0.000 1.198 1021 A CA 1.634 53.683 52.037 0.021 0.000 0.647 1021 A CB -0.479 18.531 19.000 0.018 0.000 0.825 1021 A HN 0.169 nan 8.150 nan 0.000 0.456 1022 K N -0.508 119.908 120.400 0.026 0.000 1.978 1022 K HA -0.099 4.222 4.320 0.001 0.000 0.214 1022 K C 2.398 179.014 176.600 0.026 0.000 1.049 1022 K CA 1.525 57.827 56.287 0.026 0.000 0.939 1022 K CB -1.093 31.425 32.500 0.030 0.000 0.721 1022 K HN 0.437 nan 8.250 nan 0.000 0.441 1023 A N 2.191 125.029 122.820 0.030 0.000 1.869 1023 A HA -0.228 4.092 4.320 0.001 0.000 0.218 1023 A C 2.207 179.805 177.584 0.022 0.000 1.203 1023 A CA 1.807 53.862 52.037 0.029 0.000 0.638 1023 A CB -0.800 18.220 19.000 0.033 0.000 0.831 1023 A HN 0.210 nan 8.150 nan 0.000 0.450 1024 L N 0.216 121.452 121.223 0.020 0.000 1.963 1024 L HA -0.292 4.049 4.340 0.001 0.000 0.220 1024 L C 2.721 179.599 176.870 0.013 0.000 1.076 1024 L CA 2.718 57.567 54.840 0.015 0.000 0.772 1024 L CB -1.851 40.217 42.059 0.014 0.000 0.892 1024 L HN 0.840 nan 8.230 nan 0.000 0.435 1025 E N -0.450 119.757 120.200 0.013 0.000 2.147 1025 E HA -0.266 4.084 4.350 0.001 0.000 0.199 1025 E C 2.098 178.705 176.600 0.012 0.000 1.005 1025 E CA 1.390 57.797 56.400 0.012 0.000 0.810 1025 E CB -0.132 29.575 29.700 0.012 0.000 0.736 1025 E HN 0.307 nan 8.360 nan 0.000 0.460 1026 L N 1.118 122.350 121.223 0.015 0.000 2.072 1026 L HA -0.023 4.317 4.340 0.001 0.000 0.205 1026 L C 2.590 179.468 176.870 0.013 0.000 1.079 1026 L CA 1.481 56.330 54.840 0.015 0.000 0.752 1026 L CB -1.332 40.738 42.059 0.018 0.000 0.906 1026 L HN 0.203 nan 8.230 nan 0.000 0.436 1027 R N -0.294 120.213 120.500 0.012 0.000 2.159 1027 R HA -0.150 4.191 4.340 0.001 0.000 0.237 1027 R C 2.172 178.477 176.300 0.008 0.000 1.131 1027 R CA 0.794 56.899 56.100 0.010 0.000 0.982 1027 R CB -0.059 30.247 30.300 0.009 0.000 0.868 1027 R HN 0.367 nan 8.270 nan 0.000 0.453 1028 R N 0.501 121.005 120.500 0.008 0.000 2.100 1028 R HA 0.021 4.362 4.340 0.001 0.000 0.220 1028 R C 0.750 177.054 176.300 0.006 0.000 1.091 1028 R CA 0.862 56.966 56.100 0.006 0.000 0.986 1028 R CB -0.166 30.138 30.300 0.006 0.000 0.888 1028 R HN 0.330 nan 8.270 nan 0.000 0.444 1029 Q N 1.139 120.944 119.800 0.008 0.000 2.963 1029 Q HA 0.341 4.682 4.340 0.001 0.000 0.262 1029 Q C 0.314 176.318 176.000 0.008 0.000 1.318 1029 Q CA 0.226 56.033 55.803 0.008 0.000 1.089 1029 Q CB 0.793 29.536 28.738 0.008 0.000 1.424 1029 Q HN 0.415 nan 8.270 nan 0.000 0.560 1030 G N 0.415 109.219 108.800 0.007 0.000 2.595 1030 G HA2 -0.379 3.582 3.960 0.001 0.000 0.297 1030 G HA3 -0.379 3.582 3.960 0.001 0.000 0.297 1030 G C 0.049 174.954 174.900 0.008 0.000 1.181 1030 G CA -0.395 44.709 45.100 0.007 0.000 0.963 1030 G HN 0.545 nan 8.290 nan 0.000 0.541 1031 V N 2.332 122.252 119.914 0.010 0.000 4.492 1031 V HA -0.097 4.024 4.120 0.001 0.000 0.478 1031 V C 0.484 176.584 176.094 0.011 0.000 0.803 1031 V CA 1.985 64.292 62.300 0.012 0.000 1.847 1031 V CB -0.486 31.346 31.823 0.014 0.000 2.145 1031 V HN 1.330 nan 8.190 nan 0.000 0.499 1032 D N 6.397 126.803 120.400 0.010 0.000 2.441 1032 D HA 0.512 5.153 4.640 0.001 0.000 0.231 1032 D C -0.531 175.776 176.300 0.011 0.000 1.073 1032 D CA -0.789 53.216 54.000 0.008 0.000 0.850 1032 D CB 1.658 42.461 40.800 0.004 0.000 1.062 1032 D HN 0.530 nan 8.370 nan 0.000 0.524 1033 L N 0.651 121.883 121.223 0.014 0.000 2.343 1033 L HA 0.490 4.831 4.340 0.001 0.000 0.278 1033 L C -0.507 176.373 176.870 0.017 0.000 0.996 1033 L CA -1.206 53.647 54.840 0.022 0.000 0.831 1033 L CB 1.563 43.640 42.059 0.030 0.000 1.232 1033 L HN 0.029 nan 8.230 nan 0.000 0.413 1034 V N 2.274 122.195 119.914 0.012 0.000 2.493 1034 V HA 0.462 4.582 4.120 0.001 0.000 0.292 1034 V C 1.053 177.158 176.094 0.018 0.000 1.016 1034 V CA 0.258 62.558 62.300 -0.001 0.000 1.097 1034 V CB 0.272 32.079 31.823 -0.027 0.000 0.947 1034 V HN 0.994 nan 8.190 nan 0.000 0.479 1035 A N 6.361 129.189 122.820 0.013 0.000 2.322 1035 A HA 0.664 4.985 4.320 0.001 0.000 0.327 1035 A C 0.178 177.778 177.584 0.026 0.000 1.394 1035 A CA -0.550 51.505 52.037 0.029 0.000 0.921 1035 A CB 0.159 19.175 19.000 0.027 0.000 1.153 1035 A HN 0.888 nan 8.150 nan 0.000 0.523 1036 L N 3.236 124.489 121.223 0.050 0.000 2.888 1036 L HA 0.076 4.417 4.340 0.001 0.000 0.237 1036 L C 1.839 178.753 176.870 0.073 0.000 1.288 1036 L CA 0.309 55.181 54.840 0.054 0.000 1.110 1036 L CB -0.972 41.141 42.059 0.091 0.000 1.441 1036 L HN 0.920 nan 8.230 nan 0.000 0.474 1037 T N -2.250 112.345 114.554 0.067 0.000 2.764 1037 T HA 0.153 4.504 4.350 0.001 0.000 0.243 1037 T C 1.101 175.874 174.700 0.122 0.000 1.065 1037 T CA 0.364 62.520 62.100 0.092 0.000 1.219 1037 T CB -0.034 68.884 68.868 0.084 0.000 0.918 1037 T HN 0.261 nan 8.240 nan 0.000 0.409 1038 A N 1.248 124.128 122.820 0.100 0.000 2.445 1038 A HA 0.550 4.871 4.320 0.001 0.000 0.242 1038 A C 1.100 178.772 177.584 0.147 0.000 1.075 1038 A CA -0.104 52.011 52.037 0.129 0.000 0.777 1038 A CB -0.337 18.716 19.000 0.089 0.000 1.013 1038 A HN 0.831 nan 8.150 nan 0.000 0.493 1039 G N 1.503 110.474 108.800 0.285 0.000 3.458 1039 G HA2 0.456 4.417 3.960 0.001 0.000 0.256 1039 G HA3 0.456 4.417 3.960 0.001 0.000 0.256 1039 G C -0.029 175.009 174.900 0.229 0.000 0.938 1039 G CA 0.117 45.469 45.100 0.419 0.000 1.890 1039 G HN 0.890 nan 8.290 nan 0.000 0.639 1040 E N 0.763 120.931 120.200 -0.054 0.000 2.275 1040 E HA 0.498 4.849 4.350 0.001 0.000 0.270 1040 E C -2.916 173.546 176.600 -0.230 0.000 0.882 1040 E CA -2.185 54.181 56.400 -0.058 0.000 0.758 1040 E CB 2.019 31.741 29.700 0.037 0.000 1.195 1040 E HN -0.032 nan 8.360 nan 0.000 0.419 1041 P HA -0.083 nan 4.420 nan 0.000 0.271 1041 P C -0.089 177.184 177.300 -0.044 0.000 1.228 1041 P CA 0.171 63.228 63.100 -0.071 0.000 0.797 1041 P CB 0.522 32.408 31.700 0.310 0.000 0.914 1042 D N -0.503 119.829 120.400 -0.113 0.000 2.423 1042 D HA -0.005 4.636 4.640 0.001 0.000 0.212 1042 D C 0.511 176.778 176.300 -0.055 0.000 1.060 1042 D CA 0.186 54.100 54.000 -0.143 0.000 0.872 1042 D CB -0.548 40.094 40.800 -0.263 0.000 1.012 1042 D HN 0.278 nan 8.370 nan 0.000 0.503 1043 F N 1.547 121.585 119.950 0.146 0.000 2.589 1043 F HA 0.140 4.668 4.527 0.001 0.000 0.352 1043 F C 1.075 176.995 175.800 0.201 0.000 1.168 1043 F CA -0.233 57.885 58.000 0.196 0.000 1.353 1043 F CB 0.450 39.631 39.000 0.302 0.000 1.116 1043 F HN -0.216 nan 8.300 nan 0.000 0.608 1044 D N 0.663 121.299 120.400 0.393 0.000 2.168 1044 D HA 0.082 4.723 4.640 0.001 0.000 0.246 1044 D C -0.348 176.066 176.300 0.190 0.000 1.050 1044 D CA -0.372 53.781 54.000 0.255 0.000 0.857 1044 D CB 1.331 42.245 40.800 0.190 0.000 1.169 1044 D HN 0.475 nan 8.370 nan 0.000 0.453 1045 T N 3.385 118.026 114.554 0.146 0.000 2.765 1045 T HA 0.062 4.412 4.350 0.001 0.000 0.275 1045 T C -2.152 172.450 174.700 -0.162 0.000 1.007 1045 T CA -0.845 61.222 62.100 -0.054 0.000 1.175 1045 T CB 0.101 68.953 68.868 -0.028 0.000 0.993 1045 T HN 0.211 nan 8.240 nan 0.000 0.510 1046 P HA -0.018 nan 4.420 nan 0.000 0.265 1046 P C 0.945 178.176 177.300 -0.115 0.000 1.167 1046 P CA -0.000 62.934 63.100 -0.276 0.000 0.760 1046 P CB 0.461 31.971 31.700 -0.316 0.000 0.783 1047 E N 2.109 122.313 120.200 0.006 0.000 2.077 1047 E HA -0.228 4.123 4.350 0.001 0.000 0.193 1047 E C 1.804 178.405 176.600 0.001 0.000 0.989 1047 E CA 1.450 57.859 56.400 0.015 0.000 0.800 1047 E CB -0.678 29.047 29.700 0.041 0.000 0.746 1047 E HN 0.677 nan 8.360 nan 0.000 0.452 1048 H N -0.014 118.990 119.070 -0.111 0.000 2.457 1048 H HA -0.039 4.518 4.556 0.001 0.000 0.297 1048 H C 2.015 177.253 175.328 -0.150 0.000 1.092 1048 H CA 1.105 57.085 56.048 -0.113 0.000 1.309 1048 H CB -0.722 28.972 29.762 -0.114 0.000 1.382 1048 H HN -0.029 nan 8.280 nan 0.000 0.535 1049 V N 1.244 120.706 119.914 -0.754 0.000 2.535 1049 V HA -0.133 3.988 4.120 0.001 0.000 0.246 1049 V C 2.592 178.467 176.094 -0.364 0.000 1.045 1049 V CA 1.570 63.450 62.300 -0.700 0.000 1.058 1049 V CB -0.280 31.024 31.823 -0.865 0.000 0.689 1049 V HN 0.317 nan 8.190 nan 0.000 0.461 1050 K N -0.571 119.705 120.400 -0.207 0.000 2.057 1050 K HA -0.153 4.168 4.320 0.001 0.000 0.206 1050 K C 2.200 178.807 176.600 0.012 0.000 1.050 1050 K CA 1.104 57.392 56.287 0.001 0.000 0.935 1050 K CB -0.151 32.389 32.500 0.067 0.000 0.715 1050 K HN 0.312 nan 8.250 nan 0.000 0.439 1051 E N 0.789 120.973 120.200 -0.027 0.000 2.070 1051 E HA -0.186 4.165 4.350 0.001 0.000 0.197 1051 E C 1.940 178.529 176.600 -0.018 0.000 1.004 1051 E CA 1.393 57.785 56.400 -0.012 0.000 0.805 1051 E CB -0.166 29.526 29.700 -0.012 0.000 0.744 1051 E HN 0.297 nan 8.360 nan 0.000 0.451 1052 A N 0.664 123.457 122.820 -0.046 0.000 2.067 1052 A HA -0.014 4.306 4.320 0.001 0.000 0.219 1052 A C 2.239 179.833 177.584 0.017 0.000 1.158 1052 A CA 1.633 53.652 52.037 -0.030 0.000 0.661 1052 A CB -0.257 18.711 19.000 -0.053 0.000 0.801 1052 A HN 0.250 nan 8.150 nan 0.000 0.452 1053 A N -0.416 122.436 122.820 0.053 0.000 2.072 1053 A HA 0.032 4.352 4.320 0.001 0.000 0.216 1053 A C 2.183 179.815 177.584 0.080 0.000 1.156 1053 A CA 0.928 53.048 52.037 0.137 0.000 0.701 1053 A CB -0.235 18.948 19.000 0.304 0.000 0.816 1053 A HN 0.530 nan 8.150 nan 0.000 0.458 1054 R N -0.941 119.585 120.500 0.044 0.000 2.080 1054 R HA 0.041 4.381 4.340 0.001 0.000 0.222 1054 R C 2.362 178.650 176.300 -0.020 0.000 1.107 1054 R CA 1.173 57.281 56.100 0.014 0.000 0.980 1054 R CB -0.216 30.090 30.300 0.011 0.000 0.879 1054 R HN 0.449 nan 8.270 nan 0.000 0.439 1055 R N 0.782 121.262 120.500 -0.033 0.000 2.152 1055 R HA -0.071 4.270 4.340 0.001 0.000 0.232 1055 R C 2.002 178.228 176.300 -0.124 0.000 1.117 1055 R CA 1.312 57.369 56.100 -0.071 0.000 0.981 1055 R CB -0.078 30.181 30.300 -0.068 0.000 0.870 1055 R HN 0.216 nan 8.270 nan 0.000 0.451 1056 A N 0.601 123.355 122.820 -0.110 0.000 1.854 1056 A HA -0.070 4.250 4.320 0.001 0.000 0.214 1056 A C 2.081 179.585 177.584 -0.133 0.000 1.192 1056 A CA 0.886 52.809 52.037 -0.190 0.000 0.611 1056 A CB -0.498 18.466 19.000 -0.060 0.000 0.832 1056 A HN 0.298 nan 8.150 nan 0.000 0.442 1057 L N -0.555 120.634 121.223 -0.056 0.000 2.042 1057 L HA -0.233 4.108 4.340 0.001 0.000 0.210 1057 L C 3.105 179.939 176.870 -0.061 0.000 1.076 1057 L CA 1.180 55.995 54.840 -0.043 0.000 0.749 1057 L CB -0.623 41.425 42.059 -0.019 0.000 0.893 1057 L HN 0.462 nan 8.230 nan 0.000 0.432 1058 A N -0.470 122.311 122.820 -0.065 0.000 1.978 1058 A HA -0.236 4.085 4.320 0.001 0.000 0.220 1058 A C 1.988 179.522 177.584 -0.083 0.000 1.170 1058 A CA 1.514 53.512 52.037 -0.065 0.000 0.636 1058 A CB -0.378 18.585 19.000 -0.061 0.000 0.810 1058 A HN 0.556 nan 8.150 nan 0.000 0.448 1059 Q N -1.206 118.522 119.800 -0.120 0.000 2.246 1059 Q HA 0.328 4.669 4.340 0.001 0.000 0.202 1059 Q C 0.738 176.661 176.000 -0.129 0.000 0.883 1059 Q CA 0.145 55.865 55.803 -0.138 0.000 0.952 1059 Q CB 0.155 28.771 28.738 -0.203 0.000 1.078 1059 Q HN 0.769 nan 8.270 nan 0.000 0.493 1060 G N 2.282 111.021 108.800 -0.101 0.000 2.366 1060 G HA2 -0.270 3.691 3.960 0.001 0.000 0.299 1060 G HA3 -0.270 3.691 3.960 0.001 0.000 0.299 1060 G C 0.144 174.994 174.900 -0.082 0.000 1.020 1060 G CA 0.084 45.138 45.100 -0.077 0.000 1.026 1060 G HN 0.163 nan 8.290 nan 0.000 0.512 1061 K N 0.711 121.042 120.400 -0.114 0.000 3.226 1061 K HA 0.127 4.448 4.320 0.001 0.000 0.268 1061 K C 1.614 178.234 176.600 0.033 0.000 1.217 1061 K CA 0.735 56.964 56.287 -0.097 0.000 1.242 1061 K CB -0.023 32.273 32.500 -0.339 0.000 1.389 1061 K HN 0.615 nan 8.250 nan 0.000 0.406 1062 T N -2.341 112.221 114.554 0.013 0.000 3.243 1062 T HA 0.197 4.547 4.350 0.001 0.000 0.264 1062 T C 0.505 175.202 174.700 -0.004 0.000 1.000 1062 T CA -0.514 61.598 62.100 0.020 0.000 0.901 1062 T CB 0.365 69.226 68.868 -0.011 0.000 1.083 1062 T HN -0.115 nan 8.240 nan 0.000 0.559 1063 K N 0.562 120.975 120.400 0.020 0.000 2.520 1063 K HA 0.410 4.731 4.320 0.001 0.000 0.256 1063 K C -0.255 176.373 176.600 0.047 0.000 1.033 1063 K CA -0.734 55.538 56.287 -0.024 0.000 1.007 1063 K CB 0.303 32.810 32.500 0.012 0.000 1.330 1063 K HN 0.153 nan 8.250 nan 0.000 0.507 1064 Y N -0.194 120.136 120.300 0.049 0.000 2.330 1064 Y HA 0.287 4.838 4.550 0.001 0.000 0.341 1064 Y C 0.631 176.562 175.900 0.052 0.000 1.278 1064 Y CA -0.348 57.778 58.100 0.044 0.000 1.453 1064 Y CB 0.523 39.003 38.460 0.032 0.000 1.342 1064 Y HN 0.560 nan 8.280 nan 0.000 0.590 1065 A N 2.211 125.167 122.820 0.227 0.000 2.479 1065 A HA 0.744 5.065 4.320 0.001 0.000 0.296 1065 A C -2.804 174.815 177.584 0.058 0.000 1.121 1065 A CA -2.107 50.000 52.037 0.117 0.000 0.743 1065 A CB 0.933 19.980 19.000 0.078 0.000 1.323 1065 A HN 0.499 nan 8.150 nan 0.000 0.415 1066 P HA 0.112 nan 4.420 nan 0.000 0.268 1066 P C -1.816 175.479 177.300 -0.008 0.000 1.208 1066 P CA -0.762 62.340 63.100 0.003 0.000 0.777 1066 P CB 0.340 32.040 31.700 -0.001 0.000 0.875 1067 P HA -0.161 nan 4.420 nan 0.000 0.222 1067 P C 0.685 177.983 177.300 -0.003 0.000 1.147 1067 P CA 1.440 64.530 63.100 -0.017 0.000 0.790 1067 P CB -0.143 31.543 31.700 -0.024 0.000 0.780 1068 A N -0.684 122.134 122.820 -0.004 0.000 2.218 1068 A HA 0.500 4.820 4.320 0.001 0.000 0.209 1068 A C 1.062 178.643 177.584 -0.005 0.000 1.168 1068 A CA 0.628 52.665 52.037 0.001 0.000 0.804 1068 A CB -0.790 18.209 19.000 -0.001 0.000 0.834 1068 A HN 0.387 nan 8.150 nan 0.000 0.482 1069 G N -0.176 108.615 108.800 -0.016 0.000 2.675 1069 G HA2 0.027 3.988 3.960 0.001 0.000 0.686 1069 G HA3 0.027 3.988 3.960 0.001 0.000 0.686 1069 G C -0.077 174.778 174.900 -0.074 0.000 1.215 1069 G CA -0.517 44.558 45.100 -0.042 0.000 0.777 1069 G HN 1.456 nan 8.290 nan 0.000 0.638 1070 I N -0.147 120.342 120.570 -0.135 0.000 2.845 1070 I HA 0.305 4.476 4.170 0.001 0.000 0.296 1070 I C -0.999 175.020 176.117 -0.162 0.000 1.216 1070 I CA -1.094 60.100 61.300 -0.177 0.000 1.438 1070 I CB 0.699 38.472 38.000 -0.378 0.000 1.342 1070 I HN 0.251 nan 8.210 nan 0.000 0.577 1071 P HA -0.109 nan 4.420 nan 0.000 0.223 1071 P C 0.818 178.055 177.300 -0.104 0.000 1.144 1071 P CA 1.331 64.385 63.100 -0.077 0.000 0.783 1071 P CB 0.239 31.918 31.700 -0.034 0.000 0.771 1072 E N -0.806 119.292 120.200 -0.169 0.000 2.042 1072 E HA -0.025 4.326 4.350 0.001 0.000 0.189 1072 E C 1.919 178.392 176.600 -0.213 0.000 0.974 1072 E CA 0.541 56.833 56.400 -0.179 0.000 0.806 1072 E CB -1.009 28.552 29.700 -0.232 0.000 0.769 1072 E HN 0.106 nan 8.360 nan 0.000 0.451 1073 L N 0.677 121.720 121.223 -0.300 0.000 2.127 1073 L HA -0.190 4.151 4.340 0.001 0.000 0.211 1073 L C 2.390 179.131 176.870 -0.215 0.000 1.089 1073 L CA 1.263 55.933 54.840 -0.283 0.000 0.757 1073 L CB -0.052 41.824 42.059 -0.306 0.000 0.899 1073 L HN 0.081 nan 8.230 nan 0.000 0.434 1074 R N 0.025 120.428 120.500 -0.162 0.000 2.115 1074 R HA -0.232 4.109 4.340 0.001 0.000 0.230 1074 R C 2.118 178.370 176.300 -0.080 0.000 1.111 1074 R CA 1.624 57.665 56.100 -0.098 0.000 0.976 1074 R CB 0.043 30.302 30.300 -0.068 0.000 0.870 1074 R HN 0.459 nan 8.270 nan 0.000 0.445 1075 E N -0.434 119.712 120.200 -0.091 0.000 2.170 1075 E HA 0.009 4.360 4.350 0.001 0.000 0.191 1075 E C 1.565 178.114 176.600 -0.086 0.000 0.981 1075 E CA 1.311 57.671 56.400 -0.066 0.000 0.830 1075 E CB -0.200 29.467 29.700 -0.054 0.000 0.775 1075 E HN 0.266 nan 8.360 nan 0.000 0.470 1076 A N 0.401 123.143 122.820 -0.130 0.000 2.014 1076 A HA 0.020 4.341 4.320 0.001 0.000 0.218 1076 A C 2.010 179.468 177.584 -0.211 0.000 1.163 1076 A CA 0.996 52.938 52.037 -0.157 0.000 0.652 1076 A CB -0.468 18.419 19.000 -0.188 0.000 0.808 1076 A HN 0.328 nan 8.150 nan 0.000 0.449 1077 L N -0.665 120.419 121.223 -0.232 0.000 2.156 1077 L HA 0.007 4.348 4.340 0.001 0.000 0.208 1077 L C 2.711 179.510 176.870 -0.119 0.000 1.095 1077 L CA 1.632 56.292 54.840 -0.300 0.000 0.770 1077 L CB -0.700 41.233 42.059 -0.210 0.000 0.914 1077 L HN 0.377 nan 8.230 nan 0.000 0.439 1078 A N -1.490 121.316 122.820 -0.023 0.000 2.206 1078 A HA -0.071 4.249 4.320 0.001 0.000 0.211 1078 A C 2.003 179.604 177.584 0.029 0.000 1.158 1078 A CA 0.917 52.990 52.037 0.059 0.000 0.761 1078 A CB -0.288 18.734 19.000 0.038 0.000 0.801 1078 A HN 0.520 nan 8.150 nan 0.000 0.473 1079 E N -0.854 119.321 120.200 -0.041 0.000 2.389 1079 E HA -0.001 4.349 4.350 0.001 0.000 0.199 1079 E C 1.776 178.338 176.600 -0.064 0.000 0.978 1079 E CA 0.012 56.389 56.400 -0.038 0.000 0.912 1079 E CB 0.117 29.787 29.700 -0.051 0.000 0.907 1079 E HN 0.472 nan 8.360 nan 0.000 0.494 1080 K N 1.256 121.557 120.400 -0.166 0.000 1.980 1080 K HA -0.058 4.263 4.320 0.001 0.000 0.208 1080 K C 1.766 178.280 176.600 -0.145 0.000 1.043 1080 K CA 1.038 57.187 56.287 -0.231 0.000 0.938 1080 K CB -0.267 31.945 32.500 -0.480 0.000 0.724 1080 K HN 0.075 nan 8.250 nan 0.000 0.438 1081 F N 1.215 121.172 119.950 0.012 0.000 2.287 1081 F HA -0.162 4.365 4.527 0.001 0.000 0.301 1081 F C 2.780 178.587 175.800 0.011 0.000 1.069 1081 F CA 0.789 58.803 58.000 0.022 0.000 1.372 1081 F CB -0.014 38.999 39.000 0.021 0.000 1.056 1081 F HN 0.130 nan 8.300 nan 0.000 0.523 1082 R N 0.044 120.636 120.500 0.152 0.000 2.048 1082 R HA -0.023 4.318 4.340 0.001 0.000 0.221 1082 R C 2.447 178.784 176.300 0.062 0.000 1.174 1082 R CA 0.732 56.887 56.100 0.092 0.000 0.971 1082 R CB -0.277 30.059 30.300 0.060 0.000 0.863 1082 R HN 0.127 nan 8.270 nan 0.000 0.439 1083 R N 0.941 121.464 120.500 0.038 0.000 2.070 1083 R HA -0.134 4.207 4.340 0.001 0.000 0.232 1083 R C 1.876 178.202 176.300 0.042 0.000 1.138 1083 R CA 1.825 57.944 56.100 0.031 0.000 0.936 1083 R CB -0.024 30.284 30.300 0.013 0.000 0.839 1083 R HN 0.290 nan 8.270 nan 0.000 0.429 1084 E N 0.110 120.336 120.200 0.044 0.000 2.004 1084 E HA -0.095 4.256 4.350 0.001 0.000 0.192 1084 E C 1.583 178.230 176.600 0.077 0.000 0.987 1084 E CA 0.937 57.373 56.400 0.059 0.000 0.822 1084 E CB -0.185 29.553 29.700 0.064 0.000 0.779 1084 E HN 0.343 nan 8.360 nan 0.000 0.458 1085 N N 0.014 118.784 118.700 0.117 0.000 2.609 1085 N HA -0.041 4.700 4.740 0.001 0.000 0.190 1085 N C 1.021 176.574 175.510 0.072 0.000 1.157 1085 N CA 1.004 54.138 53.050 0.139 0.000 0.918 1085 N CB 0.133 38.780 38.487 0.266 0.000 0.978 1085 N HN 0.433 nan 8.380 nan 0.000 0.448 1086 G N -0.598 108.241 108.800 0.066 0.000 2.228 1086 G HA2 -0.310 3.651 3.960 0.001 0.000 0.270 1086 G HA3 -0.310 3.651 3.960 0.001 0.000 0.270 1086 G C 0.120 175.038 174.900 0.029 0.000 0.976 1086 G CA 0.303 45.426 45.100 0.038 0.000 0.636 1086 G HN 0.213 nan 8.290 nan 0.000 0.542 1087 L N 0.633 121.884 121.223 0.045 0.000 2.476 1087 L HA 0.566 4.906 4.340 0.001 0.000 0.264 1087 L C 0.991 177.891 176.870 0.049 0.000 1.224 1087 L CA 0.369 55.227 54.840 0.031 0.000 0.821 1087 L CB 1.138 43.221 42.059 0.040 0.000 1.101 1087 L HN 0.077 nan 8.230 nan 0.000 0.488 1088 S N 0.330 116.048 115.700 0.031 0.000 2.259 1088 S HA 0.491 4.962 4.470 0.001 0.000 0.181 1088 S C -0.575 174.043 174.600 0.029 0.000 1.589 1088 S CA -0.584 57.636 58.200 0.034 0.000 1.234 1088 S CB 0.657 63.872 63.200 0.026 0.000 1.119 1088 S HN 0.404 nan 8.310 nan 0.000 0.458 1089 V N 0.649 120.590 119.914 0.045 0.000 2.815 1089 V HA 0.886 5.007 4.120 0.001 0.000 0.314 1089 V C 0.095 176.215 176.094 0.044 0.000 1.064 1089 V CA -0.845 61.478 62.300 0.038 0.000 0.952 1089 V CB 1.527 33.376 31.823 0.043 0.000 1.020 1089 V HN 0.557 nan 8.190 nan 0.000 0.439 1090 T N 0.560 115.132 114.554 0.031 0.000 2.944 1090 T HA 0.542 4.893 4.350 0.001 0.000 0.284 1090 T C -2.087 172.630 174.700 0.029 0.000 1.010 1090 T CA -1.909 60.206 62.100 0.025 0.000 1.025 1090 T CB 1.413 70.290 68.868 0.016 0.000 1.079 1090 T HN 0.500 nan 8.240 nan 0.000 0.516 1091 P HA -0.106 nan 4.420 nan 0.000 0.218 1091 P C 1.035 178.345 177.300 0.016 0.000 1.146 1091 P CA 1.010 64.120 63.100 0.017 0.000 0.813 1091 P CB -0.011 31.689 31.700 0.000 0.000 0.778 1092 E N -0.152 120.055 120.200 0.011 0.000 2.204 1092 E HA -0.169 4.182 4.350 0.001 0.000 0.195 1092 E C 0.984 177.589 176.600 0.009 0.000 0.990 1092 E CA 0.913 57.318 56.400 0.008 0.000 0.821 1092 E CB -0.593 29.110 29.700 0.006 0.000 0.750 1092 E HN 0.513 nan 8.360 nan 0.000 0.477 1093 E N 0.400 120.608 120.200 0.013 0.000 2.370 1093 E HA 0.116 4.467 4.350 0.001 0.000 0.194 1093 E C -0.374 176.235 176.600 0.015 0.000 1.057 1093 E CA 0.038 56.441 56.400 0.005 0.000 1.011 1093 E CB 0.578 30.277 29.700 -0.001 0.000 1.132 1093 E HN -0.004 nan 8.360 nan 0.000 0.450 1094 T N 1.283 115.860 114.554 0.040 0.000 2.924 1094 T HA 0.649 5.000 4.350 0.001 0.000 0.291 1094 T C -0.574 174.164 174.700 0.064 0.000 1.045 1094 T CA -0.594 61.557 62.100 0.086 0.000 1.015 1094 T CB 2.066 70.995 68.868 0.102 0.000 1.103 1094 T HN 0.116 nan 8.240 nan 0.000 0.496 1095 I N 1.203 121.832 120.570 0.099 0.000 2.743 1095 I HA 0.497 4.667 4.170 0.001 0.000 0.292 1095 I C -1.750 174.438 176.117 0.117 0.000 1.343 1095 I CA -0.977 60.368 61.300 0.075 0.000 1.038 1095 I CB 1.479 39.506 38.000 0.045 0.000 1.311 1095 I HN 0.425 nan 8.210 nan 0.000 0.426 1096 V N 5.150 125.113 119.914 0.082 0.000 2.407 1096 V HA 0.669 4.790 4.120 0.001 0.000 0.278 1096 V C 0.380 176.522 176.094 0.081 0.000 1.037 1096 V CA -0.196 62.166 62.300 0.104 0.000 0.900 1096 V CB 0.929 32.779 31.823 0.046 0.000 0.983 1096 V HN 0.822 nan 8.190 nan 0.000 0.459 1097 T N 0.636 115.246 114.554 0.092 0.000 2.907 1097 T HA 0.556 4.907 4.350 0.001 0.000 0.290 1097 T C -0.327 174.405 174.700 0.053 0.000 1.066 1097 T CA -0.738 61.398 62.100 0.061 0.000 1.012 1097 T CB 1.848 70.747 68.868 0.052 0.000 1.184 1097 T HN 0.301 nan 8.240 nan 0.000 0.522 1098 V N 2.597 122.535 119.914 0.039 0.000 2.157 1098 V HA 0.533 4.654 4.120 0.001 0.000 0.241 1098 V C 1.441 177.547 176.094 0.020 0.000 1.349 1098 V CA 0.819 63.138 62.300 0.032 0.000 1.319 1098 V CB -1.426 30.407 31.823 0.016 0.000 1.421 1098 V HN 1.482 nan 8.190 nan 0.000 0.501 1099 G N 3.456 112.266 108.800 0.018 0.000 2.710 1099 G HA2 0.030 3.990 3.960 0.001 0.000 0.668 1099 G HA3 0.030 3.990 3.960 0.001 0.000 0.668 1099 G C 0.658 175.535 174.900 -0.038 0.000 1.320 1099 G CA -0.253 44.840 45.100 -0.011 0.000 0.860 1099 G HN 0.855 nan 8.290 nan 0.000 0.538 1100 G N -0.693 108.061 108.800 -0.077 0.000 2.421 1100 G HA2 0.139 4.099 3.960 0.001 0.000 0.217 1100 G HA3 0.139 4.099 3.960 0.001 0.000 0.217 1100 G C 2.111 177.020 174.900 0.015 0.000 1.143 1100 G CA 2.075 47.125 45.100 -0.083 0.000 0.784 1100 G HN 1.417 nan 8.290 nan 0.000 0.541 1101 S N 0.440 116.174 115.700 0.057 0.000 2.365 1101 S HA -0.183 4.288 4.470 0.001 0.000 0.225 1101 S C 2.263 176.936 174.600 0.120 0.000 1.039 1101 S CA 1.266 59.552 58.200 0.143 0.000 1.033 1101 S CB -0.321 62.946 63.200 0.112 0.000 0.887 1101 S HN 0.386 nan 8.310 nan 0.000 0.447 1102 Q N 0.550 120.391 119.800 0.067 0.000 2.084 1102 Q HA -0.043 4.298 4.340 0.001 0.000 0.202 1102 Q C 2.509 178.571 176.000 0.103 0.000 0.978 1102 Q CA 1.387 57.243 55.803 0.089 0.000 0.844 1102 Q CB -0.400 28.365 28.738 0.046 0.000 0.898 1102 Q HN 0.599 nan 8.270 nan 0.000 0.426 1103 A N 0.298 123.148 122.820 0.050 0.000 2.070 1103 A HA -0.129 4.191 4.320 0.001 0.000 0.220 1103 A C 1.992 179.552 177.584 -0.039 0.000 1.159 1103 A CA 0.957 53.001 52.037 0.012 0.000 0.656 1103 A CB -0.342 18.658 19.000 0.000 0.000 0.800 1103 A HN 0.292 nan 8.150 nan 0.000 0.453 1104 L N -2.972 118.239 121.223 -0.020 0.000 2.145 1104 L HA 0.069 4.410 4.340 0.001 0.000 0.201 1104 L C 2.325 179.099 176.870 -0.159 0.000 1.075 1104 L CA 0.863 55.598 54.840 -0.176 0.000 0.773 1104 L CB -0.499 41.550 42.059 -0.017 0.000 0.936 1104 L HN 0.432 nan 8.230 nan 0.000 0.451 1105 F N 1.440 121.359 119.950 -0.051 0.000 2.161 1105 F HA -0.249 4.279 4.527 0.001 0.000 0.300 1105 F C 2.167 177.992 175.800 0.041 0.000 1.089 1105 F CA 1.669 59.692 58.000 0.039 0.000 1.282 1105 F CB -0.084 38.928 39.000 0.021 0.000 1.010 1105 F HN 0.121 nan 8.300 nan 0.000 0.485 1106 N N 0.177 118.952 118.700 0.126 0.000 2.250 1106 N HA -0.109 4.632 4.740 0.001 0.000 0.181 1106 N C 2.100 177.576 175.510 -0.056 0.000 1.017 1106 N CA 0.876 53.958 53.050 0.053 0.000 0.866 1106 N CB -0.602 37.931 38.487 0.076 0.000 0.985 1106 N HN 0.280 nan 8.380 nan 0.000 0.429 1107 L N -0.065 121.088 121.223 -0.117 0.000 2.042 1107 L HA -0.092 4.249 4.340 0.001 0.000 0.210 1107 L C 1.462 178.254 176.870 -0.130 0.000 1.076 1107 L CA 1.709 56.433 54.840 -0.194 0.000 0.749 1107 L CB -0.756 41.108 42.059 -0.325 0.000 0.893 1107 L HN 0.175 nan 8.230 nan 0.000 0.432 1108 F N -0.372 119.513 119.950 -0.107 0.000 2.325 1108 F HA -0.151 4.377 4.527 0.001 0.000 0.299 1108 F C 2.712 178.418 175.800 -0.157 0.000 1.090 1108 F CA 0.286 58.210 58.000 -0.126 0.000 1.392 1108 F CB 0.084 39.007 39.000 -0.128 0.000 1.053 1108 F HN 0.227 nan 8.300 nan 0.000 0.521 1109 Q N -0.072 119.710 119.800 -0.030 0.000 2.245 1109 Q HA -0.020 4.321 4.340 0.001 0.000 0.201 1109 Q C 2.234 178.212 176.000 -0.036 0.000 0.955 1109 Q CA 1.051 56.804 55.803 -0.084 0.000 0.870 1109 Q CB -0.094 28.548 28.738 -0.159 0.000 0.945 1109 Q HN 0.392 nan 8.270 nan 0.000 0.461 1110 A N 0.737 123.537 122.820 -0.033 0.000 2.178 1110 A HA 0.065 4.386 4.320 0.001 0.000 0.211 1110 A C 1.724 179.290 177.584 -0.030 0.000 1.157 1110 A CA 0.331 52.347 52.037 -0.034 0.000 0.780 1110 A CB -0.089 18.879 19.000 -0.054 0.000 0.828 1110 A HN 0.419 nan 8.150 nan 0.000 0.476 1111 I N -4.787 115.777 120.570 -0.011 0.000 4.338 1111 I HA 0.426 4.597 4.170 0.001 0.000 0.329 1111 I C -0.494 175.668 176.117 0.076 0.000 1.378 1111 I CA -0.194 61.121 61.300 0.026 0.000 1.170 1111 I CB 0.412 38.380 38.000 -0.054 0.000 1.206 1111 I HN -0.122 nan 8.210 nan 0.000 0.432 1112 L N 3.130 124.380 121.223 0.045 0.000 2.276 1112 L HA 0.520 4.861 4.340 0.001 0.000 0.286 1112 L C -0.854 176.010 176.870 -0.010 0.000 1.024 1112 L CA -0.286 54.562 54.840 0.012 0.000 0.826 1112 L CB 0.997 43.037 42.059 -0.031 0.000 1.211 1112 L HN 0.121 nan 8.230 nan 0.000 0.422 1113 D N 4.558 124.955 120.400 -0.005 0.000 2.229 1113 D HA 0.338 4.978 4.640 0.001 0.000 0.249 1113 D C -2.300 173.979 176.300 -0.034 0.000 1.027 1113 D CA -1.488 52.503 54.000 -0.015 0.000 0.923 1113 D CB 1.694 42.493 40.800 -0.002 0.000 1.174 1113 D HN 0.143 nan 8.370 nan 0.000 0.443 1114 P HA 0.087 nan 4.420 nan 0.000 0.265 1114 P C 0.711 177.982 177.300 -0.047 0.000 1.187 1114 P CA 0.766 63.834 63.100 -0.054 0.000 0.766 1114 P CB 0.506 32.175 31.700 -0.052 0.000 0.820 1115 G N 1.640 110.406 108.800 -0.056 0.000 2.184 1115 G HA2 -0.240 3.720 3.960 0.001 0.000 0.264 1115 G HA3 -0.240 3.720 3.960 0.001 0.000 0.264 1115 G C -0.047 174.822 174.900 -0.051 0.000 0.975 1115 G CA -0.034 45.035 45.100 -0.051 0.000 0.642 1115 G HN 0.513 nan 8.290 nan 0.000 0.536 1116 D N 0.990 121.359 120.400 -0.053 0.000 2.372 1116 D HA 0.497 5.137 4.640 0.001 0.000 0.243 1116 D C 0.664 176.918 176.300 -0.077 0.000 1.121 1116 D CA 0.272 54.243 54.000 -0.048 0.000 0.898 1116 D CB 0.593 41.376 40.800 -0.029 0.000 1.202 1116 D HN 0.447 nan 8.370 nan 0.000 0.428 1117 E N 0.322 120.474 120.200 -0.081 0.000 2.231 1117 E HA 0.509 4.859 4.350 0.001 0.000 0.277 1117 E C -0.951 175.567 176.600 -0.137 0.000 0.999 1117 E CA -0.864 55.471 56.400 -0.109 0.000 0.827 1117 E CB 1.824 31.462 29.700 -0.104 0.000 1.101 1117 E HN 0.096 nan 8.360 nan 0.000 0.393 1118 V N 3.508 123.324 119.914 -0.163 0.000 2.577 1118 V HA 0.350 4.471 4.120 0.001 0.000 0.303 1118 V C -0.269 175.729 176.094 -0.160 0.000 1.042 1118 V CA -0.740 61.454 62.300 -0.176 0.000 0.872 1118 V CB 1.444 33.111 31.823 -0.260 0.000 0.998 1118 V HN 0.600 nan 8.190 nan 0.000 0.423 1119 I N 5.388 125.870 120.570 -0.148 0.000 2.312 1119 I HA 0.407 4.578 4.170 0.001 0.000 0.291 1119 I C 0.075 176.158 176.117 -0.058 0.000 1.031 1119 I CA -0.525 60.714 61.300 -0.101 0.000 1.293 1119 I CB 1.449 39.383 38.000 -0.109 0.000 1.403 1119 I HN 0.590 nan 8.210 nan 0.000 0.484 1120 V N 5.744 125.636 119.914 -0.036 0.000 2.630 1120 V HA 0.594 4.714 4.120 0.001 0.000 0.305 1120 V C -0.349 175.833 176.094 0.147 0.000 1.046 1120 V CA -0.856 61.447 62.300 0.005 0.000 0.934 1120 V CB 1.749 33.507 31.823 -0.108 0.000 1.003 1120 V HN 0.482 nan 8.190 nan 0.000 0.451 1121 L N 4.322 125.666 121.223 0.201 0.000 2.287 1121 L HA 0.600 4.940 4.340 0.001 0.000 0.287 1121 L C 0.573 177.606 176.870 0.271 0.000 1.022 1121 L CA -0.384 54.583 54.840 0.211 0.000 0.814 1121 L CB 1.590 43.762 42.059 0.188 0.000 1.217 1121 L HN 0.941 nan 8.230 nan 0.000 0.420 1122 S N 2.716 118.521 115.700 0.176 0.000 2.586 1122 S HA 0.571 5.041 4.470 0.001 0.000 0.274 1122 S C -2.583 172.011 174.600 -0.010 0.000 1.281 1122 S CA -1.507 56.647 58.200 -0.076 0.000 1.035 1122 S CB 1.114 64.188 63.200 -0.210 0.000 0.962 1122 S HN 0.308 nan 8.310 nan 0.000 0.512 1123 P HA 0.307 nan 4.420 nan 0.000 0.276 1123 P C -1.076 176.155 177.300 -0.115 0.000 1.230 1123 P CA -0.194 62.737 63.100 -0.281 0.000 0.776 1123 P CB 0.080 31.624 31.700 -0.260 0.000 0.888 1124 Y N 0.070 120.479 120.300 0.181 0.000 2.598 1124 Y HA 0.611 5.162 4.550 0.001 0.000 0.340 1124 Y C -0.624 175.490 175.900 0.356 0.000 1.038 1124 Y CA -2.490 55.783 58.100 0.288 0.000 1.100 1124 Y CB 0.044 38.666 38.460 0.271 0.000 1.281 1124 Y HN 0.384 nan 8.280 nan 0.000 0.488 1125 W N 2.974 124.562 121.300 0.480 0.000 2.251 1125 W HA 0.316 4.976 4.660 0.001 0.000 0.327 1125 W C 0.737 177.219 176.519 -0.060 0.000 1.361 1125 W CA -0.820 56.610 57.345 0.141 0.000 1.234 1125 W CB 0.750 30.171 29.460 -0.066 0.000 1.212 1125 W HN 0.608 nan 8.180 nan 0.000 0.557 1126 V N 4.718 124.254 119.914 -0.628 0.000 2.409 1126 V HA -0.427 3.694 4.120 0.001 0.000 0.261 1126 V C 2.192 177.780 176.094 -0.843 0.000 1.099 1126 V CA 2.819 64.635 62.300 -0.806 0.000 1.100 1126 V CB -0.882 30.442 31.823 -0.831 0.000 0.677 1126 V HN 0.806 nan 8.190 nan 0.000 0.460 1127 S N -2.374 112.422 115.700 -1.507 0.000 2.356 1127 S HA -0.085 4.386 4.470 0.001 0.000 0.219 1127 S C 1.587 175.766 174.600 -0.702 0.000 1.036 1127 S CA 1.154 58.644 58.200 -1.183 0.000 0.965 1127 S CB -0.384 61.851 63.200 -1.609 0.000 0.864 1127 S HN 0.674 nan 8.310 nan 0.000 0.471 1128 Y N 1.622 121.553 120.300 -0.615 0.000 2.136 1128 Y HA -0.278 4.272 4.550 0.001 0.000 0.271 1128 Y C -0.566 175.151 175.900 -0.306 0.000 1.252 1128 Y CA 1.797 59.753 58.100 -0.240 0.000 1.117 1128 Y CB -2.028 36.344 38.460 -0.146 0.000 0.932 1128 Y HN 0.362 nan 8.280 nan 0.000 0.512 1129 P HA -0.103 nan 4.420 nan 0.000 0.215 1129 P C 1.293 178.468 177.300 -0.208 0.000 1.157 1129 P CA 1.535 64.448 63.100 -0.311 0.000 0.856 1129 P CB 0.062 31.524 31.700 -0.396 0.000 0.786 1130 E N -0.792 119.290 120.200 -0.196 0.000 2.160 1130 E HA -0.147 4.203 4.350 0.001 0.000 0.195 1130 E C 1.947 178.533 176.600 -0.023 0.000 0.991 1130 E CA 1.269 57.603 56.400 -0.110 0.000 0.810 1130 E CB -0.648 28.963 29.700 -0.149 0.000 0.742 1130 E HN 0.370 nan 8.360 nan 0.000 0.466 1131 M N -0.406 119.178 119.600 -0.026 0.000 2.134 1131 M HA -0.075 4.406 4.480 0.001 0.000 0.262 1131 M C 2.407 178.678 176.300 -0.047 0.000 1.076 1131 M CA 0.732 56.099 55.300 0.111 0.000 1.143 1131 M CB -0.243 32.559 32.600 0.336 0.000 1.346 1131 M HN -0.100 nan 8.290 nan 0.000 0.421 1132 V N 0.814 120.534 119.914 -0.323 0.000 2.568 1132 V HA -0.272 3.849 4.120 0.001 0.000 0.253 1132 V C 2.317 178.243 176.094 -0.280 0.000 1.072 1132 V CA 1.848 63.800 62.300 -0.579 0.000 1.084 1132 V CB -0.672 30.750 31.823 -0.667 0.000 0.676 1132 V HN 0.423 nan 8.190 nan 0.000 0.469 1133 R N -1.841 118.571 120.500 -0.145 0.000 2.112 1133 R HA 0.016 4.357 4.340 0.001 0.000 0.216 1133 R C 2.112 178.411 176.300 -0.003 0.000 1.080 1133 R CA 0.963 57.018 56.100 -0.075 0.000 0.996 1133 R CB -0.283 29.988 30.300 -0.048 0.000 0.902 1133 R HN 0.471 nan 8.270 nan 0.000 0.449 1134 F N 1.281 121.177 119.950 -0.089 0.000 2.451 1134 F HA -0.030 4.498 4.527 0.001 0.000 0.299 1134 F C 1.872 177.623 175.800 -0.081 0.000 1.101 1134 F CA 0.863 58.838 58.000 -0.042 0.000 1.436 1134 F CB 0.167 39.194 39.000 0.045 0.000 1.074 1134 F HN -0.037 nan 8.300 nan 0.000 0.553 1135 A N -1.023 121.786 122.820 -0.018 0.000 2.267 1135 A HA 0.471 4.792 4.320 0.001 0.000 0.213 1135 A C 1.899 179.415 177.584 -0.113 0.000 1.192 1135 A CA 0.773 52.755 52.037 -0.092 0.000 0.851 1135 A CB -0.656 18.285 19.000 -0.098 0.000 0.881 1135 A HN 0.675 nan 8.150 nan 0.000 0.494 1136 G N -1.778 106.950 108.800 -0.119 0.000 2.253 1136 G HA2 -0.025 3.936 3.960 0.001 0.000 0.209 1136 G HA3 -0.025 3.936 3.960 0.001 0.000 0.209 1136 G C 0.876 175.714 174.900 -0.103 0.000 0.997 1136 G CA 0.129 45.164 45.100 -0.108 0.000 0.640 1136 G HN 1.320 nan 8.290 nan 0.000 0.496 1137 G N -0.465 108.259 108.800 -0.127 0.000 2.683 1137 G HA2 0.614 4.575 3.960 0.001 0.000 0.260 1137 G HA3 0.614 4.575 3.960 0.001 0.000 0.260 1137 G C 0.293 175.113 174.900 -0.134 0.000 1.238 1137 G CA 0.746 45.762 45.100 -0.140 0.000 0.934 1137 G HN 1.677 nan 8.290 nan 0.000 0.534 1138 V N -2.156 117.679 119.914 -0.131 0.000 2.735 1138 V HA 0.678 4.799 4.120 0.001 0.000 0.310 1138 V C -0.264 175.751 176.094 -0.131 0.000 1.061 1138 V CA -1.053 61.179 62.300 -0.112 0.000 0.913 1138 V CB 1.773 33.547 31.823 -0.082 0.000 1.005 1138 V HN 0.534 nan 8.190 nan 0.000 0.428 1139 V N 5.266 125.107 119.914 -0.121 0.000 2.389 1139 V HA 0.330 4.450 4.120 0.001 0.000 0.264 1139 V C 0.177 176.227 176.094 -0.074 0.000 1.049 1139 V CA -0.187 62.038 62.300 -0.125 0.000 0.932 1139 V CB 1.149 32.888 31.823 -0.141 0.000 1.011 1139 V HN 0.757 nan 8.190 nan 0.000 0.475 1140 V N 6.460 126.329 119.914 -0.075 0.000 2.311 1140 V HA 0.315 4.436 4.120 0.001 0.000 0.275 1140 V C 0.247 176.331 176.094 -0.017 0.000 1.022 1140 V CA -0.628 61.645 62.300 -0.045 0.000 0.830 1140 V CB 1.224 33.005 31.823 -0.070 0.000 1.012 1140 V HN 1.019 nan 8.190 nan 0.000 0.452 1141 E N 4.569 124.790 120.200 0.034 0.000 2.156 1141 E HA 0.642 4.993 4.350 0.001 0.000 0.279 1141 E C -1.111 175.540 176.600 0.085 0.000 0.965 1141 E CA -0.741 55.716 56.400 0.094 0.000 0.789 1141 E CB 2.165 31.992 29.700 0.211 0.000 1.098 1141 E HN 0.295 nan 8.360 nan 0.000 0.397 1142 V N 3.171 123.135 119.914 0.084 0.000 2.439 1142 V HA 0.122 4.243 4.120 0.001 0.000 0.282 1142 V C 0.302 176.449 176.094 0.088 0.000 1.039 1142 V CA -0.517 61.823 62.300 0.067 0.000 0.913 1142 V CB 1.280 33.133 31.823 0.050 0.000 0.983 1142 V HN 0.785 nan 8.190 nan 0.000 0.460 1143 E N 2.466 122.710 120.200 0.073 0.000 2.366 1143 E HA 0.431 4.782 4.350 0.001 0.000 0.266 1143 E C -0.252 176.392 176.600 0.073 0.000 1.051 1143 E CA -0.245 56.201 56.400 0.077 0.000 0.884 1143 E CB 1.131 30.871 29.700 0.067 0.000 1.006 1143 E HN 0.852 nan 8.360 nan 0.000 0.417 1144 T N 1.501 116.117 114.554 0.103 0.000 2.881 1144 T HA 0.491 4.842 4.350 0.001 0.000 0.290 1144 T C -0.579 174.192 174.700 0.118 0.000 1.000 1144 T CA -0.875 61.289 62.100 0.106 0.000 0.978 1144 T CB 0.567 69.532 68.868 0.161 0.000 0.997 1144 T HN 0.279 nan 8.240 nan 0.000 0.443 1145 L N 5.392 126.607 121.223 -0.014 0.000 2.307 1145 L HA 0.420 4.760 4.340 0.001 0.000 0.282 1145 L C -1.140 175.417 176.870 -0.521 0.000 1.051 1145 L CA -2.574 52.179 54.840 -0.144 0.000 0.804 1145 L CB 1.667 43.666 42.059 -0.099 0.000 1.197 1145 L HN 0.471 nan 8.230 nan 0.000 0.431 1146 P HA -0.202 nan 4.420 nan 0.000 0.218 1146 P C 0.760 177.729 177.300 -0.552 0.000 1.148 1146 P CA 1.332 63.756 63.100 -1.127 0.000 0.822 1146 P CB 0.169 31.642 31.700 -0.379 0.000 0.784 1147 E N 0.803 120.825 120.200 -0.297 0.000 2.208 1147 E HA -0.148 4.202 4.350 0.001 0.000 0.193 1147 E C 1.358 177.859 176.600 -0.165 0.000 0.988 1147 E CA 0.941 57.238 56.400 -0.171 0.000 0.828 1147 E CB -0.688 28.952 29.700 -0.099 0.000 0.763 1147 E HN 0.434 nan 8.360 nan 0.000 0.478 1148 E N 0.311 120.388 120.200 -0.204 0.000 2.474 1148 E HA 0.155 4.506 4.350 0.001 0.000 0.195 1148 E C 0.432 176.942 176.600 -0.151 0.000 1.039 1148 E CA 0.225 56.539 56.400 -0.144 0.000 0.881 1148 E CB 0.470 30.101 29.700 -0.114 0.000 0.970 1148 E HN 0.430 nan 8.360 nan 0.000 0.486 1149 G N 0.891 109.532 108.800 -0.264 0.000 2.160 1149 G HA2 -0.326 3.634 3.960 0.001 0.000 0.244 1149 G HA3 -0.326 3.634 3.960 0.001 0.000 0.244 1149 G C 0.447 175.350 174.900 0.006 0.000 1.022 1149 G CA 0.095 45.101 45.100 -0.156 0.000 0.741 1149 G HN 0.410 nan 8.290 nan 0.000 0.508 1150 F N -3.799 116.169 119.950 0.029 0.000 2.945 1150 F HA -0.305 4.223 4.527 0.001 0.000 0.334 1150 F C 1.543 177.347 175.800 0.007 0.000 0.683 1150 F CA 1.343 59.367 58.000 0.040 0.000 1.044 1150 F CB -1.564 37.484 39.000 0.080 0.000 1.478 1150 F HN 0.756 nan 8.300 nan 0.000 0.324 1151 V N 3.713 123.655 119.914 0.046 0.000 2.572 1151 V HA 0.299 4.420 4.120 0.001 0.000 0.291 1151 V C -1.240 174.688 176.094 -0.277 0.000 1.039 1151 V CA -1.446 60.687 62.300 -0.279 0.000 1.055 1151 V CB 0.961 32.669 31.823 -0.193 0.000 0.969 1151 V HN -0.018 nan 8.190 nan 0.000 0.482 1152 P HA 0.172 nan 4.420 nan 0.000 0.271 1152 P C -1.309 175.901 177.300 -0.149 0.000 1.218 1152 P CA -0.091 62.885 63.100 -0.208 0.000 0.780 1152 P CB 0.863 32.443 31.700 -0.201 0.000 0.901 1153 D N 3.199 123.555 120.400 -0.074 0.000 2.441 1153 D HA 0.192 4.833 4.640 0.001 0.000 0.231 1153 D C -1.488 174.799 176.300 -0.022 0.000 1.073 1153 D CA -2.666 51.304 54.000 -0.050 0.000 0.850 1153 D CB 0.774 41.551 40.800 -0.038 0.000 1.062 1153 D HN 0.084 nan 8.370 nan 0.000 0.524 1154 P HA -0.191 nan 4.420 nan 0.000 0.223 1154 P C 0.674 177.990 177.300 0.027 0.000 1.140 1154 P CA 0.823 63.933 63.100 0.017 0.000 0.783 1154 P CB 0.564 32.273 31.700 0.016 0.000 0.759 1155 E N -0.220 119.988 120.200 0.013 0.000 2.102 1155 E HA 0.002 4.352 4.350 0.001 0.000 0.190 1155 E C 2.248 178.856 176.600 0.013 0.000 0.971 1155 E CA 0.671 57.080 56.400 0.015 0.000 0.821 1155 E CB -0.439 29.265 29.700 0.007 0.000 0.777 1155 E HN 0.060 nan 8.360 nan 0.000 0.460 1156 R N -0.388 120.117 120.500 0.008 0.000 2.105 1156 R HA -0.088 4.253 4.340 0.001 0.000 0.239 1156 R C 2.190 178.497 176.300 0.012 0.000 1.135 1156 R CA 1.233 57.337 56.100 0.008 0.000 0.967 1156 R CB -0.262 30.043 30.300 0.008 0.000 0.861 1156 R HN 0.070 nan 8.270 nan 0.000 0.442 1157 V N 0.840 120.767 119.914 0.021 0.000 2.283 1157 V HA -0.256 3.865 4.120 0.001 0.000 0.243 1157 V C 2.427 178.540 176.094 0.032 0.000 1.039 1157 V CA 2.045 64.364 62.300 0.031 0.000 1.016 1157 V CB -0.555 31.301 31.823 0.056 0.000 0.650 1157 V HN 0.372 nan 8.190 nan 0.000 0.449 1158 R N 0.677 121.207 120.500 0.050 0.000 2.103 1158 R HA -0.258 4.082 4.340 0.001 0.000 0.242 1158 R C 2.343 178.634 176.300 -0.015 0.000 1.142 1158 R CA 2.343 58.473 56.100 0.050 0.000 0.960 1158 R CB -0.532 29.814 30.300 0.077 0.000 0.858 1158 R HN 0.393 nan 8.270 nan 0.000 0.439 1159 R N -0.009 120.486 120.500 -0.008 0.000 2.117 1159 R HA -0.125 4.216 4.340 0.001 0.000 0.243 1159 R C 2.080 178.356 176.300 -0.039 0.000 1.143 1159 R CA 1.749 57.836 56.100 -0.021 0.000 0.968 1159 R CB -0.362 29.933 30.300 -0.008 0.000 0.863 1159 R HN 0.446 nan 8.270 nan 0.000 0.444 1160 A N 0.418 123.215 122.820 -0.038 0.000 2.168 1160 A HA 0.076 4.397 4.320 0.001 0.000 0.215 1160 A C 0.847 178.376 177.584 -0.093 0.000 1.152 1160 A CA 0.183 52.187 52.037 -0.054 0.000 0.716 1160 A CB -0.206 18.769 19.000 -0.041 0.000 0.794 1160 A HN 0.243 nan 8.150 nan 0.000 0.465 1161 I N 2.498 122.998 120.570 -0.117 0.000 2.578 1161 I HA 0.048 4.219 4.170 0.001 0.000 0.286 1161 I C 0.998 177.031 176.117 -0.139 0.000 1.126 1161 I CA 0.074 61.275 61.300 -0.164 0.000 1.380 1161 I CB 0.259 38.127 38.000 -0.220 0.000 1.408 1161 I HN 0.342 nan 8.210 nan 0.000 0.532 1162 T N 3.398 117.885 114.554 -0.112 0.000 2.922 1162 T HA 0.447 4.798 4.350 0.001 0.000 0.281 1162 T C -2.074 172.599 174.700 -0.045 0.000 1.005 1162 T CA -1.895 60.163 62.100 -0.072 0.000 0.982 1162 T CB 1.720 70.552 68.868 -0.061 0.000 1.158 1162 T HN 0.225 nan 8.240 nan 0.000 0.566 1163 P HA 0.261 nan 4.420 nan 0.000 0.241 1163 P C 1.085 178.388 177.300 0.005 0.000 1.191 1163 P CA 0.232 63.337 63.100 0.008 0.000 0.771 1163 P CB 0.132 31.838 31.700 0.009 0.000 0.929 1164 R N -1.612 118.877 120.500 -0.019 0.000 2.128 1164 R HA 0.120 4.461 4.340 0.001 0.000 0.211 1164 R C 0.601 176.878 176.300 -0.038 0.000 1.067 1164 R CA 0.395 56.480 56.100 -0.024 0.000 1.010 1164 R CB -0.872 29.405 30.300 -0.038 0.000 0.922 1164 R HN -0.039 nan 8.270 nan 0.000 0.457 1165 T N 1.954 116.462 114.554 -0.076 0.000 2.609 1165 T HA -0.103 4.248 4.350 0.001 0.000 0.257 1165 T C 0.909 175.544 174.700 -0.108 0.000 1.032 1165 T CA 0.870 62.875 62.100 -0.158 0.000 1.244 1165 T CB 0.271 68.973 68.868 -0.277 0.000 1.003 1165 T HN 0.121 nan 8.240 nan 0.000 0.507 1166 K N 2.799 123.157 120.400 -0.070 0.000 2.244 1166 K HA 0.484 4.805 4.320 0.001 0.000 0.200 1166 K C 0.472 177.156 176.600 0.140 0.000 1.052 1166 K CA 0.474 56.802 56.287 0.068 0.000 0.980 1166 K CB 0.589 33.144 32.500 0.092 0.000 0.838 1166 K HN 0.622 nan 8.250 nan 0.000 0.481 1167 A N 0.286 123.113 122.820 0.011 0.000 2.556 1167 A HA 0.668 4.989 4.320 0.001 0.000 0.294 1167 A C -2.025 175.523 177.584 -0.059 0.000 1.091 1167 A CA -0.744 51.358 52.037 0.107 0.000 0.704 1167 A CB 1.326 20.483 19.000 0.261 0.000 1.300 1167 A HN 0.171 nan 8.150 nan 0.000 0.406 1168 L N 1.241 122.509 121.223 0.075 0.000 2.409 1168 L HA 0.747 5.088 4.340 0.001 0.000 0.272 1168 L C -1.399 175.541 176.870 0.116 0.000 0.980 1168 L CA -0.371 54.496 54.840 0.045 0.000 0.826 1168 L CB 2.097 44.223 42.059 0.112 0.000 1.268 1168 L HN 0.456 nan 8.230 nan 0.000 0.407 1169 V N 5.794 125.736 119.914 0.046 0.000 2.333 1169 V HA 0.575 4.696 4.120 0.001 0.000 0.274 1169 V C 0.083 176.176 176.094 -0.001 0.000 1.028 1169 V CA -0.430 61.863 62.300 -0.012 0.000 0.851 1169 V CB 1.078 32.784 31.823 -0.194 0.000 1.000 1169 V HN 0.681 nan 8.190 nan 0.000 0.456 1170 V N 2.357 122.308 119.914 0.063 0.000 2.667 1170 V HA 0.665 4.786 4.120 0.001 0.000 0.308 1170 V C -0.353 175.785 176.094 0.074 0.000 1.048 1170 V CA -0.555 61.825 62.300 0.134 0.000 0.928 1170 V CB 1.904 33.855 31.823 0.213 0.000 1.004 1170 V HN 0.919 nan 8.190 nan 0.000 0.444 1171 N N 2.605 121.323 118.700 0.030 0.000 2.648 1171 N HA 0.387 5.128 4.740 0.001 0.000 0.261 1171 N C -1.332 174.020 175.510 -0.264 0.000 1.138 1171 N CA -0.088 52.958 53.050 -0.008 0.000 0.804 1171 N CB 1.251 39.833 38.487 0.159 0.000 1.237 1171 N HN 0.940 nan 8.380 nan 0.000 0.532 1172 S N 3.774 119.339 115.700 -0.225 0.000 2.659 1172 S HA 0.521 4.991 4.470 0.001 0.000 0.312 1172 S C -2.702 171.926 174.600 0.047 0.000 1.114 1172 S CA -1.239 56.786 58.200 -0.292 0.000 1.063 1172 S CB 1.313 64.266 63.200 -0.412 0.000 0.996 1172 S HN 0.314 nan 8.310 nan 0.000 0.478 1173 P HA 0.119 nan 4.420 nan 0.000 0.270 1173 P C -0.749 176.451 177.300 -0.167 0.000 1.221 1173 P CA -0.163 62.881 63.100 -0.094 0.000 0.788 1173 P CB 0.398 32.035 31.700 -0.105 0.000 0.904 1174 N N 1.825 120.400 118.700 -0.207 0.000 2.400 1174 N HA 0.203 4.944 4.740 0.001 0.000 0.288 1174 N C -0.908 174.484 175.510 -0.196 0.000 1.024 1174 N CA -0.236 52.715 53.050 -0.165 0.000 0.894 1174 N CB 0.235 38.667 38.487 -0.090 0.000 1.173 1174 N HN 0.289 nan 8.380 nan 0.000 0.487 1175 N N 2.960 121.576 118.700 -0.139 0.000 2.392 1175 N HA 0.412 5.153 4.740 0.001 0.000 0.283 1175 N C -2.309 173.179 175.510 -0.037 0.000 1.003 1175 N CA -1.889 51.020 53.050 -0.236 0.000 0.892 1175 N CB 2.076 40.399 38.487 -0.273 0.000 1.193 1175 N HN 0.319 nan 8.380 nan 0.000 0.487 1176 P HA 0.134 nan 4.420 nan 0.000 0.268 1176 P C 0.601 177.741 177.300 -0.267 0.000 1.329 1176 P CA 0.251 63.140 63.100 -0.351 0.000 0.899 1176 P CB 0.216 31.577 31.700 -0.565 0.000 1.378 1177 T N -4.894 109.495 114.554 -0.274 0.000 3.054 1177 T HA 0.232 4.582 4.350 0.001 0.000 0.259 1177 T C 1.665 176.312 174.700 -0.089 0.000 1.092 1177 T CA 1.085 62.987 62.100 -0.331 0.000 1.121 1177 T CB -0.956 67.519 68.868 -0.655 0.000 0.912 1177 T HN 0.164 nan 8.240 nan 0.000 0.489 1178 G N 1.462 110.237 108.800 -0.042 0.000 2.179 1178 G HA2 -0.073 3.888 3.960 0.001 0.000 0.260 1178 G HA3 -0.073 3.888 3.960 0.001 0.000 0.260 1178 G C 0.294 175.231 174.900 0.062 0.000 0.977 1178 G CA -0.005 45.106 45.100 0.019 0.000 0.641 1178 G HN 1.250 nan 8.290 nan 0.000 0.533 1179 A N -0.181 122.699 122.820 0.100 0.000 2.492 1179 A HA 0.598 4.919 4.320 0.001 0.000 0.254 1179 A C 0.513 178.184 177.584 0.145 0.000 1.091 1179 A CA 0.557 52.720 52.037 0.211 0.000 0.768 1179 A CB 1.209 20.454 19.000 0.408 0.000 1.028 1179 A HN 1.406 nan 8.150 nan 0.000 0.498 1180 V N 6.134 126.154 119.914 0.176 0.000 2.318 1180 V HA 0.253 4.374 4.120 0.001 0.000 0.271 1180 V C -0.434 175.836 176.094 0.293 0.000 1.030 1180 V CA -0.484 61.894 62.300 0.131 0.000 0.844 1180 V CB -0.163 31.716 31.823 0.093 0.000 1.015 1180 V HN 0.757 nan 8.190 nan 0.000 0.460 1181 Y N 8.557 128.892 120.300 0.060 0.000 2.544 1181 Y HA 0.204 4.754 4.550 0.001 0.000 0.330 1181 Y C -1.518 174.398 175.900 0.027 0.000 1.136 1181 Y CA -2.007 56.123 58.100 0.050 0.000 1.417 1181 Y CB 0.734 39.230 38.460 0.060 0.000 1.229 1181 Y HN 0.496 nan 8.280 nan 0.000 0.532 1182 P HA 0.024 nan 4.420 nan 0.000 0.279 1182 P C 0.326 177.620 177.300 -0.011 0.000 1.239 1182 P CA -0.375 62.758 63.100 0.054 0.000 0.789 1182 P CB 1.554 33.266 31.700 0.019 0.000 0.933 1183 K N 2.421 122.757 120.400 -0.106 0.000 2.137 1183 K HA -0.287 4.034 4.320 0.001 0.000 0.216 1183 K C 1.325 177.693 176.600 -0.386 0.000 1.052 1183 K CA 2.563 58.607 56.287 -0.405 0.000 0.939 1183 K CB -0.128 32.072 32.500 -0.501 0.000 0.724 1183 K HN 0.405 nan 8.250 nan 0.000 0.465 1184 E N -0.128 119.940 120.200 -0.219 0.000 2.150 1184 E HA -0.113 4.238 4.350 0.001 0.000 0.193 1184 E C 1.951 178.502 176.600 -0.081 0.000 0.985 1184 E CA 1.239 57.548 56.400 -0.152 0.000 0.814 1184 E CB -0.005 29.630 29.700 -0.107 0.000 0.752 1184 E HN 0.184 nan 8.360 nan 0.000 0.466 1185 V N 0.584 120.468 119.914 -0.049 0.000 2.323 1185 V HA -0.181 3.940 4.120 0.001 0.000 0.244 1185 V C 2.046 178.159 176.094 0.032 0.000 1.041 1185 V CA 0.998 63.283 62.300 -0.025 0.000 1.025 1185 V CB -0.447 31.340 31.823 -0.059 0.000 0.656 1185 V HN 0.196 nan 8.190 nan 0.000 0.451 1186 L N 0.242 121.517 121.223 0.086 0.000 2.042 1186 L HA -0.176 4.165 4.340 0.001 0.000 0.210 1186 L C 2.466 179.443 176.870 0.178 0.000 1.076 1186 L CA 1.919 56.873 54.840 0.190 0.000 0.749 1186 L CB -1.071 41.179 42.059 0.319 0.000 0.893 1186 L HN 0.462 nan 8.230 nan 0.000 0.432 1187 E N -1.376 118.873 120.200 0.080 0.000 2.274 1187 E HA -0.128 4.223 4.350 0.001 0.000 0.194 1187 E C 2.099 178.719 176.600 0.033 0.000 0.996 1187 E CA 0.748 57.189 56.400 0.068 0.000 0.840 1187 E CB 0.176 29.810 29.700 -0.110 0.000 0.772 1187 E HN 0.487 nan 8.360 nan 0.000 0.491 1188 A N 0.519 123.350 122.820 0.018 0.000 1.855 1188 A HA -0.082 4.238 4.320 0.001 0.000 0.213 1188 A C 1.884 179.489 177.584 0.035 0.000 1.195 1188 A CA 0.556 52.600 52.037 0.012 0.000 0.610 1188 A CB -0.327 18.674 19.000 0.002 0.000 0.837 1188 A HN 0.211 nan 8.150 nan 0.000 0.444 1189 L N 0.021 121.284 121.223 0.067 0.000 2.187 1189 L HA -0.149 4.192 4.340 0.001 0.000 0.213 1189 L C 2.852 179.772 176.870 0.085 0.000 1.100 1189 L CA 1.738 56.641 54.840 0.105 0.000 0.765 1189 L CB -1.727 40.416 42.059 0.139 0.000 0.904 1189 L HN 0.442 nan 8.230 nan 0.000 0.437 1190 A N -0.327 122.528 122.820 0.058 0.000 1.898 1190 A HA -0.173 4.148 4.320 0.001 0.000 0.216 1190 A C 2.436 179.953 177.584 -0.111 0.000 1.181 1190 A CA 1.110 53.148 52.037 0.002 0.000 0.620 1190 A CB -0.379 18.650 19.000 0.049 0.000 0.819 1190 A HN 0.349 nan 8.150 nan 0.000 0.442 1191 R N -0.615 119.835 120.500 -0.083 0.000 2.237 1191 R HA 0.048 4.388 4.340 0.001 0.000 0.219 1191 R C 1.535 177.727 176.300 -0.180 0.000 1.080 1191 R CA 0.413 56.430 56.100 -0.138 0.000 0.995 1191 R CB -0.188 30.062 30.300 -0.083 0.000 0.875 1191 R HN 0.329 nan 8.270 nan 0.000 0.462 1192 L N 0.044 121.202 121.223 -0.108 0.000 2.095 1192 L HA 0.011 4.352 4.340 0.001 0.000 0.204 1192 L C 2.416 179.061 176.870 -0.374 0.000 1.080 1192 L CA 1.629 56.458 54.840 -0.019 0.000 0.759 1192 L CB -1.346 40.846 42.059 0.222 0.000 0.914 1192 L HN 0.145 nan 8.230 nan 0.000 0.439 1193 A N -0.839 121.582 122.820 -0.665 0.000 1.902 1193 A HA -0.162 4.159 4.320 0.001 0.000 0.217 1193 A C 2.514 179.464 177.584 -1.056 0.000 1.181 1193 A CA 1.839 53.016 52.037 -1.433 0.000 0.623 1193 A CB -0.786 17.812 19.000 -0.670 0.000 0.818 1193 A HN 0.203 nan 8.150 nan 0.000 0.443 1194 V N -0.255 119.165 119.914 -0.824 0.000 2.323 1194 V HA -0.211 3.910 4.120 0.001 0.000 0.244 1194 V C 2.511 178.320 176.094 -0.476 0.000 1.041 1194 V CA 2.305 64.112 62.300 -0.822 0.000 1.025 1194 V CB -0.379 31.124 31.823 -0.534 0.000 0.656 1194 V HN 0.748 nan 8.190 nan 0.000 0.451 1195 E N -0.763 119.167 120.200 -0.450 0.000 2.110 1195 E HA -0.226 4.125 4.350 0.001 0.000 0.193 1195 E C 1.430 177.683 176.600 -0.577 0.000 0.988 1195 E CA 1.505 57.613 56.400 -0.487 0.000 0.804 1195 E CB 0.009 29.370 29.700 -0.564 0.000 0.745 1195 E HN 0.823 nan 8.360 nan 0.000 0.458 1196 H N -0.743 118.220 119.070 -0.178 0.000 2.592 1196 H HA 0.173 4.730 4.556 0.001 0.000 0.279 1196 H C -0.822 174.510 175.328 0.007 0.000 1.089 1196 H CA 0.098 56.136 56.048 -0.016 0.000 1.150 1196 H CB 0.575 30.452 29.762 0.192 0.000 1.575 1196 H HN 0.083 nan 8.280 nan 0.000 0.547 1197 D N 0.872 121.220 120.400 -0.088 0.000 3.278 1197 D HA -0.197 4.444 4.640 0.001 0.000 0.233 1197 D C -1.041 175.320 176.300 0.103 0.000 1.149 1197 D CA 0.948 54.955 54.000 0.011 0.000 0.957 1197 D CB -0.848 39.979 40.800 0.045 0.000 0.913 1197 D HN 0.499 nan 8.370 nan 0.000 0.409 1198 F N -0.989 119.017 119.950 0.093 0.000 2.686 1198 F HA 0.587 5.115 4.527 0.001 0.000 0.311 1198 F C -0.978 174.848 175.800 0.045 0.000 1.128 1198 F CA -1.572 56.429 58.000 0.002 0.000 0.946 1198 F CB 0.918 39.953 39.000 0.057 0.000 1.336 1198 F HN -0.129 nan 8.300 nan 0.000 0.457 1199 Y N 1.887 122.460 120.300 0.454 0.000 2.346 1199 Y HA 0.456 5.006 4.550 0.001 0.000 0.330 1199 Y C -0.020 176.103 175.900 0.372 0.000 1.178 1199 Y CA -0.594 57.694 58.100 0.313 0.000 1.331 1199 Y CB 1.227 39.807 38.460 0.200 0.000 1.253 1199 Y HN 0.605 nan 8.280 nan 0.000 0.529 1200 L N 4.523 125.999 121.223 0.422 0.000 2.316 1200 L HA 0.515 4.856 4.340 0.001 0.000 0.280 1200 L C -1.359 175.636 176.870 0.208 0.000 1.006 1200 L CA -0.792 54.232 54.840 0.306 0.000 0.836 1200 L CB 0.586 42.774 42.059 0.215 0.000 1.221 1200 L HN 0.414 nan 8.230 nan 0.000 0.418 1201 V N 3.514 123.531 119.914 0.173 0.000 2.498 1201 V HA 0.314 4.435 4.120 0.001 0.000 0.279 1201 V C 0.310 176.449 176.094 0.076 0.000 1.048 1201 V CA -0.208 62.141 62.300 0.083 0.000 0.967 1201 V CB 1.469 33.323 31.823 0.051 0.000 0.988 1201 V HN 0.784 nan 8.190 nan 0.000 0.473 1202 S N 2.606 118.337 115.700 0.051 0.000 2.733 1202 S HA 0.255 4.726 4.470 0.001 0.000 0.307 1202 S C -0.436 174.205 174.600 0.067 0.000 1.127 1202 S CA -0.669 57.569 58.200 0.063 0.000 1.097 1202 S CB 0.769 63.999 63.200 0.050 0.000 1.003 1202 S HN 0.820 nan 8.310 nan 0.000 0.477 1203 D N 4.116 124.578 120.400 0.103 0.000 2.713 1203 D HA 0.072 4.713 4.640 0.001 0.000 0.229 1203 D C 0.629 176.997 176.300 0.113 0.000 1.136 1203 D CA -0.360 53.719 54.000 0.131 0.000 1.010 1203 D CB 0.208 41.173 40.800 0.274 0.000 1.084 1203 D HN 0.788 nan 8.370 nan 0.000 0.495 1204 E N 1.547 121.808 120.200 0.103 0.000 2.594 1204 E HA 0.017 4.368 4.350 0.001 0.000 0.300 1204 E C 1.324 177.919 176.600 -0.007 0.000 1.568 1204 E CA -0.233 56.241 56.400 0.123 0.000 1.811 1204 E CB 0.002 29.862 29.700 0.267 0.000 1.458 1204 E HN 0.467 nan 8.360 nan 0.000 0.470 1205 I N -0.158 120.356 120.570 -0.092 0.000 3.111 1205 I HA -0.151 4.019 4.170 0.001 0.000 0.272 1205 I C 0.320 176.151 176.117 -0.476 0.000 1.268 1205 I CA 0.497 61.609 61.300 -0.314 0.000 1.467 1205 I CB 0.253 37.978 38.000 -0.459 0.000 1.087 1205 I HN 0.251 nan 8.210 nan 0.000 0.467 1206 Y N 0.491 120.676 120.300 -0.193 0.000 2.607 1206 Y HA 0.101 4.652 4.550 0.001 0.000 0.266 1206 Y C 1.996 177.738 175.900 -0.263 0.000 1.178 1206 Y CA -0.119 57.824 58.100 -0.262 0.000 1.226 1206 Y CB -0.283 37.994 38.460 -0.304 0.000 1.144 1206 Y HN 0.257 nan 8.280 nan 0.000 0.528 1207 E N -0.055 120.014 120.200 -0.219 0.000 2.187 1207 E HA -0.316 4.034 4.350 0.001 0.000 0.199 1207 E C 0.677 176.994 176.600 -0.472 0.000 1.004 1207 E CA 2.126 58.183 56.400 -0.573 0.000 0.813 1207 E CB -0.236 28.914 29.700 -0.917 0.000 0.736 1207 E HN 0.616 nan 8.360 nan 0.000 0.468 1208 H N -0.224 118.700 119.070 -0.243 0.000 2.544 1208 H HA 0.246 4.803 4.556 0.001 0.000 0.269 1208 H C 0.477 175.705 175.328 -0.166 0.000 0.970 1208 H CA 0.517 56.455 56.048 -0.183 0.000 1.219 1208 H CB 0.354 30.004 29.762 -0.186 0.000 1.421 1208 H HN 0.091 nan 8.280 nan 0.000 0.555 1209 L N 1.678 122.822 121.223 -0.131 0.000 2.648 1209 L HA 0.207 4.548 4.340 0.001 0.000 0.238 1209 L C -0.735 175.779 176.870 -0.592 0.000 1.316 1209 L CA -0.110 54.559 54.840 -0.285 0.000 1.241 1209 L CB 0.147 42.043 42.059 -0.271 0.000 1.499 1209 L HN 0.157 nan 8.230 nan 0.000 0.411 1210 L N 0.055 120.995 121.223 -0.472 0.000 2.337 1210 L HA 0.274 4.615 4.340 0.001 0.000 0.269 1210 L C 0.517 177.205 176.870 -0.303 0.000 1.018 1210 L CA -0.378 54.234 54.840 -0.381 0.000 0.876 1210 L CB 0.893 42.860 42.059 -0.154 0.000 1.236 1210 L HN 0.241 nan 8.230 nan 0.000 0.436 1211 Y N 1.976 122.323 120.300 0.078 0.000 2.220 1211 Y HA -0.028 4.523 4.550 0.001 0.000 0.291 1211 Y C 0.725 176.661 175.900 0.059 0.000 1.129 1211 Y CA 0.180 58.325 58.100 0.076 0.000 1.161 1211 Y CB 0.275 38.786 38.460 0.085 0.000 0.997 1211 Y HN 0.450 nan 8.280 nan 0.000 0.522 1212 E N 0.127 120.432 120.200 0.175 0.000 2.294 1212 E HA 0.553 4.903 4.350 0.001 0.000 0.272 1212 E C -0.371 176.282 176.600 0.089 0.000 0.896 1212 E CA -0.329 56.144 56.400 0.121 0.000 0.802 1212 E CB 1.795 31.570 29.700 0.124 0.000 1.267 1212 E HN 0.257 nan 8.360 nan 0.000 0.406 1213 G N 2.794 111.637 108.800 0.071 0.000 2.347 1213 G HA2 0.120 4.081 3.960 0.001 0.000 0.341 1213 G HA3 0.120 4.081 3.960 0.001 0.000 0.341 1213 G C -1.535 173.403 174.900 0.063 0.000 1.287 1213 G CA -0.387 44.752 45.100 0.065 0.000 0.984 1213 G HN 0.796 nan 8.290 nan 0.000 0.526 1214 E N -1.313 118.929 120.200 0.069 0.000 2.227 1214 E HA 0.656 5.006 4.350 0.001 0.000 0.268 1214 E C -0.782 175.886 176.600 0.114 0.000 0.907 1214 E CA -1.056 55.395 56.400 0.085 0.000 0.786 1214 E CB 2.033 31.780 29.700 0.079 0.000 1.191 1214 E HN 0.712 nan 8.360 nan 0.000 0.411 1215 H N 2.277 121.377 119.070 0.050 0.000 2.594 1215 H HA 0.313 4.870 4.556 0.001 0.000 0.304 1215 H C -1.795 173.614 175.328 0.135 0.000 1.068 1215 H CA -0.730 55.354 56.048 0.060 0.000 1.308 1215 H CB 0.413 30.158 29.762 -0.029 0.000 1.409 1215 H HN 0.477 nan 8.280 nan 0.000 0.460 1216 F N 3.792 123.496 119.950 -0.410 0.000 2.436 1216 F HA 0.408 4.936 4.527 0.001 0.000 0.340 1216 F C -0.529 175.112 175.800 -0.265 0.000 1.113 1216 F CA -0.612 57.261 58.000 -0.213 0.000 1.022 1216 F CB 1.305 40.240 39.000 -0.109 0.000 1.128 1216 F HN 0.423 nan 8.300 nan 0.000 0.466 1217 S N 8.432 123.679 115.700 -0.754 0.000 2.410 1217 S HA 0.229 4.700 4.470 0.001 0.000 0.304 1217 S C -1.720 172.426 174.600 -0.757 0.000 1.095 1217 S CA -1.065 56.858 58.200 -0.463 0.000 1.089 1217 S CB 1.228 64.302 63.200 -0.211 0.000 0.968 1217 S HN 0.559 nan 8.310 nan 0.000 0.480 1218 P HA -0.101 nan 4.420 nan 0.000 0.221 1218 P C 1.455 178.692 177.300 -0.105 0.000 1.145 1218 P CA 0.868 63.907 63.100 -0.102 0.000 0.795 1218 P CB -0.083 31.660 31.700 0.073 0.000 0.775 1219 G N 0.378 109.094 108.800 -0.139 0.000 2.470 1219 G HA2 -0.230 3.731 3.960 0.001 0.000 0.220 1219 G HA3 -0.230 3.731 3.960 0.001 0.000 0.220 1219 G C 1.742 176.594 174.900 -0.081 0.000 1.121 1219 G CA 0.267 45.316 45.100 -0.084 0.000 0.766 1219 G HN 0.248 nan 8.290 nan 0.000 0.553 1220 R N -0.296 120.109 120.500 -0.158 0.000 2.096 1220 R HA 0.008 4.349 4.340 0.001 0.000 0.235 1220 R C 2.742 179.050 176.300 0.013 0.000 1.127 1220 R CA 1.289 57.340 56.100 -0.082 0.000 0.968 1220 R CB -0.452 29.767 30.300 -0.135 0.000 0.861 1220 R HN 0.395 nan 8.270 nan 0.000 0.440 1221 V N -0.921 119.021 119.914 0.048 0.000 2.273 1221 V HA 0.173 4.294 4.120 0.001 0.000 0.242 1221 V C 0.844 176.962 176.094 0.039 0.000 1.035 1221 V CA 1.367 63.719 62.300 0.087 0.000 1.013 1221 V CB -0.235 31.684 31.823 0.161 0.000 0.652 1221 V HN 0.145 nan 8.190 nan 0.000 0.452 1222 A N 1.985 124.821 122.820 0.028 0.000 2.801 1222 A HA 0.654 4.975 4.320 0.001 0.000 0.344 1222 A C -1.203 176.430 177.584 0.083 0.000 1.322 1222 A CA -0.986 51.068 52.037 0.030 0.000 0.913 1222 A CB 0.240 19.209 19.000 -0.052 0.000 1.140 1222 A HN 0.579 nan 8.150 nan 0.000 0.487 1223 P HA -0.108 nan 4.420 nan 0.000 0.229 1223 P C 0.595 177.939 177.300 0.072 0.000 1.160 1223 P CA 0.997 64.128 63.100 0.053 0.000 0.777 1223 P CB 0.459 32.177 31.700 0.030 0.000 0.814 1224 E N -1.015 119.259 120.200 0.123 0.000 2.400 1224 E HA -0.053 4.297 4.350 0.001 0.000 0.195 1224 E C 0.976 177.553 176.600 -0.039 0.000 1.012 1224 E CA 0.654 57.070 56.400 0.026 0.000 0.875 1224 E CB -0.165 29.497 29.700 -0.063 0.000 0.859 1224 E HN 0.547 nan 8.360 nan 0.000 0.498 1225 H N -0.565 118.522 119.070 0.029 0.000 2.885 1225 H HA 0.171 4.727 4.556 0.001 0.000 0.260 1225 H C 0.160 175.589 175.328 0.169 0.000 0.985 1225 H CA 0.178 56.265 56.048 0.066 0.000 1.210 1225 H CB 0.549 30.270 29.762 -0.068 0.000 1.466 1225 H HN -0.147 nan 8.280 nan 0.000 0.493 1226 T N 1.572 116.257 114.554 0.220 0.000 2.869 1226 T HA 0.367 4.718 4.350 0.001 0.000 0.295 1226 T C -0.145 174.601 174.700 0.078 0.000 0.987 1226 T CA -0.370 61.812 62.100 0.137 0.000 1.109 1226 T CB 1.193 70.099 68.868 0.063 0.000 0.932 1226 T HN 0.088 nan 8.240 nan 0.000 0.518 1227 L N 3.378 124.630 121.223 0.048 0.000 2.417 1227 L HA 0.310 4.650 4.340 0.001 0.000 0.259 1227 L C 0.006 176.835 176.870 -0.069 0.000 1.023 1227 L CA -0.397 54.423 54.840 -0.033 0.000 0.901 1227 L CB 0.884 42.912 42.059 -0.052 0.000 1.227 1227 L HN 0.650 nan 8.230 nan 0.000 0.454 1228 T N 2.581 117.051 114.554 -0.139 0.000 2.870 1228 T HA 0.268 4.619 4.350 0.001 0.000 0.300 1228 T C -0.072 174.537 174.700 -0.152 0.000 0.989 1228 T CA -0.044 61.954 62.100 -0.171 0.000 1.139 1228 T CB 1.013 69.674 68.868 -0.344 0.000 0.920 1228 T HN 0.211 nan 8.240 nan 0.000 0.537 1229 V N 5.495 125.381 119.914 -0.047 0.000 2.340 1229 V HA 0.327 4.447 4.120 0.001 0.000 0.277 1229 V C 0.301 176.407 176.094 0.020 0.000 1.017 1229 V CA -0.952 61.343 62.300 -0.009 0.000 0.820 1229 V CB 0.990 32.806 31.823 -0.012 0.000 1.028 1229 V HN 0.771 nan 8.190 nan 0.000 0.436 1230 N N 2.139 120.885 118.700 0.078 0.000 2.681 1230 N HA 0.805 5.546 4.740 0.001 0.000 0.311 1230 N C -0.007 175.247 175.510 -0.427 0.000 1.303 1230 N CA 0.272 53.295 53.050 -0.045 0.000 0.926 1230 N CB 2.268 40.908 38.487 0.254 0.000 1.136 1230 N HN 0.759 nan 8.380 nan 0.000 0.592 1231 G N -1.795 106.565 108.800 -0.733 0.000 2.633 1231 G HA2 0.467 4.428 3.960 0.001 0.000 0.299 1231 G HA3 0.467 4.428 3.960 0.001 0.000 0.299 1231 G C -0.932 173.626 174.900 -0.570 0.000 1.501 1231 G CA -0.046 44.558 45.100 -0.827 0.000 0.887 1231 G HN 0.533 nan 8.290 nan 0.000 0.561 1232 A N 0.513 123.145 122.820 -0.313 0.000 2.359 1232 A HA 0.607 4.928 4.320 0.001 0.000 0.240 1232 A C 1.896 179.542 177.584 0.103 0.000 1.306 1232 A CA 1.341 53.490 52.037 0.186 0.000 0.898 1232 A CB -0.211 19.080 19.000 0.484 0.000 0.956 1232 A HN 1.732 nan 8.150 nan 0.000 0.497 1233 A N -0.521 122.268 122.820 -0.052 0.000 2.147 1233 A HA 0.148 4.469 4.320 0.001 0.000 0.211 1233 A C 1.983 179.564 177.584 -0.006 0.000 1.160 1233 A CA 0.719 52.751 52.037 -0.008 0.000 0.781 1233 A CB 0.061 19.040 19.000 -0.036 0.000 0.842 1233 A HN 0.279 nan 8.150 nan 0.000 0.475 1234 K N -0.681 119.651 120.400 -0.114 0.000 2.286 1234 K HA 0.316 4.637 4.320 0.001 0.000 0.203 1234 K C 2.172 178.751 176.600 -0.034 0.000 1.078 1234 K CA 1.042 57.295 56.287 -0.057 0.000 0.957 1234 K CB -0.804 31.518 32.500 -0.296 0.000 1.018 1234 K HN 0.280 nan 8.250 nan 0.000 0.484 1235 A N 0.915 123.552 122.820 -0.305 0.000 1.933 1235 A HA -0.071 4.250 4.320 0.001 0.000 0.218 1235 A C 1.304 178.602 177.584 -0.476 0.000 1.175 1235 A CA 1.283 52.974 52.037 -0.575 0.000 0.628 1235 A CB -0.587 17.677 19.000 -1.227 0.000 0.814 1235 A HN 0.262 nan 8.150 nan 0.000 0.444 1236 F N -1.737 118.289 119.950 0.126 0.000 2.708 1236 F HA 0.533 5.061 4.527 0.001 0.000 0.300 1236 F C 1.312 177.106 175.800 -0.011 0.000 1.118 1236 F CA 0.202 58.217 58.000 0.025 0.000 1.307 1236 F CB 0.081 38.974 39.000 -0.177 0.000 0.986 1236 F HN 0.263 nan 8.300 nan 0.000 0.522 1237 A N 0.429 123.428 122.820 0.298 0.000 2.798 1237 A HA -0.305 4.015 4.320 0.001 0.000 0.282 1237 A C 0.798 178.519 177.584 0.228 0.000 1.464 1237 A CA 1.217 53.434 52.037 0.300 0.000 0.844 1237 A CB -2.276 16.954 19.000 0.383 0.000 1.006 1237 A HN 0.538 nan 8.150 nan 0.000 0.577 1238 M N 0.573 120.274 119.600 0.169 0.000 3.242 1238 M HA 0.082 4.563 4.480 0.001 0.000 0.250 1238 M C 1.573 178.077 176.300 0.339 0.000 1.239 1238 M CA 0.594 56.017 55.300 0.205 0.000 1.205 1238 M CB -0.297 32.207 32.600 -0.160 0.000 1.189 1238 M HN 0.557 nan 8.290 nan 0.000 0.531 1239 T N -2.816 111.907 114.554 0.282 0.000 2.857 1239 T HA -0.055 4.295 4.350 0.001 0.000 0.266 1239 T C 1.920 176.730 174.700 0.184 0.000 1.048 1239 T CA 1.443 63.655 62.100 0.187 0.000 1.139 1239 T CB -0.419 68.529 68.868 0.134 0.000 0.874 1239 T HN 0.620 nan 8.240 nan 0.000 0.455 1240 G N -0.280 108.642 108.800 0.204 0.000 2.650 1240 G HA2 0.021 3.982 3.960 0.001 0.000 0.214 1240 G HA3 0.021 3.982 3.960 0.001 0.000 0.214 1240 G C 0.934 175.813 174.900 -0.035 0.000 1.136 1240 G CA -0.165 44.955 45.100 0.033 0.000 0.789 1240 G HN 0.578 nan 8.290 nan 0.000 0.536 1241 W N -0.020 121.291 121.300 0.019 0.000 2.518 1241 W HA 0.259 4.920 4.660 0.001 0.000 0.273 1241 W C 0.772 177.300 176.519 0.014 0.000 1.247 1241 W CA -0.136 57.219 57.345 0.017 0.000 1.288 1241 W CB 0.280 29.752 29.460 0.020 0.000 1.107 1241 W HN -0.035 nan 8.180 nan 0.000 0.586 1242 R N 0.045 120.672 120.500 0.211 0.000 3.209 1242 R HA -0.171 4.169 4.340 0.001 0.000 0.252 1242 R C -0.896 175.473 176.300 0.116 0.000 0.958 1242 R CA 0.594 56.764 56.100 0.116 0.000 0.651 1242 R CB -3.039 27.299 30.300 0.065 0.000 1.142 1242 R HN 0.139 nan 8.270 nan 0.000 0.441 1243 I N -0.239 120.406 120.570 0.125 0.000 2.498 1243 I HA 0.643 4.813 4.170 0.001 0.000 0.290 1243 I C 1.074 177.216 176.117 0.042 0.000 1.032 1243 I CA -0.357 61.012 61.300 0.115 0.000 1.073 1243 I CB 2.100 40.195 38.000 0.159 0.000 1.251 1243 I HN 0.332 nan 8.210 nan 0.000 0.426 1244 G N 5.531 114.349 108.800 0.029 0.000 2.680 1244 G HA2 0.799 4.759 3.960 0.001 0.000 0.290 1244 G HA3 0.799 4.759 3.960 0.001 0.000 0.290 1244 G C -1.968 172.953 174.900 0.035 0.000 1.355 1244 G CA -0.425 44.590 45.100 -0.142 0.000 0.903 1244 G HN 0.503 nan 8.290 nan 0.000 0.474 1245 Y N -2.375 117.971 120.300 0.078 0.000 2.638 1245 Y HA 0.869 5.420 4.550 0.001 0.000 0.335 1245 Y C -0.027 175.988 175.900 0.191 0.000 1.155 1245 Y CA -1.227 56.950 58.100 0.128 0.000 1.046 1245 Y CB 1.489 40.029 38.460 0.134 0.000 1.303 1245 Y HN 1.110 nan 8.280 nan 0.000 0.460 1246 A N 0.181 123.218 122.820 0.362 0.000 2.564 1246 A HA 0.892 5.213 4.320 0.001 0.000 0.291 1246 A C -1.147 176.436 177.584 -0.001 0.000 1.102 1246 A CA -0.300 51.812 52.037 0.126 0.000 0.660 1246 A CB 1.008 20.020 19.000 0.020 0.000 1.283 1246 A HN 1.938 nan 8.150 nan 0.000 0.430 1247 C N -1.633 117.522 119.300 -0.242 0.000 3.306 1247 C HA 1.054 5.515 4.460 0.001 0.000 0.335 1247 C C 0.276 175.141 174.990 -0.209 0.000 1.382 1247 C CA 0.399 59.275 59.018 -0.236 0.000 1.254 1247 C CB 1.075 28.576 27.740 -0.398 0.000 1.555 1247 C HN 2.946 nan 8.230 nan 0.000 0.463 1248 G N 0.262 108.984 108.800 -0.129 0.000 2.368 1248 G HA2 0.528 4.489 3.960 0.001 0.000 0.269 1248 G HA3 0.528 4.489 3.960 0.001 0.000 0.269 1248 G C -3.565 171.312 174.900 -0.038 0.000 1.291 1248 G CA -0.517 44.534 45.100 -0.081 0.000 0.903 1248 G HN 0.657 nan 8.290 nan 0.000 0.483 1249 P HA 0.167 nan 4.420 nan 0.000 0.262 1249 P C 0.851 178.149 177.300 -0.003 0.000 1.199 1249 P CA 0.127 63.232 63.100 0.008 0.000 0.763 1249 P CB 1.062 32.791 31.700 0.050 0.000 0.790 1250 K N 3.543 123.942 120.400 -0.002 0.000 2.052 1250 K HA -0.296 4.024 4.320 0.001 0.000 0.215 1250 K C 1.410 178.008 176.600 -0.003 0.000 1.053 1250 K CA 2.143 58.428 56.287 -0.002 0.000 0.934 1250 K CB -0.146 32.355 32.500 0.001 0.000 0.717 1250 K HN 0.483 nan 8.250 nan 0.000 0.450 1251 E N -0.300 119.903 120.200 0.005 0.000 2.108 1251 E HA -0.238 4.113 4.350 0.001 0.000 0.203 1251 E C 1.846 178.445 176.600 -0.002 0.000 1.022 1251 E CA 2.017 58.423 56.400 0.010 0.000 0.823 1251 E CB -0.125 29.592 29.700 0.028 0.000 0.744 1251 E HN 0.174 nan 8.360 nan 0.000 0.456 1252 V N 0.353 120.256 119.914 -0.018 0.000 3.129 1252 V HA -0.109 4.011 4.120 0.001 0.000 0.259 1252 V C 1.970 178.024 176.094 -0.067 0.000 1.116 1252 V CA 0.623 62.880 62.300 -0.072 0.000 1.127 1252 V CB -0.131 31.587 31.823 -0.174 0.000 0.742 1252 V HN 0.159 nan 8.190 nan 0.000 0.474 1253 I N 1.281 121.825 120.570 -0.043 0.000 2.286 1253 I HA -0.178 3.992 4.170 0.001 0.000 0.245 1253 I C 2.574 178.679 176.117 -0.020 0.000 1.104 1253 I CA 1.625 62.905 61.300 -0.032 0.000 1.397 1253 I CB -0.314 37.674 38.000 -0.021 0.000 1.072 1253 I HN 0.379 nan 8.210 nan 0.000 0.417 1254 K N 0.547 120.938 120.400 -0.014 0.000 2.211 1254 K HA -0.016 4.305 4.320 0.001 0.000 0.203 1254 K C 1.952 178.547 176.600 -0.009 0.000 1.050 1254 K CA 1.344 57.626 56.287 -0.008 0.000 0.945 1254 K CB -0.493 32.004 32.500 -0.004 0.000 0.732 1254 K HN 0.200 nan 8.250 nan 0.000 0.451 1255 A N 1.709 124.519 122.820 -0.016 0.000 1.969 1255 A HA -0.009 4.312 4.320 0.001 0.000 0.218 1255 A C 2.169 179.744 177.584 -0.016 0.000 1.169 1255 A CA 1.268 53.295 52.037 -0.016 0.000 0.635 1255 A CB -0.443 18.542 19.000 -0.025 0.000 0.810 1255 A HN 0.332 nan 8.150 nan 0.000 0.445 1256 M N -0.908 118.678 119.600 -0.023 0.000 2.349 1256 M HA -0.020 4.461 4.480 0.001 0.000 0.266 1256 M C 2.415 178.718 176.300 0.005 0.000 1.076 1256 M CA 1.077 56.369 55.300 -0.014 0.000 1.126 1256 M CB -0.323 32.261 32.600 -0.027 0.000 1.392 1256 M HN 0.479 nan 8.290 nan 0.000 0.440 1257 A N -0.362 122.458 122.820 0.001 0.000 1.968 1257 A HA -0.066 4.255 4.320 0.001 0.000 0.217 1257 A C 2.299 179.886 177.584 0.005 0.000 1.169 1257 A CA 1.597 53.637 52.037 0.005 0.000 0.638 1257 A CB -0.467 18.533 19.000 0.001 0.000 0.812 1257 A HN 0.369 nan 8.150 nan 0.000 0.446 1258 S N -0.308 115.394 115.700 0.004 0.000 2.345 1258 S HA -0.120 4.351 4.470 0.001 0.000 0.220 1258 S C 1.893 176.503 174.600 0.016 0.000 1.031 1258 S CA 1.491 59.695 58.200 0.006 0.000 0.996 1258 S CB -0.435 62.767 63.200 0.004 0.000 0.882 1258 S HN 0.342 nan 8.310 nan 0.000 0.445 1259 V N 1.370 121.299 119.914 0.025 0.000 2.594 1259 V HA -0.141 3.979 4.120 0.001 0.000 0.253 1259 V C 2.457 178.587 176.094 0.061 0.000 1.069 1259 V CA 1.727 64.057 62.300 0.051 0.000 1.082 1259 V CB -0.851 31.009 31.823 0.061 0.000 0.680 1259 V HN 0.456 nan 8.190 nan 0.000 0.469 1260 S N -0.050 115.677 115.700 0.044 0.000 2.356 1260 S HA -0.248 4.223 4.470 0.001 0.000 0.223 1260 S C 2.209 176.821 174.600 0.020 0.000 1.032 1260 S CA 2.009 60.232 58.200 0.039 0.000 1.005 1260 S CB -0.226 62.990 63.200 0.026 0.000 0.867 1260 S HN 0.596 nan 8.310 nan 0.000 0.449 1261 R N 1.402 121.905 120.500 0.005 0.000 2.062 1261 R HA 0.042 4.383 4.340 0.001 0.000 0.231 1261 R C 2.189 178.482 176.300 -0.012 0.000 1.136 1261 R CA 1.876 57.966 56.100 -0.017 0.000 0.948 1261 R CB -1.190 29.095 30.300 -0.025 0.000 0.845 1261 R HN 0.324 nan 8.270 nan 0.000 0.430 1262 Q N 0.351 120.155 119.800 0.007 0.000 2.226 1262 Q HA -0.080 4.261 4.340 0.001 0.000 0.204 1262 Q C 2.024 178.040 176.000 0.026 0.000 0.975 1262 Q CA 1.893 57.706 55.803 0.016 0.000 0.866 1262 Q CB -0.193 28.562 28.738 0.029 0.000 0.915 1262 Q HN 0.636 nan 8.270 nan 0.000 0.440 1263 S N -0.440 115.283 115.700 0.038 0.000 2.398 1263 S HA -0.029 4.442 4.470 0.001 0.000 0.220 1263 S C 1.939 176.548 174.600 0.015 0.000 1.046 1263 S CA 1.198 59.422 58.200 0.040 0.000 0.953 1263 S CB -0.213 63.031 63.200 0.072 0.000 0.856 1263 S HN 0.404 nan 8.310 nan 0.000 0.506 1264 T N -3.864 110.696 114.554 0.010 0.000 2.975 1264 T HA 0.376 4.727 4.350 0.001 0.000 0.261 1264 T C 0.946 175.641 174.700 -0.007 0.000 0.984 1264 T CA 0.788 62.891 62.100 0.004 0.000 0.911 1264 T CB 0.194 69.067 68.868 0.009 0.000 1.127 1264 T HN 0.362 nan 8.240 nan 0.000 0.514 1265 T N 0.453 114.989 114.554 -0.029 0.000 13.126 1265 T HA -0.196 4.155 4.350 0.001 0.000 0.416 1265 T C 0.155 174.825 174.700 -0.049 0.000 1.468 1265 T CA 1.493 63.545 62.100 -0.080 0.000 2.402 1265 T CB -1.836 66.933 68.868 -0.165 0.000 2.777 1265 T HN 1.078 nan 8.240 nan 0.000 0.620 1266 S N 0.967 116.661 115.700 -0.011 0.000 2.622 1266 S HA 0.535 5.005 4.470 0.001 0.000 0.275 1266 S C -3.122 171.504 174.600 0.042 0.000 1.112 1266 S CA -0.610 57.599 58.200 0.015 0.000 0.837 1266 S CB 1.823 65.033 63.200 0.016 0.000 1.082 1266 S HN 0.339 nan 8.310 nan 0.000 0.456 1267 P HA 0.210 nan 4.420 nan 0.000 0.274 1267 P C -0.679 176.664 177.300 0.072 0.000 1.256 1267 P CA -0.281 62.852 63.100 0.055 0.000 0.795 1267 P CB 0.216 31.948 31.700 0.053 0.000 1.038 1268 D N -0.233 120.214 120.400 0.079 0.000 2.601 1268 D HA -0.063 4.578 4.640 0.001 0.000 0.229 1268 D C 0.852 177.216 176.300 0.107 0.000 1.140 1268 D CA 0.921 54.977 54.000 0.093 0.000 0.862 1268 D CB 0.705 41.563 40.800 0.097 0.000 1.192 1268 D HN 0.272 nan 8.370 nan 0.000 0.480 1269 T N 3.542 118.177 114.554 0.134 0.000 3.009 1269 T HA -0.019 4.332 4.350 0.001 0.000 0.258 1269 T C 1.935 176.815 174.700 0.300 0.000 1.063 1269 T CA 0.089 62.297 62.100 0.181 0.000 1.139 1269 T CB 0.214 69.211 68.868 0.216 0.000 0.890 1269 T HN 0.317 nan 8.240 nan 0.000 0.471 1270 I N 2.235 122.953 120.570 0.248 0.000 2.163 1270 I HA -0.048 4.123 4.170 0.001 0.000 0.240 1270 I C 2.775 179.072 176.117 0.301 0.000 1.081 1270 I CA 1.066 62.530 61.300 0.275 0.000 1.353 1270 I CB -0.760 37.341 38.000 0.169 0.000 1.054 1270 I HN 0.162 nan 8.210 nan 0.000 0.407 1271 A N -0.428 122.550 122.820 0.263 0.000 1.978 1271 A HA -0.266 4.054 4.320 0.001 0.000 0.220 1271 A C 2.260 179.936 177.584 0.153 0.000 1.170 1271 A CA 1.674 53.898 52.037 0.311 0.000 0.636 1271 A CB -0.663 18.529 19.000 0.321 0.000 0.810 1271 A HN 0.558 nan 8.150 nan 0.000 0.448 1272 Q N -2.057 117.778 119.800 0.058 0.000 2.172 1272 Q HA -0.166 4.175 4.340 0.001 0.000 0.200 1272 Q C 1.839 177.709 176.000 -0.216 0.000 0.964 1272 Q CA 1.261 56.996 55.803 -0.113 0.000 0.855 1272 Q CB -0.155 28.452 28.738 -0.219 0.000 0.918 1272 Q HN 0.906 nan 8.270 nan 0.000 0.444 1273 W N 0.478 121.773 121.300 -0.009 0.000 2.409 1273 W HA -0.077 4.584 4.660 0.001 0.000 0.299 1273 W C 2.496 178.959 176.519 -0.093 0.000 1.203 1273 W CA 0.955 58.274 57.345 -0.042 0.000 1.298 1273 W CB -0.223 29.226 29.460 -0.019 0.000 1.127 1273 W HN 0.122 nan 8.180 nan 0.000 0.528 1274 A N -0.112 122.778 122.820 0.117 0.000 1.883 1274 A HA -0.216 4.105 4.320 0.001 0.000 0.217 1274 A C 1.856 179.280 177.584 -0.267 0.000 1.186 1274 A CA 2.487 54.466 52.037 -0.097 0.000 0.624 1274 A CB -1.383 17.531 19.000 -0.144 0.000 0.822 1274 A HN 0.222 nan 8.150 nan 0.000 0.444 1275 T N 0.287 114.703 114.554 -0.230 0.000 2.720 1275 T HA -0.157 4.193 4.350 0.001 0.000 0.268 1275 T C 1.813 176.329 174.700 -0.306 0.000 1.037 1275 T CA 1.355 63.288 62.100 -0.278 0.000 1.144 1275 T CB -0.431 68.355 68.868 -0.138 0.000 0.864 1275 T HN 0.404 nan 8.240 nan 0.000 0.444 1276 L N 0.922 122.002 121.223 -0.239 0.000 2.042 1276 L HA -0.177 4.163 4.340 0.001 0.000 0.210 1276 L C 2.653 179.398 176.870 -0.208 0.000 1.076 1276 L CA 1.866 56.572 54.840 -0.225 0.000 0.749 1276 L CB -0.287 41.664 42.059 -0.181 0.000 0.893 1276 L HN 0.235 nan 8.230 nan 0.000 0.432 1277 E N 0.251 120.330 120.200 -0.202 0.000 2.153 1277 E HA -0.197 4.153 4.350 0.001 0.000 0.194 1277 E C 1.900 178.315 176.600 -0.309 0.000 0.988 1277 E CA 1.466 57.741 56.400 -0.209 0.000 0.811 1277 E CB -0.103 29.464 29.700 -0.222 0.000 0.746 1277 E HN 0.539 nan 8.360 nan 0.000 0.466 1278 A N 0.172 122.688 122.820 -0.506 0.000 1.968 1278 A HA -0.016 4.304 4.320 0.001 0.000 0.217 1278 A C 2.107 179.355 177.584 -0.560 0.000 1.169 1278 A CA 1.115 52.709 52.037 -0.738 0.000 0.638 1278 A CB -0.382 17.830 19.000 -1.313 0.000 0.812 1278 A HN 0.337 nan 8.150 nan 0.000 0.446 1279 L N -0.559 120.424 121.223 -0.400 0.000 2.307 1279 L HA -0.027 4.314 4.340 0.001 0.000 0.211 1279 L C 2.621 179.393 176.870 -0.164 0.000 1.099 1279 L CA 1.536 56.220 54.840 -0.260 0.000 0.816 1279 L CB -0.773 41.109 42.059 -0.295 0.000 0.952 1279 L HN 0.562 nan 8.230 nan 0.000 0.455 1280 T N -4.051 110.416 114.554 -0.145 0.000 3.031 1280 T HA -0.007 4.344 4.350 0.001 0.000 0.254 1280 T C 1.132 175.800 174.700 -0.053 0.000 1.060 1280 T CA -0.006 62.041 62.100 -0.087 0.000 1.135 1280 T CB -0.263 68.562 68.868 -0.073 0.000 0.896 1280 T HN 0.021 nan 8.240 nan 0.000 0.472 1281 N N 2.063 120.739 118.700 -0.039 0.000 2.663 1281 N HA 0.195 4.936 4.740 0.001 0.000 0.250 1281 N C 0.844 176.338 175.510 -0.026 0.000 1.129 1281 N CA -0.098 52.947 53.050 -0.008 0.000 0.995 1281 N CB 0.661 39.190 38.487 0.069 0.000 1.324 1281 N HN 0.490 nan 8.380 nan 0.000 0.512 1282 Q N 1.520 121.303 119.800 -0.029 0.000 1.942 1282 Q HA -0.158 4.183 4.340 0.001 0.000 0.203 1282 Q C 1.158 177.139 176.000 -0.033 0.000 0.987 1282 Q CA 1.593 57.385 55.803 -0.018 0.000 0.844 1282 Q CB -0.064 28.670 28.738 -0.007 0.000 0.911 1282 Q HN 0.600 nan 8.270 nan 0.000 0.423 1283 E N 0.100 120.277 120.200 -0.039 0.000 2.200 1283 E HA -0.320 4.030 4.350 0.001 0.000 0.211 1283 E C 1.728 178.275 176.600 -0.090 0.000 1.048 1283 E CA 1.653 58.023 56.400 -0.049 0.000 0.851 1283 E CB -0.172 29.500 29.700 -0.046 0.000 0.747 1283 E HN 0.431 nan 8.360 nan 0.000 0.462 1284 A N -0.572 122.145 122.820 -0.172 0.000 2.016 1284 A HA -0.039 4.282 4.320 0.001 0.000 0.217 1284 A C 2.198 179.559 177.584 -0.371 0.000 1.162 1284 A CA 1.303 53.129 52.037 -0.352 0.000 0.662 1284 A CB 0.044 18.668 19.000 -0.626 0.000 0.812 1284 A HN 0.156 nan 8.150 nan 0.000 0.450 1285 S N -0.974 114.617 115.700 -0.182 0.000 2.421 1285 S HA -0.011 4.460 4.470 0.001 0.000 0.224 1285 S C 2.056 176.753 174.600 0.162 0.000 1.035 1285 S CA 0.624 58.877 58.200 0.088 0.000 0.953 1285 S CB -0.240 63.067 63.200 0.179 0.000 0.810 1285 S HN 0.619 nan 8.310 nan 0.000 0.497 1286 R N 1.624 122.168 120.500 0.074 0.000 2.083 1286 R HA -0.097 4.244 4.340 0.001 0.000 0.237 1286 R C 2.371 178.697 176.300 0.045 0.000 1.137 1286 R CA 1.450 57.590 56.100 0.068 0.000 0.951 1286 R CB -0.580 29.746 30.300 0.043 0.000 0.851 1286 R HN 0.373 nan 8.270 nan 0.000 0.434 1287 A N 0.593 123.423 122.820 0.017 0.000 1.892 1287 A HA -0.241 4.079 4.320 0.001 0.000 0.218 1287 A C 2.014 179.604 177.584 0.010 0.000 1.188 1287 A CA 1.668 53.703 52.037 -0.002 0.000 0.631 1287 A CB -0.870 18.116 19.000 -0.024 0.000 0.822 1287 A HN 0.566 nan 8.150 nan 0.000 0.447 1288 F N 0.157 120.060 119.950 -0.079 0.000 2.206 1288 F HA -0.069 4.459 4.527 0.001 0.000 0.298 1288 F C 2.192 177.939 175.800 -0.088 0.000 1.090 1288 F CA 1.568 59.517 58.000 -0.085 0.000 1.323 1288 F CB -0.255 38.734 39.000 -0.018 0.000 1.028 1288 F HN 0.026 nan 8.300 nan 0.000 0.492 1289 V N 1.596 121.503 119.914 -0.012 0.000 2.220 1289 V HA -0.318 3.802 4.120 0.001 0.000 0.246 1289 V C 2.425 178.410 176.094 -0.182 0.000 1.049 1289 V CA 2.469 64.706 62.300 -0.105 0.000 1.003 1289 V CB -0.756 31.074 31.823 0.013 0.000 0.634 1289 V HN 0.391 nan 8.190 nan 0.000 0.444 1290 E N -0.242 119.901 120.200 -0.095 0.000 2.097 1290 E HA -0.313 4.037 4.350 0.001 0.000 0.196 1290 E C 2.223 178.720 176.600 -0.171 0.000 1.000 1290 E CA 1.669 58.021 56.400 -0.080 0.000 0.804 1290 E CB -0.547 29.130 29.700 -0.038 0.000 0.740 1290 E HN 0.488 nan 8.360 nan 0.000 0.454 1291 M N 1.856 121.297 119.600 -0.266 0.000 2.082 1291 M HA -0.161 4.320 4.480 0.001 0.000 0.258 1291 M C 2.298 178.289 176.300 -0.516 0.000 1.069 1291 M CA 2.256 57.350 55.300 -0.343 0.000 1.102 1291 M CB -0.796 31.585 32.600 -0.364 0.000 1.336 1291 M HN 0.099 nan 8.290 nan 0.000 0.404 1292 A N 0.490 122.815 122.820 -0.824 0.000 1.873 1292 A HA -0.208 4.113 4.320 0.001 0.000 0.215 1292 A C 2.351 179.564 177.584 -0.619 0.000 1.186 1292 A CA 1.944 53.375 52.037 -1.011 0.000 0.616 1292 A CB -0.900 17.428 19.000 -1.121 0.000 0.823 1292 A HN 0.657 nan 8.150 nan 0.000 0.442 1293 R N -0.384 119.992 120.500 -0.207 0.000 2.119 1293 R HA -0.218 4.123 4.340 0.001 0.000 0.246 1293 R C 1.811 178.218 176.300 0.178 0.000 1.146 1293 R CA 1.970 58.182 56.100 0.186 0.000 0.962 1293 R CB -0.263 30.146 30.300 0.182 0.000 0.863 1293 R HN 0.503 nan 8.270 nan 0.000 0.442 1294 E N 0.053 120.253 120.200 -0.000 0.000 2.106 1294 E HA -0.124 4.227 4.350 0.001 0.000 0.192 1294 E C 1.862 178.448 176.600 -0.024 0.000 0.984 1294 E CA 1.198 57.599 56.400 0.002 0.000 0.806 1294 E CB -0.251 29.432 29.700 -0.029 0.000 0.750 1294 E HN 0.497 nan 8.360 nan 0.000 0.458 1295 A N 0.212 122.982 122.820 -0.083 0.000 2.015 1295 A HA -0.147 4.174 4.320 0.001 0.000 0.219 1295 A C 1.964 179.576 177.584 0.046 0.000 1.163 1295 A CA 0.934 52.959 52.037 -0.021 0.000 0.646 1295 A CB -0.707 18.349 19.000 0.095 0.000 0.806 1295 A HN 0.302 nan 8.150 nan 0.000 0.448 1296 Y N -0.924 119.492 120.300 0.193 0.000 2.243 1296 Y HA -0.115 4.435 4.550 0.001 0.000 0.293 1296 Y C 2.682 178.517 175.900 -0.108 0.000 1.124 1296 Y CA 1.085 59.322 58.100 0.229 0.000 1.159 1296 Y CB -0.111 38.652 38.460 0.504 0.000 1.008 1296 Y HN 0.280 nan 8.280 nan 0.000 0.527 1297 R N 1.211 121.623 120.500 -0.147 0.000 2.081 1297 R HA -0.162 4.179 4.340 0.001 0.000 0.235 1297 R C 2.163 178.307 176.300 -0.260 0.000 1.131 1297 R CA 1.363 57.193 56.100 -0.450 0.000 0.960 1297 R CB -0.208 29.954 30.300 -0.230 0.000 0.856 1297 R HN 0.272 nan 8.270 nan 0.000 0.436 1298 R N 0.079 120.506 120.500 -0.122 0.000 2.091 1298 R HA -0.112 4.229 4.340 0.001 0.000 0.238 1298 R C 2.506 178.736 176.300 -0.116 0.000 1.136 1298 R CA 1.937 57.980 56.100 -0.095 0.000 0.959 1298 R CB -0.224 30.048 30.300 -0.046 0.000 0.856 1298 R HN 0.294 nan 8.270 nan 0.000 0.437 1299 R N -0.060 120.388 120.500 -0.087 0.000 2.115 1299 R HA -0.087 4.254 4.340 0.001 0.000 0.230 1299 R C 2.383 178.502 176.300 -0.303 0.000 1.111 1299 R CA 1.075 57.123 56.100 -0.087 0.000 0.976 1299 R CB -0.246 30.113 30.300 0.098 0.000 0.870 1299 R HN 0.188 nan 8.270 nan 0.000 0.445 1300 R N 1.220 121.360 120.500 -0.600 0.000 2.075 1300 R HA -0.164 4.176 4.340 0.001 0.000 0.230 1300 R C 1.260 177.301 176.300 -0.431 0.000 1.140 1300 R CA 2.183 57.723 56.100 -0.933 0.000 0.928 1300 R CB -0.278 29.457 30.300 -0.942 0.000 0.834 1300 R HN 0.081 nan 8.270 nan 0.000 0.429 1301 D N 1.258 121.477 120.400 -0.301 0.000 2.149 1301 D HA -0.223 4.418 4.640 0.001 0.000 0.194 1301 D C 1.829 178.050 176.300 -0.131 0.000 1.001 1301 D CA 1.042 54.937 54.000 -0.174 0.000 0.849 1301 D CB -0.375 40.346 40.800 -0.132 0.000 0.939 1301 D HN 0.249 nan 8.370 nan 0.000 0.449 1302 L N 0.499 121.642 121.223 -0.133 0.000 2.083 1302 L HA -0.104 4.237 4.340 0.001 0.000 0.209 1302 L C 2.060 178.879 176.870 -0.086 0.000 1.083 1302 L CA 1.213 55.998 54.840 -0.093 0.000 0.752 1302 L CB -0.600 41.410 42.059 -0.082 0.000 0.899 1302 L HN 0.117 nan 8.230 nan 0.000 0.433 1303 L N -0.353 120.803 121.223 -0.112 0.000 1.993 1303 L HA -0.223 4.118 4.340 0.001 0.000 0.206 1303 L C 2.720 179.566 176.870 -0.040 0.000 1.074 1303 L CA 1.214 56.011 54.840 -0.070 0.000 0.746 1303 L CB -0.384 41.630 42.059 -0.075 0.000 0.896 1303 L HN 0.258 nan 8.230 nan 0.000 0.435 1304 L N -0.050 121.132 121.223 -0.067 0.000 2.197 1304 L HA -0.302 4.038 4.340 0.001 0.000 0.215 1304 L C 2.431 179.295 176.870 -0.011 0.000 1.095 1304 L CA 1.503 56.325 54.840 -0.029 0.000 0.764 1304 L CB -0.490 41.537 42.059 -0.054 0.000 0.897 1304 L HN 0.501 nan 8.230 nan 0.000 0.436 1305 E N 0.209 120.394 120.200 -0.025 0.000 2.011 1305 E HA -0.130 4.221 4.350 0.001 0.000 0.191 1305 E C 2.178 178.779 176.600 0.002 0.000 0.979 1305 E CA 0.893 57.284 56.400 -0.014 0.000 0.822 1305 E CB -0.371 29.314 29.700 -0.026 0.000 0.782 1305 E HN 0.269 nan 8.360 nan 0.000 0.459 1306 G N 2.059 110.856 108.800 -0.005 0.000 2.550 1306 G HA2 -0.284 3.677 3.960 0.001 0.000 0.222 1306 G HA3 -0.284 3.677 3.960 0.001 0.000 0.222 1306 G C 1.624 176.552 174.900 0.047 0.000 1.113 1306 G CA 0.959 46.065 45.100 0.009 0.000 0.748 1306 G HN 0.258 nan 8.290 nan 0.000 0.585 1307 L N -0.138 121.121 121.223 0.061 0.000 2.005 1307 L HA -0.078 4.263 4.340 0.001 0.000 0.207 1307 L C 3.095 180.007 176.870 0.072 0.000 1.072 1307 L CA 1.974 56.876 54.840 0.104 0.000 0.744 1307 L CB -0.938 41.185 42.059 0.108 0.000 0.895 1307 L HN 0.234 nan 8.230 nan 0.000 0.433 1308 T N -0.308 114.274 114.554 0.047 0.000 2.881 1308 T HA -0.109 4.242 4.350 0.001 0.000 0.270 1308 T C 1.659 176.377 174.700 0.030 0.000 1.068 1308 T CA 1.129 63.250 62.100 0.035 0.000 1.131 1308 T CB -0.000 68.883 68.868 0.025 0.000 0.871 1308 T HN 0.446 nan 8.240 nan 0.000 0.479 1309 A N 0.080 122.918 122.820 0.030 0.000 2.119 1309 A HA 0.185 4.506 4.320 0.001 0.000 0.217 1309 A C 1.669 179.272 177.584 0.032 0.000 1.153 1309 A CA 0.852 52.904 52.037 0.025 0.000 0.692 1309 A CB -0.165 18.846 19.000 0.018 0.000 0.799 1309 A HN 0.434 nan 8.150 nan 0.000 0.458 1310 L N -1.655 119.596 121.223 0.046 0.000 2.693 1310 L HA 0.341 4.682 4.340 0.001 0.000 0.235 1310 L C 1.598 178.490 176.870 0.037 0.000 1.127 1310 L CA 0.992 55.862 54.840 0.051 0.000 0.914 1310 L CB 0.139 42.249 42.059 0.085 0.000 1.193 1310 L HN 0.487 nan 8.230 nan 0.000 0.502 1311 G N -0.074 108.745 108.800 0.032 0.000 2.148 1311 G HA2 -0.286 3.675 3.960 0.001 0.000 0.254 1311 G HA3 -0.286 3.675 3.960 0.001 0.000 0.254 1311 G C 0.365 175.276 174.900 0.019 0.000 0.981 1311 G CA 0.040 45.153 45.100 0.021 0.000 0.670 1311 G HN 0.241 nan 8.290 nan 0.000 0.528 1312 L N 0.848 122.089 121.223 0.030 0.000 2.361 1312 L HA 0.287 4.627 4.340 0.001 0.000 0.278 1312 L C 1.091 177.980 176.870 0.031 0.000 1.113 1312 L CA -0.318 54.535 54.840 0.021 0.000 0.849 1312 L CB 0.806 42.887 42.059 0.037 0.000 1.155 1312 L HN 0.002 nan 8.230 nan 0.000 0.452 1313 K N 2.921 123.331 120.400 0.016 0.000 2.237 1313 K HA 0.711 5.031 4.320 0.001 0.000 0.270 1313 K C -0.593 176.045 176.600 0.063 0.000 1.015 1313 K CA -0.093 56.214 56.287 0.033 0.000 0.949 1313 K CB 1.523 34.031 32.500 0.013 0.000 0.976 1313 K HN 0.747 nan 8.250 nan 0.000 0.472 1314 A N 2.254 125.135 122.820 0.103 0.000 2.590 1314 A HA 0.327 4.648 4.320 0.001 0.000 0.296 1314 A C -1.317 176.369 177.584 0.169 0.000 1.050 1314 A CA -0.752 51.377 52.037 0.153 0.000 0.697 1314 A CB 0.897 19.975 19.000 0.131 0.000 1.277 1314 A HN 0.337 nan 8.150 nan 0.000 0.411 1315 V N 2.136 122.190 119.914 0.235 0.000 2.785 1315 V HA 0.429 4.549 4.120 0.001 0.000 0.300 1315 V C 0.978 177.185 176.094 0.187 0.000 1.062 1315 V CA -0.461 61.988 62.300 0.248 0.000 1.029 1315 V CB 1.497 33.599 31.823 0.465 0.000 1.024 1315 V HN 0.862 nan 8.190 nan 0.000 0.477 1316 R N 6.061 126.655 120.500 0.157 0.000 2.210 1316 R HA 0.296 4.637 4.340 0.001 0.000 0.338 1316 R C -2.396 173.997 176.300 0.154 0.000 1.062 1316 R CA -1.279 54.895 56.100 0.123 0.000 0.902 1316 R CB 0.936 31.288 30.300 0.087 0.000 1.050 1316 R HN 0.525 nan 8.270 nan 0.000 0.461 1317 P HA 0.143 nan 4.420 nan 0.000 0.279 1317 P C -0.674 176.770 177.300 0.240 0.000 1.239 1317 P CA -0.377 62.846 63.100 0.205 0.000 0.789 1317 P CB 1.746 33.602 31.700 0.259 0.000 0.933 1318 S N 0.432 116.268 115.700 0.227 0.000 2.578 1318 S HA 0.421 4.891 4.470 0.001 0.000 0.231 1318 S C 0.693 175.406 174.600 0.188 0.000 0.994 1318 S CA -0.104 58.245 58.200 0.248 0.000 0.956 1318 S CB 0.387 63.685 63.200 0.163 0.000 0.870 1318 S HN 0.830 nan 8.310 nan 0.000 0.494 1319 G N -0.063 108.819 108.800 0.136 0.000 2.649 1319 G HA2 0.691 4.652 3.960 0.001 0.000 0.290 1319 G HA3 0.691 4.652 3.960 0.001 0.000 0.290 1319 G C -0.369 174.455 174.900 -0.127 0.000 1.426 1319 G CA 0.051 45.066 45.100 -0.142 0.000 0.794 1319 G HN 0.647 nan 8.290 nan 0.000 0.483 1320 A N -1.024 121.571 122.820 -0.376 0.000 6.069 1320 A HA 0.185 4.506 4.320 0.001 0.000 0.278 1320 A C 0.251 177.492 177.584 -0.570 0.000 2.017 1320 A CA 1.926 53.533 52.037 -0.717 0.000 0.717 1320 A CB -1.469 16.918 19.000 -1.021 0.000 1.159 1320 A HN 2.337 nan 8.150 nan 0.000 0.378 1321 F N -3.293 116.161 119.950 -0.826 0.000 2.619 1321 F HA 0.700 5.228 4.527 0.001 0.000 0.382 1321 F C -0.549 174.263 175.800 -1.647 0.000 1.466 1321 F CA -1.027 56.153 58.000 -1.368 0.000 1.137 1321 F CB -0.798 37.405 39.000 -1.329 0.000 1.205 1321 F HN 0.489 nan 8.300 nan 0.000 0.525 1322 Y N -0.851 119.279 120.300 -0.282 0.000 2.536 1322 Y HA 0.783 5.334 4.550 0.001 0.000 0.347 1322 Y C -0.604 175.345 175.900 0.081 0.000 1.000 1322 Y CA -1.846 56.183 58.100 -0.118 0.000 1.051 1322 Y CB 2.476 40.846 38.460 -0.151 0.000 1.259 1322 Y HN -0.109 nan 8.280 nan 0.000 0.468 1323 V N 3.507 123.579 119.914 0.263 0.000 2.577 1323 V HA 0.324 4.445 4.120 0.001 0.000 0.303 1323 V C -0.773 175.388 176.094 0.112 0.000 1.042 1323 V CA -0.872 61.557 62.300 0.215 0.000 0.872 1323 V CB 2.132 34.107 31.823 0.253 0.000 0.998 1323 V HN 0.624 nan 8.190 nan 0.000 0.423 1324 L N 5.733 126.986 121.223 0.050 0.000 2.261 1324 L HA 0.521 4.862 4.340 0.001 0.000 0.289 1324 L C -0.085 176.890 176.870 0.174 0.000 1.059 1324 L CA 0.040 54.887 54.840 0.011 0.000 0.816 1324 L CB 0.995 42.950 42.059 -0.174 0.000 1.191 1324 L HN 0.637 nan 8.230 nan 0.000 0.431 1325 M N 5.436 125.131 119.600 0.158 0.000 2.036 1325 M HA 0.166 4.646 4.480 0.001 0.000 0.337 1325 M C -0.265 176.059 176.300 0.040 0.000 1.012 1325 M CA -0.651 54.726 55.300 0.128 0.000 0.962 1325 M CB 0.918 33.571 32.600 0.088 0.000 1.423 1325 M HN 0.476 nan 8.290 nan 0.000 0.405 1326 D N 3.940 124.292 120.400 -0.080 0.000 2.581 1326 D HA -0.096 4.545 4.640 0.001 0.000 0.238 1326 D C 0.640 176.832 176.300 -0.180 0.000 1.145 1326 D CA 0.766 54.541 54.000 -0.374 0.000 0.866 1326 D CB 1.002 41.577 40.800 -0.374 0.000 1.151 1326 D HN 0.789 nan 8.370 nan 0.000 0.500 1327 T N 0.368 114.830 114.554 -0.154 0.000 3.144 1327 T HA -0.020 4.331 4.350 0.001 0.000 0.249 1327 T C 1.799 176.445 174.700 -0.090 0.000 1.089 1327 T CA 0.367 62.401 62.100 -0.110 0.000 0.989 1327 T CB 0.143 68.962 68.868 -0.082 0.000 0.992 1327 T HN 0.273 nan 8.240 nan 0.000 0.540 1328 S N 2.846 118.489 115.700 -0.096 0.000 2.408 1328 S HA -0.129 4.341 4.470 0.001 0.000 0.241 1328 S C -0.601 173.968 174.600 -0.051 0.000 1.080 1328 S CA 2.057 60.217 58.200 -0.066 0.000 1.109 1328 S CB -1.090 62.069 63.200 -0.068 0.000 0.966 1328 S HN 0.528 nan 8.310 nan 0.000 0.449 1329 P HA 0.068 nan 4.420 nan 0.000 0.212 1329 P C 1.407 178.678 177.300 -0.049 0.000 1.180 1329 P CA 0.886 63.958 63.100 -0.046 0.000 0.902 1329 P CB -0.115 31.556 31.700 -0.047 0.000 0.778 1330 I N -1.426 119.101 120.570 -0.072 0.000 2.300 1330 I HA -0.171 4.000 4.170 0.001 0.000 0.252 1330 I C 1.125 177.213 176.117 -0.047 0.000 1.119 1330 I CA 1.437 62.693 61.300 -0.073 0.000 1.384 1330 I CB -0.732 37.196 38.000 -0.120 0.000 1.062 1330 I HN -0.014 nan 8.210 nan 0.000 0.426 1331 A N -1.800 120.995 122.820 -0.041 0.000 2.522 1331 A HA 0.427 4.748 4.320 0.001 0.000 0.291 1331 A C -2.162 175.411 177.584 -0.018 0.000 1.039 1331 A CA -0.735 51.288 52.037 -0.024 0.000 0.643 1331 A CB -0.105 18.885 19.000 -0.017 0.000 1.310 1331 A HN -0.179 nan 8.150 nan 0.000 0.436 1332 P HA -0.086 nan 4.420 nan 0.000 0.213 1332 P C 0.184 177.490 177.300 0.010 0.000 1.170 1332 P CA 2.054 65.152 63.100 -0.002 0.000 0.898 1332 P CB -0.452 31.248 31.700 0.000 0.000 0.787 1333 D N -0.836 119.578 120.400 0.022 0.000 2.506 1333 D HA 0.073 4.713 4.640 0.001 0.000 0.272 1333 D C 0.911 177.244 176.300 0.055 0.000 1.214 1333 D CA -0.434 53.596 54.000 0.051 0.000 1.067 1333 D CB 0.113 40.948 40.800 0.057 0.000 1.117 1333 D HN -0.053 nan 8.370 nan 0.000 0.578 1334 E N -0.747 119.509 120.200 0.093 0.000 2.216 1334 E HA 0.073 4.423 4.350 0.001 0.000 0.192 1334 E C 1.933 178.570 176.600 0.061 0.000 0.973 1334 E CA 0.202 56.650 56.400 0.079 0.000 0.851 1334 E CB -0.286 29.483 29.700 0.114 0.000 0.804 1334 E HN 0.256 nan 8.360 nan 0.000 0.477 1335 V N 1.161 121.119 119.914 0.073 0.000 2.216 1335 V HA -0.256 3.865 4.120 0.001 0.000 0.243 1335 V C 2.352 178.470 176.094 0.039 0.000 1.044 1335 V CA 1.911 64.247 62.300 0.060 0.000 0.995 1335 V CB -0.401 31.462 31.823 0.067 0.000 0.633 1335 V HN 0.096 nan 8.190 nan 0.000 0.446 1336 R N 0.473 120.992 120.500 0.031 0.000 2.103 1336 R HA -0.145 4.196 4.340 0.001 0.000 0.242 1336 R C 2.241 178.545 176.300 0.007 0.000 1.142 1336 R CA 1.842 57.953 56.100 0.018 0.000 0.960 1336 R CB -1.241 29.068 30.300 0.014 0.000 0.858 1336 R HN 0.539 nan 8.270 nan 0.000 0.439 1337 A N -0.106 122.713 122.820 -0.000 0.000 1.917 1337 A HA -0.177 4.143 4.320 0.001 0.000 0.219 1337 A C 2.323 179.891 177.584 -0.027 0.000 1.182 1337 A CA 2.115 54.136 52.037 -0.026 0.000 0.633 1337 A CB -1.028 17.951 19.000 -0.036 0.000 0.819 1337 A HN 0.449 nan 8.150 nan 0.000 0.448 1338 A N -0.745 122.073 122.820 -0.003 0.000 1.930 1338 A HA -0.100 4.221 4.320 0.001 0.000 0.217 1338 A C 1.901 179.496 177.584 0.017 0.000 1.175 1338 A CA 1.727 53.770 52.037 0.010 0.000 0.627 1338 A CB -0.413 18.605 19.000 0.030 0.000 0.815 1338 A HN 0.569 nan 8.150 nan 0.000 0.443 1339 E N -0.744 119.467 120.200 0.018 0.000 2.274 1339 E HA -0.066 4.285 4.350 0.001 0.000 0.194 1339 E C 2.311 178.920 176.600 0.016 0.000 0.996 1339 E CA 0.521 56.934 56.400 0.020 0.000 0.840 1339 E CB 0.017 29.730 29.700 0.021 0.000 0.772 1339 E HN 0.429 nan 8.360 nan 0.000 0.491 1340 R N -0.069 120.434 120.500 0.006 0.000 2.052 1340 R HA 0.007 4.347 4.340 0.001 0.000 0.226 1340 R C 2.362 178.667 176.300 0.007 0.000 1.145 1340 R CA 0.779 56.880 56.100 0.001 0.000 0.952 1340 R CB -0.507 29.784 30.300 -0.015 0.000 0.847 1340 R HN 0.222 nan 8.270 nan 0.000 0.431 1341 L N 1.184 122.404 121.223 -0.006 0.000 2.187 1341 L HA -0.179 4.162 4.340 0.001 0.000 0.213 1341 L C 2.528 179.435 176.870 0.062 0.000 1.100 1341 L CA 0.796 55.645 54.840 0.015 0.000 0.765 1341 L CB -0.304 41.734 42.059 -0.035 0.000 0.904 1341 L HN 0.249 nan 8.230 nan 0.000 0.437 1342 L N -0.285 120.966 121.223 0.047 0.000 2.156 1342 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1342 L C 2.416 179.315 176.870 0.048 0.000 1.095 1342 L CA 1.474 56.345 54.840 0.053 0.000 0.770 1342 L CB -0.243 41.842 42.059 0.043 0.000 0.914 1342 L HN 0.399 nan 8.230 nan 0.000 0.439 1343 E N 0.151 120.375 120.200 0.040 0.000 2.051 1343 E HA -0.209 4.142 4.350 0.001 0.000 0.192 1343 E C 2.080 178.706 176.600 0.044 0.000 0.991 1343 E CA 1.179 57.600 56.400 0.035 0.000 0.799 1343 E CB -0.183 29.534 29.700 0.028 0.000 0.748 1343 E HN 0.512 nan 8.360 nan 0.000 0.449 1344 A N 0.604 123.458 122.820 0.057 0.000 2.186 1344 A HA -0.025 4.296 4.320 0.001 0.000 0.219 1344 A C 1.711 179.341 177.584 0.077 0.000 1.159 1344 A CA 1.294 53.376 52.037 0.074 0.000 0.680 1344 A CB -0.645 18.421 19.000 0.110 0.000 0.787 1344 A HN 0.414 nan 8.150 nan 0.000 0.467 1345 G N -2.428 106.414 108.800 0.070 0.000 2.215 1345 G HA2 -0.002 3.959 3.960 0.001 0.000 0.198 1345 G HA3 -0.002 3.959 3.960 0.001 0.000 0.198 1345 G C -0.263 174.681 174.900 0.074 0.000 1.047 1345 G CA -0.114 45.021 45.100 0.058 0.000 0.747 1345 G HN 1.109 nan 8.290 nan 0.000 0.495 1346 V N -0.130 119.848 119.914 0.107 0.000 2.567 1346 V HA 0.783 4.904 4.120 0.001 0.000 0.298 1346 V C 0.419 176.587 176.094 0.124 0.000 1.047 1346 V CA -0.533 61.850 62.300 0.139 0.000 0.880 1346 V CB 1.610 33.604 31.823 0.286 0.000 1.009 1346 V HN 1.362 nan 8.190 nan 0.000 0.429 1347 A N 5.240 128.117 122.820 0.095 0.000 2.309 1347 A HA 0.827 5.148 4.320 0.001 0.000 0.290 1347 A C -0.170 177.472 177.584 0.098 0.000 1.206 1347 A CA -0.313 51.774 52.037 0.082 0.000 0.850 1347 A CB 0.571 19.608 19.000 0.063 0.000 1.118 1347 A HN 1.298 nan 8.150 nan 0.000 0.523 1348 V N 0.799 120.769 119.914 0.093 0.000 3.074 1348 V HA 0.742 4.863 4.120 0.001 0.000 0.314 1348 V C -0.265 175.876 176.094 0.079 0.000 1.117 1348 V CA -0.952 61.404 62.300 0.093 0.000 1.014 1348 V CB 1.606 33.483 31.823 0.088 0.000 1.057 1348 V HN 0.479 nan 8.190 nan 0.000 0.438 1349 V N 2.824 122.783 119.914 0.075 0.000 2.350 1349 V HA 0.402 4.523 4.120 0.001 0.000 0.276 1349 V C -2.315 173.822 176.094 0.072 0.000 1.028 1349 V CA -1.703 60.658 62.300 0.102 0.000 0.860 1349 V CB 1.278 33.192 31.823 0.153 0.000 0.990 1349 V HN 0.838 nan 8.190 nan 0.000 0.453 1350 P HA 0.128 nan 4.420 nan 0.000 0.268 1350 P C 0.864 178.237 177.300 0.122 0.000 1.204 1350 P CA 0.121 63.272 63.100 0.085 0.000 0.768 1350 P CB 0.726 32.481 31.700 0.091 0.000 0.842 1351 G N 1.822 110.645 108.800 0.038 0.000 3.279 1351 G HA2 -0.061 3.900 3.960 0.001 0.000 0.230 1351 G HA3 -0.061 3.900 3.960 0.001 0.000 0.230 1351 G C 0.979 175.865 174.900 -0.023 0.000 1.230 1351 G CA 0.077 45.188 45.100 0.017 0.000 0.891 1351 G HN 0.364 nan 8.290 nan 0.000 0.518 1352 T N 0.312 114.858 114.554 -0.012 0.000 2.777 1352 T HA -0.096 4.255 4.350 0.001 0.000 0.266 1352 T C 1.757 176.302 174.700 -0.258 0.000 1.040 1352 T CA 1.153 63.138 62.100 -0.191 0.000 1.141 1352 T CB -0.033 68.862 68.868 0.046 0.000 0.868 1352 T HN 0.267 nan 8.240 nan 0.000 0.444 1353 D N 0.225 120.589 120.400 -0.060 0.000 2.323 1353 D HA 0.055 4.696 4.640 0.001 0.000 0.209 1353 D C 1.028 177.228 176.300 -0.167 0.000 0.973 1353 D CA 0.561 54.484 54.000 -0.128 0.000 0.874 1353 D CB -0.015 40.671 40.800 -0.190 0.000 0.930 1353 D HN 0.397 nan 8.370 nan 0.000 0.521 1354 F N 0.524 120.362 119.950 -0.188 0.000 2.797 1354 F HA 0.278 4.806 4.527 0.001 0.000 0.302 1354 F C 1.515 176.975 175.800 -0.566 0.000 1.130 1354 F CA 0.135 58.000 58.000 -0.225 0.000 1.387 1354 F CB -0.042 38.839 39.000 -0.198 0.000 1.107 1354 F HN -0.141 nan 8.300 nan 0.000 0.577 1355 A N 0.294 122.862 122.820 -0.419 0.000 2.996 1355 A HA -0.027 4.293 4.320 0.001 0.000 0.257 1355 A C 0.796 178.117 177.584 -0.437 0.000 1.394 1355 A CA 0.571 52.269 52.037 -0.566 0.000 0.820 1355 A CB -2.042 16.591 19.000 -0.610 0.000 1.054 1355 A HN 0.687 nan 8.150 nan 0.000 0.619 1356 A N -0.156 122.423 122.820 -0.401 0.000 3.215 1356 A HA 0.661 4.982 4.320 0.001 0.000 0.320 1356 A C -0.003 177.516 177.584 -0.109 0.000 1.084 1356 A CA -0.462 51.425 52.037 -0.250 0.000 0.969 1356 A CB -0.394 18.426 19.000 -0.300 0.000 1.064 1356 A HN 0.795 nan 8.150 nan 0.000 0.513 1357 F N 0.203 120.208 119.950 0.091 0.000 2.545 1357 F HA 0.376 4.904 4.527 0.001 0.000 0.348 1357 F C 1.789 177.721 175.800 0.219 0.000 1.163 1357 F CA 1.836 59.912 58.000 0.126 0.000 1.331 1357 F CB 0.695 39.748 39.000 0.089 0.000 1.138 1357 F HN 0.652 nan 8.300 nan 0.000 0.602 1358 G N 0.545 109.554 108.800 0.350 0.000 2.550 1358 G HA2 -0.305 3.656 3.960 0.001 0.000 0.233 1358 G HA3 -0.305 3.656 3.960 0.001 0.000 0.233 1358 G C 0.136 175.083 174.900 0.078 0.000 1.170 1358 G CA 0.293 45.497 45.100 0.172 0.000 0.693 1358 G HN 0.731 nan 8.290 nan 0.000 0.512 1359 H N -0.584 118.518 119.070 0.052 0.000 2.509 1359 H HA 0.784 5.341 4.556 0.002 0.000 0.360 1359 H C 0.188 175.496 175.328 -0.033 0.000 1.398 1359 H CA 0.077 56.126 56.048 0.002 0.000 1.429 1359 H CB 1.380 31.130 29.762 -0.019 0.000 1.611 1359 H HN 0.495 nan 8.280 nan 0.000 0.606 1360 V N -0.069 119.900 119.914 0.092 0.000 2.971 1360 V HA 0.346 4.467 4.120 0.001 0.000 0.309 1360 V C -0.987 175.083 176.094 -0.040 0.000 1.130 1360 V CA -0.911 61.391 62.300 0.003 0.000 0.964 1360 V CB 2.068 33.887 31.823 -0.007 0.000 1.029 1360 V HN 0.705 nan 8.190 nan 0.000 0.427 1361 R N 4.938 125.362 120.500 -0.127 0.000 2.229 1361 R HA 0.684 5.025 4.340 0.001 0.000 0.332 1361 R C -1.613 174.681 176.300 -0.011 0.000 0.989 1361 R CA -0.501 55.498 56.100 -0.167 0.000 0.842 1361 R CB 1.038 31.044 30.300 -0.490 0.000 1.119 1361 R HN 0.584 nan 8.270 nan 0.000 0.456 1362 L N 1.188 122.458 121.223 0.078 0.000 2.342 1362 L HA 0.585 4.925 4.340 0.001 0.000 0.271 1362 L C -0.148 176.818 176.870 0.160 0.000 1.008 1362 L CA -0.693 54.230 54.840 0.138 0.000 0.818 1362 L CB 1.789 43.962 42.059 0.190 0.000 1.296 1362 L HN 0.340 nan 8.230 nan 0.000 0.427 1363 S N 0.526 116.290 115.700 0.106 0.000 2.451 1363 S HA 0.568 5.039 4.470 0.001 0.000 0.301 1363 S C -0.247 174.309 174.600 -0.074 0.000 1.116 1363 S CA -0.489 57.680 58.200 -0.052 0.000 1.093 1363 S CB 0.414 63.571 63.200 -0.071 0.000 1.017 1363 S HN 0.665 nan 8.310 nan 0.000 0.482 1364 Y N 2.759 123.001 120.300 -0.097 0.000 2.708 1364 Y HA 0.654 5.205 4.550 0.001 0.000 0.287 1364 Y C 1.055 176.873 175.900 -0.135 0.000 1.145 1364 Y CA -0.390 57.659 58.100 -0.085 0.000 1.249 1364 Y CB -0.556 37.885 38.460 -0.032 0.000 1.152 1364 Y HN 0.597 nan 8.280 nan 0.000 0.532 1365 A N -0.213 122.359 122.820 -0.414 0.000 2.218 1365 A HA 0.077 4.398 4.320 0.001 0.000 0.209 1365 A C 1.431 178.856 177.584 -0.264 0.000 1.168 1365 A CA 0.689 52.396 52.037 -0.551 0.000 0.804 1365 A CB -0.466 17.668 19.000 -1.443 0.000 0.834 1365 A HN 0.466 nan 8.150 nan 0.000 0.482 1366 T N -0.834 113.612 114.554 -0.180 0.000 2.793 1366 T HA 0.358 4.709 4.350 0.001 0.000 0.299 1366 T C 0.906 175.538 174.700 -0.114 0.000 1.038 1366 T CA 0.398 62.413 62.100 -0.141 0.000 0.948 1366 T CB 0.474 69.283 68.868 -0.099 0.000 1.231 1366 T HN 0.491 nan 8.240 nan 0.000 0.538 1367 S N -0.478 115.156 115.700 -0.109 0.000 2.572 1367 S HA 0.026 4.497 4.470 0.001 0.000 0.267 1367 S C 1.164 175.725 174.600 -0.065 0.000 1.361 1367 S CA 0.471 58.613 58.200 -0.098 0.000 1.009 1367 S CB 0.326 63.479 63.200 -0.079 0.000 0.888 1367 S HN 0.814 nan 8.310 nan 0.000 0.553 1368 E N 0.460 120.625 120.200 -0.058 0.000 2.102 1368 E HA -0.039 4.311 4.350 0.001 0.000 0.190 1368 E C 1.842 178.413 176.600 -0.049 0.000 0.971 1368 E CA 0.416 56.790 56.400 -0.043 0.000 0.821 1368 E CB -0.140 29.537 29.700 -0.037 0.000 0.777 1368 E HN 0.761 nan 8.360 nan 0.000 0.460 1369 E N 0.717 120.889 120.200 -0.047 0.000 2.171 1369 E HA -0.199 4.152 4.350 0.001 0.000 0.197 1369 E C 1.610 178.177 176.600 -0.055 0.000 0.997 1369 E CA 0.910 57.283 56.400 -0.046 0.000 0.810 1369 E CB -0.082 29.594 29.700 -0.039 0.000 0.738 1369 E HN 0.262 nan 8.360 nan 0.000 0.467 1370 N N 0.371 119.036 118.700 -0.059 0.000 2.290 1370 N HA -0.021 4.720 4.740 0.001 0.000 0.179 1370 N C 2.064 177.521 175.510 -0.088 0.000 1.016 1370 N CA 0.381 53.392 53.050 -0.066 0.000 0.871 1370 N CB -0.327 38.126 38.487 -0.058 0.000 0.987 1370 N HN 0.153 nan 8.380 nan 0.000 0.431 1371 L N 0.671 121.845 121.223 -0.081 0.000 2.079 1371 L HA -0.111 4.230 4.340 0.001 0.000 0.210 1371 L C 2.414 179.193 176.870 -0.152 0.000 1.081 1371 L CA 1.038 55.817 54.840 -0.102 0.000 0.752 1371 L CB -0.235 41.789 42.059 -0.060 0.000 0.896 1371 L HN 0.139 nan 8.230 nan 0.000 0.433 1372 R N 0.349 120.780 120.500 -0.114 0.000 2.062 1372 R HA -0.156 4.185 4.340 0.001 0.000 0.231 1372 R C 2.237 178.461 176.300 -0.126 0.000 1.136 1372 R CA 1.129 57.162 56.100 -0.112 0.000 0.948 1372 R CB -0.415 29.840 30.300 -0.074 0.000 0.845 1372 R HN 0.302 nan 8.270 nan 0.000 0.430 1373 K N 0.484 120.821 120.400 -0.105 0.000 2.211 1373 K HA -0.092 4.229 4.320 0.001 0.000 0.204 1373 K C 1.874 178.395 176.600 -0.132 0.000 1.047 1373 K CA 1.244 57.477 56.287 -0.091 0.000 0.935 1373 K CB 0.051 32.513 32.500 -0.063 0.000 0.728 1373 K HN 0.136 nan 8.250 nan 0.000 0.452 1374 A N 0.976 123.668 122.820 -0.214 0.000 1.855 1374 A HA -0.045 4.276 4.320 0.001 0.000 0.213 1374 A C 1.972 179.169 177.584 -0.645 0.000 1.195 1374 A CA 0.675 52.487 52.037 -0.374 0.000 0.610 1374 A CB -0.573 18.176 19.000 -0.418 0.000 0.837 1374 A HN 0.292 nan 8.150 nan 0.000 0.444 1375 L N 0.237 121.111 121.223 -0.580 0.000 2.263 1375 L HA -0.251 4.089 4.340 0.001 0.000 0.216 1375 L C 2.644 179.399 176.870 -0.192 0.000 1.111 1375 L CA 1.887 56.450 54.840 -0.461 0.000 0.773 1375 L CB -0.206 41.709 42.059 -0.240 0.000 0.906 1375 L HN 0.747 nan 8.230 nan 0.000 0.439 1376 E N -0.459 119.658 120.200 -0.138 0.000 2.122 1376 E HA -0.155 4.195 4.350 0.001 0.000 0.190 1376 E C 2.006 178.617 176.600 0.019 0.000 0.977 1376 E CA 0.170 56.547 56.400 -0.039 0.000 0.820 1376 E CB 0.095 29.772 29.700 -0.038 0.000 0.770 1376 E HN 0.381 nan 8.360 nan 0.000 0.462 1377 R N 0.354 120.868 120.500 0.023 0.000 2.092 1377 R HA -0.027 4.314 4.340 0.001 0.000 0.231 1377 R C 2.328 178.780 176.300 0.255 0.000 1.119 1377 R CA 0.983 57.153 56.100 0.116 0.000 0.970 1377 R CB -1.041 29.336 30.300 0.129 0.000 0.864 1377 R HN 0.328 nan 8.270 nan 0.000 0.440 1378 F N 1.636 121.591 119.950 0.008 0.000 2.126 1378 F HA -0.256 4.271 4.527 0.001 0.000 0.299 1378 F C 2.741 178.545 175.800 0.007 0.000 1.096 1378 F CA 0.494 58.499 58.000 0.009 0.000 1.255 1378 F CB -0.347 38.659 39.000 0.010 0.000 0.997 1378 F HN 0.106 nan 8.300 nan 0.000 0.479 1379 A N 1.388 124.337 122.820 0.215 0.000 1.852 1379 A HA -0.285 4.036 4.320 0.001 0.000 0.217 1379 A C 2.191 179.823 177.584 0.081 0.000 1.215 1379 A CA 2.374 54.479 52.037 0.113 0.000 0.641 1379 A CB -1.068 17.974 19.000 0.071 0.000 0.838 1379 A HN 0.358 nan 8.150 nan 0.000 0.450 1380 R N -0.884 119.660 120.500 0.072 0.000 2.132 1380 R HA -0.161 4.179 4.340 0.001 0.000 0.233 1380 R C 1.949 178.276 176.300 0.045 0.000 1.125 1380 R CA 1.672 57.802 56.100 0.051 0.000 0.914 1380 R CB -1.511 28.818 30.300 0.048 0.000 0.845 1380 R HN 0.305 nan 8.270 nan 0.000 0.431 1381 V N 1.943 121.890 119.914 0.055 0.000 2.363 1381 V HA -0.195 3.926 4.120 0.001 0.000 0.254 1381 V C 1.846 177.947 176.094 0.012 0.000 1.074 1381 V CA 1.399 63.717 62.300 0.031 0.000 1.069 1381 V CB -0.468 31.373 31.823 0.031 0.000 0.659 1381 V HN 0.189 nan 8.190 nan 0.000 0.455 1382 L N 0.000 121.238 121.223 0.024 0.000 2.949 1382 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1382 L CA 0.000 54.847 54.840 0.012 0.000 0.813 1382 L CB 0.000 42.080 42.059 0.034 0.000 0.961 1382 L HN 0.000 nan 8.230 nan 0.000 0.502