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 1irk_1_A DATA FIRST_RESID 981 DATA SEQUENCE SSVFVPDEWE VSREKITLLR ELGQGSFGMV YEGNARDIIK GEAETRVAVK DATA SEQUENCE TVNESASLRE RIEFLNEASV MKGFTCHHVV RLLGVVSKGQ PTLVVMELMA DATA SEQUENCE HGDLKSYLRS LRPEAENNPG RPPPTLQEMI QMAAEIADGM AYLNAKKFVH DATA SEQUENCE RDLAARNCMV AHDFTVKIGD FGMTRDIYET DYYRKGGKGL LPVRWMAPES DATA SEQUENCE LKDGVFTTSS DMWSFGVVLW EITSLAEQPY QGLSNEQVLK FVMDGGYLDQ DATA SEQUENCE PDNCPERVTD LMRMCWQFNP KMRPTFLEIV NLLKDDLHPS FPEVSFFHSE DATA SEQUENCE ENK 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 981 S HA 0.000 nan 4.470 nan 0.000 0.327 981 S C 0.000 174.588 174.600 -0.020 0.000 1.055 981 S CA 0.000 58.194 58.200 -0.010 0.000 1.107 981 S CB 0.000 63.193 63.200 -0.011 0.000 0.593 982 S N 2.646 118.333 115.700 -0.022 0.000 2.466 982 S HA 0.263 4.733 4.470 0.000 0.000 0.286 982 S C 0.552 175.127 174.600 -0.043 0.000 1.221 982 S CA -0.413 57.767 58.200 -0.033 0.000 1.091 982 S CB 0.023 63.206 63.200 -0.027 0.000 0.956 982 S HN 0.757 nan 8.310 nan 0.000 0.501 983 V N 0.584 120.461 119.914 -0.060 0.000 2.357 983 V HA 0.891 5.011 4.120 0.000 0.000 0.284 983 V C 0.022 176.063 176.094 -0.089 0.000 1.018 983 V CA -1.045 61.212 62.300 -0.071 0.000 0.841 983 V CB 0.148 31.923 31.823 -0.080 0.000 0.991 983 V HN 0.647 nan 8.190 nan 0.000 0.437 984 F N 4.050 123.955 119.950 -0.075 0.000 2.399 984 F HA 0.852 5.379 4.527 0.000 0.000 0.328 984 F C 0.622 176.368 175.800 -0.090 0.000 1.084 984 F CA -0.589 57.364 58.000 -0.077 0.000 1.053 984 F CB 1.320 40.292 39.000 -0.046 0.000 1.209 984 F HN 1.057 nan 8.300 nan 0.000 0.502 985 V N 0.185 120.040 119.914 -0.098 0.000 3.237 985 V HA 0.486 4.606 4.120 0.000 0.000 0.305 985 V C -2.391 173.706 176.094 0.004 0.000 1.096 985 V CA -1.608 60.623 62.300 -0.114 0.000 1.130 985 V CB 0.212 31.960 31.823 -0.125 0.000 1.048 985 V HN 0.783 nan 8.190 nan 0.000 0.484 986 P HA 0.196 nan 4.420 nan 0.000 0.269 986 P C 0.091 177.500 177.300 0.183 0.000 1.215 986 P CA -0.074 63.113 63.100 0.144 0.000 0.780 986 P CB 0.357 32.204 31.700 0.244 0.000 0.898 987 D N 1.310 121.774 120.400 0.108 0.000 2.191 987 D HA -0.228 4.412 4.640 0.000 0.000 0.195 987 D C 2.073 178.417 176.300 0.074 0.000 1.003 987 D CA 2.223 56.267 54.000 0.073 0.000 0.867 987 D CB -0.758 40.065 40.800 0.039 0.000 0.926 987 D HN 0.619 nan 8.370 nan 0.000 0.450 988 E N 0.077 120.326 120.200 0.082 0.000 2.209 988 E HA -0.173 4.177 4.350 0.000 0.000 0.196 988 E C 1.720 178.262 176.600 -0.097 0.000 0.993 988 E CA 0.919 57.294 56.400 -0.041 0.000 0.819 988 E CB -1.195 28.433 29.700 -0.120 0.000 0.745 988 E HN 0.473 nan 8.360 nan 0.000 0.477 989 W N 0.183 121.464 121.300 -0.032 0.000 3.290 989 W HA 0.294 4.954 4.660 0.000 0.000 0.287 989 W C 0.473 176.969 176.519 -0.039 0.000 1.288 989 W CA 0.121 57.443 57.345 -0.037 0.000 1.725 989 W CB 0.513 29.945 29.460 -0.046 0.000 1.103 989 W HN 0.273 nan 8.180 nan 0.000 0.670 990 E N 1.063 121.343 120.200 0.133 0.000 2.259 990 E HA 0.278 4.628 4.350 0.000 0.000 0.281 990 E C -0.753 175.865 176.600 0.030 0.000 1.027 990 E CA 0.085 56.527 56.400 0.071 0.000 0.838 990 E CB 1.244 30.971 29.700 0.046 0.000 1.066 990 E HN -0.279 nan 8.360 nan 0.000 0.401 991 V N 4.064 123.992 119.914 0.023 0.000 2.459 991 V HA 0.304 4.424 4.120 0.000 0.000 0.295 991 V C -0.162 175.932 176.094 -0.000 0.000 1.029 991 V CA -0.928 61.374 62.300 0.004 0.000 0.874 991 V CB 1.871 33.698 31.823 0.006 0.000 0.985 991 V HN 0.751 nan 8.190 nan 0.000 0.438 992 S N 3.675 119.370 115.700 -0.008 0.000 2.537 992 S HA 0.103 4.573 4.470 0.000 0.000 0.286 992 S C 1.309 175.903 174.600 -0.011 0.000 1.299 992 S CA -0.228 57.966 58.200 -0.010 0.000 1.067 992 S CB 0.469 63.661 63.200 -0.014 0.000 0.864 992 S HN 0.779 nan 8.310 nan 0.000 0.494 993 R N 2.473 122.967 120.500 -0.010 0.000 2.117 993 R HA -0.216 4.124 4.340 0.000 0.000 0.243 993 R C 1.801 178.089 176.300 -0.020 0.000 1.143 993 R CA 2.153 58.245 56.100 -0.014 0.000 0.968 993 R CB -0.237 30.054 30.300 -0.014 0.000 0.863 993 R HN 0.829 nan 8.270 nan 0.000 0.444 994 E N 0.240 120.429 120.200 -0.019 0.000 2.401 994 E HA -0.165 4.185 4.350 0.000 0.000 0.199 994 E C 1.154 177.741 176.600 -0.022 0.000 1.023 994 E CA 1.254 57.641 56.400 -0.021 0.000 0.859 994 E CB -0.058 29.631 29.700 -0.019 0.000 0.780 994 E HN 0.331 nan 8.360 nan 0.000 0.523 995 K N 0.168 120.556 120.400 -0.021 0.000 2.426 995 K HA 0.116 4.437 4.320 0.000 0.000 0.193 995 K C -0.063 176.524 176.600 -0.022 0.000 1.028 995 K CA 0.100 56.374 56.287 -0.022 0.000 1.047 995 K CB 0.381 32.868 32.500 -0.022 0.000 0.821 995 K HN 0.178 nan 8.250 nan 0.000 0.513 996 I N 1.304 121.860 120.570 -0.023 0.000 2.377 996 I HA 0.173 4.343 4.170 0.000 0.000 0.293 996 I C -0.175 175.919 176.117 -0.037 0.000 0.987 996 I CA -0.229 61.055 61.300 -0.026 0.000 1.185 996 I CB 1.690 39.676 38.000 -0.022 0.000 1.341 996 I HN -0.217 nan 8.210 nan 0.000 0.455 997 T N 7.013 121.544 114.554 -0.038 0.000 2.847 997 T HA 0.525 4.875 4.350 0.000 0.000 0.291 997 T C 0.001 174.667 174.700 -0.056 0.000 0.998 997 T CA -0.456 61.616 62.100 -0.048 0.000 0.967 997 T CB 1.241 70.089 68.868 -0.034 0.000 0.954 997 T HN 0.246 nan 8.240 nan 0.000 0.441 998 L N 4.342 125.505 121.223 -0.100 0.000 2.349 998 L HA 0.420 4.760 4.340 0.000 0.000 0.275 998 L C 0.886 177.717 176.870 -0.066 0.000 1.115 998 L CA -0.393 54.371 54.840 -0.126 0.000 0.820 998 L CB 0.894 42.740 42.059 -0.354 0.000 1.135 998 L HN 0.618 nan 8.230 nan 0.000 0.445 999 L N 2.859 124.084 121.223 0.003 0.000 2.433 999 L HA 0.269 4.609 4.340 0.000 0.000 0.200 999 L C 0.508 177.415 176.870 0.061 0.000 1.059 999 L CA 0.182 55.036 54.840 0.024 0.000 0.835 999 L CB 0.216 42.291 42.059 0.026 0.000 1.076 999 L HN 0.683 nan 8.230 nan 0.000 0.481 1000 R N 0.263 120.835 120.500 0.121 0.000 2.690 1000 R HA 0.312 4.652 4.340 0.000 0.000 0.269 1000 R C -1.520 174.893 176.300 0.187 0.000 1.037 1000 R CA -0.832 55.351 56.100 0.137 0.000 0.877 1000 R CB 1.059 31.404 30.300 0.074 0.000 1.255 1000 R HN -0.004 nan 8.270 nan 0.000 0.467 1001 E N 2.319 122.587 120.200 0.112 0.000 2.313 1001 E HA 0.177 4.527 4.350 0.000 0.000 0.276 1001 E C -0.108 176.438 176.600 -0.090 0.000 1.031 1001 E CA -0.760 55.579 56.400 -0.102 0.000 0.857 1001 E CB 1.380 30.928 29.700 -0.254 0.000 1.040 1001 E HN 0.582 nan 8.360 nan 0.000 0.408 1002 L N 2.103 123.236 121.223 -0.150 0.000 2.298 1002 L HA 0.280 4.620 4.340 0.000 0.000 0.209 1002 L C 1.051 177.901 176.870 -0.033 0.000 1.084 1002 L CA 0.924 55.730 54.840 -0.057 0.000 0.816 1002 L CB -0.002 42.004 42.059 -0.089 0.000 0.967 1002 L HN 0.930 nan 8.230 nan 0.000 0.460 1003 G N -0.923 107.803 108.800 -0.124 0.000 2.369 1003 G HA2 0.037 3.997 3.960 0.000 0.000 0.293 1003 G HA3 0.037 3.997 3.960 0.000 0.000 0.293 1003 G C -1.789 173.057 174.900 -0.091 0.000 1.301 1003 G CA -0.778 44.285 45.100 -0.062 0.000 0.913 1003 G HN -0.150 nan 8.290 nan 0.000 0.540 1004 Q N -0.294 119.485 119.800 -0.035 0.000 2.327 1004 Q HA 0.608 4.948 4.340 0.000 0.000 0.254 1004 Q C 0.674 176.695 176.000 0.035 0.000 0.952 1004 Q CA 1.040 56.823 55.803 -0.032 0.000 0.884 1004 Q CB 1.142 29.863 28.738 -0.030 0.000 1.224 1004 Q HN 1.125 nan 8.270 nan 0.000 0.422 1005 G N 0.221 109.039 108.800 0.030 0.000 3.016 1005 G HA2 0.367 4.327 3.960 0.000 0.000 0.270 1005 G HA3 0.367 4.327 3.960 0.000 0.000 0.270 1005 G C 0.344 175.281 174.900 0.063 0.000 1.352 1005 G CA -0.099 45.066 45.100 0.109 0.000 1.060 1005 G HN 0.712 nan 8.290 nan 0.000 0.538 1006 S N -0.769 114.982 115.700 0.085 0.000 2.355 1006 S HA -0.072 4.398 4.470 0.000 0.000 0.222 1006 S C 1.768 176.264 174.600 -0.174 0.000 1.031 1006 S CA 1.254 59.411 58.200 -0.073 0.000 0.993 1006 S CB -0.389 62.738 63.200 -0.122 0.000 0.859 1006 S HN 0.335 nan 8.310 nan 0.000 0.453 1007 F N 2.270 122.231 119.950 0.018 0.000 2.754 1007 F HA 0.484 5.011 4.527 0.000 0.000 0.297 1007 F C 1.589 177.273 175.800 -0.194 0.000 1.122 1007 F CA 0.358 58.302 58.000 -0.093 0.000 1.400 1007 F CB 0.331 39.231 39.000 -0.167 0.000 1.117 1007 F HN 0.563 nan 8.300 nan 0.000 0.587 1008 G N -0.560 108.243 108.800 0.005 0.000 2.344 1008 G HA2 0.250 4.210 3.960 0.000 0.000 0.282 1008 G HA3 0.250 4.210 3.960 0.000 0.000 0.282 1008 G C -1.468 173.383 174.900 -0.083 0.000 1.281 1008 G CA -1.066 43.995 45.100 -0.065 0.000 0.877 1008 G HN -0.158 nan 8.290 nan 0.000 0.494 1009 M N 0.372 119.895 119.600 -0.127 0.000 2.245 1009 M HA 0.596 5.076 4.480 0.000 0.000 0.330 1009 M C -0.147 175.949 176.300 -0.341 0.000 1.098 1009 M CA -0.129 55.010 55.300 -0.268 0.000 1.172 1009 M CB 1.068 33.426 32.600 -0.404 0.000 1.467 1009 M HN 0.518 nan 8.290 nan 0.000 0.454 1010 V N 5.490 125.127 119.914 -0.461 0.000 2.555 1010 V HA 0.502 4.622 4.120 0.000 0.000 0.302 1010 V C -1.184 174.563 176.094 -0.579 0.000 1.038 1010 V CA -0.614 61.421 62.300 -0.442 0.000 0.887 1010 V CB 1.478 32.955 31.823 -0.578 0.000 0.991 1010 V HN 0.782 nan 8.190 nan 0.000 0.434 1011 Y N 1.196 121.394 120.300 -0.170 0.000 2.562 1011 Y HA 0.549 5.099 4.550 0.000 0.000 0.343 1011 Y C 0.227 176.061 175.900 -0.111 0.000 1.025 1011 Y CA -0.889 57.145 58.100 -0.110 0.000 1.082 1011 Y CB 1.626 40.047 38.460 -0.065 0.000 1.264 1011 Y HN 0.639 nan 8.280 nan 0.000 0.478 1012 E N 0.600 120.860 120.200 0.101 0.000 2.266 1012 E HA 0.654 5.004 4.350 0.000 0.000 0.277 1012 E C -0.443 176.201 176.600 0.073 0.000 1.018 1012 E CA -0.375 56.060 56.400 0.058 0.000 0.840 1012 E CB 1.098 30.830 29.700 0.052 0.000 1.082 1012 E HN 0.877 nan 8.360 nan 0.000 0.395 1013 G N 2.600 111.425 108.800 0.041 0.000 2.706 1013 G HA2 0.316 4.277 3.960 0.000 0.000 0.307 1013 G HA3 0.316 4.277 3.960 0.000 0.000 0.307 1013 G C -1.440 173.464 174.900 0.007 0.000 1.307 1013 G CA -0.882 44.230 45.100 0.020 0.000 0.790 1013 G HN 0.633 nan 8.290 nan 0.000 0.503 1014 N N -0.637 118.060 118.700 -0.005 0.000 2.258 1014 N HA 0.628 5.368 4.740 0.000 0.000 0.299 1014 N C -0.768 174.734 175.510 -0.014 0.000 1.047 1014 N CA -0.511 52.532 53.050 -0.010 0.000 0.814 1014 N CB 2.416 40.894 38.487 -0.014 0.000 1.413 1014 N HN 0.741 nan 8.380 nan 0.000 0.478 1015 A N 2.055 124.866 122.820 -0.015 0.000 2.343 1015 A HA 0.538 4.858 4.320 0.000 0.000 0.308 1015 A C -0.476 177.094 177.584 -0.023 0.000 1.092 1015 A CA -0.623 51.404 52.037 -0.017 0.000 0.751 1015 A CB 0.796 19.788 19.000 -0.013 0.000 1.203 1015 A HN 0.655 nan 8.150 nan 0.000 0.452 1016 R N 2.206 122.691 120.500 -0.025 0.000 2.349 1016 R HA 0.396 4.736 4.340 0.000 0.000 0.299 1016 R C -0.728 175.553 176.300 -0.032 0.000 1.027 1016 R CA -0.435 55.648 56.100 -0.027 0.000 0.958 1016 R CB 0.552 30.837 30.300 -0.025 0.000 1.047 1016 R HN 0.787 nan 8.270 nan 0.000 0.468 1017 D N 1.991 122.370 120.400 -0.035 0.000 2.686 1017 D HA -0.244 4.396 4.640 0.000 0.000 0.235 1017 D C 0.352 176.621 176.300 -0.051 0.000 1.160 1017 D CA 0.838 54.813 54.000 -0.042 0.000 0.645 1017 D CB -0.706 40.070 40.800 -0.039 0.000 1.039 1017 D HN 0.612 nan 8.370 nan 0.000 0.423 1018 I N -0.873 119.666 120.570 -0.052 0.000 3.708 1018 I HA 0.099 4.270 4.170 0.000 0.000 0.302 1018 I C 0.558 176.627 176.117 -0.081 0.000 1.255 1018 I CA 0.304 61.566 61.300 -0.064 0.000 1.362 1018 I CB 0.551 38.523 38.000 -0.046 0.000 1.100 1018 I HN -0.024 nan 8.210 nan 0.000 0.434 1019 I N 1.689 122.219 120.570 -0.067 0.000 2.465 1019 I HA 0.225 4.395 4.170 0.000 0.000 0.291 1019 I C -0.241 175.838 176.117 -0.063 0.000 1.014 1019 I CA -0.846 60.413 61.300 -0.069 0.000 1.093 1019 I CB 1.769 39.737 38.000 -0.053 0.000 1.267 1019 I HN -0.100 nan 8.210 nan 0.000 0.431 1020 K N 3.787 124.146 120.400 -0.068 0.000 2.489 1020 K HA 0.167 4.487 4.320 0.000 0.000 0.278 1020 K C 1.038 177.611 176.600 -0.045 0.000 1.000 1020 K CA 0.998 57.251 56.287 -0.057 0.000 1.012 1020 K CB 0.321 32.786 32.500 -0.058 0.000 0.903 1020 K HN 1.008 nan 8.250 nan 0.000 0.485 1021 G N 2.143 110.919 108.800 -0.040 0.000 2.179 1021 G HA2 -0.280 3.680 3.960 0.000 0.000 0.260 1021 G HA3 -0.280 3.680 3.960 0.000 0.000 0.260 1021 G C -0.188 174.691 174.900 -0.035 0.000 0.977 1021 G CA 0.034 45.113 45.100 -0.034 0.000 0.641 1021 G HN 0.631 nan 8.290 nan 0.000 0.533 1022 E N -0.184 119.992 120.200 -0.039 0.000 2.191 1022 E HA 0.622 4.972 4.350 0.000 0.000 0.263 1022 E C 1.104 177.681 176.600 -0.038 0.000 0.881 1022 E CA -0.094 56.282 56.400 -0.040 0.000 0.757 1022 E CB 1.477 31.149 29.700 -0.046 0.000 1.147 1022 E HN 0.337 nan 8.360 nan 0.000 0.414 1023 A N 3.946 126.746 122.820 -0.033 0.000 1.898 1023 A HA -0.104 4.216 4.320 0.000 0.000 0.216 1023 A C 0.593 178.158 177.584 -0.031 0.000 1.181 1023 A CA 1.280 53.299 52.037 -0.030 0.000 0.620 1023 A CB 0.151 19.135 19.000 -0.026 0.000 0.819 1023 A HN 0.604 nan 8.150 nan 0.000 0.442 1024 E N -1.666 118.515 120.200 -0.032 0.000 2.340 1024 E HA 0.540 4.890 4.350 0.000 0.000 0.273 1024 E C -1.602 174.977 176.600 -0.036 0.000 0.891 1024 E CA -0.591 55.790 56.400 -0.031 0.000 0.757 1024 E CB 2.209 31.893 29.700 -0.027 0.000 1.231 1024 E HN 0.098 nan 8.360 nan 0.000 0.439 1025 T N 1.625 116.159 114.554 -0.032 0.000 2.921 1025 T HA 0.361 4.711 4.350 0.000 0.000 0.297 1025 T C -0.561 174.125 174.700 -0.024 0.000 1.013 1025 T CA -0.912 61.167 62.100 -0.035 0.000 0.990 1025 T CB 1.111 69.959 68.868 -0.034 0.000 1.023 1025 T HN 0.255 nan 8.240 nan 0.000 0.447 1026 R N 1.513 121.998 120.500 -0.026 0.000 2.491 1026 R HA 0.581 4.921 4.340 0.000 0.000 0.283 1026 R C 0.212 176.512 176.300 0.001 0.000 1.072 1026 R CA -0.448 55.645 56.100 -0.012 0.000 1.048 1026 R CB 0.324 30.614 30.300 -0.018 0.000 0.983 1026 R HN 0.544 nan 8.270 nan 0.000 0.450 1027 V N -1.472 118.451 119.914 0.014 0.000 3.181 1027 V HA 0.912 5.032 4.120 0.000 0.000 0.308 1027 V C -0.813 175.301 176.094 0.035 0.000 1.214 1027 V CA -1.424 60.894 62.300 0.029 0.000 1.053 1027 V CB 2.143 33.980 31.823 0.024 0.000 1.069 1027 V HN 0.773 nan 8.190 nan 0.000 0.441 1028 A N 1.123 123.966 122.820 0.039 0.000 2.304 1028 A HA 0.863 5.184 4.320 0.000 0.000 0.323 1028 A C -0.659 176.912 177.584 -0.022 0.000 1.195 1028 A CA -0.647 51.372 52.037 -0.029 0.000 0.826 1028 A CB 1.270 20.253 19.000 -0.029 0.000 1.184 1028 A HN 1.418 nan 8.150 nan 0.000 0.496 1029 V N 3.596 123.504 119.914 -0.010 0.000 2.409 1029 V HA 0.337 4.457 4.120 0.000 0.000 0.291 1029 V C -0.065 176.086 176.094 0.096 0.000 1.020 1029 V CA -0.709 61.631 62.300 0.067 0.000 0.848 1029 V CB 1.378 33.261 31.823 0.100 0.000 0.990 1029 V HN 0.903 nan 8.190 nan 0.000 0.430 1030 K N 2.880 123.359 120.400 0.133 0.000 2.110 1030 K HA 0.776 5.096 4.320 0.000 0.000 0.263 1030 K C -0.012 176.786 176.600 0.331 0.000 0.975 1030 K CA -0.486 55.925 56.287 0.207 0.000 0.895 1030 K CB 2.006 34.704 32.500 0.330 0.000 1.060 1030 K HN 0.878 nan 8.250 nan 0.000 0.448 1031 T N -2.544 112.072 114.554 0.105 0.000 2.883 1031 T HA 0.372 4.722 4.350 0.000 0.000 0.296 1031 T C -0.836 173.492 174.700 -0.620 0.000 1.117 1031 T CA -0.883 61.130 62.100 -0.146 0.000 1.006 1031 T CB 1.509 70.406 68.868 0.048 0.000 1.191 1031 T HN 0.290 nan 8.240 nan 0.000 0.508 1032 V N 1.634 121.080 119.914 -0.780 0.000 2.539 1032 V HA 0.438 4.559 4.120 0.000 0.000 0.292 1032 V C -0.151 175.807 176.094 -0.226 0.000 1.045 1032 V CA -0.942 60.988 62.300 -0.617 0.000 0.945 1032 V CB 1.127 32.558 31.823 -0.654 0.000 0.993 1032 V HN 0.943 nan 8.190 nan 0.000 0.464 1033 N N 3.849 122.479 118.700 -0.117 0.000 2.395 1033 N HA 0.000 4.741 4.740 0.000 0.000 0.246 1033 N C 1.146 176.631 175.510 -0.042 0.000 1.246 1033 N CA 0.631 53.647 53.050 -0.057 0.000 0.879 1033 N CB 0.723 39.190 38.487 -0.034 0.000 1.098 1033 N HN 0.859 nan 8.380 nan 0.000 0.444 1034 E N -0.632 119.553 120.200 -0.026 0.000 2.409 1034 E HA -0.120 4.230 4.350 0.000 0.000 0.198 1034 E C 0.714 177.308 176.600 -0.010 0.000 1.024 1034 E CA 0.758 57.148 56.400 -0.017 0.000 0.861 1034 E CB -0.056 29.639 29.700 -0.009 0.000 0.788 1034 E HN 0.529 nan 8.360 nan 0.000 0.521 1035 S N 0.303 115.998 115.700 -0.009 0.000 2.575 1035 S HA 0.342 4.812 4.470 0.000 0.000 0.215 1035 S C 1.004 175.606 174.600 0.003 0.000 0.966 1035 S CA -0.160 58.038 58.200 -0.004 0.000 0.911 1035 S CB 0.251 63.448 63.200 -0.006 0.000 0.780 1035 S HN 0.392 nan 8.310 nan 0.000 0.514 1036 A N 2.665 125.489 122.820 0.006 0.000 2.462 1036 A HA 0.558 4.878 4.320 0.000 0.000 0.243 1036 A C 0.848 178.449 177.584 0.027 0.000 1.076 1036 A CA -0.104 51.949 52.037 0.028 0.000 0.773 1036 A CB 0.020 19.046 19.000 0.044 0.000 1.010 1036 A HN 0.697 nan 8.150 nan 0.000 0.493 1037 S N 1.717 117.440 115.700 0.038 0.000 2.617 1037 S HA 0.212 4.682 4.470 0.000 0.000 0.259 1037 S C 1.116 175.739 174.600 0.038 0.000 1.301 1037 S CA 0.122 58.342 58.200 0.033 0.000 0.984 1037 S CB 0.294 63.515 63.200 0.035 0.000 0.954 1037 S HN 1.275 nan 8.310 nan 0.000 0.572 1038 L N 0.713 121.954 121.223 0.030 0.000 2.046 1038 L HA -0.016 4.324 4.340 0.000 0.000 0.208 1038 L C 2.722 179.615 176.870 0.039 0.000 1.077 1038 L CA 1.787 56.644 54.840 0.028 0.000 0.747 1038 L CB -0.975 41.096 42.059 0.019 0.000 0.896 1038 L HN 0.859 nan 8.230 nan 0.000 0.432 1039 R N 0.286 120.813 120.500 0.044 0.000 2.096 1039 R HA -0.220 4.120 4.340 0.000 0.000 0.240 1039 R C 2.107 178.463 176.300 0.092 0.000 1.139 1039 R CA 2.316 58.450 56.100 0.056 0.000 0.952 1039 R CB -0.457 29.874 30.300 0.052 0.000 0.854 1039 R HN 0.608 nan 8.270 nan 0.000 0.436 1040 E N -0.382 119.889 120.200 0.119 0.000 2.150 1040 E HA -0.143 4.207 4.350 0.000 0.000 0.193 1040 E C 2.271 178.973 176.600 0.169 0.000 0.985 1040 E CA 0.932 57.464 56.400 0.221 0.000 0.814 1040 E CB -0.005 29.826 29.700 0.219 0.000 0.752 1040 E HN 0.362 nan 8.360 nan 0.000 0.466 1041 R N 0.280 120.829 120.500 0.083 0.000 2.092 1041 R HA -0.047 4.293 4.340 0.000 0.000 0.231 1041 R C 2.334 178.657 176.300 0.039 0.000 1.119 1041 R CA 0.937 57.065 56.100 0.046 0.000 0.970 1041 R CB -0.205 30.114 30.300 0.032 0.000 0.864 1041 R HN 0.201 nan 8.270 nan 0.000 0.440 1042 I N 0.890 121.477 120.570 0.028 0.000 2.252 1042 I HA -0.223 3.947 4.170 0.000 0.000 0.245 1042 I C 2.043 178.145 176.117 -0.025 0.000 1.102 1042 I CA 1.368 62.668 61.300 0.001 0.000 1.385 1042 I CB -0.251 37.755 38.000 0.010 0.000 1.064 1042 I HN 0.186 nan 8.210 nan 0.000 0.414 1043 E N 0.443 120.657 120.200 0.023 0.000 2.118 1043 E HA -0.260 4.090 4.350 0.000 0.000 0.195 1043 E C 2.048 178.557 176.600 -0.151 0.000 0.992 1043 E CA 1.349 57.781 56.400 0.054 0.000 0.804 1043 E CB -0.196 29.659 29.700 0.258 0.000 0.741 1043 E HN 0.406 nan 8.360 nan 0.000 0.458 1044 F N 1.396 120.929 119.950 -0.696 0.000 2.102 1044 F HA -0.179 4.348 4.527 0.000 0.000 0.298 1044 F C 1.857 177.347 175.800 -0.517 0.000 1.105 1044 F CA 1.355 58.607 58.000 -1.246 0.000 1.239 1044 F CB -0.206 38.106 39.000 -1.147 0.000 0.991 1044 F HN -0.078 nan 8.300 nan 0.000 0.474 1045 L N -0.023 120.943 121.223 -0.429 0.000 2.156 1045 L HA -0.196 4.144 4.340 0.000 0.000 0.208 1045 L C 2.051 178.741 176.870 -0.301 0.000 1.095 1045 L CA 1.001 55.600 54.840 -0.401 0.000 0.770 1045 L CB -0.784 41.158 42.059 -0.196 0.000 0.914 1045 L HN 0.152 nan 8.230 nan 0.000 0.439 1046 N N 0.109 118.684 118.700 -0.209 0.000 2.244 1046 N HA -0.158 4.582 4.740 0.000 0.000 0.183 1046 N C 1.676 177.090 175.510 -0.160 0.000 1.016 1046 N CA 0.981 53.941 53.050 -0.150 0.000 0.866 1046 N CB -0.056 38.383 38.487 -0.081 0.000 0.980 1046 N HN 0.392 nan 8.380 nan 0.000 0.430 1047 E N 0.652 120.754 120.200 -0.163 0.000 2.072 1047 E HA -0.068 4.283 4.350 0.000 0.000 0.191 1047 E C 1.896 178.383 176.600 -0.188 0.000 0.985 1047 E CA 1.000 57.335 56.400 -0.108 0.000 0.801 1047 E CB -0.113 29.594 29.700 0.013 0.000 0.750 1047 E HN 0.339 nan 8.360 nan 0.000 0.452 1048 A N 1.238 123.878 122.820 -0.300 0.000 1.940 1048 A HA -0.192 4.128 4.320 0.000 0.000 0.219 1048 A C 2.373 179.783 177.584 -0.289 0.000 1.176 1048 A CA 1.655 53.515 52.037 -0.295 0.000 0.631 1048 A CB -0.470 18.305 19.000 -0.375 0.000 0.814 1048 A HN 0.103 nan 8.150 nan 0.000 0.446 1049 S N -0.660 114.869 115.700 -0.286 0.000 2.382 1049 S HA -0.112 4.358 4.470 0.000 0.000 0.228 1049 S C 1.871 176.263 174.600 -0.346 0.000 1.027 1049 S CA 1.379 59.392 58.200 -0.311 0.000 0.991 1049 S CB -0.351 62.704 63.200 -0.241 0.000 0.823 1049 S HN 0.373 nan 8.310 nan 0.000 0.469 1050 V N 1.929 121.661 119.914 -0.304 0.000 2.283 1050 V HA -0.112 4.009 4.120 0.000 0.000 0.243 1050 V C 2.240 177.994 176.094 -0.567 0.000 1.039 1050 V CA 1.806 63.880 62.300 -0.378 0.000 1.016 1050 V CB -0.541 31.134 31.823 -0.247 0.000 0.650 1050 V HN 0.523 nan 8.190 nan 0.000 0.449 1051 M N -0.173 119.205 119.600 -0.371 0.000 2.346 1051 M HA -0.188 4.292 4.480 0.000 0.000 0.263 1051 M C 2.192 178.322 176.300 -0.283 0.000 1.064 1051 M CA 1.596 56.748 55.300 -0.247 0.000 1.083 1051 M CB -0.263 32.307 32.600 -0.049 0.000 1.399 1051 M HN 0.174 nan 8.290 nan 0.000 0.435 1052 K N 0.368 120.529 120.400 -0.399 0.000 2.209 1052 K HA -0.072 4.249 4.320 0.000 0.000 0.204 1052 K C 1.561 177.898 176.600 -0.439 0.000 1.048 1052 K CA 1.546 57.526 56.287 -0.512 0.000 0.940 1052 K CB -0.513 31.484 32.500 -0.838 0.000 0.729 1052 K HN 0.505 nan 8.250 nan 0.000 0.451 1053 G N -0.089 108.415 108.800 -0.493 0.000 3.026 1053 G HA2 -0.031 3.930 3.960 0.000 0.000 0.208 1053 G HA3 -0.031 3.930 3.960 0.000 0.000 0.208 1053 G C -0.156 174.631 174.900 -0.188 0.000 1.169 1053 G CA -0.269 44.602 45.100 -0.382 0.000 0.788 1053 G HN 0.060 nan 8.290 nan 0.000 0.533 1054 F N 2.155 122.112 119.950 0.012 0.000 2.291 1054 F HA 0.350 4.877 4.527 0.000 0.000 0.368 1054 F C 0.504 176.346 175.800 0.071 0.000 1.085 1054 F CA -1.685 56.403 58.000 0.147 0.000 1.165 1054 F CB 0.788 39.805 39.000 0.028 0.000 1.429 1054 F HN -0.062 nan 8.300 nan 0.000 0.503 1055 T N -0.497 114.218 114.554 0.268 0.000 2.893 1055 T HA 0.570 4.920 4.350 0.000 0.000 0.324 1055 T C -0.703 173.808 174.700 -0.314 0.000 1.082 1055 T CA -0.687 61.437 62.100 0.040 0.000 0.983 1055 T CB 0.806 69.758 68.868 0.140 0.000 1.005 1055 T HN 0.572 nan 8.240 nan 0.000 0.475 1056 C N 3.634 122.673 119.300 -0.435 0.000 3.006 1056 C HA 0.494 4.954 4.460 0.000 0.000 0.359 1056 C C 1.355 176.168 174.990 -0.295 0.000 1.103 1056 C CA -0.539 58.143 59.018 -0.561 0.000 1.286 1056 C CB 0.429 27.488 27.740 -1.136 0.000 1.694 1056 C HN 1.151 nan 8.230 nan 0.000 0.511 1057 H N 1.623 120.474 119.070 -0.365 0.000 2.460 1057 H HA -0.098 4.458 4.556 0.000 0.000 0.297 1057 H C 1.126 176.218 175.328 -0.392 0.000 1.103 1057 H CA 2.528 58.344 56.048 -0.386 0.000 1.292 1057 H CB -0.025 29.427 29.762 -0.517 0.000 1.376 1057 H HN 0.859 nan 8.280 nan 0.000 0.531 1058 H N -1.395 117.620 119.070 -0.092 0.000 2.537 1058 H HA 0.364 4.920 4.556 0.000 0.000 0.295 1058 H C -0.698 174.564 175.328 -0.110 0.000 1.054 1058 H CA -0.209 55.785 56.048 -0.090 0.000 1.156 1058 H CB 0.614 30.390 29.762 0.024 0.000 1.468 1058 H HN 0.005 nan 8.280 nan 0.000 0.551 1059 V N 1.386 121.243 119.914 -0.095 0.000 2.623 1059 V HA 0.089 4.209 4.120 0.000 0.000 0.304 1059 V C -0.030 176.020 176.094 -0.073 0.000 1.054 1059 V CA -1.128 61.119 62.300 -0.088 0.000 0.882 1059 V CB 2.358 34.097 31.823 -0.141 0.000 1.002 1059 V HN -0.008 nan 8.190 nan 0.000 0.424 1060 V N 5.816 125.707 119.914 -0.038 0.000 2.584 1060 V HA 0.079 4.199 4.120 0.000 0.000 0.303 1060 V C 0.772 176.881 176.094 0.026 0.000 1.035 1060 V CA 0.296 62.592 62.300 -0.006 0.000 1.172 1060 V CB -0.077 31.757 31.823 0.019 0.000 0.896 1060 V HN 1.015 nan 8.190 nan 0.000 0.486 1061 R N 4.712 125.234 120.500 0.038 0.000 2.720 1061 R HA 0.740 5.080 4.340 0.000 0.000 0.272 1061 R C -0.725 175.640 176.300 0.108 0.000 0.991 1061 R CA -1.070 55.076 56.100 0.076 0.000 1.010 1061 R CB 1.298 31.642 30.300 0.073 0.000 1.141 1061 R HN 0.477 nan 8.270 nan 0.000 0.494 1062 L N 3.261 124.565 121.223 0.135 0.000 2.361 1062 L HA 0.178 4.519 4.340 0.000 0.000 0.278 1062 L C 0.025 177.044 176.870 0.249 0.000 1.113 1062 L CA 0.150 55.081 54.840 0.153 0.000 0.849 1062 L CB 0.715 42.830 42.059 0.092 0.000 1.155 1062 L HN 0.865 nan 8.230 nan 0.000 0.452 1063 L N 4.758 126.086 121.223 0.176 0.000 2.354 1063 L HA 0.473 4.814 4.340 0.000 0.000 0.212 1063 L C 1.035 177.983 176.870 0.130 0.000 1.091 1063 L CA 0.470 55.383 54.840 0.121 0.000 0.828 1063 L CB -0.244 41.843 42.059 0.048 0.000 0.973 1063 L HN 0.854 nan 8.230 nan 0.000 0.461 1064 G N -0.908 108.011 108.800 0.199 0.000 2.349 1064 G HA2 0.474 4.434 3.960 0.000 0.000 0.294 1064 G HA3 0.474 4.434 3.960 0.000 0.000 0.294 1064 G C -2.003 172.976 174.900 0.131 0.000 1.380 1064 G CA -0.451 44.771 45.100 0.204 0.000 0.811 1064 G HN -0.292 nan 8.290 nan 0.000 0.519 1065 V N -0.604 119.370 119.914 0.101 0.000 2.851 1065 V HA 0.591 4.711 4.120 0.000 0.000 0.307 1065 V C -0.476 175.634 176.094 0.027 0.000 1.129 1065 V CA -0.777 61.544 62.300 0.034 0.000 0.932 1065 V CB 1.969 33.783 31.823 -0.015 0.000 1.024 1065 V HN 0.845 nan 8.190 nan 0.000 0.426 1066 V N 2.876 122.801 119.914 0.019 0.000 2.277 1066 V HA 0.264 4.384 4.120 0.000 0.000 0.269 1066 V C 0.889 176.992 176.094 0.015 0.000 1.036 1066 V CA 0.073 62.383 62.300 0.017 0.000 0.821 1066 V CB 0.807 32.640 31.823 0.016 0.000 1.052 1066 V HN 1.016 nan 8.190 nan 0.000 0.462 1067 S N 2.601 118.304 115.700 0.005 0.000 2.503 1067 S HA 0.175 4.645 4.470 0.000 0.000 0.217 1067 S C 0.736 175.338 174.600 0.004 0.000 0.999 1067 S CA -0.074 58.124 58.200 -0.002 0.000 0.914 1067 S CB 0.185 63.375 63.200 -0.017 0.000 0.782 1067 S HN 0.564 nan 8.310 nan 0.000 0.520 1068 K N 2.125 122.527 120.400 0.004 0.000 2.156 1068 K HA 0.636 4.956 4.320 0.000 0.000 0.271 1068 K C 0.695 177.297 176.600 0.003 0.000 0.995 1068 K CA 0.140 56.428 56.287 0.002 0.000 0.890 1068 K CB 0.839 33.339 32.500 -0.000 0.000 1.073 1068 K HN 0.288 nan 8.250 nan 0.000 0.454 1069 G N 1.917 110.718 108.800 0.002 0.000 2.757 1069 G HA2 -0.175 3.785 3.960 0.000 0.000 0.638 1069 G HA3 -0.175 3.785 3.960 0.000 0.000 0.638 1069 G C -1.267 173.635 174.900 0.004 0.000 1.344 1069 G CA -0.782 44.318 45.100 0.000 0.000 0.855 1069 G HN 0.401 nan 8.290 nan 0.000 0.537 1070 Q N 0.387 120.186 119.800 -0.001 0.000 2.337 1070 Q HA 0.616 4.956 4.340 0.000 0.000 0.266 1070 Q C -1.876 174.119 176.000 -0.009 0.000 1.023 1070 Q CA -1.328 54.474 55.803 -0.001 0.000 0.829 1070 Q CB 2.383 31.119 28.738 -0.004 0.000 1.306 1070 Q HN 0.696 nan 8.270 nan 0.000 0.449 1071 P HA 0.283 nan 4.420 nan 0.000 0.283 1071 P C -0.683 176.637 177.300 0.034 0.000 1.271 1071 P CA -0.407 62.696 63.100 0.006 0.000 0.841 1071 P CB 0.932 32.629 31.700 -0.005 0.000 1.122 1072 T N -0.355 114.242 114.554 0.071 0.000 2.907 1072 T HA 0.496 4.846 4.350 0.000 0.000 0.298 1072 T C 0.276 175.092 174.700 0.192 0.000 1.017 1072 T CA -0.579 61.590 62.100 0.115 0.000 1.118 1072 T CB 0.136 69.088 68.868 0.141 0.000 0.948 1072 T HN 0.243 nan 8.240 nan 0.000 0.531 1073 L N 2.421 123.726 121.223 0.136 0.000 2.365 1073 L HA 0.618 4.959 4.340 0.000 0.000 0.273 1073 L C -0.721 176.205 176.870 0.094 0.000 1.000 1073 L CA -1.399 53.529 54.840 0.148 0.000 0.819 1073 L CB 2.291 44.394 42.059 0.073 0.000 1.284 1073 L HN 0.446 nan 8.230 nan 0.000 0.418 1074 V N 3.735 123.717 119.914 0.112 0.000 2.334 1074 V HA 0.314 4.434 4.120 0.000 0.000 0.281 1074 V C 0.029 176.156 176.094 0.056 0.000 1.016 1074 V CA -0.630 61.669 62.300 -0.002 0.000 0.832 1074 V CB 1.901 33.636 31.823 -0.147 0.000 0.999 1074 V HN 0.433 nan 8.190 nan 0.000 0.439 1075 V N 6.867 126.812 119.914 0.051 0.000 2.406 1075 V HA 0.488 4.609 4.120 0.000 0.000 0.272 1075 V C 0.197 176.334 176.094 0.073 0.000 1.043 1075 V CA -0.153 62.182 62.300 0.058 0.000 0.915 1075 V CB 1.125 32.977 31.823 0.047 0.000 0.988 1075 V HN 0.794 nan 8.190 nan 0.000 0.466 1076 M N 3.424 123.071 119.600 0.079 0.000 2.662 1076 M HA 0.490 4.970 4.480 0.000 0.000 0.310 1076 M C 0.051 176.410 176.300 0.099 0.000 1.204 1076 M CA -0.691 54.673 55.300 0.106 0.000 0.891 1076 M CB 2.320 35.015 32.600 0.158 0.000 1.732 1076 M HN 0.814 nan 8.290 nan 0.000 0.467 1077 E N 1.717 121.974 120.200 0.095 0.000 2.384 1077 E HA 0.236 4.586 4.350 0.000 0.000 0.266 1077 E C -1.483 175.179 176.600 0.102 0.000 1.012 1077 E CA -0.456 55.987 56.400 0.071 0.000 0.901 1077 E CB 0.913 30.640 29.700 0.045 0.000 0.967 1077 E HN 0.513 nan 8.360 nan 0.000 0.435 1078 L N 4.726 125.996 121.223 0.079 0.000 2.264 1078 L HA 0.247 4.588 4.340 0.000 0.000 0.289 1078 L C -0.494 176.411 176.870 0.059 0.000 1.044 1078 L CA -0.392 54.509 54.840 0.101 0.000 0.807 1078 L CB 1.178 43.278 42.059 0.068 0.000 1.192 1078 L HN 0.677 nan 8.230 nan 0.000 0.425 1079 M N 5.278 124.919 119.600 0.069 0.000 2.135 1079 M HA 0.194 4.674 4.480 0.000 0.000 0.345 1079 M C 1.428 177.711 176.300 -0.029 0.000 1.340 1079 M CA -0.010 55.295 55.300 0.008 0.000 1.162 1079 M CB 0.746 33.345 32.600 -0.002 0.000 1.570 1079 M HN 0.871 nan 8.290 nan 0.000 0.454 1080 A N 3.337 126.093 122.820 -0.107 0.000 1.971 1080 A HA -0.199 4.121 4.320 0.000 0.000 0.222 1080 A C 1.446 178.809 177.584 -0.369 0.000 1.182 1080 A CA 1.820 53.703 52.037 -0.258 0.000 0.649 1080 A CB -0.630 18.146 19.000 -0.374 0.000 0.818 1080 A HN 0.826 nan 8.150 nan 0.000 0.458 1081 H N -1.071 117.984 119.070 -0.026 0.000 2.505 1081 H HA 0.368 4.924 4.556 0.000 0.000 0.289 1081 H C 1.473 176.842 175.328 0.069 0.000 1.052 1081 H CA 0.433 56.496 56.048 0.025 0.000 1.156 1081 H CB -0.533 29.176 29.762 -0.089 0.000 1.507 1081 H HN 0.712 nan 8.280 nan 0.000 0.548 1082 G N 2.085 110.952 108.800 0.112 0.000 2.645 1082 G HA2 -0.265 3.695 3.960 0.000 0.000 0.246 1082 G HA3 -0.265 3.695 3.960 0.000 0.000 0.246 1082 G C -0.067 174.884 174.900 0.086 0.000 1.322 1082 G CA -0.060 45.109 45.100 0.114 0.000 0.898 1082 G HN 0.512 nan 8.290 nan 0.000 0.573 1083 D N -0.101 120.354 120.400 0.091 0.000 2.362 1083 D HA 0.250 4.891 4.640 0.000 0.000 0.242 1083 D C 1.668 178.051 176.300 0.138 0.000 1.132 1083 D CA -0.122 53.920 54.000 0.071 0.000 0.907 1083 D CB 1.466 42.308 40.800 0.071 0.000 1.195 1083 D HN 0.531 nan 8.370 nan 0.000 0.429 1084 L N 1.962 123.245 121.223 0.100 0.000 2.083 1084 L HA -0.145 4.195 4.340 0.000 0.000 0.209 1084 L C 2.540 179.500 176.870 0.150 0.000 1.083 1084 L CA 1.851 56.781 54.840 0.149 0.000 0.752 1084 L CB -0.895 41.220 42.059 0.093 0.000 0.899 1084 L HN 0.643 nan 8.230 nan 0.000 0.433 1085 K N -0.774 119.660 120.400 0.056 0.000 2.032 1085 K HA -0.184 4.136 4.320 0.000 0.000 0.209 1085 K C 2.185 178.833 176.600 0.080 0.000 1.048 1085 K CA 1.828 58.105 56.287 -0.017 0.000 0.927 1085 K CB -0.263 32.054 32.500 -0.306 0.000 0.712 1085 K HN 0.557 nan 8.250 nan 0.000 0.441 1086 S N -0.692 115.125 115.700 0.196 0.000 2.387 1086 S HA -0.169 4.301 4.470 0.000 0.000 0.226 1086 S C 2.071 176.787 174.600 0.194 0.000 1.026 1086 S CA 0.655 59.008 58.200 0.255 0.000 0.972 1086 S CB -0.731 62.652 63.200 0.305 0.000 0.814 1086 S HN 0.495 nan 8.310 nan 0.000 0.477 1087 Y N 2.517 122.879 120.300 0.105 0.000 2.145 1087 Y HA 0.001 4.551 4.550 0.000 0.000 0.286 1087 Y C 2.018 177.941 175.900 0.039 0.000 1.145 1087 Y CA 1.428 59.579 58.100 0.085 0.000 1.148 1087 Y CB -0.554 37.966 38.460 0.100 0.000 0.981 1087 Y HN 0.211 nan 8.280 nan 0.000 0.507 1088 L N -0.188 121.029 121.223 -0.010 0.000 2.017 1088 L HA -0.251 4.089 4.340 0.000 0.000 0.208 1088 L C 2.621 179.413 176.870 -0.129 0.000 1.073 1088 L CA 1.694 56.465 54.840 -0.113 0.000 0.745 1088 L CB -0.529 41.519 42.059 -0.017 0.000 0.894 1088 L HN 0.146 nan 8.230 nan 0.000 0.432 1089 R N -0.177 120.298 120.500 -0.043 0.000 2.120 1089 R HA -0.140 4.200 4.340 0.000 0.000 0.234 1089 R C 2.505 178.773 176.300 -0.054 0.000 1.123 1089 R CA 1.566 57.652 56.100 -0.024 0.000 0.975 1089 R CB -0.399 29.933 30.300 0.052 0.000 0.866 1089 R HN 0.482 nan 8.270 nan 0.000 0.446 1090 S N 0.548 116.198 115.700 -0.083 0.000 2.481 1090 S HA -0.019 4.451 4.470 0.000 0.000 0.231 1090 S C 1.803 176.310 174.600 -0.156 0.000 0.996 1090 S CA 0.655 58.800 58.200 -0.091 0.000 0.942 1090 S CB -0.138 63.017 63.200 -0.074 0.000 0.768 1090 S HN 0.252 nan 8.310 nan 0.000 0.520 1091 L N 0.436 121.516 121.223 -0.238 0.000 2.554 1091 L HA 0.210 4.550 4.340 0.000 0.000 0.226 1091 L C 1.202 177.981 176.870 -0.153 0.000 1.137 1091 L CA -0.075 54.621 54.840 -0.241 0.000 0.863 1091 L CB -0.239 41.621 42.059 -0.332 0.000 0.985 1091 L HN 0.154 nan 8.230 nan 0.000 0.451 1092 R N 0.618 121.048 120.500 -0.117 0.000 2.679 1092 R HA -0.017 4.323 4.340 0.000 0.000 0.268 1092 R C -1.256 175.001 176.300 -0.071 0.000 1.044 1092 R CA -1.186 54.862 56.100 -0.087 0.000 1.105 1092 R CB 0.034 30.296 30.300 -0.063 0.000 0.989 1092 R HN -0.152 nan 8.270 nan 0.000 0.447 1093 P HA -0.201 nan 4.420 nan 0.000 0.217 1093 P C 0.674 177.951 177.300 -0.038 0.000 1.151 1093 P CA 1.819 64.889 63.100 -0.051 0.000 0.849 1093 P CB 0.213 31.886 31.700 -0.046 0.000 0.787 1094 E N -1.358 118.823 120.200 -0.032 0.000 2.499 1094 E HA 0.518 4.868 4.350 0.000 0.000 0.199 1094 E C 0.688 177.279 176.600 -0.017 0.000 1.016 1094 E CA 0.034 56.422 56.400 -0.021 0.000 0.933 1094 E CB -0.629 29.061 29.700 -0.016 0.000 1.050 1094 E HN 0.328 nan 8.360 nan 0.000 0.462 1095 A N 0.268 123.074 122.820 -0.023 0.000 2.477 1095 A HA 0.511 4.831 4.320 0.000 0.000 0.246 1095 A C 1.581 179.161 177.584 -0.006 0.000 1.078 1095 A CA 0.573 52.601 52.037 -0.015 0.000 0.770 1095 A CB -0.007 18.976 19.000 -0.028 0.000 1.011 1095 A HN 0.691 nan 8.150 nan 0.000 0.494 1096 E N 2.163 122.366 120.200 0.005 0.000 2.150 1096 E HA -0.194 4.156 4.350 0.000 0.000 0.193 1096 E C 0.994 177.604 176.600 0.015 0.000 0.985 1096 E CA 1.386 57.792 56.400 0.011 0.000 0.814 1096 E CB -0.668 29.041 29.700 0.016 0.000 0.752 1096 E HN 0.903 nan 8.360 nan 0.000 0.466 1097 N N 0.645 119.356 118.700 0.018 0.000 2.327 1097 N HA -0.025 4.716 4.740 0.000 0.000 0.231 1097 N C -0.125 175.395 175.510 0.016 0.000 1.130 1097 N CA -0.313 52.755 53.050 0.029 0.000 0.845 1097 N CB -0.434 38.081 38.487 0.046 0.000 1.073 1097 N HN 0.233 nan 8.380 nan 0.000 0.496 1098 N N 2.171 120.868 118.700 -0.005 0.000 2.440 1098 N HA 0.050 4.790 4.740 0.000 0.000 0.265 1098 N C -1.490 174.014 175.510 -0.009 0.000 1.239 1098 N CA -0.849 52.183 53.050 -0.030 0.000 0.909 1098 N CB 1.161 39.625 38.487 -0.039 0.000 1.066 1098 N HN 0.043 nan 8.380 nan 0.000 0.474 1099 P HA 0.038 nan 4.420 nan 0.000 0.226 1099 P C 0.327 177.641 177.300 0.024 0.000 1.146 1099 P CA 0.835 63.956 63.100 0.034 0.000 0.773 1099 P CB 0.029 31.750 31.700 0.035 0.000 0.772 1100 G N -0.619 108.175 108.800 -0.011 0.000 2.165 1100 G HA2 -0.252 3.708 3.960 0.000 0.000 0.226 1100 G HA3 -0.252 3.708 3.960 0.000 0.000 0.226 1100 G C -0.034 174.850 174.900 -0.028 0.000 1.035 1100 G CA -0.312 44.781 45.100 -0.011 0.000 0.744 1100 G HN 0.532 nan 8.290 nan 0.000 0.501 1101 R N 0.341 120.803 120.500 -0.064 0.000 2.807 1101 R HA 0.706 5.046 4.340 0.000 0.000 0.276 1101 R C -2.423 173.803 176.300 -0.124 0.000 0.979 1101 R CA -1.784 54.254 56.100 -0.103 0.000 0.928 1101 R CB 2.490 32.701 30.300 -0.149 0.000 1.191 1101 R HN 0.132 nan 8.270 nan 0.000 0.471 1102 P HA 0.318 nan 4.420 nan 0.000 0.281 1102 P C -2.692 174.522 177.300 -0.143 0.000 1.264 1102 P CA -1.556 61.475 63.100 -0.115 0.000 0.824 1102 P CB 0.680 32.325 31.700 -0.091 0.000 1.092 1103 P HA 0.094 nan 4.420 nan 0.000 0.268 1103 P C -2.179 175.049 177.300 -0.120 0.000 1.208 1103 P CA -0.955 62.059 63.100 -0.142 0.000 0.777 1103 P CB -1.290 30.334 31.700 -0.126 0.000 0.875 1104 P HA -0.048 nan 4.420 nan 0.000 0.264 1104 P C 0.397 177.652 177.300 -0.075 0.000 1.183 1104 P CA 0.469 63.521 63.100 -0.080 0.000 0.763 1104 P CB -0.016 31.657 31.700 -0.044 0.000 0.807 1105 T N 0.538 115.052 114.554 -0.066 0.000 2.766 1105 T HA 0.035 4.386 4.350 0.000 0.000 0.295 1105 T C 1.344 176.013 174.700 -0.051 0.000 1.024 1105 T CA -0.673 61.394 62.100 -0.056 0.000 1.018 1105 T CB 0.278 69.118 68.868 -0.047 0.000 1.002 1105 T HN 0.202 nan 8.240 nan 0.000 0.532 1106 L N 0.542 121.736 121.223 -0.048 0.000 2.043 1106 L HA -0.109 4.231 4.340 0.000 0.000 0.212 1106 L C 2.897 179.742 176.870 -0.042 0.000 1.075 1106 L CA 2.120 56.932 54.840 -0.048 0.000 0.752 1106 L CB -1.224 40.808 42.059 -0.044 0.000 0.891 1106 L HN 0.956 nan 8.230 nan 0.000 0.432 1107 Q N -0.663 119.117 119.800 -0.034 0.000 2.061 1107 Q HA -0.262 4.078 4.340 0.000 0.000 0.204 1107 Q C 2.078 178.068 176.000 -0.017 0.000 0.984 1107 Q CA 2.255 58.043 55.803 -0.025 0.000 0.846 1107 Q CB -0.097 28.632 28.738 -0.015 0.000 0.902 1107 Q HN 0.695 nan 8.270 nan 0.000 0.421 1108 E N 0.172 120.362 120.200 -0.017 0.000 2.106 1108 E HA -0.186 4.164 4.350 0.000 0.000 0.192 1108 E C 1.984 178.580 176.600 -0.008 0.000 0.984 1108 E CA 1.186 57.583 56.400 -0.006 0.000 0.806 1108 E CB -0.162 29.525 29.700 -0.022 0.000 0.750 1108 E HN 0.446 nan 8.360 nan 0.000 0.458 1109 M N 0.757 120.341 119.600 -0.026 0.000 2.086 1109 M HA -0.179 4.301 4.480 0.000 0.000 0.261 1109 M C 2.051 178.332 176.300 -0.032 0.000 1.067 1109 M CA 1.652 56.932 55.300 -0.034 0.000 1.116 1109 M CB -0.040 32.526 32.600 -0.057 0.000 1.348 1109 M HN 0.063 nan 8.290 nan 0.000 0.407 1110 I N 0.254 120.800 120.570 -0.040 0.000 2.286 1110 I HA -0.285 3.885 4.170 0.000 0.000 0.248 1110 I C 2.563 178.648 176.117 -0.054 0.000 1.115 1110 I CA 1.320 62.590 61.300 -0.049 0.000 1.392 1110 I CB -0.419 37.542 38.000 -0.064 0.000 1.065 1110 I HN 0.463 nan 8.210 nan 0.000 0.418 1111 Q N 1.107 120.885 119.800 -0.037 0.000 2.020 1111 Q HA -0.214 4.126 4.340 0.000 0.000 0.202 1111 Q C 2.223 178.225 176.000 0.004 0.000 0.982 1111 Q CA 1.987 57.774 55.803 -0.027 0.000 0.838 1111 Q CB -0.221 28.537 28.738 0.032 0.000 0.899 1111 Q HN 0.382 nan 8.270 nan 0.000 0.423 1112 M N -0.544 119.072 119.600 0.026 0.000 2.108 1112 M HA -0.208 4.272 4.480 0.000 0.000 0.261 1112 M C 2.171 178.516 176.300 0.074 0.000 1.066 1112 M CA 1.652 56.981 55.300 0.049 0.000 1.107 1112 M CB -0.473 32.153 32.600 0.043 0.000 1.356 1112 M HN 0.389 nan 8.290 nan 0.000 0.406 1113 A N 0.272 123.132 122.820 0.067 0.000 1.908 1113 A HA -0.100 4.220 4.320 0.000 0.000 0.218 1113 A C 2.337 180.071 177.584 0.249 0.000 1.181 1113 A CA 2.059 54.204 52.037 0.179 0.000 0.627 1113 A CB -0.940 18.125 19.000 0.108 0.000 0.818 1113 A HN 0.525 nan 8.150 nan 0.000 0.445 1114 A N -0.403 122.449 122.820 0.054 0.000 1.930 1114 A HA -0.111 4.210 4.320 0.000 0.000 0.217 1114 A C 1.900 179.531 177.584 0.079 0.000 1.175 1114 A CA 1.540 53.558 52.037 -0.031 0.000 0.627 1114 A CB -0.464 18.310 19.000 -0.377 0.000 0.815 1114 A HN 0.633 nan 8.150 nan 0.000 0.443 1115 E N -0.203 120.006 120.200 0.015 0.000 2.077 1115 E HA -0.144 4.206 4.350 0.000 0.000 0.193 1115 E C 1.846 178.401 176.600 -0.074 0.000 0.989 1115 E CA 1.290 57.530 56.400 -0.267 0.000 0.800 1115 E CB -0.279 29.318 29.700 -0.172 0.000 0.746 1115 E HN 0.699 nan 8.360 nan 0.000 0.452 1116 I N 1.062 121.696 120.570 0.106 0.000 2.163 1116 I HA -0.247 3.923 4.170 0.000 0.000 0.240 1116 I C 2.546 178.749 176.117 0.143 0.000 1.081 1116 I CA 0.999 62.415 61.300 0.193 0.000 1.353 1116 I CB -0.305 37.913 38.000 0.363 0.000 1.054 1116 I HN 0.077 nan 8.210 nan 0.000 0.407 1117 A N 0.195 123.105 122.820 0.150 0.000 1.972 1117 A HA -0.291 4.029 4.320 0.000 0.000 0.219 1117 A C 1.958 179.585 177.584 0.072 0.000 1.169 1117 A CA 2.310 54.313 52.037 -0.058 0.000 0.635 1117 A CB -0.699 18.172 19.000 -0.215 0.000 0.810 1117 A HN 0.466 nan 8.150 nan 0.000 0.446 1118 D N -0.762 119.729 120.400 0.151 0.000 2.117 1118 D HA -0.021 4.619 4.640 0.000 0.000 0.198 1118 D C 2.011 178.458 176.300 0.245 0.000 0.982 1118 D CA 1.609 55.783 54.000 0.290 0.000 0.828 1118 D CB -0.412 40.609 40.800 0.368 0.000 0.967 1118 D HN 0.284 nan 8.370 nan 0.000 0.464 1119 G N 0.026 108.919 108.800 0.155 0.000 2.418 1119 G HA2 -0.214 3.747 3.960 0.000 0.000 0.217 1119 G HA3 -0.214 3.747 3.960 0.000 0.000 0.217 1119 G C 1.527 176.398 174.900 -0.047 0.000 1.158 1119 G CA 0.637 45.792 45.100 0.092 0.000 0.771 1119 G HN 0.175 nan 8.290 nan 0.000 0.545 1120 M N 1.155 120.628 119.600 -0.211 0.000 2.213 1120 M HA 0.079 4.559 4.480 0.000 0.000 0.263 1120 M C 2.943 178.980 176.300 -0.437 0.000 1.062 1120 M CA 1.088 56.053 55.300 -0.558 0.000 1.105 1120 M CB -1.088 30.646 32.600 -1.444 0.000 1.385 1120 M HN 0.328 nan 8.290 nan 0.000 0.417 1121 A N -0.841 121.896 122.820 -0.139 0.000 1.898 1121 A HA -0.216 4.104 4.320 0.000 0.000 0.216 1121 A C 2.141 179.557 177.584 -0.280 0.000 1.181 1121 A CA 1.343 53.439 52.037 0.098 0.000 0.620 1121 A CB -1.122 18.154 19.000 0.461 0.000 0.819 1121 A HN 0.484 nan 8.150 nan 0.000 0.442 1122 Y N 0.668 120.590 120.300 -0.629 0.000 2.097 1122 Y HA -0.218 4.332 4.550 0.000 0.000 0.282 1122 Y C 2.009 177.560 175.900 -0.582 0.000 1.152 1122 Y CA 2.077 59.526 58.100 -1.086 0.000 1.136 1122 Y CB -0.373 37.747 38.460 -0.568 0.000 0.975 1122 Y HN 0.220 nan 8.280 nan 0.000 0.498 1123 L N 0.543 121.579 121.223 -0.311 0.000 2.042 1123 L HA -0.287 4.053 4.340 0.000 0.000 0.210 1123 L C 2.581 179.355 176.870 -0.160 0.000 1.076 1123 L CA 1.852 56.501 54.840 -0.319 0.000 0.749 1123 L CB -0.862 41.068 42.059 -0.215 0.000 0.893 1123 L HN 0.427 nan 8.230 nan 0.000 0.432 1124 N N 0.698 119.330 118.700 -0.112 0.000 2.223 1124 N HA -0.182 4.558 4.740 0.000 0.000 0.185 1124 N C 1.791 177.280 175.510 -0.036 0.000 1.016 1124 N CA 1.315 54.367 53.050 0.003 0.000 0.863 1124 N CB 0.160 38.713 38.487 0.110 0.000 0.983 1124 N HN 0.326 nan 8.380 nan 0.000 0.429 1125 A N 0.949 123.667 122.820 -0.170 0.000 2.015 1125 A HA -0.038 4.282 4.320 0.000 0.000 0.219 1125 A C 1.872 179.368 177.584 -0.146 0.000 1.163 1125 A CA 0.939 52.888 52.037 -0.147 0.000 0.646 1125 A CB -0.089 18.735 19.000 -0.293 0.000 0.806 1125 A HN 0.155 nan 8.150 nan 0.000 0.448 1126 K N -0.336 119.944 120.400 -0.199 0.000 2.417 1126 K HA 0.111 4.431 4.320 0.000 0.000 0.196 1126 K C -0.215 176.420 176.600 0.059 0.000 1.023 1126 K CA 0.195 56.443 56.287 -0.066 0.000 1.122 1126 K CB 0.029 32.531 32.500 0.004 0.000 0.850 1126 K HN 0.578 nan 8.250 nan 0.000 0.521 1127 K N 0.077 120.505 120.400 0.046 0.000 3.160 1127 K HA -0.209 4.111 4.320 0.000 0.000 0.280 1127 K C -0.317 176.363 176.600 0.133 0.000 1.154 1127 K CA 0.361 56.695 56.287 0.079 0.000 0.822 1127 K CB -1.882 30.658 32.500 0.066 0.000 1.239 1127 K HN 0.128 nan 8.250 nan 0.000 0.489 1128 F N 0.916 120.845 119.950 -0.035 0.000 2.411 1128 F HA 0.368 4.895 4.527 0.000 0.000 0.350 1128 F C 0.137 175.926 175.800 -0.018 0.000 1.114 1128 F CA -0.781 57.194 58.000 -0.042 0.000 1.135 1128 F CB 1.057 39.971 39.000 -0.144 0.000 1.120 1128 F HN -0.201 nan 8.300 nan 0.000 0.495 1129 V N 7.437 126.999 119.914 -0.587 0.000 2.328 1129 V HA 0.087 4.207 4.120 0.000 0.000 0.278 1129 V C 1.114 176.727 176.094 -0.803 0.000 1.021 1129 V CA -0.414 61.649 62.300 -0.395 0.000 0.838 1129 V CB 0.828 32.551 31.823 -0.166 0.000 0.999 1129 V HN 0.889 nan 8.190 nan 0.000 0.447 1130 H N 5.450 124.200 119.070 -0.533 0.000 2.290 1130 H HA -0.100 4.456 4.556 0.000 0.000 0.298 1130 H C 1.702 176.874 175.328 -0.260 0.000 1.087 1130 H CA 2.446 58.292 56.048 -0.336 0.000 1.291 1130 H CB 0.343 30.145 29.762 0.068 0.000 1.369 1130 H HN 0.730 nan 8.280 nan 0.000 0.492 1131 R N -1.080 119.466 120.500 0.078 0.000 3.749 1131 R HA -0.195 4.145 4.340 0.000 0.000 0.476 1131 R C -0.238 176.121 176.300 0.098 0.000 0.814 1131 R CA 1.382 57.416 56.100 -0.110 0.000 1.494 1131 R CB -1.508 28.440 30.300 -0.586 0.000 2.164 1131 R HN 0.386 nan 8.270 nan 0.000 0.473 1132 D N 0.184 120.835 120.400 0.418 0.000 3.007 1132 D HA 0.153 4.793 4.640 0.000 0.000 0.363 1132 D C -0.963 175.301 176.300 -0.060 0.000 1.474 1132 D CA -0.410 53.738 54.000 0.247 0.000 0.767 1132 D CB 0.386 41.343 40.800 0.261 0.000 1.227 1132 D HN 0.063 nan 8.370 nan 0.000 0.471 1133 L N 1.528 122.580 121.223 -0.285 0.000 2.455 1133 L HA 0.636 4.976 4.340 0.000 0.000 0.272 1133 L C -0.415 176.392 176.870 -0.104 0.000 1.174 1133 L CA 0.451 55.033 54.840 -0.429 0.000 0.869 1133 L CB 0.443 42.410 42.059 -0.154 0.000 1.130 1133 L HN 0.219 nan 8.230 nan 0.000 0.474 1134 A N 3.736 126.467 122.820 -0.149 0.000 2.567 1134 A HA 0.654 4.974 4.320 0.000 0.000 0.291 1134 A C 0.373 177.909 177.584 -0.080 0.000 1.048 1134 A CA -0.168 51.765 52.037 -0.173 0.000 0.661 1134 A CB 0.016 18.481 19.000 -0.891 0.000 1.288 1134 A HN 1.128 nan 8.150 nan 0.000 0.424 1135 A N 0.556 123.393 122.820 0.029 0.000 1.933 1135 A HA -0.128 4.192 4.320 0.000 0.000 0.218 1135 A C 1.931 179.478 177.584 -0.061 0.000 1.175 1135 A CA 2.041 54.091 52.037 0.021 0.000 0.628 1135 A CB -0.667 18.377 19.000 0.074 0.000 0.814 1135 A HN 1.149 nan 8.150 nan 0.000 0.444 1136 R N -0.698 119.693 120.500 -0.181 0.000 2.200 1136 R HA -0.054 4.286 4.340 0.000 0.000 0.234 1136 R C 0.140 176.402 176.300 -0.063 0.000 1.127 1136 R CA 1.526 57.523 56.100 -0.171 0.000 0.989 1136 R CB -0.500 29.624 30.300 -0.293 0.000 0.869 1136 R HN 0.313 nan 8.270 nan 0.000 0.459 1137 N N 0.156 118.810 118.700 -0.076 0.000 2.320 1137 N HA 0.151 4.891 4.740 0.000 0.000 0.237 1137 N C -1.068 174.444 175.510 0.004 0.000 1.129 1137 N CA -0.065 52.979 53.050 -0.009 0.000 0.854 1137 N CB 0.504 39.016 38.487 0.041 0.000 1.083 1137 N HN 0.168 nan 8.380 nan 0.000 0.504 1138 C N 0.171 119.464 119.300 -0.011 0.000 2.994 1138 C HA 0.619 5.080 4.460 0.000 0.000 0.304 1138 C C -0.147 174.836 174.990 -0.011 0.000 1.273 1138 C CA -0.839 58.182 59.018 0.004 0.000 1.537 1138 C CB 1.891 29.647 27.740 0.027 0.000 2.001 1138 C HN 0.198 nan 8.230 nan 0.000 0.471 1139 M N 1.419 121.008 119.600 -0.018 0.000 2.619 1139 M HA 0.592 5.072 4.480 0.000 0.000 0.297 1139 M C -1.347 174.934 176.300 -0.031 0.000 1.229 1139 M CA -0.679 54.603 55.300 -0.030 0.000 0.860 1139 M CB 2.020 34.581 32.600 -0.065 0.000 1.741 1139 M HN 0.279 nan 8.290 nan 0.000 0.462 1140 V N 1.452 121.339 119.914 -0.045 0.000 2.384 1140 V HA 0.638 4.758 4.120 0.000 0.000 0.287 1140 V C 0.271 176.316 176.094 -0.082 0.000 1.020 1140 V CA -0.700 61.541 62.300 -0.098 0.000 0.850 1140 V CB 1.168 32.820 31.823 -0.284 0.000 0.987 1140 V HN 1.006 nan 8.190 nan 0.000 0.436 1141 A N 3.744 126.493 122.820 -0.118 0.000 2.267 1141 A HA 0.354 4.674 4.320 0.000 0.000 0.271 1141 A C 1.434 178.863 177.584 -0.259 0.000 1.131 1141 A CA 0.259 52.207 52.037 -0.147 0.000 0.818 1141 A CB -0.005 18.895 19.000 -0.166 0.000 1.118 1141 A HN 1.078 nan 8.150 nan 0.000 0.501 1142 H N -0.145 118.750 119.070 -0.292 0.000 2.421 1142 H HA -0.131 4.425 4.556 0.000 0.000 0.298 1142 H C 0.329 175.325 175.328 -0.554 0.000 1.087 1142 H CA 1.643 57.459 56.048 -0.387 0.000 1.330 1142 H CB -0.327 29.286 29.762 -0.248 0.000 1.388 1142 H HN 0.663 nan 8.280 nan 0.000 0.526 1143 D N -0.681 119.031 120.400 -1.147 0.000 2.358 1143 D HA -0.034 4.607 4.640 0.000 0.000 0.224 1143 D C 0.028 176.077 176.300 -0.418 0.000 1.123 1143 D CA -0.614 52.951 54.000 -0.724 0.000 0.833 1143 D CB -0.911 39.541 40.800 -0.581 0.000 0.946 1143 D HN 0.314 nan 8.370 nan 0.000 0.505 1144 F N -1.064 118.807 119.950 -0.132 0.000 2.840 1144 F HA -0.238 4.289 4.527 0.000 0.000 0.310 1144 F C 0.429 176.163 175.800 -0.111 0.000 0.688 1144 F CA 0.569 58.487 58.000 -0.137 0.000 1.286 1144 F CB -2.818 36.114 39.000 -0.115 0.000 1.612 1144 F HN -0.108 nan 8.300 nan 0.000 0.335 1145 T N 1.664 116.193 114.554 -0.042 0.000 2.916 1145 T HA 0.441 4.791 4.350 0.000 0.000 0.303 1145 T C 0.531 175.235 174.700 0.006 0.000 1.025 1145 T CA -0.194 61.918 62.100 0.021 0.000 1.142 1145 T CB 1.400 70.269 68.868 0.002 0.000 0.947 1145 T HN 0.045 nan 8.240 nan 0.000 0.544 1146 V N 5.037 124.982 119.914 0.052 0.000 2.427 1146 V HA 0.423 4.543 4.120 0.000 0.000 0.286 1146 V C 0.235 176.364 176.094 0.059 0.000 1.034 1146 V CA -0.543 61.779 62.300 0.037 0.000 0.893 1146 V CB 1.313 33.167 31.823 0.051 0.000 0.982 1146 V HN 0.760 nan 8.190 nan 0.000 0.452 1147 K N 4.318 124.733 120.400 0.025 0.000 2.395 1147 K HA 0.623 4.943 4.320 0.000 0.000 0.247 1147 K C -1.269 175.343 176.600 0.021 0.000 0.973 1147 K CA -1.009 55.294 56.287 0.026 0.000 0.828 1147 K CB 2.419 34.898 32.500 -0.034 0.000 1.272 1147 K HN 0.340 nan 8.250 nan 0.000 0.439 1148 I N 1.838 122.422 120.570 0.023 0.000 2.416 1148 I HA 0.375 4.545 4.170 0.000 0.000 0.288 1148 I C 0.594 176.720 176.117 0.015 0.000 1.051 1148 I CA 0.294 61.614 61.300 0.033 0.000 1.375 1148 I CB 0.023 38.041 38.000 0.030 0.000 1.407 1148 I HN 0.827 nan 8.210 nan 0.000 0.516 1149 G N 5.323 114.143 108.800 0.033 0.000 2.429 1149 G HA2 0.488 4.448 3.960 0.000 0.000 0.300 1149 G HA3 0.488 4.448 3.960 0.000 0.000 0.300 1149 G C -1.979 172.890 174.900 -0.051 0.000 1.598 1149 G CA -0.853 44.247 45.100 0.001 0.000 0.863 1149 G HN 0.798 nan 8.290 nan 0.000 0.614 1150 D N -0.866 119.497 120.400 -0.061 0.000 2.706 1150 D HA 0.540 5.180 4.640 0.000 0.000 0.225 1150 D C -0.101 176.178 176.300 -0.035 0.000 1.241 1150 D CA -0.831 53.075 54.000 -0.156 0.000 0.784 1150 D CB 0.736 41.531 40.800 -0.008 0.000 1.521 1150 D HN 0.159 nan 8.370 nan 0.000 0.461 1151 F N 1.164 121.166 119.950 0.087 0.000 2.456 1151 F HA 0.382 4.909 4.527 0.000 0.000 0.298 1151 F C 1.923 177.770 175.800 0.079 0.000 1.104 1151 F CA 0.724 58.775 58.000 0.084 0.000 1.435 1151 F CB -0.213 38.827 39.000 0.066 0.000 1.078 1151 F HN 0.850 nan 8.300 nan 0.000 0.546 1152 G N 0.132 109.056 108.800 0.206 0.000 2.468 1152 G HA2 0.186 4.146 3.960 0.000 0.000 0.143 1152 G HA3 0.186 4.146 3.960 0.000 0.000 0.143 1152 G C -0.237 174.709 174.900 0.077 0.000 1.065 1152 G CA -0.096 45.074 45.100 0.117 0.000 0.776 1152 G HN 0.443 nan 8.290 nan 0.000 0.486 1153 M N 0.236 119.886 119.600 0.083 0.000 2.986 1153 M HA 0.893 5.373 4.480 0.000 0.000 0.241 1153 M C 1.554 177.863 176.300 0.016 0.000 1.191 1153 M CA 0.920 56.253 55.300 0.055 0.000 1.143 1153 M CB -0.868 31.791 32.600 0.098 0.000 1.242 1153 M HN 1.466 nan 8.290 nan 0.000 0.543 1154 T N 0.084 114.568 114.554 -0.118 0.000 2.674 1154 T HA 0.299 4.649 4.350 0.000 0.000 0.265 1154 T C 1.468 176.034 174.700 -0.223 0.000 1.039 1154 T CA 2.223 64.080 62.100 -0.405 0.000 1.150 1154 T CB -0.272 68.211 68.868 -0.642 0.000 0.864 1154 T HN 1.326 nan 8.240 nan 0.000 0.427 1155 R N 1.124 121.543 120.500 -0.135 0.000 2.216 1155 R HA 0.609 4.949 4.340 0.000 0.000 0.332 1155 R C -0.009 176.285 176.300 -0.011 0.000 1.056 1155 R CA 0.783 56.855 56.100 -0.047 0.000 0.901 1155 R CB -1.157 29.112 30.300 -0.051 0.000 1.039 1155 R HN 1.046 nan 8.270 nan 0.000 0.456 1156 D N -0.471 119.933 120.400 0.008 0.000 4.142 1156 D HA 0.536 5.176 4.640 0.000 0.000 0.356 1156 D C 1.324 177.567 176.300 -0.096 0.000 1.601 1156 D CA 0.294 54.269 54.000 -0.042 0.000 0.970 1156 D CB -0.139 40.638 40.800 -0.037 0.000 1.490 1156 D HN 1.281 nan 8.370 nan 0.000 0.621 1157 I N -0.807 119.590 120.570 -0.290 0.000 3.001 1157 I HA 0.276 4.447 4.170 0.000 0.000 0.268 1157 I C 1.365 177.300 176.117 -0.303 0.000 1.267 1157 I CA 1.466 62.544 61.300 -0.371 0.000 1.472 1157 I CB -1.408 36.230 38.000 -0.602 0.000 1.089 1157 I HN 0.533 nan 8.210 nan 0.000 0.468 1158 Y N 0.868 121.235 120.300 0.113 0.000 2.708 1158 Y HA 0.508 5.058 4.550 0.000 0.000 0.287 1158 Y C 2.093 178.128 175.900 0.225 0.000 1.145 1158 Y CA -0.361 57.826 58.100 0.145 0.000 1.249 1158 Y CB -1.213 37.319 38.460 0.121 0.000 1.152 1158 Y HN 0.539 nan 8.280 nan 0.000 0.532 1159 E N -0.183 120.185 120.200 0.279 0.000 2.110 1159 E HA -0.171 4.180 4.350 0.000 0.000 0.193 1159 E C 1.960 178.760 176.600 0.333 0.000 0.988 1159 E CA 1.942 58.506 56.400 0.274 0.000 0.804 1159 E CB -1.010 28.776 29.700 0.144 0.000 0.745 1159 E HN 0.398 nan 8.360 nan 0.000 0.458 1160 T N 0.973 115.690 114.554 0.272 0.000 3.025 1160 T HA -0.070 4.280 4.350 0.000 0.000 0.270 1160 T C 0.758 175.617 174.700 0.266 0.000 1.126 1160 T CA 1.027 63.275 62.100 0.246 0.000 1.105 1160 T CB -0.217 68.772 68.868 0.201 0.000 0.884 1160 T HN 0.384 nan 8.240 nan 0.000 0.522 1161 D N 0.112 120.673 120.400 0.269 0.000 2.363 1161 D HA 0.092 4.732 4.640 0.000 0.000 0.226 1161 D C -0.444 175.763 176.300 -0.156 0.000 1.020 1161 D CA 0.490 54.553 54.000 0.105 0.000 0.892 1161 D CB 0.051 40.718 40.800 -0.221 0.000 0.900 1161 D HN 0.467 nan 8.370 nan 0.000 0.531 1162 Y N -0.797 119.639 120.300 0.228 0.000 2.462 1162 Y HA 0.421 4.971 4.550 0.000 0.000 0.346 1162 Y C -0.780 175.282 175.900 0.271 0.000 0.976 1162 Y CA -1.398 56.833 58.100 0.218 0.000 1.044 1162 Y CB 1.590 40.132 38.460 0.138 0.000 1.230 1162 Y HN -0.231 nan 8.280 nan 0.000 0.455 1163 Y N 1.739 122.186 120.300 0.244 0.000 2.457 1163 Y HA 0.535 5.085 4.550 0.000 0.000 0.343 1163 Y C -0.761 175.218 175.900 0.131 0.000 0.994 1163 Y CA -1.792 56.403 58.100 0.159 0.000 1.031 1163 Y CB 1.473 40.004 38.460 0.117 0.000 1.246 1163 Y HN 0.609 nan 8.280 nan 0.000 0.449 1164 R N 4.965 125.168 120.500 -0.495 0.000 2.878 1164 R HA 0.113 4.453 4.340 0.000 0.000 0.239 1164 R C -0.226 175.598 176.300 -0.794 0.000 1.515 1164 R CA -0.287 55.532 56.100 -0.469 0.000 1.210 1164 R CB 0.065 30.207 30.300 -0.263 0.000 1.209 1164 R HN 0.492 nan 8.270 nan 0.000 0.610 1165 K N 1.081 121.173 120.400 -0.514 0.000 2.472 1165 K HA -0.066 4.255 4.320 0.000 0.000 0.280 1165 K C 0.796 177.288 176.600 -0.181 0.000 1.028 1165 K CA 1.005 57.127 56.287 -0.274 0.000 1.045 1165 K CB 0.307 32.798 32.500 -0.015 0.000 0.902 1165 K HN 0.764 nan 8.250 nan 0.000 0.478 1166 G N 3.127 111.859 108.800 -0.114 0.000 2.258 1166 G HA2 -0.278 3.682 3.960 0.000 0.000 0.274 1166 G HA3 -0.278 3.682 3.960 0.000 0.000 0.274 1166 G C 0.748 175.599 174.900 -0.082 0.000 1.021 1166 G CA 0.618 45.682 45.100 -0.060 0.000 0.798 1166 G HN 1.476 nan 8.290 nan 0.000 0.507 1167 G N -1.532 107.180 108.800 -0.146 0.000 2.166 1167 G HA2 -0.326 3.634 3.960 0.000 0.000 0.260 1167 G HA3 -0.326 3.634 3.960 0.000 0.000 0.260 1167 G C 0.857 175.701 174.900 -0.094 0.000 0.986 1167 G CA 1.834 46.866 45.100 -0.113 0.000 0.683 1167 G HN 0.965 nan 8.290 nan 0.000 0.527 1168 K N -0.016 120.322 120.400 -0.104 0.000 3.736 1168 K HA 0.548 4.869 4.320 0.000 0.000 0.223 1168 K C 1.549 178.113 176.600 -0.061 0.000 1.121 1168 K CA -0.206 56.042 56.287 -0.064 0.000 1.731 1168 K CB -0.180 32.295 32.500 -0.042 0.000 2.462 1168 K HN 0.282 nan 8.250 nan 0.000 0.657 1169 G N 0.738 109.518 108.800 -0.033 0.000 2.539 1169 G HA2 0.311 4.271 3.960 0.000 0.000 0.258 1169 G HA3 0.311 4.271 3.960 0.000 0.000 0.258 1169 G C -0.511 174.389 174.900 0.000 0.000 1.202 1169 G CA -0.628 44.464 45.100 -0.014 0.000 0.851 1169 G HN 0.225 nan 8.290 nan 0.000 0.556 1170 L N 1.002 122.237 121.223 0.021 0.000 2.456 1170 L HA 0.209 4.549 4.340 0.000 0.000 0.277 1170 L C 0.016 177.009 176.870 0.205 0.000 1.124 1170 L CA 0.125 55.020 54.840 0.092 0.000 0.880 1170 L CB 0.022 42.103 42.059 0.036 0.000 1.192 1170 L HN 0.161 nan 8.230 nan 0.000 0.463 1171 L N 6.515 127.899 121.223 0.268 0.000 2.346 1171 L HA 0.458 4.798 4.340 0.000 0.000 0.274 1171 L C -1.975 175.111 176.870 0.361 0.000 1.007 1171 L CA -1.800 53.234 54.840 0.324 0.000 0.818 1171 L CB 2.284 44.492 42.059 0.249 0.000 1.284 1171 L HN 0.356 nan 8.230 nan 0.000 0.424 1172 P HA -0.005 nan 4.420 nan 0.000 0.230 1172 P C 1.104 178.595 177.300 0.317 0.000 1.791 1172 P CA -0.155 62.991 63.100 0.077 0.000 1.020 1172 P CB 0.115 31.775 31.700 -0.066 0.000 1.977 1173 V N 1.279 121.364 119.914 0.286 0.000 2.370 1173 V HA -0.289 3.831 4.120 0.000 0.000 0.252 1173 V C 2.041 178.240 176.094 0.176 0.000 1.068 1173 V CA 1.484 63.917 62.300 0.223 0.000 1.061 1173 V CB -1.470 30.477 31.823 0.207 0.000 0.656 1173 V HN 0.180 nan 8.190 nan 0.000 0.455 1174 R N -1.253 119.375 120.500 0.214 0.000 2.316 1174 R HA 0.045 4.385 4.340 0.000 0.000 0.202 1174 R C 1.729 177.977 176.300 -0.087 0.000 1.029 1174 R CA 1.329 57.438 56.100 0.014 0.000 1.018 1174 R CB -0.187 29.979 30.300 -0.224 0.000 0.888 1174 R HN 0.669 nan 8.270 nan 0.000 0.471 1175 W N -0.422 120.991 121.300 0.189 0.000 3.008 1175 W HA 0.295 4.955 4.660 0.000 0.000 0.355 1175 W C -0.010 176.715 176.519 0.343 0.000 1.095 1175 W CA -0.500 57.007 57.345 0.270 0.000 1.738 1175 W CB 0.363 29.927 29.460 0.173 0.000 1.091 1175 W HN -0.010 nan 8.180 nan 0.000 0.574 1176 M N 0.694 120.500 119.600 0.344 0.000 2.216 1176 M HA 0.388 4.869 4.480 0.000 0.000 0.356 1176 M C 0.668 176.692 176.300 -0.460 0.000 1.205 1176 M CA -0.178 55.172 55.300 0.084 0.000 1.122 1176 M CB 1.332 33.967 32.600 0.058 0.000 1.571 1176 M HN -0.246 nan 8.290 nan 0.000 0.464 1177 A N 5.161 127.580 122.820 -0.668 0.000 2.425 1177 A HA 0.279 4.599 4.320 0.000 0.000 0.242 1177 A C -1.500 175.521 177.584 -0.939 0.000 1.077 1177 A CA -1.149 50.106 52.037 -1.304 0.000 0.781 1177 A CB -0.482 18.169 19.000 -0.581 0.000 1.020 1177 A HN 0.692 nan 8.150 nan 0.000 0.494 1178 P HA -0.232 nan 4.420 nan 0.000 0.218 1178 P C 1.017 178.030 177.300 -0.477 0.000 1.148 1178 P CA 1.732 64.463 63.100 -0.616 0.000 0.822 1178 P CB 0.058 31.420 31.700 -0.564 0.000 0.784 1179 E N 0.290 120.183 120.200 -0.510 0.000 2.152 1179 E HA -0.071 4.279 4.350 0.000 0.000 0.192 1179 E C 1.765 178.150 176.600 -0.358 0.000 0.983 1179 E CA 1.049 57.221 56.400 -0.378 0.000 0.818 1179 E CB -1.060 28.439 29.700 -0.335 0.000 0.758 1179 E HN 0.164 nan 8.360 nan 0.000 0.467 1180 S N 1.408 116.835 115.700 -0.455 0.000 2.368 1180 S HA 0.013 4.483 4.470 0.000 0.000 0.224 1180 S C 2.168 176.515 174.600 -0.422 0.000 1.029 1180 S CA 0.876 58.710 58.200 -0.610 0.000 0.988 1180 S CB -0.268 62.398 63.200 -0.891 0.000 0.838 1180 S HN 0.196 nan 8.310 nan 0.000 0.462 1181 L N 1.314 122.345 121.223 -0.320 0.000 2.046 1181 L HA -0.108 4.232 4.340 0.000 0.000 0.208 1181 L C 2.611 179.393 176.870 -0.147 0.000 1.077 1181 L CA 1.353 56.079 54.840 -0.190 0.000 0.747 1181 L CB -0.405 41.547 42.059 -0.177 0.000 0.896 1181 L HN 0.291 nan 8.230 nan 0.000 0.432 1182 K N -0.388 119.912 120.400 -0.168 0.000 2.062 1182 K HA -0.132 4.188 4.320 0.000 0.000 0.205 1182 K C 0.890 177.426 176.600 -0.106 0.000 1.051 1182 K CA 1.525 57.743 56.287 -0.116 0.000 0.941 1182 K CB 0.234 32.668 32.500 -0.109 0.000 0.719 1182 K HN 0.281 nan 8.250 nan 0.000 0.440 1183 D N -1.559 118.756 120.400 -0.142 0.000 2.469 1183 D HA 0.118 4.758 4.640 0.000 0.000 0.213 1183 D C 0.668 176.898 176.300 -0.115 0.000 1.135 1183 D CA 0.668 54.601 54.000 -0.111 0.000 0.834 1183 D CB 1.240 41.977 40.800 -0.105 0.000 1.009 1183 D HN 0.467 nan 8.370 nan 0.000 0.507 1184 G N 1.363 110.060 108.800 -0.173 0.000 2.189 1184 G HA2 -0.301 3.659 3.960 0.000 0.000 0.267 1184 G HA3 -0.301 3.659 3.960 0.000 0.000 0.267 1184 G C 0.506 175.298 174.900 -0.180 0.000 0.975 1184 G CA 0.446 45.456 45.100 -0.150 0.000 0.644 1184 G HN 0.304 nan 8.290 nan 0.000 0.537 1185 V N 0.387 120.158 119.914 -0.239 0.000 2.607 1185 V HA 0.700 4.820 4.120 0.000 0.000 0.289 1185 V C 0.101 176.004 176.094 -0.318 0.000 1.053 1185 V CA -0.138 62.077 62.300 -0.140 0.000 0.996 1185 V CB 1.195 32.966 31.823 -0.087 0.000 0.995 1185 V HN 0.205 nan 8.190 nan 0.000 0.476 1186 F N 2.383 122.323 119.950 -0.016 0.000 2.529 1186 F HA 0.685 5.212 4.527 0.000 0.000 0.320 1186 F C 0.407 176.207 175.800 -0.000 0.000 1.118 1186 F CA -0.399 57.600 58.000 -0.002 0.000 0.915 1186 F CB 2.322 41.324 39.000 0.002 0.000 1.161 1186 F HN 0.608 nan 8.300 nan 0.000 0.445 1187 T N -2.608 112.059 114.554 0.188 0.000 2.804 1187 T HA 0.223 4.573 4.350 0.000 0.000 0.290 1187 T C 0.602 175.402 174.700 0.167 0.000 1.099 1187 T CA -0.295 61.883 62.100 0.129 0.000 1.011 1187 T CB 1.443 70.356 68.868 0.075 0.000 1.291 1187 T HN 0.467 nan 8.240 nan 0.000 0.523 1188 T N 0.109 114.757 114.554 0.157 0.000 2.881 1188 T HA -0.053 4.298 4.350 0.000 0.000 0.270 1188 T C 1.873 176.705 174.700 0.220 0.000 1.068 1188 T CA 2.044 64.290 62.100 0.243 0.000 1.131 1188 T CB -0.997 68.015 68.868 0.239 0.000 0.871 1188 T HN 0.588 nan 8.240 nan 0.000 0.479 1189 S N 1.118 116.896 115.700 0.130 0.000 2.402 1189 S HA -0.084 4.386 4.470 0.000 0.000 0.229 1189 S C 2.380 177.076 174.600 0.160 0.000 1.021 1189 S CA 1.382 59.637 58.200 0.092 0.000 0.974 1189 S CB -0.324 62.906 63.200 0.050 0.000 0.800 1189 S HN 0.822 nan 8.310 nan 0.000 0.484 1190 S N 1.588 117.394 115.700 0.177 0.000 2.436 1190 S HA -0.043 4.427 4.470 0.000 0.000 0.228 1190 S C 1.255 176.077 174.600 0.371 0.000 1.014 1190 S CA 0.732 59.063 58.200 0.218 0.000 0.950 1190 S CB -0.346 62.917 63.200 0.105 0.000 0.784 1190 S HN 0.241 nan 8.310 nan 0.000 0.504 1191 D N 1.440 122.066 120.400 0.377 0.000 2.144 1191 D HA -0.020 4.620 4.640 0.000 0.000 0.199 1191 D C 1.751 178.395 176.300 0.574 0.000 0.984 1191 D CA 1.073 55.364 54.000 0.485 0.000 0.834 1191 D CB -0.384 40.732 40.800 0.527 0.000 0.955 1191 D HN 0.373 nan 8.370 nan 0.000 0.465 1192 M N -0.039 119.766 119.600 0.341 0.000 2.117 1192 M HA -0.124 4.356 4.480 0.000 0.000 0.262 1192 M C 1.840 178.321 176.300 0.302 0.000 1.065 1192 M CA 1.253 56.600 55.300 0.078 0.000 1.114 1192 M CB -0.625 31.845 32.600 -0.216 0.000 1.361 1192 M HN 0.245 nan 8.290 nan 0.000 0.408 1193 W N 0.416 121.846 121.300 0.217 0.000 2.335 1193 W HA -0.204 4.456 4.660 0.000 0.000 0.311 1193 W C 1.928 178.700 176.519 0.422 0.000 1.213 1193 W CA 2.122 59.658 57.345 0.319 0.000 1.274 1193 W CB -1.092 28.518 29.460 0.250 0.000 1.148 1193 W HN 0.278 nan 8.180 nan 0.000 0.498 1194 S N 0.765 116.880 115.700 0.691 0.000 2.382 1194 S HA -0.237 4.234 4.470 0.000 0.000 0.228 1194 S C 1.557 176.444 174.600 0.478 0.000 1.027 1194 S CA 1.619 60.194 58.200 0.624 0.000 0.991 1194 S CB -1.100 62.442 63.200 0.570 0.000 0.823 1194 S HN 0.353 nan 8.310 nan 0.000 0.469 1195 F N 2.686 122.834 119.950 0.330 0.000 2.161 1195 F HA -0.052 4.475 4.527 0.000 0.000 0.300 1195 F C 2.223 178.104 175.800 0.136 0.000 1.089 1195 F CA 1.289 59.446 58.000 0.261 0.000 1.282 1195 F CB -0.956 38.255 39.000 0.353 0.000 1.010 1195 F HN 0.206 nan 8.300 nan 0.000 0.485 1196 G N -0.005 108.779 108.800 -0.027 0.000 2.418 1196 G HA2 -0.215 3.745 3.960 0.000 0.000 0.217 1196 G HA3 -0.215 3.745 3.960 0.000 0.000 0.217 1196 G C 1.718 176.663 174.900 0.075 0.000 1.158 1196 G CA 1.196 46.088 45.100 -0.347 0.000 0.771 1196 G HN 0.350 nan 8.290 nan 0.000 0.545 1197 V N 0.567 120.685 119.914 0.340 0.000 2.407 1197 V HA -0.160 3.960 4.120 0.000 0.000 0.248 1197 V C 3.004 179.284 176.094 0.310 0.000 1.055 1197 V CA 1.367 63.849 62.300 0.303 0.000 1.049 1197 V CB -0.314 31.544 31.823 0.058 0.000 0.662 1197 V HN 0.250 nan 8.190 nan 0.000 0.455 1198 V N -0.193 119.847 119.914 0.209 0.000 2.343 1198 V HA -0.248 3.872 4.120 0.000 0.000 0.247 1198 V C 2.324 178.417 176.094 -0.003 0.000 1.051 1198 V CA 1.872 64.253 62.300 0.136 0.000 1.036 1198 V CB -0.526 31.322 31.823 0.042 0.000 0.654 1198 V HN 0.441 nan 8.190 nan 0.000 0.451 1199 L N -1.433 119.675 121.223 -0.192 0.000 2.012 1199 L HA -0.240 4.100 4.340 0.000 0.000 0.210 1199 L C 2.341 179.196 176.870 -0.025 0.000 1.073 1199 L CA 2.358 57.073 54.840 -0.208 0.000 0.748 1199 L CB -0.588 41.256 42.059 -0.359 0.000 0.891 1199 L HN 0.550 nan 8.230 nan 0.000 0.431 1200 W N 1.403 122.666 121.300 -0.062 0.000 2.363 1200 W HA -0.200 4.460 4.660 0.000 0.000 0.296 1200 W C 2.333 178.836 176.519 -0.027 0.000 1.212 1200 W CA 1.580 58.933 57.345 0.012 0.000 1.260 1200 W CB 0.021 29.563 29.460 0.136 0.000 1.131 1200 W HN 0.110 nan 8.180 nan 0.000 0.530 1201 E N 0.075 120.368 120.200 0.155 0.000 2.150 1201 E HA -0.207 4.143 4.350 0.000 0.000 0.193 1201 E C 2.064 178.565 176.600 -0.164 0.000 0.985 1201 E CA 1.547 57.936 56.400 -0.019 0.000 0.814 1201 E CB -0.364 29.464 29.700 0.212 0.000 0.752 1201 E HN 0.393 nan 8.360 nan 0.000 0.466 1202 I N 1.216 121.720 120.570 -0.111 0.000 2.252 1202 I HA -0.249 3.921 4.170 0.000 0.000 0.245 1202 I C 2.815 178.815 176.117 -0.196 0.000 1.102 1202 I CA 1.541 62.772 61.300 -0.115 0.000 1.385 1202 I CB -0.505 37.449 38.000 -0.078 0.000 1.064 1202 I HN 0.219 nan 8.210 nan 0.000 0.414 1203 T N -2.007 112.385 114.554 -0.270 0.000 2.821 1203 T HA -0.113 4.237 4.350 0.000 0.000 0.267 1203 T C 1.737 176.193 174.700 -0.406 0.000 1.046 1203 T CA 1.280 63.198 62.100 -0.304 0.000 1.139 1203 T CB -0.517 68.179 68.868 -0.286 0.000 0.871 1203 T HN 0.409 nan 8.240 nan 0.000 0.454 1204 S N 1.107 116.421 115.700 -0.643 0.000 2.577 1204 S HA 0.356 4.826 4.470 0.000 0.000 0.219 1204 S C 0.919 175.283 174.600 -0.394 0.000 0.962 1204 S CA -0.436 57.376 58.200 -0.646 0.000 0.921 1204 S CB -0.893 61.568 63.200 -1.231 0.000 0.789 1204 S HN 0.560 nan 8.310 nan 0.000 0.497 1205 L N 0.304 121.354 121.223 -0.289 0.000 3.634 1205 L HA -0.297 4.043 4.340 0.000 0.000 0.423 1205 L C 0.806 177.594 176.870 -0.136 0.000 1.253 1205 L CA 0.095 54.827 54.840 -0.180 0.000 0.885 1205 L CB -2.532 39.434 42.059 -0.154 0.000 1.789 1205 L HN 0.815 nan 8.230 nan 0.000 0.904 1206 A N -0.927 121.805 122.820 -0.146 0.000 2.800 1206 A HA -0.200 4.120 4.320 0.000 0.000 0.292 1206 A C 0.796 178.395 177.584 0.025 0.000 1.474 1206 A CA 1.674 53.696 52.037 -0.025 0.000 0.744 1206 A CB -1.201 17.812 19.000 0.022 0.000 1.044 1206 A HN 0.696 nan 8.150 nan 0.000 0.489 1207 E N 0.029 120.199 120.200 -0.050 0.000 2.397 1207 E HA 0.271 4.621 4.350 0.000 0.000 0.254 1207 E C 0.333 177.098 176.600 0.275 0.000 1.231 1207 E CA -0.588 55.861 56.400 0.081 0.000 0.954 1207 E CB 0.234 29.975 29.700 0.069 0.000 1.024 1207 E HN 0.535 nan 8.360 nan 0.000 0.481 1208 Q N 1.375 121.307 119.800 0.220 0.000 2.296 1208 Q HA 0.211 4.551 4.340 0.000 0.000 0.262 1208 Q C -2.250 173.759 176.000 0.014 0.000 0.981 1208 Q CA -1.913 53.982 55.803 0.154 0.000 0.905 1208 Q CB 0.431 29.235 28.738 0.110 0.000 1.186 1208 Q HN 0.181 nan 8.270 nan 0.000 0.399 1209 P HA -0.063 nan 4.420 nan 0.000 0.265 1209 P C -0.927 176.023 177.300 -0.582 0.000 1.193 1209 P CA 0.168 62.677 63.100 -0.985 0.000 0.765 1209 P CB 0.125 31.105 31.700 -1.200 0.000 0.823 1210 Y N 0.089 120.065 120.300 -0.540 0.000 3.305 1210 Y HA -0.306 4.244 4.550 0.000 0.000 0.212 1210 Y C 1.837 177.578 175.900 -0.264 0.000 1.248 1210 Y CA 0.941 58.793 58.100 -0.413 0.000 1.359 1210 Y CB -2.988 35.214 38.460 -0.430 0.000 1.407 1210 Y HN 0.498 nan 8.280 nan 0.000 0.572 1211 Q N -0.109 119.638 119.800 -0.089 0.000 2.268 1211 Q HA -0.173 4.168 4.340 0.000 0.000 0.210 1211 Q C 2.104 178.079 176.000 -0.042 0.000 0.988 1211 Q CA 1.707 57.492 55.803 -0.029 0.000 0.883 1211 Q CB -0.562 28.187 28.738 0.018 0.000 0.911 1211 Q HN 0.676 nan 8.270 nan 0.000 0.430 1212 G N 0.856 109.613 108.800 -0.073 0.000 2.813 1212 G HA2 0.207 4.167 3.960 0.000 0.000 0.209 1212 G HA3 0.207 4.167 3.960 0.000 0.000 0.209 1212 G C 0.358 175.196 174.900 -0.102 0.000 1.150 1212 G CA -0.215 44.837 45.100 -0.081 0.000 0.785 1212 G HN 0.161 nan 8.290 nan 0.000 0.535 1213 L N 1.189 122.341 121.223 -0.118 0.000 2.334 1213 L HA 0.468 4.808 4.340 0.000 0.000 0.273 1213 L C 0.562 177.356 176.870 -0.125 0.000 1.013 1213 L CA -0.935 53.818 54.840 -0.144 0.000 0.816 1213 L CB 2.026 43.953 42.059 -0.220 0.000 1.278 1213 L HN 0.095 nan 8.230 nan 0.000 0.431 1214 S N 0.090 115.710 115.700 -0.132 0.000 2.655 1214 S HA 0.206 4.676 4.470 0.000 0.000 0.265 1214 S C 0.789 175.253 174.600 -0.227 0.000 1.240 1214 S CA -0.729 57.379 58.200 -0.153 0.000 0.986 1214 S CB 0.881 64.001 63.200 -0.133 0.000 0.985 1214 S HN 0.610 nan 8.310 nan 0.000 0.562 1215 N N 1.283 119.766 118.700 -0.362 0.000 2.104 1215 N HA -0.123 4.617 4.740 0.000 0.000 0.190 1215 N C 1.553 176.804 175.510 -0.431 0.000 1.024 1215 N CA 1.344 54.050 53.050 -0.573 0.000 0.853 1215 N CB -0.538 37.091 38.487 -1.431 0.000 1.008 1215 N HN 0.640 nan 8.380 nan 0.000 0.424 1216 E N 1.315 121.313 120.200 -0.337 0.000 2.110 1216 E HA -0.134 4.216 4.350 0.000 0.000 0.193 1216 E C 1.948 178.492 176.600 -0.094 0.000 0.988 1216 E CA 0.797 57.129 56.400 -0.112 0.000 0.804 1216 E CB -0.151 29.525 29.700 -0.040 0.000 0.745 1216 E HN 0.519 nan 8.360 nan 0.000 0.458 1217 Q N 0.107 119.833 119.800 -0.123 0.000 2.119 1217 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 1217 Q C 2.360 178.285 176.000 -0.125 0.000 0.972 1217 Q CA 1.097 56.837 55.803 -0.105 0.000 0.847 1217 Q CB 0.021 28.686 28.738 -0.122 0.000 0.903 1217 Q HN 0.088 nan 8.270 nan 0.000 0.433 1218 V N 1.326 121.119 119.914 -0.203 0.000 2.287 1218 V HA -0.290 3.830 4.120 0.000 0.000 0.248 1218 V C 2.207 178.185 176.094 -0.193 0.000 1.053 1218 V CA 1.623 63.741 62.300 -0.303 0.000 1.027 1218 V CB -0.604 31.002 31.823 -0.362 0.000 0.646 1218 V HN 0.371 nan 8.190 nan 0.000 0.447 1219 L N -0.130 121.022 121.223 -0.118 0.000 2.013 1219 L HA -0.275 4.065 4.340 0.000 0.000 0.212 1219 L C 2.583 179.420 176.870 -0.054 0.000 1.073 1219 L CA 2.413 57.214 54.840 -0.066 0.000 0.753 1219 L CB -0.767 41.291 42.059 -0.001 0.000 0.890 1219 L HN 0.342 nan 8.230 nan 0.000 0.432 1220 K N -0.044 120.338 120.400 -0.029 0.000 2.025 1220 K HA -0.221 4.099 4.320 0.000 0.000 0.207 1220 K C 2.235 178.835 176.600 0.001 0.000 1.049 1220 K CA 1.384 57.663 56.287 -0.012 0.000 0.933 1220 K CB -0.251 32.249 32.500 -0.001 0.000 0.714 1220 K HN 0.051 nan 8.250 nan 0.000 0.438 1221 F N 1.341 121.200 119.950 -0.152 0.000 2.069 1221 F HA -0.240 4.288 4.527 0.000 0.000 0.298 1221 F C 1.821 177.537 175.800 -0.140 0.000 1.113 1221 F CA 1.657 59.560 58.000 -0.161 0.000 1.214 1221 F CB -0.452 38.409 39.000 -0.231 0.000 0.978 1221 F HN -0.171 nan 8.300 nan 0.000 0.474 1222 V N 0.616 120.462 119.914 -0.113 0.000 2.358 1222 V HA -0.334 3.787 4.120 0.000 0.000 0.246 1222 V C 2.444 178.473 176.094 -0.107 0.000 1.047 1222 V CA 2.179 64.378 62.300 -0.168 0.000 1.035 1222 V CB -0.648 31.057 31.823 -0.198 0.000 0.658 1222 V HN 0.398 nan 8.190 nan 0.000 0.452 1223 M N -0.330 119.222 119.600 -0.081 0.000 2.296 1223 M HA -0.141 4.340 4.480 0.000 0.000 0.265 1223 M C 1.482 177.813 176.300 0.052 0.000 1.064 1223 M CA 1.323 56.626 55.300 0.005 0.000 1.109 1223 M CB -0.453 32.132 32.600 -0.025 0.000 1.396 1223 M HN 0.305 nan 8.290 nan 0.000 0.430 1224 D N -0.314 120.039 120.400 -0.079 0.000 2.363 1224 D HA 0.075 4.715 4.640 0.000 0.000 0.220 1224 D C 1.429 177.563 176.300 -0.275 0.000 0.994 1224 D CA 1.003 54.905 54.000 -0.164 0.000 0.890 1224 D CB 0.290 40.991 40.800 -0.166 0.000 0.906 1224 D HN 0.540 nan 8.370 nan 0.000 0.530 1225 G N -0.251 108.437 108.800 -0.185 0.000 2.184 1225 G HA2 -0.145 3.815 3.960 0.000 0.000 0.206 1225 G HA3 -0.145 3.815 3.960 0.000 0.000 0.206 1225 G C 0.755 175.575 174.900 -0.134 0.000 0.995 1225 G CA -0.137 44.876 45.100 -0.145 0.000 0.651 1225 G HN 0.567 nan 8.290 nan 0.000 0.511 1226 G N -0.134 108.327 108.800 -0.566 0.000 2.594 1226 G HA2 0.682 4.642 3.960 0.000 0.000 0.243 1226 G HA3 0.682 4.642 3.960 0.000 0.000 0.243 1226 G C -0.234 174.483 174.900 -0.305 0.000 1.229 1226 G CA 0.433 44.832 45.100 -1.169 0.000 0.843 1226 G HN 1.574 nan 8.290 nan 0.000 0.578 1227 Y N -1.726 118.510 120.300 -0.107 0.000 2.670 1227 Y HA 0.619 5.169 4.550 0.000 0.000 0.334 1227 Y C -0.530 175.305 175.900 -0.108 0.000 1.185 1227 Y CA -1.732 56.326 58.100 -0.070 0.000 1.053 1227 Y CB 0.723 39.068 38.460 -0.191 0.000 1.298 1227 Y HN 0.481 nan 8.280 nan 0.000 0.459 1228 L N 2.547 123.416 121.223 -0.590 0.000 2.483 1228 L HA 0.129 4.469 4.340 0.000 0.000 0.276 1228 L C -0.093 176.678 176.870 -0.165 0.000 1.213 1228 L CA 0.083 54.492 54.840 -0.720 0.000 0.843 1228 L CB 0.129 41.291 42.059 -1.496 0.000 1.107 1228 L HN 0.599 nan 8.230 nan 0.000 0.487 1229 D N 1.939 122.297 120.400 -0.071 0.000 2.424 1229 D HA -0.020 4.620 4.640 0.000 0.000 0.244 1229 D C 0.143 176.607 176.300 0.273 0.000 1.134 1229 D CA 0.028 54.092 54.000 0.108 0.000 0.881 1229 D CB 0.775 41.618 40.800 0.073 0.000 1.191 1229 D HN 0.399 nan 8.370 nan 0.000 0.445 1230 Q N 3.498 123.459 119.800 0.268 0.000 2.269 1230 Q HA 0.029 4.369 4.340 0.000 0.000 0.300 1230 Q C -2.046 174.065 176.000 0.184 0.000 1.070 1230 Q CA -1.031 54.925 55.803 0.254 0.000 0.957 1230 Q CB 0.569 29.415 28.738 0.180 0.000 1.131 1230 Q HN 0.203 nan 8.270 nan 0.000 0.377 1231 P HA 0.023 nan 4.420 nan 0.000 0.269 1231 P C -0.909 176.406 177.300 0.024 0.000 1.215 1231 P CA -0.042 63.097 63.100 0.064 0.000 0.780 1231 P CB 0.665 32.362 31.700 -0.006 0.000 0.898 1232 D N 0.998 121.396 120.400 -0.005 0.000 2.329 1232 D HA 0.059 4.699 4.640 0.000 0.000 0.246 1232 D C 0.371 176.655 176.300 -0.027 0.000 1.111 1232 D CA -0.066 53.928 54.000 -0.011 0.000 0.941 1232 D CB -0.189 40.600 40.800 -0.018 0.000 1.169 1232 D HN 0.375 nan 8.370 nan 0.000 0.441 1233 N N -0.612 118.075 118.700 -0.022 0.000 2.699 1233 N HA -0.204 4.536 4.740 0.000 0.000 0.256 1233 N C -0.953 174.536 175.510 -0.035 0.000 0.993 1233 N CA 0.206 53.239 53.050 -0.029 0.000 0.759 1233 N CB -0.874 37.592 38.487 -0.035 0.000 0.906 1233 N HN 0.270 nan 8.380 nan 0.000 0.541 1234 C N 0.454 119.737 119.300 -0.029 0.000 2.481 1234 C HA 0.493 4.953 4.460 0.000 0.000 0.324 1234 C C -2.202 172.771 174.990 -0.028 0.000 1.170 1234 C CA -1.803 57.194 59.018 -0.035 0.000 1.361 1234 C CB 0.892 28.610 27.740 -0.037 0.000 1.977 1234 C HN 0.249 nan 8.230 nan 0.000 0.459 1235 P HA 0.081 nan 4.420 nan 0.000 0.266 1235 P C 0.663 177.946 177.300 -0.029 0.000 1.193 1235 P CA 0.458 63.540 63.100 -0.030 0.000 0.770 1235 P CB 0.500 32.180 31.700 -0.035 0.000 0.836 1236 E N 2.202 122.388 120.200 -0.023 0.000 2.118 1236 E HA -0.301 4.049 4.350 0.000 0.000 0.195 1236 E C 2.258 178.838 176.600 -0.033 0.000 0.992 1236 E CA 1.604 57.991 56.400 -0.021 0.000 0.804 1236 E CB -0.008 29.683 29.700 -0.015 0.000 0.741 1236 E HN 0.368 nan 8.360 nan 0.000 0.458 1237 R N 0.231 120.709 120.500 -0.037 0.000 2.105 1237 R HA -0.115 4.225 4.340 0.000 0.000 0.239 1237 R C 2.310 178.573 176.300 -0.061 0.000 1.135 1237 R CA 1.699 57.771 56.100 -0.046 0.000 0.967 1237 R CB -1.415 28.860 30.300 -0.043 0.000 0.861 1237 R HN 0.121 nan 8.270 nan 0.000 0.442 1238 V N 1.206 121.082 119.914 -0.062 0.000 2.283 1238 V HA -0.222 3.898 4.120 0.000 0.000 0.243 1238 V C 3.061 179.093 176.094 -0.104 0.000 1.039 1238 V CA 2.348 64.600 62.300 -0.080 0.000 1.016 1238 V CB -0.613 31.166 31.823 -0.072 0.000 0.650 1238 V HN 0.798 nan 8.190 nan 0.000 0.449 1239 T N -1.690 112.819 114.554 -0.075 0.000 2.759 1239 T HA -0.253 4.097 4.350 0.000 0.000 0.269 1239 T C 1.484 176.119 174.700 -0.107 0.000 1.042 1239 T CA 1.887 63.944 62.100 -0.070 0.000 1.140 1239 T CB -0.549 68.315 68.868 -0.007 0.000 0.864 1239 T HN 0.390 nan 8.240 nan 0.000 0.455 1240 D N 0.921 121.268 120.400 -0.089 0.000 2.144 1240 D HA 0.060 4.700 4.640 0.000 0.000 0.200 1240 D C 1.961 178.169 176.300 -0.154 0.000 0.978 1240 D CA 0.469 54.411 54.000 -0.097 0.000 0.833 1240 D CB -0.404 40.357 40.800 -0.065 0.000 0.961 1240 D HN 0.345 nan 8.370 nan 0.000 0.470 1241 L N -0.325 120.803 121.223 -0.159 0.000 2.056 1241 L HA -0.120 4.220 4.340 0.000 0.000 0.207 1241 L C 2.198 178.877 176.870 -0.317 0.000 1.078 1241 L CA 0.963 55.697 54.840 -0.178 0.000 0.749 1241 L CB -0.069 41.917 42.059 -0.121 0.000 0.901 1241 L HN 0.057 nan 8.230 nan 0.000 0.433 1242 M N -0.925 118.417 119.600 -0.430 0.000 2.086 1242 M HA -0.263 4.217 4.480 0.000 0.000 0.261 1242 M C 2.450 178.128 176.300 -1.036 0.000 1.067 1242 M CA 1.725 56.502 55.300 -0.870 0.000 1.116 1242 M CB -0.193 31.917 32.600 -0.818 0.000 1.348 1242 M HN 0.149 nan 8.290 nan 0.000 0.407 1243 R N -0.155 120.021 120.500 -0.541 0.000 2.091 1243 R HA -0.150 4.190 4.340 0.000 0.000 0.238 1243 R C 2.038 178.119 176.300 -0.366 0.000 1.136 1243 R CA 1.725 57.592 56.100 -0.389 0.000 0.959 1243 R CB -0.144 30.047 30.300 -0.183 0.000 0.856 1243 R HN 0.392 nan 8.270 nan 0.000 0.437 1244 M N -0.829 118.591 119.600 -0.300 0.000 2.117 1244 M HA -0.235 4.245 4.480 0.000 0.000 0.262 1244 M C 2.476 178.642 176.300 -0.223 0.000 1.065 1244 M CA 1.352 56.529 55.300 -0.204 0.000 1.114 1244 M CB -0.245 32.260 32.600 -0.159 0.000 1.361 1244 M HN 0.289 nan 8.290 nan 0.000 0.408 1245 C N -0.739 118.334 119.300 -0.379 0.000 2.425 1245 C HA -0.153 4.307 4.460 0.000 0.000 0.277 1245 C C 1.800 176.631 174.990 -0.265 0.000 1.280 1245 C CA 0.355 59.158 59.018 -0.358 0.000 1.744 1245 C CB -1.057 26.341 27.740 -0.570 0.000 1.989 1245 C HN 0.660 nan 8.230 nan 0.000 0.491 1246 W N 0.739 121.774 121.300 -0.442 0.000 3.391 1246 W HA 0.277 4.938 4.660 0.001 0.000 0.372 1246 W C 0.764 177.190 176.519 -0.155 0.000 1.171 1246 W CA -0.414 56.534 57.345 -0.662 0.000 1.862 1246 W CB -1.256 27.631 29.460 -0.956 0.000 1.048 1246 W HN 0.391 nan 8.180 nan 0.000 0.726 1247 Q N 0.292 120.169 119.800 0.129 0.000 2.330 1247 Q HA -0.065 4.275 4.340 0.000 0.000 0.279 1247 Q C 1.117 177.318 176.000 0.334 0.000 1.024 1247 Q CA 0.059 55.962 55.803 0.166 0.000 0.900 1247 Q CB 0.609 29.399 28.738 0.087 0.000 1.221 1247 Q HN 0.197 nan 8.270 nan 0.000 0.396 1248 F N 2.826 122.886 119.950 0.182 0.000 2.102 1248 F HA -0.175 4.352 4.527 0.000 0.000 0.298 1248 F C 1.079 176.932 175.800 0.089 0.000 1.105 1248 F CA 1.092 59.184 58.000 0.153 0.000 1.239 1248 F CB 0.177 39.230 39.000 0.089 0.000 0.991 1248 F HN 0.498 nan 8.300 nan 0.000 0.474 1249 N N 1.674 120.455 118.700 0.135 0.000 2.411 1249 N HA 0.075 4.815 4.740 0.000 0.000 0.259 1249 N C -1.798 173.715 175.510 0.005 0.000 1.103 1249 N CA -2.216 50.849 53.050 0.025 0.000 0.954 1249 N CB 0.987 39.527 38.487 0.088 0.000 1.085 1249 N HN 0.002 nan 8.380 nan 0.000 0.485 1250 P HA -0.174 nan 4.420 nan 0.000 0.218 1250 P C 0.635 177.940 177.300 0.008 0.000 1.148 1250 P CA 1.224 64.318 63.100 -0.009 0.000 0.822 1250 P CB 0.405 32.079 31.700 -0.043 0.000 0.784 1251 K N -0.783 119.619 120.400 0.004 0.000 2.209 1251 K HA -0.001 4.319 4.320 0.000 0.000 0.204 1251 K C 1.837 178.445 176.600 0.012 0.000 1.048 1251 K CA 0.949 57.241 56.287 0.009 0.000 0.940 1251 K CB -0.520 31.986 32.500 0.010 0.000 0.729 1251 K HN 0.261 nan 8.250 nan 0.000 0.451 1252 M N 0.602 120.215 119.600 0.022 0.000 2.618 1252 M HA 0.027 4.507 4.480 0.000 0.000 0.240 1252 M C 0.354 176.656 176.300 0.003 0.000 1.123 1252 M CA 0.421 55.732 55.300 0.019 0.000 1.060 1252 M CB -0.330 32.293 32.600 0.038 0.000 1.535 1252 M HN -0.045 nan 8.290 nan 0.000 0.507 1253 R N 0.817 121.318 120.500 0.002 0.000 2.531 1253 R HA 0.344 4.685 4.340 0.000 0.000 0.273 1253 R C -2.186 174.073 176.300 -0.067 0.000 1.070 1253 R CA -1.576 54.507 56.100 -0.028 0.000 1.112 1253 R CB -0.196 30.105 30.300 0.002 0.000 1.049 1253 R HN -0.011 nan 8.270 nan 0.000 0.508 1254 P HA 0.009 nan 4.420 nan 0.000 0.273 1254 P C -0.346 176.837 177.300 -0.195 0.000 1.250 1254 P CA -0.245 62.778 63.100 -0.129 0.000 0.793 1254 P CB 0.492 32.101 31.700 -0.151 0.000 1.011 1255 T N -2.889 111.570 114.554 -0.160 0.000 2.936 1255 T HA 0.364 4.715 4.350 0.000 0.000 0.282 1255 T C 0.786 175.333 174.700 -0.255 0.000 1.003 1255 T CA -0.321 61.678 62.100 -0.168 0.000 1.005 1255 T CB 0.196 69.061 68.868 -0.005 0.000 1.097 1255 T HN 0.053 nan 8.240 nan 0.000 0.532 1256 F N -0.146 119.782 119.950 -0.037 0.000 2.234 1256 F HA 0.131 4.659 4.527 0.000 0.000 0.299 1256 F C 2.241 178.042 175.800 0.003 0.000 1.087 1256 F CA 0.795 58.731 58.000 -0.107 0.000 1.340 1256 F CB -0.689 38.257 39.000 -0.090 0.000 1.031 1256 F HN 0.401 nan 8.300 nan 0.000 0.500 1257 L N -0.325 121.060 121.223 0.269 0.000 2.046 1257 L HA -0.209 4.131 4.340 0.000 0.000 0.208 1257 L C 2.291 179.307 176.870 0.244 0.000 1.077 1257 L CA 1.465 56.512 54.840 0.344 0.000 0.747 1257 L CB -0.580 41.667 42.059 0.314 0.000 0.896 1257 L HN 0.160 nan 8.230 nan 0.000 0.432 1258 E N -0.050 120.217 120.200 0.111 0.000 2.110 1258 E HA -0.215 4.135 4.350 0.000 0.000 0.193 1258 E C 2.240 178.826 176.600 -0.024 0.000 0.988 1258 E CA 0.920 57.349 56.400 0.047 0.000 0.804 1258 E CB 0.091 29.791 29.700 0.000 0.000 0.745 1258 E HN 0.360 nan 8.360 nan 0.000 0.458 1259 I N 0.696 121.223 120.570 -0.072 0.000 2.179 1259 I HA -0.227 3.943 4.170 0.000 0.000 0.242 1259 I C 2.378 178.423 176.117 -0.120 0.000 1.088 1259 I CA 1.116 62.353 61.300 -0.104 0.000 1.357 1259 I CB -0.964 36.917 38.000 -0.198 0.000 1.051 1259 I HN 0.041 nan 8.210 nan 0.000 0.409 1260 V N 1.385 121.215 119.914 -0.141 0.000 2.343 1260 V HA -0.283 3.838 4.120 0.000 0.000 0.247 1260 V C 2.321 178.051 176.094 -0.607 0.000 1.051 1260 V CA 2.173 64.264 62.300 -0.350 0.000 1.036 1260 V CB -1.116 30.493 31.823 -0.356 0.000 0.654 1260 V HN 0.433 nan 8.190 nan 0.000 0.451 1261 N N 0.463 118.868 118.700 -0.491 0.000 2.094 1261 N HA -0.188 4.552 4.740 0.000 0.000 0.191 1261 N C 1.625 177.035 175.510 -0.166 0.000 1.023 1261 N CA 1.652 54.541 53.050 -0.268 0.000 0.857 1261 N CB -0.359 38.194 38.487 0.111 0.000 1.013 1261 N HN 0.471 nan 8.380 nan 0.000 0.426 1262 L N -0.498 120.647 121.223 -0.130 0.000 2.275 1262 L HA -0.069 4.271 4.340 0.000 0.000 0.215 1262 L C 1.337 178.137 176.870 -0.117 0.000 1.119 1262 L CA 0.742 55.525 54.840 -0.095 0.000 0.790 1262 L CB -0.118 41.897 42.059 -0.073 0.000 0.919 1262 L HN 0.284 nan 8.230 nan 0.000 0.443 1263 L N -1.321 119.796 121.223 -0.177 0.000 2.731 1263 L HA 0.059 4.399 4.340 0.000 0.000 0.240 1263 L C 2.236 178.964 176.870 -0.238 0.000 1.120 1263 L CA -0.067 54.663 54.840 -0.184 0.000 0.913 1263 L CB -0.135 41.815 42.059 -0.182 0.000 1.213 1263 L HN 0.139 nan 8.230 nan 0.000 0.515 1264 K N 0.171 120.403 120.400 -0.279 0.000 2.160 1264 K HA -0.216 4.104 4.320 0.000 0.000 0.206 1264 K C 0.858 177.405 176.600 -0.089 0.000 1.047 1264 K CA 1.934 58.084 56.287 -0.228 0.000 0.930 1264 K CB -0.300 32.093 32.500 -0.179 0.000 0.720 1264 K HN 0.215 nan 8.250 nan 0.000 0.450 1265 D N 1.881 122.243 120.400 -0.064 0.000 2.350 1265 D HA -0.091 4.549 4.640 0.000 0.000 0.216 1265 D C -0.213 176.061 176.300 -0.044 0.000 0.968 1265 D CA 1.259 55.243 54.000 -0.027 0.000 0.894 1265 D CB -0.024 40.765 40.800 -0.018 0.000 0.909 1265 D HN 0.657 nan 8.370 nan 0.000 0.520 1266 D N -0.082 120.271 120.400 -0.077 0.000 2.938 1266 D HA 0.250 4.890 4.640 0.000 0.000 0.369 1266 D C 0.047 176.296 176.300 -0.084 0.000 1.301 1266 D CA -0.279 53.680 54.000 -0.068 0.000 0.805 1266 D CB 0.042 40.806 40.800 -0.060 0.000 1.161 1266 D HN 0.011 nan 8.370 nan 0.000 0.474 1267 L N -0.512 120.656 121.223 -0.092 0.000 2.286 1267 L HA 0.436 4.776 4.340 0.000 0.000 0.265 1267 L C 0.524 177.416 176.870 0.036 0.000 1.012 1267 L CA -1.455 53.335 54.840 -0.085 0.000 0.818 1267 L CB 1.389 43.271 42.059 -0.295 0.000 1.337 1267 L HN 0.278 nan 8.230 nan 0.000 0.438 1268 H N 3.138 122.228 119.070 0.033 0.000 3.001 1268 H HA 0.000 4.557 4.556 0.001 0.000 0.334 1268 H C -1.744 173.649 175.328 0.108 0.000 1.034 1268 H CA -0.793 55.304 56.048 0.081 0.000 1.420 1268 H CB 1.443 31.278 29.762 0.120 0.000 1.405 1268 H HN 0.314 nan 8.280 nan 0.000 0.593 1269 P HA -0.193 nan 4.420 nan 0.000 0.218 1269 P C 1.323 178.705 177.300 0.136 0.000 1.146 1269 P CA 1.749 64.819 63.100 -0.051 0.000 0.813 1269 P CB 0.090 31.690 31.700 -0.166 0.000 0.778 1270 S N -1.641 114.296 115.700 0.394 0.000 2.453 1270 S HA -0.137 4.333 4.470 0.000 0.000 0.231 1270 S C 1.860 176.585 174.600 0.209 0.000 1.005 1270 S CA 0.107 58.471 58.200 0.272 0.000 0.949 1270 S CB -1.663 61.690 63.200 0.255 0.000 0.774 1270 S HN -0.030 nan 8.310 nan 0.000 0.510 1271 F N 3.884 123.940 119.950 0.176 0.000 2.063 1271 F HA -0.048 4.479 4.527 0.000 0.000 0.298 1271 F C -1.007 174.882 175.800 0.149 0.000 1.109 1271 F CA 1.591 59.702 58.000 0.185 0.000 1.212 1271 F CB -1.318 37.800 39.000 0.198 0.000 0.973 1271 F HN 0.227 nan 8.300 nan 0.000 0.480 1272 P HA -0.156 nan 4.420 nan 0.000 0.220 1272 P C 0.968 178.220 177.300 -0.079 0.000 1.148 1272 P CA 1.849 64.820 63.100 -0.215 0.000 0.803 1272 P CB -0.119 31.342 31.700 -0.399 0.000 0.782 1273 E N -0.824 119.340 120.200 -0.060 0.000 2.208 1273 E HA -0.069 4.281 4.350 0.000 0.000 0.193 1273 E C 1.491 178.015 176.600 -0.127 0.000 0.988 1273 E CA 1.254 57.611 56.400 -0.072 0.000 0.828 1273 E CB -0.126 29.536 29.700 -0.062 0.000 0.763 1273 E HN 0.256 nan 8.360 nan 0.000 0.478 1274 V N -1.993 117.804 119.914 -0.195 0.000 3.502 1274 V HA 0.163 4.283 4.120 0.000 0.000 0.288 1274 V C 0.676 176.621 176.094 -0.247 0.000 1.461 1274 V CA -0.209 61.913 62.300 -0.296 0.000 1.029 1274 V CB 0.450 31.892 31.823 -0.635 0.000 0.843 1274 V HN 0.087 nan 8.190 nan 0.000 0.438 1275 S N 0.130 115.689 115.700 -0.235 0.000 2.592 1275 S HA 0.381 4.851 4.470 0.000 0.000 0.271 1275 S C 0.638 175.301 174.600 0.105 0.000 1.326 1275 S CA 0.073 58.186 58.200 -0.146 0.000 1.024 1275 S CB 1.053 63.936 63.200 -0.528 0.000 0.921 1275 S HN 0.473 nan 8.310 nan 0.000 0.527 1276 F N 2.694 122.712 119.950 0.114 0.000 2.186 1276 F HA 0.013 4.540 4.527 0.001 0.000 0.299 1276 F C 1.587 177.488 175.800 0.169 0.000 1.090 1276 F CA 0.791 58.898 58.000 0.179 0.000 1.307 1276 F CB -0.665 38.511 39.000 0.294 0.000 1.019 1276 F HN 0.738 nan 8.300 nan 0.000 0.489 1277 F N 1.185 121.063 119.950 -0.120 0.000 2.063 1277 F HA -0.283 4.244 4.527 -0.000 0.000 0.298 1277 F C 2.079 177.664 175.800 -0.358 0.000 1.109 1277 F CA 2.480 60.316 58.000 -0.273 0.000 1.212 1277 F CB -0.853 38.087 39.000 -0.100 0.000 0.973 1277 F HN 0.095 nan 8.300 nan 0.000 0.480 1278 H N -0.761 118.356 119.070 0.078 0.000 2.536 1278 H HA 0.203 4.759 4.556 0.000 0.000 0.276 1278 H C 0.769 176.037 175.328 -0.099 0.000 1.019 1278 H CA 0.175 56.218 56.048 -0.009 0.000 1.159 1278 H CB -0.295 29.546 29.762 0.131 0.000 1.373 1278 H HN 0.126 nan 8.280 nan 0.000 0.584 1279 S N -0.380 115.265 115.700 -0.092 0.000 2.672 1279 S HA 0.099 4.570 4.470 0.000 0.000 0.276 1279 S C 1.065 175.598 174.600 -0.111 0.000 1.207 1279 S CA -0.845 57.316 58.200 -0.064 0.000 1.002 1279 S CB 1.745 64.942 63.200 -0.006 0.000 0.998 1279 S HN 0.378 nan 8.310 nan 0.000 0.542 1280 E N 0.430 120.607 120.200 -0.038 0.000 2.338 1280 E HA -0.099 4.251 4.350 0.000 0.000 0.197 1280 E C 1.440 178.025 176.600 -0.024 0.000 1.007 1280 E CA 0.871 57.251 56.400 -0.033 0.000 0.849 1280 E CB -0.088 29.612 29.700 0.000 0.000 0.774 1280 E HN 0.746 nan 8.360 nan 0.000 0.506 1281 E N 0.903 121.110 120.200 0.011 0.000 2.285 1281 E HA -0.081 4.269 4.350 0.000 0.000 0.194 1281 E C 0.610 177.238 176.600 0.047 0.000 0.997 1281 E CA 0.037 56.506 56.400 0.115 0.000 0.845 1281 E CB -0.011 29.888 29.700 0.333 0.000 0.782 1281 E HN 0.037 nan 8.360 nan 0.000 0.491 1282 N N 2.245 120.741 118.700 -0.340 0.000 2.549 1282 N HA -0.004 4.736 4.740 0.000 0.000 0.267 1282 N C -0.926 174.455 175.510 -0.216 0.000 1.182 1282 N CA 0.379 53.087 53.050 -0.571 0.000 1.019 1282 N CB 0.022 37.942 38.487 -0.945 0.000 1.380 1282 N HN -0.016 nan 8.380 nan 0.000 0.505 1283 K N 0.000 120.374 120.400 -0.043 0.000 2.780 1283 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1283 K CA 0.000 56.273 56.287 -0.024 0.000 0.838 1283 K CB 0.000 32.504 32.500 0.007 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543