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 2ri9_1_A DATA FIRST_RESID 1036 DATA SEQUENCE SNQAKADAVK EAFQHAWNGY MKYAFPHDEL TPVSNGHADS RNGWGASAVD DATA SEQUENCE ALSTAVIMGK ADVVNAILEH VADIDFSKTS DTVSLFETTI RYLAGMLSGY DATA SEQUENCE DLLQGPAKNL VDNQDLIDGL LDQSRNLADV LKFAFDTPSG VPYNNINITS DATA SEQUENCE HGNDGATTNG LAVTGTLVLE WTRLSDLTGD EEYAKLSQKA ESYLLKPQPS DATA SEQUENCE SSEPFPGLVG SSININDGQF ADSRVSWNGG DDSFYEYLIK MYVYDPKRFE DATA SEQUENCE TYKDRWVLAA ESTIKHLKSH PKSRPDLTFL SSYSNRNYDL SSQHLTcFDG DATA SEQUENCE GSFLLGGTVL DRQDFIDFGL ELVDGcEATY NSTLTKIGPD SWGWDPKKVP DATA SEQUENCE SDQKEFYEKA GFYISSGSYV LRPEVIESFY YAHRVTGKEI YRDWVWNAFV DATA SEQUENCE AINSTCRTDS GFAAVSDVNK ANGGSKYDNQ ESFLFAEVMK YSYLAHSEDA DATA SEQUENCE AWQVQKGGKN TFVYNTEAHP ISVAR 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 1036 S HA 0.000 nan 4.470 nan 0.000 0.327 1036 S C 0.000 174.504 174.600 -0.160 0.000 1.055 1036 S CA 0.000 58.128 58.200 -0.120 0.000 1.107 1036 S CB 0.000 63.131 63.200 -0.115 0.000 0.593 1037 N N 0.786 119.421 118.700 -0.109 0.000 2.223 1037 N HA -0.108 4.630 4.740 -0.003 0.000 0.185 1037 N C 1.656 177.122 175.510 -0.073 0.000 1.016 1037 N CA 1.306 54.308 53.050 -0.079 0.000 0.863 1037 N CB -0.136 38.334 38.487 -0.029 0.000 0.983 1037 N HN 0.355 nan 8.380 nan 0.000 0.429 1038 Q N 1.261 121.029 119.800 -0.053 0.000 2.123 1038 Q HA 0.056 4.394 4.340 -0.003 0.000 0.199 1038 Q C 1.895 177.883 176.000 -0.020 0.000 0.966 1038 Q CA 1.442 57.232 55.803 -0.022 0.000 0.845 1038 Q CB -0.257 28.478 28.738 -0.004 0.000 0.907 1038 Q HN 0.346 nan 8.270 nan 0.000 0.439 1039 A N 0.280 123.070 122.820 -0.050 0.000 1.930 1039 A HA -0.158 4.160 4.320 -0.003 0.000 0.217 1039 A C 1.952 179.497 177.584 -0.065 0.000 1.175 1039 A CA 1.524 53.540 52.037 -0.035 0.000 0.627 1039 A CB -0.339 18.634 19.000 -0.045 0.000 0.815 1039 A HN 0.347 nan 8.150 nan 0.000 0.443 1040 K N -0.327 119.929 120.400 -0.241 0.000 2.062 1040 K HA 0.021 4.340 4.320 -0.003 0.000 0.205 1040 K C 2.322 178.842 176.600 -0.132 0.000 1.051 1040 K CA 0.959 56.976 56.287 -0.449 0.000 0.941 1040 K CB -0.281 31.530 32.500 -1.148 0.000 0.719 1040 K HN 0.420 nan 8.250 nan 0.000 0.440 1041 A N 1.955 124.731 122.820 -0.073 0.000 1.902 1041 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 1041 A C 1.603 179.308 177.584 0.202 0.000 1.181 1041 A CA 1.933 54.007 52.037 0.061 0.000 0.623 1041 A CB -0.450 18.540 19.000 -0.016 0.000 0.818 1041 A HN 0.173 nan 8.150 nan 0.000 0.443 1042 D N -0.062 120.424 120.400 0.143 0.000 2.178 1042 D HA -0.020 4.618 4.640 -0.003 0.000 0.201 1042 D C 2.119 178.528 176.300 0.181 0.000 0.980 1042 D CA 1.327 55.420 54.000 0.155 0.000 0.842 1042 D CB -0.292 40.577 40.800 0.115 0.000 0.948 1042 D HN 0.446 nan 8.370 nan 0.000 0.472 1043 A N 0.327 123.271 122.820 0.206 0.000 1.968 1043 A HA -0.073 4.246 4.320 -0.003 0.000 0.217 1043 A C 2.449 180.222 177.584 0.314 0.000 1.169 1043 A CA 0.756 52.977 52.037 0.307 0.000 0.638 1043 A CB -0.394 18.894 19.000 0.479 0.000 0.812 1043 A HN 0.138 nan 8.150 nan 0.000 0.446 1044 V N 0.112 120.109 119.914 0.138 0.000 2.379 1044 V HA -0.218 3.901 4.120 -0.003 0.000 0.245 1044 V C 2.349 178.549 176.094 0.177 0.000 1.044 1044 V CA 2.132 64.408 62.300 -0.039 0.000 1.036 1044 V CB -0.620 31.091 31.823 -0.187 0.000 0.664 1044 V HN 0.514 nan 8.190 nan 0.000 0.453 1045 K N -0.162 120.333 120.400 0.158 0.000 2.152 1045 K HA -0.214 4.105 4.320 -0.003 0.000 0.206 1045 K C 2.278 179.033 176.600 0.259 0.000 1.048 1045 K CA 1.371 57.724 56.287 0.111 0.000 0.933 1045 K CB -0.162 32.359 32.500 0.035 0.000 0.721 1045 K HN 0.386 nan 8.250 nan 0.000 0.447 1046 E N 0.981 121.345 120.200 0.273 0.000 2.106 1046 E HA -0.140 4.208 4.350 -0.003 0.000 0.192 1046 E C 1.793 178.629 176.600 0.394 0.000 0.984 1046 E CA 1.211 57.791 56.400 0.299 0.000 0.806 1046 E CB 0.057 29.910 29.700 0.255 0.000 0.750 1046 E HN 0.267 nan 8.360 nan 0.000 0.458 1047 A N 0.275 123.376 122.820 0.468 0.000 1.968 1047 A HA -0.099 4.219 4.320 -0.003 0.000 0.217 1047 A C 2.046 180.012 177.584 0.637 0.000 1.169 1047 A CA 0.883 53.277 52.037 0.596 0.000 0.638 1047 A CB -0.808 18.597 19.000 0.676 0.000 0.812 1047 A HN 0.410 nan 8.150 nan 0.000 0.446 1048 F N 0.448 120.619 119.950 0.368 0.000 2.186 1048 F HA -0.162 4.363 4.527 -0.002 0.000 0.299 1048 F C 2.334 178.390 175.800 0.428 0.000 1.090 1048 F CA 2.110 60.320 58.000 0.351 0.000 1.307 1048 F CB -0.092 39.024 39.000 0.193 0.000 1.019 1048 F HN 0.292 nan 8.300 nan 0.000 0.489 1049 Q N -0.181 119.959 119.800 0.566 0.000 2.119 1049 Q HA -0.230 4.108 4.340 -0.003 0.000 0.201 1049 Q C 2.108 178.330 176.000 0.370 0.000 0.972 1049 Q CA 2.147 58.217 55.803 0.446 0.000 0.847 1049 Q CB -0.628 28.324 28.738 0.357 0.000 0.903 1049 Q HN 0.675 nan 8.270 nan 0.000 0.433 1050 H N -0.584 118.655 119.070 0.282 0.000 2.289 1050 H HA -0.095 4.459 4.556 -0.003 0.000 0.296 1050 H C 1.583 177.016 175.328 0.174 0.000 1.091 1050 H CA 2.498 58.661 56.048 0.192 0.000 1.274 1050 H CB -0.356 29.503 29.762 0.161 0.000 1.364 1050 H HN 0.301 nan 8.280 nan 0.000 0.490 1051 A N 0.789 123.710 122.820 0.168 0.000 1.968 1051 A HA -0.142 4.176 4.320 -0.003 0.000 0.217 1051 A C 2.477 180.259 177.584 0.330 0.000 1.169 1051 A CA 1.109 53.225 52.037 0.132 0.000 0.638 1051 A CB -1.373 17.743 19.000 0.193 0.000 0.812 1051 A HN 0.814 nan 8.150 nan 0.000 0.446 1052 W N 1.267 122.673 121.300 0.177 0.000 2.381 1052 W HA -0.182 4.477 4.660 -0.002 0.000 0.301 1052 W C 1.495 178.041 176.519 0.045 0.000 1.205 1052 W CA 1.778 59.159 57.345 0.061 0.000 1.285 1052 W CB -0.318 29.052 29.460 -0.151 0.000 1.133 1052 W HN 0.380 nan 8.180 nan 0.000 0.521 1053 N N 0.453 119.181 118.700 0.046 0.000 2.104 1053 N HA -0.144 4.594 4.740 -0.003 0.000 0.190 1053 N C 1.946 177.350 175.510 -0.176 0.000 1.024 1053 N CA 2.190 55.188 53.050 -0.087 0.000 0.853 1053 N CB -1.320 37.170 38.487 0.006 0.000 1.008 1053 N HN 0.276 nan 8.380 nan 0.000 0.424 1054 G N -0.394 108.339 108.800 -0.112 0.000 2.402 1054 G HA2 -0.277 3.682 3.960 -0.003 0.000 0.216 1054 G HA3 -0.277 3.682 3.960 -0.003 0.000 0.216 1054 G C 1.517 176.442 174.900 0.042 0.000 1.162 1054 G CA 0.629 45.720 45.100 -0.014 0.000 0.777 1054 G HN 0.373 nan 8.290 nan 0.000 0.539 1055 Y N 0.847 121.078 120.300 -0.115 0.000 2.181 1055 Y HA -0.090 4.459 4.550 -0.003 0.000 0.288 1055 Y C 2.595 178.328 175.900 -0.279 0.000 1.146 1055 Y CA 2.013 60.028 58.100 -0.142 0.000 1.164 1055 Y CB -0.299 38.047 38.460 -0.190 0.000 0.982 1055 Y HN 0.218 nan 8.280 nan 0.000 0.515 1056 M N 0.963 120.088 119.600 -0.793 0.000 2.175 1056 M HA -0.104 4.374 4.480 -0.003 0.000 0.264 1056 M C 2.194 178.207 176.300 -0.479 0.000 1.063 1056 M CA 1.972 56.774 55.300 -0.829 0.000 1.119 1056 M CB -0.609 31.493 32.600 -0.831 0.000 1.377 1056 M HN 0.246 nan 8.290 nan 0.000 0.415 1057 K N -1.340 118.809 120.400 -0.419 0.000 2.057 1057 K HA -0.167 4.152 4.320 -0.003 0.000 0.206 1057 K C 1.067 177.369 176.600 -0.497 0.000 1.050 1057 K CA 1.778 57.771 56.287 -0.490 0.000 0.935 1057 K CB -0.130 31.967 32.500 -0.671 0.000 0.715 1057 K HN 0.522 nan 8.250 nan 0.000 0.439 1058 Y N -2.103 118.128 120.300 -0.116 0.000 2.444 1058 Y HA 0.338 4.887 4.550 -0.003 0.000 0.252 1058 Y C 1.503 177.408 175.900 0.009 0.000 1.091 1058 Y CA 0.025 58.097 58.100 -0.046 0.000 1.276 1058 Y CB 1.107 39.545 38.460 -0.036 0.000 1.170 1058 Y HN 0.148 nan 8.280 nan 0.000 0.517 1059 A N -0.819 122.039 122.820 0.064 0.000 2.027 1059 A HA 0.152 4.471 4.320 -0.003 0.000 0.196 1059 A C 0.036 177.592 177.584 -0.048 0.000 1.573 1059 A CA -0.373 51.738 52.037 0.123 0.000 1.097 1059 A CB -0.509 18.660 19.000 0.281 0.000 1.196 1059 A HN 0.186 nan 8.150 nan 0.000 0.462 1060 F N 3.151 122.685 119.950 -0.693 0.000 2.629 1060 F HA 0.258 4.783 4.527 -0.002 0.000 0.377 1060 F C -1.277 174.326 175.800 -0.328 0.000 1.101 1060 F CA -0.985 56.595 58.000 -0.701 0.000 1.301 1060 F CB 0.936 39.380 39.000 -0.927 0.000 1.062 1060 F HN 0.062 nan 8.300 nan 0.000 0.583 1061 P HA 0.014 nan 4.420 nan 0.000 0.256 1061 P C -0.210 176.772 177.300 -0.530 0.000 1.384 1061 P CA 0.222 62.547 63.100 -1.292 0.000 0.879 1061 P CB -0.171 30.732 31.700 -1.329 0.000 1.403 1062 H N 0.732 119.666 119.070 -0.227 0.000 2.703 1062 H HA 0.021 4.575 4.556 -0.003 0.000 0.377 1062 H C 1.040 176.441 175.328 0.121 0.000 1.392 1062 H CA 0.267 56.272 56.048 -0.072 0.000 1.458 1062 H CB 0.771 30.471 29.762 -0.104 0.000 1.529 1062 H HN -0.003 nan 8.280 nan 0.000 0.619 1063 D N 0.100 120.646 120.400 0.243 0.000 2.117 1063 D HA -0.088 4.550 4.640 -0.003 0.000 0.198 1063 D C 0.844 177.247 176.300 0.172 0.000 0.982 1063 D CA 1.448 55.570 54.000 0.204 0.000 0.828 1063 D CB 0.422 41.313 40.800 0.151 0.000 0.967 1063 D HN 0.592 nan 8.370 nan 0.000 0.464 1064 E N -0.066 120.263 120.200 0.215 0.000 2.433 1064 E HA 0.301 4.650 4.350 -0.003 0.000 0.278 1064 E C -0.960 175.804 176.600 0.274 0.000 0.976 1064 E CA -0.996 55.508 56.400 0.173 0.000 0.793 1064 E CB 1.678 31.404 29.700 0.043 0.000 1.311 1064 E HN -0.032 nan 8.360 nan 0.000 0.460 1065 L N 1.215 122.609 121.223 0.286 0.000 2.397 1065 L HA 0.393 4.731 4.340 -0.003 0.000 0.271 1065 L C -0.119 176.811 176.870 0.100 0.000 1.148 1065 L CA 0.277 55.266 54.840 0.248 0.000 0.825 1065 L CB 1.069 43.295 42.059 0.279 0.000 1.117 1065 L HN 0.682 nan 8.230 nan 0.000 0.456 1066 T N 2.850 117.425 114.554 0.036 0.000 2.853 1066 T HA 0.414 4.762 4.350 -0.003 0.000 0.317 1066 T C -1.786 172.882 174.700 -0.054 0.000 1.059 1066 T CA -1.597 60.491 62.100 -0.020 0.000 0.954 1066 T CB 0.871 69.701 68.868 -0.063 0.000 0.994 1066 T HN 0.617 nan 8.240 nan 0.000 0.479 1067 P HA -0.038 nan 4.420 nan 0.000 0.225 1067 P C 1.184 178.433 177.300 -0.085 0.000 1.148 1067 P CA 0.296 63.361 63.100 -0.058 0.000 0.779 1067 P CB 0.210 31.895 31.700 -0.025 0.000 0.780 1068 V N 0.554 120.423 119.914 -0.075 0.000 2.672 1068 V HA -0.051 4.067 4.120 -0.003 0.000 0.242 1068 V C 2.556 178.580 176.094 -0.117 0.000 1.059 1068 V CA 1.956 64.210 62.300 -0.076 0.000 1.081 1068 V CB -0.962 30.839 31.823 -0.036 0.000 0.752 1068 V HN 0.247 nan 8.190 nan 0.000 0.472 1069 S N -0.774 114.846 115.700 -0.133 0.000 2.593 1069 S HA 0.031 4.499 4.470 -0.003 0.000 0.217 1069 S C 0.655 175.098 174.600 -0.261 0.000 0.966 1069 S CA 0.037 58.139 58.200 -0.164 0.000 0.914 1069 S CB -0.387 62.729 63.200 -0.139 0.000 0.776 1069 S HN 0.565 nan 8.310 nan 0.000 0.523 1070 N N 1.671 120.169 118.700 -0.337 0.000 2.708 1070 N HA -0.093 4.645 4.740 -0.003 0.000 0.255 1070 N C 0.030 175.269 175.510 -0.452 0.000 1.046 1070 N CA 1.022 53.686 53.050 -0.644 0.000 0.715 1070 N CB -1.454 36.335 38.487 -1.163 0.000 0.895 1070 N HN 0.752 nan 8.380 nan 0.000 0.545 1071 G N -0.896 107.763 108.800 -0.234 0.000 3.183 1071 G HA2 0.717 4.675 3.960 -0.003 0.000 0.247 1071 G HA3 0.717 4.675 3.960 -0.003 0.000 0.247 1071 G C -0.763 174.067 174.900 -0.116 0.000 1.211 1071 G CA -0.301 44.677 45.100 -0.204 0.000 0.835 1071 G HN 0.554 nan 8.290 nan 0.000 0.604 1072 H N -2.072 116.946 119.070 -0.087 0.000 2.946 1072 H HA 0.883 5.437 4.556 -0.003 0.000 0.365 1072 H C -0.493 174.765 175.328 -0.117 0.000 1.197 1072 H CA -0.749 55.242 56.048 -0.094 0.000 1.131 1072 H CB 1.583 31.207 29.762 -0.230 0.000 1.849 1072 H HN 0.930 nan 8.280 nan 0.000 0.555 1073 A N 0.487 123.403 122.820 0.161 0.000 2.594 1073 A HA 0.551 4.869 4.320 -0.003 0.000 0.291 1073 A C -1.534 176.132 177.584 0.136 0.000 1.105 1073 A CA -0.806 51.294 52.037 0.106 0.000 0.694 1073 A CB 1.463 20.491 19.000 0.047 0.000 1.291 1073 A HN 0.807 nan 8.150 nan 0.000 0.410 1074 D N 1.697 122.155 120.400 0.096 0.000 2.552 1074 D HA 0.195 4.833 4.640 -0.003 0.000 0.285 1074 D C 0.746 177.067 176.300 0.035 0.000 1.206 1074 D CA 0.447 54.496 54.000 0.082 0.000 0.826 1074 D CB 1.057 41.904 40.800 0.078 0.000 1.179 1074 D HN 0.539 nan 8.370 nan 0.000 0.508 1075 S N 0.267 115.992 115.700 0.042 0.000 2.603 1075 S HA 0.022 4.490 4.470 -0.003 0.000 0.220 1075 S C 1.006 175.630 174.600 0.041 0.000 0.967 1075 S CA 0.055 58.274 58.200 0.033 0.000 0.920 1075 S CB 0.334 63.555 63.200 0.034 0.000 0.773 1075 S HN 0.152 nan 8.310 nan 0.000 0.529 1076 R N 1.152 121.681 120.500 0.049 0.000 2.881 1076 R HA 0.323 4.662 4.340 -0.003 0.000 0.331 1076 R C -0.569 175.683 176.300 -0.079 0.000 1.207 1076 R CA 0.030 56.191 56.100 0.101 0.000 1.265 1076 R CB -0.749 29.699 30.300 0.247 0.000 1.351 1076 R HN 0.466 nan 8.270 nan 0.000 0.613 1077 N N 0.022 118.545 118.700 -0.295 0.000 2.900 1077 N HA -0.237 4.501 4.740 -0.003 0.000 0.240 1077 N C 0.743 175.727 175.510 -0.876 0.000 0.953 1077 N CA 1.206 53.812 53.050 -0.740 0.000 0.950 1077 N CB -0.761 36.845 38.487 -1.470 0.000 1.102 1077 N HN 0.653 nan 8.380 nan 0.000 0.593 1078 G N -1.893 106.650 108.800 -0.429 0.000 2.136 1078 G HA2 -0.288 3.670 3.960 -0.003 0.000 0.242 1078 G HA3 -0.288 3.670 3.960 -0.003 0.000 0.242 1078 G C 0.300 175.110 174.900 -0.150 0.000 0.989 1078 G CA 0.369 45.316 45.100 -0.256 0.000 0.682 1078 G HN 0.394 nan 8.290 nan 0.000 0.522 1079 W N 0.432 121.764 121.300 0.053 0.000 3.290 1079 W HA 0.475 5.134 4.660 -0.002 0.000 0.287 1079 W C 1.465 178.146 176.519 0.271 0.000 1.288 1079 W CA 0.173 57.500 57.345 -0.030 0.000 1.725 1079 W CB -0.519 28.729 29.460 -0.354 0.000 1.103 1079 W HN 1.398 nan 8.180 nan 0.000 0.670 1080 G N 0.629 109.697 108.800 0.446 0.000 2.414 1080 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.256 1080 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.256 1080 G C 1.146 176.299 174.900 0.422 0.000 1.128 1080 G CA 0.137 45.458 45.100 0.368 0.000 0.944 1080 G HN 0.289 nan 8.290 nan 0.000 0.500 1081 A N 0.205 123.243 122.820 0.364 0.000 1.892 1081 A HA 0.073 4.392 4.320 -0.003 0.000 0.218 1081 A C 2.720 180.291 177.584 -0.022 0.000 1.188 1081 A CA 2.773 54.831 52.037 0.036 0.000 0.631 1081 A CB -0.633 18.340 19.000 -0.047 0.000 0.822 1081 A HN 1.251 nan 8.150 nan 0.000 0.447 1082 S N -0.252 115.396 115.700 -0.087 0.000 2.399 1082 S HA -0.031 4.437 4.470 -0.003 0.000 0.231 1082 S C 2.220 176.673 174.600 -0.245 0.000 1.022 1082 S CA 1.145 59.172 58.200 -0.287 0.000 0.983 1082 S CB -0.424 62.306 63.200 -0.783 0.000 0.803 1082 S HN 0.810 nan 8.310 nan 0.000 0.480 1083 A N 1.048 123.883 122.820 0.024 0.000 1.873 1083 A HA -0.003 4.315 4.320 -0.003 0.000 0.215 1083 A C 2.309 180.028 177.584 0.224 0.000 1.186 1083 A CA 1.339 53.563 52.037 0.312 0.000 0.616 1083 A CB -0.774 18.480 19.000 0.423 0.000 0.823 1083 A HN 0.350 nan 8.150 nan 0.000 0.442 1084 V N 0.372 120.420 119.914 0.223 0.000 2.427 1084 V HA -0.186 3.933 4.120 -0.003 0.000 0.248 1084 V C 2.088 178.235 176.094 0.088 0.000 1.051 1084 V CA 2.203 64.618 62.300 0.192 0.000 1.048 1084 V CB -0.726 31.273 31.823 0.293 0.000 0.666 1084 V HN 0.457 nan 8.190 nan 0.000 0.456 1085 D N 0.201 120.653 120.400 0.088 0.000 2.269 1085 D HA -0.017 4.621 4.640 -0.003 0.000 0.208 1085 D C 2.053 178.508 176.300 0.258 0.000 0.963 1085 D CA 1.228 55.359 54.000 0.218 0.000 0.864 1085 D CB 0.012 40.925 40.800 0.188 0.000 0.936 1085 D HN 0.422 nan 8.370 nan 0.000 0.505 1086 A N -0.063 122.837 122.820 0.134 0.000 2.169 1086 A HA 0.009 4.327 4.320 -0.003 0.000 0.212 1086 A C 1.949 179.564 177.584 0.052 0.000 1.153 1086 A CA 0.225 52.341 52.037 0.132 0.000 0.756 1086 A CB -0.303 18.617 19.000 -0.132 0.000 0.813 1086 A HN 0.247 nan 8.150 nan 0.000 0.471 1087 L N 1.036 122.263 121.223 0.006 0.000 1.989 1087 L HA -0.195 4.144 4.340 -0.003 0.000 0.211 1087 L C 2.767 179.577 176.870 -0.099 0.000 1.071 1087 L CA 2.985 57.787 54.840 -0.063 0.000 0.749 1087 L CB -0.782 41.257 42.059 -0.034 0.000 0.890 1087 L HN 0.478 nan 8.230 nan 0.000 0.431 1088 S N -2.494 113.177 115.700 -0.049 0.000 2.382 1088 S HA -0.198 4.271 4.470 -0.003 0.000 0.228 1088 S C 1.858 176.330 174.600 -0.214 0.000 1.027 1088 S CA 1.607 59.746 58.200 -0.100 0.000 0.991 1088 S CB -1.342 61.889 63.200 0.052 0.000 0.823 1088 S HN 0.563 nan 8.310 nan 0.000 0.469 1089 T N 2.704 117.164 114.554 -0.157 0.000 2.777 1089 T HA 0.112 4.460 4.350 -0.003 0.000 0.266 1089 T C 2.246 176.611 174.700 -0.558 0.000 1.040 1089 T CA 1.354 63.263 62.100 -0.317 0.000 1.141 1089 T CB -0.824 67.949 68.868 -0.158 0.000 0.868 1089 T HN 0.631 nan 8.240 nan 0.000 0.444 1090 A N 1.024 123.559 122.820 -0.476 0.000 1.933 1090 A HA -0.040 4.279 4.320 -0.003 0.000 0.218 1090 A C 2.583 179.913 177.584 -0.425 0.000 1.175 1090 A CA 1.275 52.997 52.037 -0.524 0.000 0.628 1090 A CB -1.014 17.775 19.000 -0.351 0.000 0.814 1090 A HN 0.350 nan 8.150 nan 0.000 0.444 1091 V N 0.167 119.866 119.914 -0.358 0.000 2.295 1091 V HA -0.276 3.842 4.120 -0.003 0.000 0.246 1091 V C 2.402 178.221 176.094 -0.458 0.000 1.049 1091 V CA 2.105 64.208 62.300 -0.329 0.000 1.024 1091 V CB -0.660 30.993 31.823 -0.284 0.000 0.648 1091 V HN 0.581 nan 8.190 nan 0.000 0.447 1092 I N -0.809 119.360 120.570 -0.668 0.000 2.361 1092 I HA -0.264 3.904 4.170 -0.003 0.000 0.251 1092 I C 2.269 178.078 176.117 -0.513 0.000 1.133 1092 I CA 1.677 62.407 61.300 -0.949 0.000 1.413 1092 I CB -0.172 37.213 38.000 -1.025 0.000 1.073 1092 I HN 0.291 nan 8.210 nan 0.000 0.424 1093 M N -0.287 118.954 119.600 -0.597 0.000 2.556 1093 M HA 0.145 4.624 4.480 -0.003 0.000 0.245 1093 M C 1.305 177.413 176.300 -0.320 0.000 1.128 1093 M CA 0.650 55.558 55.300 -0.654 0.000 1.069 1093 M CB 0.280 32.340 32.600 -0.901 0.000 1.469 1093 M HN 0.398 nan 8.290 nan 0.000 0.494 1094 G N 1.865 110.518 108.800 -0.245 0.000 2.176 1094 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.252 1094 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.252 1094 G C -0.181 174.640 174.900 -0.132 0.000 1.024 1094 G CA -0.002 45.021 45.100 -0.128 0.000 0.755 1094 G HN 0.454 nan 8.290 nan 0.000 0.507 1095 K N 0.464 120.746 120.400 -0.196 0.000 2.184 1095 K HA 0.589 4.907 4.320 -0.003 0.000 0.259 1095 K C 1.716 178.233 176.600 -0.139 0.000 1.119 1095 K CA 0.130 56.324 56.287 -0.155 0.000 0.991 1095 K CB 0.768 33.156 32.500 -0.187 0.000 1.522 1095 K HN 0.343 nan 8.250 nan 0.000 0.405 1096 A N 2.774 125.540 122.820 -0.090 0.000 1.908 1096 A HA -0.228 4.090 4.320 -0.003 0.000 0.218 1096 A C 1.457 179.001 177.584 -0.067 0.000 1.181 1096 A CA 1.684 53.678 52.037 -0.071 0.000 0.627 1096 A CB -0.160 18.816 19.000 -0.041 0.000 0.818 1096 A HN 0.597 nan 8.150 nan 0.000 0.445 1097 D N -0.305 120.062 120.400 -0.054 0.000 2.104 1097 D HA -0.113 4.525 4.640 -0.003 0.000 0.194 1097 D C 2.060 178.321 176.300 -0.066 0.000 0.994 1097 D CA 1.553 55.532 54.000 -0.035 0.000 0.830 1097 D CB -0.520 40.276 40.800 -0.005 0.000 0.959 1097 D HN 0.236 nan 8.370 nan 0.000 0.452 1098 V N 0.586 120.409 119.914 -0.152 0.000 2.358 1098 V HA -0.188 3.931 4.120 -0.003 0.000 0.246 1098 V C 2.650 178.580 176.094 -0.274 0.000 1.047 1098 V CA 0.915 63.011 62.300 -0.340 0.000 1.035 1098 V CB -0.442 31.005 31.823 -0.627 0.000 0.658 1098 V HN 0.052 nan 8.190 nan 0.000 0.452 1099 V N 0.735 120.528 119.914 -0.201 0.000 2.255 1099 V HA -0.278 3.841 4.120 -0.003 0.000 0.247 1099 V C 2.378 178.435 176.094 -0.063 0.000 1.051 1099 V CA 2.291 64.509 62.300 -0.137 0.000 1.018 1099 V CB -0.872 30.881 31.823 -0.117 0.000 0.641 1099 V HN 0.570 nan 8.190 nan 0.000 0.445 1100 N N 0.438 119.112 118.700 -0.044 0.000 2.104 1100 N HA -0.148 4.590 4.740 -0.003 0.000 0.190 1100 N C 1.921 177.445 175.510 0.024 0.000 1.024 1100 N CA 1.742 54.789 53.050 -0.005 0.000 0.853 1100 N CB -0.503 37.981 38.487 -0.005 0.000 1.008 1100 N HN 0.505 nan 8.380 nan 0.000 0.424 1101 A N 1.210 124.041 122.820 0.019 0.000 1.908 1101 A HA -0.094 4.224 4.320 -0.003 0.000 0.218 1101 A C 2.322 179.978 177.584 0.119 0.000 1.181 1101 A CA 1.037 53.104 52.037 0.050 0.000 0.627 1101 A CB -0.623 18.405 19.000 0.047 0.000 0.818 1101 A HN 0.238 nan 8.150 nan 0.000 0.445 1102 I N -0.524 120.110 120.570 0.106 0.000 2.353 1102 I HA -0.191 3.978 4.170 -0.003 0.000 0.248 1102 I C 2.245 178.483 176.117 0.200 0.000 1.119 1102 I CA 0.754 62.171 61.300 0.195 0.000 1.417 1102 I CB -0.278 37.783 38.000 0.102 0.000 1.078 1102 I HN 0.265 nan 8.210 nan 0.000 0.421 1103 L N 0.285 121.574 121.223 0.111 0.000 2.083 1103 L HA -0.186 4.153 4.340 -0.003 0.000 0.209 1103 L C 2.606 179.539 176.870 0.106 0.000 1.083 1103 L CA 1.213 56.109 54.840 0.094 0.000 0.752 1103 L CB -0.585 41.504 42.059 0.051 0.000 0.899 1103 L HN 0.276 nan 8.230 nan 0.000 0.433 1104 E N -0.855 119.418 120.200 0.122 0.000 2.106 1104 E HA -0.228 4.121 4.350 -0.003 0.000 0.192 1104 E C 2.001 178.698 176.600 0.161 0.000 0.984 1104 E CA 0.930 57.401 56.400 0.118 0.000 0.806 1104 E CB -0.303 29.466 29.700 0.114 0.000 0.750 1104 E HN 0.585 nan 8.360 nan 0.000 0.458 1105 H N 1.127 120.297 119.070 0.166 0.000 2.293 1105 H HA -0.088 4.467 4.556 -0.003 0.000 0.300 1105 H C 2.144 177.535 175.328 0.104 0.000 1.082 1105 H CA 1.615 57.782 56.048 0.199 0.000 1.308 1105 H CB 0.122 30.113 29.762 0.383 0.000 1.375 1105 H HN -0.078 nan 8.280 nan 0.000 0.495 1106 V N 1.771 121.709 119.914 0.040 0.000 2.317 1106 V HA -0.340 3.778 4.120 -0.003 0.000 0.251 1106 V C 3.089 179.113 176.094 -0.117 0.000 1.065 1106 V CA 1.844 64.114 62.300 -0.050 0.000 1.049 1106 V CB -1.326 30.547 31.823 0.084 0.000 0.651 1106 V HN 0.633 nan 8.190 nan 0.000 0.450 1107 A N -0.547 122.241 122.820 -0.053 0.000 2.024 1107 A HA -0.232 4.086 4.320 -0.003 0.000 0.220 1107 A C 1.823 179.345 177.584 -0.104 0.000 1.164 1107 A CA 1.989 53.994 52.037 -0.053 0.000 0.643 1107 A CB -0.424 18.570 19.000 -0.011 0.000 0.806 1107 A HN 0.588 nan 8.150 nan 0.000 0.451 1108 D N -0.712 119.591 120.400 -0.161 0.000 2.349 1108 D HA 0.194 4.832 4.640 -0.003 0.000 0.214 1108 D C 0.386 176.529 176.300 -0.262 0.000 1.063 1108 D CA -0.041 53.856 54.000 -0.172 0.000 0.847 1108 D CB 0.026 40.750 40.800 -0.127 0.000 0.933 1108 D HN 0.448 nan 8.370 nan 0.000 0.513 1109 I N 1.258 121.592 120.570 -0.394 0.000 2.692 1109 I HA -0.031 4.137 4.170 -0.003 0.000 0.284 1109 I C 0.513 176.340 176.117 -0.483 0.000 1.159 1109 I CA 0.236 61.211 61.300 -0.542 0.000 1.423 1109 I CB 0.569 38.028 38.000 -0.902 0.000 1.380 1109 I HN -0.266 nan 8.210 nan 0.000 0.580 1110 D N 6.106 126.255 120.400 -0.418 0.000 2.464 1110 D HA 0.208 4.846 4.640 -0.003 0.000 0.243 1110 D C 0.330 176.430 176.300 -0.334 0.000 1.104 1110 D CA -0.402 53.438 54.000 -0.267 0.000 0.883 1110 D CB 0.501 41.239 40.800 -0.103 0.000 1.050 1110 D HN 0.309 nan 8.370 nan 0.000 0.524 1111 F N 1.183 120.891 119.950 -0.403 0.000 2.771 1111 F HA -0.085 4.441 4.527 -0.003 0.000 0.299 1111 F C 2.412 178.066 175.800 -0.243 0.000 1.177 1111 F CA 0.339 57.926 58.000 -0.688 0.000 1.450 1111 F CB 0.237 38.769 39.000 -0.780 0.000 1.114 1111 F HN 0.312 nan 8.300 nan 0.000 0.587 1112 S N -1.186 114.560 115.700 0.077 0.000 2.558 1112 S HA 0.100 4.569 4.470 -0.003 0.000 0.217 1112 S C 0.443 175.149 174.600 0.177 0.000 0.975 1112 S CA -0.143 58.134 58.200 0.128 0.000 0.912 1112 S CB -0.153 63.096 63.200 0.081 0.000 0.776 1112 S HN 0.164 nan 8.310 nan 0.000 0.526 1113 K N 0.774 121.309 120.400 0.224 0.000 2.378 1113 K HA 0.672 4.991 4.320 -0.003 0.000 0.252 1113 K C -1.098 175.692 176.600 0.316 0.000 0.931 1113 K CA -0.421 55.997 56.287 0.218 0.000 0.794 1113 K CB 2.093 34.663 32.500 0.117 0.000 1.181 1113 K HN 0.106 nan 8.250 nan 0.000 0.425 1114 T N -0.785 113.873 114.554 0.173 0.000 2.893 1114 T HA 0.089 4.437 4.350 -0.003 0.000 0.337 1114 T C -0.119 174.581 174.700 0.000 0.000 1.587 1114 T CA -0.521 61.597 62.100 0.029 0.000 1.066 1114 T CB 1.114 69.932 68.868 -0.084 0.000 1.414 1114 T HN 0.554 nan 8.240 nan 0.000 0.488 1115 S N 1.635 117.306 115.700 -0.048 0.000 2.556 1115 S HA 0.336 4.804 4.470 -0.003 0.000 0.216 1115 S C 0.017 174.600 174.600 -0.028 0.000 0.970 1115 S CA -0.259 57.924 58.200 -0.027 0.000 0.912 1115 S CB -0.034 63.149 63.200 -0.027 0.000 0.790 1115 S HN 0.665 nan 8.310 nan 0.000 0.504 1116 D N 1.278 121.650 120.400 -0.047 0.000 2.423 1116 D HA 0.287 4.925 4.640 -0.003 0.000 0.235 1116 D C -0.352 175.948 176.300 0.001 0.000 1.011 1116 D CA -0.337 53.645 54.000 -0.030 0.000 0.963 1116 D CB 1.678 42.445 40.800 -0.054 0.000 1.349 1116 D HN 0.121 nan 8.370 nan 0.000 0.508 1117 T N -0.449 114.119 114.554 0.023 0.000 2.903 1117 T HA 0.205 4.554 4.350 -0.003 0.000 0.314 1117 T C -0.313 174.430 174.700 0.071 0.000 1.078 1117 T CA -0.162 61.972 62.100 0.057 0.000 1.114 1117 T CB 0.354 69.252 68.868 0.050 0.000 0.987 1117 T HN 0.071 nan 8.240 nan 0.000 0.548 1118 V N 4.457 124.443 119.914 0.121 0.000 2.417 1118 V HA 0.436 4.555 4.120 -0.003 0.000 0.291 1118 V C 0.337 176.518 176.094 0.146 0.000 1.024 1118 V CA -0.780 61.615 62.300 0.158 0.000 0.861 1118 V CB 1.715 33.691 31.823 0.254 0.000 0.985 1118 V HN 1.026 nan 8.190 nan 0.000 0.436 1119 S N 4.383 120.179 115.700 0.160 0.000 2.422 1119 S HA 0.191 4.659 4.470 -0.003 0.000 0.283 1119 S C 0.884 175.590 174.600 0.177 0.000 1.163 1119 S CA -0.563 57.734 58.200 0.163 0.000 1.054 1119 S CB 0.533 63.850 63.200 0.195 0.000 0.967 1119 S HN 0.663 nan 8.310 nan 0.000 0.499 1120 L N 7.148 128.441 121.223 0.117 0.000 2.042 1120 L HA 0.033 4.371 4.340 -0.003 0.000 0.210 1120 L C 1.696 178.683 176.870 0.195 0.000 1.076 1120 L CA 2.051 56.947 54.840 0.093 0.000 0.749 1120 L CB -1.012 40.994 42.059 -0.089 0.000 0.893 1120 L HN 0.867 nan 8.230 nan 0.000 0.432 1121 F N 0.249 120.225 119.950 0.044 0.000 2.031 1121 F HA -0.213 4.312 4.527 -0.003 0.000 0.295 1121 F C 2.378 178.253 175.800 0.125 0.000 1.133 1121 F CA 1.922 59.960 58.000 0.064 0.000 1.188 1121 F CB -0.206 38.804 39.000 0.016 0.000 0.974 1121 F HN 0.100 nan 8.300 nan 0.000 0.473 1122 E N 0.060 120.247 120.200 -0.022 0.000 2.110 1122 E HA -0.167 4.181 4.350 -0.003 0.000 0.193 1122 E C 2.200 178.836 176.600 0.060 0.000 0.988 1122 E CA 1.875 58.198 56.400 -0.128 0.000 0.804 1122 E CB -0.819 28.937 29.700 0.094 0.000 0.745 1122 E HN 0.470 nan 8.360 nan 0.000 0.458 1123 T N 0.763 115.443 114.554 0.211 0.000 2.821 1123 T HA -0.079 4.269 4.350 -0.003 0.000 0.267 1123 T C 1.986 176.835 174.700 0.250 0.000 1.046 1123 T CA 1.583 63.898 62.100 0.359 0.000 1.139 1123 T CB -0.259 68.826 68.868 0.362 0.000 0.871 1123 T HN 0.155 nan 8.240 nan 0.000 0.454 1124 T N 2.865 117.533 114.554 0.190 0.000 2.701 1124 T HA 0.019 4.368 4.350 -0.003 0.000 0.263 1124 T C 2.094 176.867 174.700 0.122 0.000 1.040 1124 T CA 1.338 63.561 62.100 0.204 0.000 1.147 1124 T CB -0.398 68.695 68.868 0.376 0.000 0.865 1124 T HN 0.639 nan 8.240 nan 0.000 0.426 1125 I N -0.626 119.949 120.570 0.009 0.000 2.546 1125 I HA 0.009 4.178 4.170 -0.003 0.000 0.255 1125 I C 2.332 178.508 176.117 0.099 0.000 1.163 1125 I CA 1.153 62.460 61.300 0.013 0.000 1.457 1125 I CB -0.242 37.638 38.000 -0.200 0.000 1.092 1125 I HN 0.050 nan 8.210 nan 0.000 0.434 1126 R N 0.163 120.703 120.500 0.066 0.000 2.056 1126 R HA 0.120 4.458 4.340 -0.003 0.000 0.215 1126 R C 2.226 178.545 176.300 0.031 0.000 1.205 1126 R CA 1.038 57.183 56.100 0.075 0.000 1.020 1126 R CB -0.777 29.483 30.300 -0.068 0.000 0.911 1126 R HN 0.293 nan 8.270 nan 0.000 0.451 1127 Y N 1.188 121.565 120.300 0.129 0.000 2.153 1127 Y HA -0.163 4.385 4.550 -0.003 0.000 0.289 1127 Y C 2.367 178.227 175.900 -0.066 0.000 1.127 1127 Y CA 0.817 58.967 58.100 0.084 0.000 1.131 1127 Y CB -0.332 38.212 38.460 0.140 0.000 0.995 1127 Y HN -0.004 nan 8.280 nan 0.000 0.505 1128 L N 0.372 121.618 121.223 0.038 0.000 1.994 1128 L HA -0.133 4.206 4.340 -0.003 0.000 0.208 1128 L C 2.341 179.145 176.870 -0.110 0.000 1.071 1128 L CA 2.123 56.881 54.840 -0.137 0.000 0.745 1128 L CB -1.201 40.730 42.059 -0.215 0.000 0.892 1128 L HN 0.152 nan 8.230 nan 0.000 0.431 1129 A N -0.710 122.092 122.820 -0.031 0.000 1.930 1129 A HA -0.025 4.293 4.320 -0.003 0.000 0.217 1129 A C 2.307 179.771 177.584 -0.200 0.000 1.175 1129 A CA 1.382 53.408 52.037 -0.019 0.000 0.627 1129 A CB -1.497 17.595 19.000 0.154 0.000 0.815 1129 A HN 0.543 nan 8.150 nan 0.000 0.443 1130 G N -0.778 107.795 108.800 -0.379 0.000 2.422 1130 G HA2 -0.168 3.791 3.960 -0.003 0.000 0.218 1130 G HA3 -0.168 3.791 3.960 -0.003 0.000 0.218 1130 G C 1.608 176.325 174.900 -0.304 0.000 1.140 1130 G CA 1.114 45.756 45.100 -0.763 0.000 0.775 1130 G HN 0.476 nan 8.290 nan 0.000 0.545 1131 M N -0.251 119.270 119.600 -0.132 0.000 2.193 1131 M HA 0.195 4.674 4.480 -0.003 0.000 0.265 1131 M C 2.504 178.780 176.300 -0.039 0.000 1.071 1131 M CA 0.758 56.030 55.300 -0.047 0.000 1.140 1131 M CB -0.253 32.334 32.600 -0.022 0.000 1.369 1131 M HN 0.122 nan 8.290 nan 0.000 0.423 1132 L N -0.879 120.293 121.223 -0.085 0.000 2.056 1132 L HA -0.180 4.158 4.340 -0.003 0.000 0.207 1132 L C 2.751 179.649 176.870 0.047 0.000 1.078 1132 L CA 1.164 55.972 54.840 -0.054 0.000 0.749 1132 L CB -0.754 41.240 42.059 -0.109 0.000 0.901 1132 L HN 0.328 nan 8.230 nan 0.000 0.433 1133 S N 0.198 115.896 115.700 -0.004 0.000 2.368 1133 S HA -0.135 4.334 4.470 -0.003 0.000 0.225 1133 S C 2.054 176.682 174.600 0.046 0.000 1.030 1133 S CA 1.412 59.635 58.200 0.039 0.000 0.999 1133 S CB -0.469 62.721 63.200 -0.016 0.000 0.844 1133 S HN 0.497 nan 8.310 nan 0.000 0.459 1134 G N -0.400 108.399 108.800 -0.001 0.000 2.418 1134 G HA2 -0.224 3.735 3.960 -0.003 0.000 0.217 1134 G HA3 -0.224 3.735 3.960 -0.003 0.000 0.217 1134 G C 1.309 176.255 174.900 0.077 0.000 1.158 1134 G CA 1.037 46.141 45.100 0.006 0.000 0.771 1134 G HN 0.637 nan 8.290 nan 0.000 0.545 1135 Y N 1.704 121.996 120.300 -0.013 0.000 2.114 1135 Y HA -0.138 4.411 4.550 -0.003 0.000 0.284 1135 Y C 2.505 178.431 175.900 0.043 0.000 1.143 1135 Y CA 2.111 60.215 58.100 0.006 0.000 1.135 1135 Y CB -0.120 38.334 38.460 -0.009 0.000 0.980 1135 Y HN 0.171 nan 8.280 nan 0.000 0.499 1136 D N 0.152 120.731 120.400 0.298 0.000 2.117 1136 D HA -0.183 4.455 4.640 -0.003 0.000 0.197 1136 D C 2.274 178.721 176.300 0.244 0.000 0.987 1136 D CA 1.596 55.751 54.000 0.259 0.000 0.829 1136 D CB -0.362 40.626 40.800 0.313 0.000 0.961 1136 D HN 0.415 nan 8.370 nan 0.000 0.460 1137 L N -0.052 121.287 121.223 0.193 0.000 2.093 1137 L HA -0.079 4.259 4.340 -0.003 0.000 0.208 1137 L C 2.313 179.223 176.870 0.066 0.000 1.085 1137 L CA 0.586 55.499 54.840 0.122 0.000 0.755 1137 L CB -0.170 41.862 42.059 -0.044 0.000 0.904 1137 L HN 0.019 nan 8.230 nan 0.000 0.435 1138 L N -1.005 120.213 121.223 -0.008 0.000 2.492 1138 L HA -0.077 4.261 4.340 -0.003 0.000 0.223 1138 L C 2.101 178.915 176.870 -0.094 0.000 1.132 1138 L CA 0.237 55.048 54.840 -0.049 0.000 0.850 1138 L CB -0.050 41.966 42.059 -0.071 0.000 0.966 1138 L HN 0.221 nan 8.230 nan 0.000 0.454 1139 Q N -0.610 119.107 119.800 -0.139 0.000 2.384 1139 Q HA 0.147 4.486 4.340 -0.003 0.000 0.207 1139 Q C 1.106 177.078 176.000 -0.046 0.000 0.904 1139 Q CA 0.637 56.330 55.803 -0.184 0.000 0.933 1139 Q CB 0.733 29.230 28.738 -0.402 0.000 1.077 1139 Q HN 0.344 nan 8.270 nan 0.000 0.522 1140 G N -0.173 108.654 108.800 0.045 0.000 2.851 1140 G HA2 0.142 4.100 3.960 -0.003 0.000 0.208 1140 G HA3 0.142 4.100 3.960 -0.003 0.000 0.208 1140 G C -1.656 173.319 174.900 0.126 0.000 1.894 1140 G CA 0.089 45.255 45.100 0.110 0.000 0.732 1140 G HN 0.133 nan 8.290 nan 0.000 0.802 1141 P HA 0.047 nan 4.420 nan 0.000 0.223 1141 P C 0.640 178.051 177.300 0.184 0.000 1.144 1141 P CA 1.773 64.967 63.100 0.157 0.000 0.783 1141 P CB 0.202 32.001 31.700 0.165 0.000 0.771 1142 A N -0.626 122.308 122.820 0.190 0.000 2.749 1142 A HA 0.253 4.571 4.320 -0.003 0.000 0.299 1142 A C 1.538 179.156 177.584 0.057 0.000 1.105 1142 A CA -0.422 51.703 52.037 0.146 0.000 0.987 1142 A CB -0.304 18.778 19.000 0.136 0.000 1.180 1142 A HN -0.049 nan 8.150 nan 0.000 0.528 1143 K N -0.011 120.413 120.400 0.040 0.000 2.360 1143 K HA -0.073 4.245 4.320 -0.003 0.000 0.201 1143 K C 0.442 177.043 176.600 0.002 0.000 1.046 1143 K CA 1.233 57.523 56.287 0.005 0.000 0.945 1143 K CB -0.080 32.419 32.500 -0.001 0.000 0.750 1143 K HN 0.629 nan 8.250 nan 0.000 0.464 1144 N N 0.272 118.980 118.700 0.014 0.000 2.273 1144 N HA 0.030 4.769 4.740 -0.003 0.000 0.231 1144 N C 0.702 176.217 175.510 0.008 0.000 1.134 1144 N CA -0.247 52.808 53.050 0.008 0.000 0.856 1144 N CB 0.476 38.970 38.487 0.011 0.000 1.068 1144 N HN -0.021 nan 8.380 nan 0.000 0.510 1145 L N 0.456 121.682 121.223 0.005 0.000 2.202 1145 L HA 0.182 4.521 4.340 -0.003 0.000 0.205 1145 L C 0.331 177.193 176.870 -0.014 0.000 1.083 1145 L CA 0.849 55.687 54.840 -0.004 0.000 0.790 1145 L CB 0.338 42.388 42.059 -0.014 0.000 0.942 1145 L HN -0.031 nan 8.230 nan 0.000 0.452 1146 V N -4.215 115.689 119.914 -0.017 0.000 3.114 1146 V HA 0.574 4.693 4.120 -0.003 0.000 0.308 1146 V C -1.646 174.440 176.094 -0.013 0.000 1.168 1146 V CA -0.935 61.355 62.300 -0.016 0.000 1.015 1146 V CB 1.923 33.733 31.823 -0.022 0.000 1.050 1146 V HN -0.024 nan 8.190 nan 0.000 0.433 1147 D N 3.146 123.541 120.400 -0.009 0.000 2.472 1147 D HA 0.485 5.123 4.640 -0.003 0.000 0.234 1147 D C -0.636 175.662 176.300 -0.004 0.000 1.088 1147 D CA 0.068 54.065 54.000 -0.006 0.000 0.882 1147 D CB 0.712 41.511 40.800 -0.003 0.000 1.037 1147 D HN 0.683 nan 8.370 nan 0.000 0.520 1148 N N 2.065 120.762 118.700 -0.005 0.000 2.820 1148 N HA -0.070 4.669 4.740 -0.003 0.000 0.209 1148 N C 0.834 176.344 175.510 -0.000 0.000 1.406 1148 N CA -0.054 52.997 53.050 0.001 0.000 0.916 1148 N CB 1.142 39.632 38.487 0.005 0.000 1.532 1148 N HN 0.122 nan 8.380 nan 0.000 0.559 1149 Q N 0.682 120.480 119.800 -0.003 0.000 2.124 1149 Q HA -0.057 4.281 4.340 -0.003 0.000 0.202 1149 Q C 0.996 177.002 176.000 0.010 0.000 0.977 1149 Q CA 1.823 57.623 55.803 -0.006 0.000 0.850 1149 Q CB 0.197 28.930 28.738 -0.008 0.000 0.901 1149 Q HN 0.330 nan 8.270 nan 0.000 0.429 1150 D N -0.573 119.836 120.400 0.015 0.000 2.144 1150 D HA -0.117 4.522 4.640 -0.003 0.000 0.200 1150 D C 1.734 178.054 176.300 0.032 0.000 0.978 1150 D CA 0.908 54.922 54.000 0.024 0.000 0.833 1150 D CB 0.050 40.861 40.800 0.018 0.000 0.961 1150 D HN 0.331 nan 8.370 nan 0.000 0.470 1151 L N 0.433 121.673 121.223 0.029 0.000 2.156 1151 L HA -0.024 4.314 4.340 -0.003 0.000 0.208 1151 L C 2.478 179.380 176.870 0.052 0.000 1.095 1151 L CA 0.363 55.225 54.840 0.037 0.000 0.770 1151 L CB -0.128 41.950 42.059 0.032 0.000 0.914 1151 L HN -0.013 nan 8.230 nan 0.000 0.439 1152 I N -0.095 120.500 120.570 0.041 0.000 2.163 1152 I HA -0.265 3.903 4.170 -0.003 0.000 0.240 1152 I C 2.052 178.258 176.117 0.149 0.000 1.081 1152 I CA 1.160 62.490 61.300 0.050 0.000 1.353 1152 I CB -0.337 37.640 38.000 -0.038 0.000 1.054 1152 I HN 0.207 nan 8.210 nan 0.000 0.407 1153 D N 1.094 121.568 120.400 0.124 0.000 2.190 1153 D HA -0.157 4.482 4.640 -0.003 0.000 0.200 1153 D C 2.118 178.510 176.300 0.154 0.000 0.992 1153 D CA 1.501 55.619 54.000 0.196 0.000 0.854 1153 D CB -0.515 40.352 40.800 0.112 0.000 0.936 1153 D HN 0.413 nan 8.370 nan 0.000 0.462 1154 G N 0.022 108.880 108.800 0.096 0.000 2.559 1154 G HA2 -0.119 3.840 3.960 -0.003 0.000 0.216 1154 G HA3 -0.119 3.840 3.960 -0.003 0.000 0.216 1154 G C 1.655 176.587 174.900 0.053 0.000 1.126 1154 G CA -0.005 45.129 45.100 0.056 0.000 0.778 1154 G HN 0.263 nan 8.290 nan 0.000 0.543 1155 L N -0.591 120.695 121.223 0.105 0.000 2.109 1155 L HA 0.039 4.378 4.340 -0.003 0.000 0.207 1155 L C 2.595 179.437 176.870 -0.047 0.000 1.086 1155 L CA 0.383 55.271 54.840 0.081 0.000 0.760 1155 L CB -0.237 41.930 42.059 0.181 0.000 0.910 1155 L HN 0.242 nan 8.230 nan 0.000 0.437 1156 L N -0.347 120.798 121.223 -0.131 0.000 2.131 1156 L HA -0.124 4.214 4.340 -0.003 0.000 0.206 1156 L C 1.982 178.728 176.870 -0.206 0.000 1.087 1156 L CA 1.663 56.289 54.840 -0.356 0.000 0.767 1156 L CB -0.554 41.125 42.059 -0.634 0.000 0.917 1156 L HN 0.137 nan 8.230 nan 0.000 0.441 1157 D N -0.606 119.733 120.400 -0.102 0.000 2.104 1157 D HA -0.195 4.444 4.640 -0.003 0.000 0.194 1157 D C 2.095 178.344 176.300 -0.085 0.000 0.994 1157 D CA 1.128 55.085 54.000 -0.073 0.000 0.830 1157 D CB -0.067 40.718 40.800 -0.025 0.000 0.959 1157 D HN 0.392 nan 8.370 nan 0.000 0.452 1158 Q N 0.172 119.937 119.800 -0.058 0.000 2.297 1158 Q HA 0.009 4.347 4.340 -0.003 0.000 0.204 1158 Q C 2.210 178.110 176.000 -0.167 0.000 0.962 1158 Q CA 0.456 56.242 55.803 -0.030 0.000 0.879 1158 Q CB -0.023 28.765 28.738 0.083 0.000 0.947 1158 Q HN 0.169 nan 8.270 nan 0.000 0.462 1159 S N 0.608 116.171 115.700 -0.229 0.000 2.371 1159 S HA -0.108 4.361 4.470 -0.003 0.000 0.224 1159 S C 1.864 176.193 174.600 -0.452 0.000 1.029 1159 S CA 0.911 58.892 58.200 -0.366 0.000 0.978 1159 S CB -0.072 62.916 63.200 -0.352 0.000 0.833 1159 S HN 0.345 nan 8.310 nan 0.000 0.466 1160 R N 1.678 121.964 120.500 -0.358 0.000 2.073 1160 R HA -0.081 4.257 4.340 -0.003 0.000 0.234 1160 R C 1.796 177.941 176.300 -0.259 0.000 1.134 1160 R CA 1.521 57.416 56.100 -0.341 0.000 0.952 1160 R CB -0.289 29.905 30.300 -0.178 0.000 0.850 1160 R HN 0.274 nan 8.270 nan 0.000 0.433 1161 N N 1.058 119.646 118.700 -0.188 0.000 2.069 1161 N HA -0.201 4.537 4.740 -0.003 0.000 0.191 1161 N C 1.718 177.106 175.510 -0.204 0.000 1.031 1161 N CA 1.193 54.168 53.050 -0.124 0.000 0.852 1161 N CB -0.436 38.021 38.487 -0.050 0.000 1.018 1161 N HN 0.193 nan 8.380 nan 0.000 0.423 1162 L N 1.143 122.116 121.223 -0.416 0.000 2.017 1162 L HA -0.032 4.306 4.340 -0.003 0.000 0.208 1162 L C 2.089 178.713 176.870 -0.409 0.000 1.073 1162 L CA 1.735 56.192 54.840 -0.640 0.000 0.745 1162 L CB -1.065 40.327 42.059 -1.112 0.000 0.894 1162 L HN 0.140 nan 8.230 nan 0.000 0.432 1163 A N -0.916 121.613 122.820 -0.485 0.000 1.933 1163 A HA -0.196 4.122 4.320 -0.003 0.000 0.218 1163 A C 1.974 179.550 177.584 -0.013 0.000 1.175 1163 A CA 1.736 53.483 52.037 -0.483 0.000 0.628 1163 A CB -0.806 17.526 19.000 -1.113 0.000 0.814 1163 A HN 0.550 nan 8.150 nan 0.000 0.444 1164 D N -0.512 119.894 120.400 0.011 0.000 2.178 1164 D HA -0.120 4.519 4.640 -0.003 0.000 0.201 1164 D C 1.995 178.401 176.300 0.177 0.000 0.980 1164 D CA 1.507 55.603 54.000 0.159 0.000 0.842 1164 D CB -0.401 40.468 40.800 0.116 0.000 0.948 1164 D HN 0.321 nan 8.370 nan 0.000 0.472 1165 V N 0.108 120.091 119.914 0.115 0.000 2.667 1165 V HA -0.092 4.027 4.120 -0.003 0.000 0.252 1165 V C 1.901 178.181 176.094 0.309 0.000 1.065 1165 V CA 1.060 63.480 62.300 0.201 0.000 1.083 1165 V CB -0.174 31.724 31.823 0.125 0.000 0.692 1165 V HN 0.114 nan 8.190 nan 0.000 0.468 1166 L N 0.498 121.844 121.223 0.205 0.000 2.354 1166 L HA 0.053 4.392 4.340 -0.003 0.000 0.212 1166 L C 2.620 179.503 176.870 0.021 0.000 1.091 1166 L CA 1.171 56.081 54.840 0.116 0.000 0.828 1166 L CB -0.614 41.576 42.059 0.218 0.000 0.973 1166 L HN 0.389 nan 8.230 nan 0.000 0.461 1167 K N 1.456 122.069 120.400 0.355 0.000 2.286 1167 K HA -0.231 4.088 4.320 -0.003 0.000 0.203 1167 K C 1.923 178.643 176.600 0.201 0.000 1.045 1167 K CA 1.923 58.458 56.287 0.414 0.000 0.935 1167 K CB -0.815 32.017 32.500 0.554 0.000 0.737 1167 K HN 0.415 nan 8.250 nan 0.000 0.460 1168 F N 0.738 120.761 119.950 0.121 0.000 2.408 1168 F HA 0.153 4.679 4.527 -0.003 0.000 0.300 1168 F C 2.169 177.993 175.800 0.040 0.000 1.090 1168 F CA 0.316 58.331 58.000 0.025 0.000 1.427 1168 F CB -0.537 38.371 39.000 -0.153 0.000 1.070 1168 F HN 0.023 nan 8.300 nan 0.000 0.549 1169 A N 0.609 123.023 122.820 -0.676 0.000 1.972 1169 A HA -0.095 4.224 4.320 -0.003 0.000 0.219 1169 A C 1.888 179.294 177.584 -0.297 0.000 1.169 1169 A CA 1.386 53.098 52.037 -0.542 0.000 0.635 1169 A CB -1.508 17.053 19.000 -0.731 0.000 0.810 1169 A HN 0.507 nan 8.150 nan 0.000 0.446 1170 F N -0.375 119.498 119.950 -0.129 0.000 2.710 1170 F HA 0.035 4.561 4.527 -0.002 0.000 0.298 1170 F C 0.871 176.660 175.800 -0.019 0.000 1.137 1170 F CA 0.284 58.223 58.000 -0.102 0.000 1.444 1170 F CB 0.204 39.116 39.000 -0.147 0.000 1.111 1170 F HN 0.083 nan 8.300 nan 0.000 0.580 1171 D N 1.568 122.084 120.400 0.193 0.000 2.671 1171 D HA 0.018 4.656 4.640 -0.003 0.000 0.228 1171 D C 0.370 176.758 176.300 0.146 0.000 1.102 1171 D CA 0.243 54.339 54.000 0.161 0.000 1.044 1171 D CB -0.335 40.563 40.800 0.164 0.000 1.113 1171 D HN 0.163 nan 8.370 nan 0.000 0.480 1172 T N -1.554 113.063 114.554 0.106 0.000 2.910 1172 T HA 0.529 4.877 4.350 -0.003 0.000 0.287 1172 T C -1.623 173.095 174.700 0.029 0.000 1.050 1172 T CA -1.551 60.588 62.100 0.066 0.000 1.011 1172 T CB 1.623 70.465 68.868 -0.043 0.000 1.195 1172 T HN -0.226 nan 8.240 nan 0.000 0.540 1173 P HA -0.112 nan 4.420 nan 0.000 0.214 1173 P C 1.879 179.172 177.300 -0.011 0.000 1.163 1173 P CA 1.787 64.885 63.100 -0.004 0.000 0.889 1173 P CB -0.071 31.616 31.700 -0.023 0.000 0.790 1174 S N -2.532 113.120 115.700 -0.079 0.000 2.406 1174 S HA 0.197 4.666 4.470 -0.003 0.000 0.224 1174 S C 1.804 176.415 174.600 0.018 0.000 1.030 1174 S CA 1.057 59.191 58.200 -0.109 0.000 0.958 1174 S CB -0.783 62.153 63.200 -0.440 0.000 0.811 1174 S HN 0.323 nan 8.310 nan 0.000 0.489 1175 G N 0.088 108.885 108.800 -0.006 0.000 2.231 1175 G HA2 -0.178 3.780 3.960 -0.003 0.000 0.206 1175 G HA3 -0.178 3.780 3.960 -0.003 0.000 0.206 1175 G C -0.019 174.934 174.900 0.089 0.000 0.996 1175 G CA -0.162 44.997 45.100 0.098 0.000 0.645 1175 G HN 0.648 nan 8.290 nan 0.000 0.498 1176 V N 4.376 124.232 119.914 -0.097 0.000 2.470 1176 V HA 0.394 4.513 4.120 -0.003 0.000 0.276 1176 V C -0.887 175.078 176.094 -0.216 0.000 1.040 1176 V CA -0.826 61.376 62.300 -0.163 0.000 1.008 1176 V CB 1.139 32.752 31.823 -0.349 0.000 0.990 1176 V HN 0.309 nan 8.190 nan 0.000 0.477 1177 P HA 0.164 nan 4.420 nan 0.000 0.274 1177 P C -1.178 175.904 177.300 -0.363 0.000 1.256 1177 P CA -0.421 62.462 63.100 -0.360 0.000 0.795 1177 P CB 0.709 31.969 31.700 -0.734 0.000 1.038 1178 Y N 0.503 120.658 120.300 -0.242 0.000 2.350 1178 Y HA 0.131 4.679 4.550 -0.002 0.000 0.340 1178 Y C 1.932 177.715 175.900 -0.194 0.000 1.006 1178 Y CA 0.142 58.144 58.100 -0.165 0.000 1.166 1178 Y CB 0.581 38.983 38.460 -0.096 0.000 1.168 1178 Y HN 0.360 nan 8.280 nan 0.000 0.502 1179 N N 2.396 121.086 118.700 -0.016 0.000 2.270 1179 N HA -0.122 4.616 4.740 -0.003 0.000 0.181 1179 N C -0.740 174.784 175.510 0.022 0.000 1.016 1179 N CA 0.823 53.852 53.050 -0.035 0.000 0.870 1179 N CB 0.075 38.542 38.487 -0.033 0.000 0.979 1179 N HN 0.637 nan 8.380 nan 0.000 0.431 1180 N N 0.532 119.268 118.700 0.059 0.000 2.485 1180 N HA 0.315 5.053 4.740 -0.003 0.000 0.243 1180 N C -0.855 174.696 175.510 0.070 0.000 0.987 1180 N CA -0.461 52.629 53.050 0.067 0.000 0.940 1180 N CB 1.352 39.876 38.487 0.062 0.000 1.122 1180 N HN 0.266 nan 8.380 nan 0.000 0.509 1181 I N -1.586 119.037 120.570 0.089 0.000 3.002 1181 I HA 0.602 4.770 4.170 -0.003 0.000 0.310 1181 I C -0.933 175.308 176.117 0.206 0.000 1.087 1181 I CA -1.056 60.336 61.300 0.153 0.000 1.017 1181 I CB 2.264 40.365 38.000 0.168 0.000 1.226 1181 I HN 0.229 nan 8.210 nan 0.000 0.443 1182 N N 4.005 122.848 118.700 0.237 0.000 2.501 1182 N HA 0.327 5.066 4.740 -0.003 0.000 0.245 1182 N C 0.482 176.148 175.510 0.259 0.000 0.974 1182 N CA -0.688 52.466 53.050 0.173 0.000 0.941 1182 N CB 1.353 39.878 38.487 0.064 0.000 1.122 1182 N HN 0.867 nan 8.380 nan 0.000 0.507 1183 I N 1.059 121.818 120.570 0.315 0.000 3.334 1183 I HA -0.028 4.140 4.170 -0.003 0.000 0.282 1183 I C 1.280 177.460 176.117 0.106 0.000 1.313 1183 I CA 0.692 62.220 61.300 0.380 0.000 1.396 1183 I CB -0.295 37.961 38.000 0.427 0.000 1.054 1183 I HN 0.381 nan 8.210 nan 0.000 0.495 1184 T N -1.182 113.363 114.554 -0.015 0.000 2.904 1184 T HA 0.003 4.352 4.350 -0.003 0.000 0.243 1184 T C 2.000 176.476 174.700 -0.374 0.000 1.024 1184 T CA 0.897 62.913 62.100 -0.140 0.000 1.158 1184 T CB -0.677 68.155 68.868 -0.060 0.000 0.867 1184 T HN 0.495 nan 8.240 nan 0.000 0.429 1185 S N 0.930 116.460 115.700 -0.283 0.000 2.414 1185 S HA -0.034 4.434 4.470 -0.003 0.000 0.227 1185 S C 0.917 175.245 174.600 -0.453 0.000 1.022 1185 S CA 1.167 59.169 58.200 -0.329 0.000 0.958 1185 S CB -0.780 62.327 63.200 -0.154 0.000 0.797 1185 S HN 0.837 nan 8.310 nan 0.000 0.493 1186 H N -0.604 118.284 119.070 -0.304 0.000 3.282 1186 H HA -0.085 4.469 4.556 -0.002 0.000 0.202 1186 H C 0.672 175.902 175.328 -0.162 0.000 1.097 1186 H CA -0.210 55.488 56.048 -0.583 0.000 1.151 1186 H CB -1.658 27.704 29.762 -0.667 0.000 1.128 1186 H HN 0.634 nan 8.280 nan 0.000 0.319 1187 G N 0.274 109.075 108.800 0.002 0.000 2.588 1187 G HA2 0.462 4.421 3.960 -0.003 0.000 0.281 1187 G HA3 0.462 4.421 3.960 -0.003 0.000 0.281 1187 G C 0.238 175.125 174.900 -0.023 0.000 1.236 1187 G CA 0.156 45.238 45.100 -0.029 0.000 0.969 1187 G HN 0.430 nan 8.290 nan 0.000 0.504 1188 N N -2.575 116.043 118.700 -0.136 0.000 3.387 1188 N HA 0.321 5.059 4.740 -0.003 0.000 0.322 1188 N C -0.008 175.446 175.510 -0.093 0.000 1.588 1188 N CA -0.233 52.725 53.050 -0.154 0.000 0.778 1188 N CB 0.930 39.133 38.487 -0.474 0.000 1.883 1188 N HN 0.343 nan 8.380 nan 0.000 0.628 1189 D N -2.260 118.115 120.400 -0.041 0.000 2.340 1189 D HA 0.171 4.809 4.640 -0.003 0.000 0.220 1189 D C 1.010 177.315 176.300 0.009 0.000 1.039 1189 D CA 0.521 54.520 54.000 -0.001 0.000 0.866 1189 D CB -0.632 40.185 40.800 0.027 0.000 0.913 1189 D HN 1.024 nan 8.370 nan 0.000 0.523 1190 G N -0.254 108.547 108.800 0.001 0.000 2.157 1190 G HA2 -0.168 3.791 3.960 -0.003 0.000 0.248 1190 G HA3 -0.168 3.791 3.960 -0.003 0.000 0.248 1190 G C 0.532 175.495 174.900 0.105 0.000 0.979 1190 G CA 0.164 45.290 45.100 0.043 0.000 0.650 1190 G HN 0.813 nan 8.290 nan 0.000 0.529 1191 A N -0.034 122.877 122.820 0.151 0.000 2.425 1191 A HA 0.653 4.971 4.320 -0.003 0.000 0.242 1191 A C 1.604 179.245 177.584 0.096 0.000 1.077 1191 A CA 1.530 53.630 52.037 0.105 0.000 0.781 1191 A CB 0.318 19.366 19.000 0.080 0.000 1.020 1191 A HN 1.456 nan 8.150 nan 0.000 0.494 1192 T N -1.906 112.649 114.554 0.002 0.000 3.014 1192 T HA 0.257 4.605 4.350 -0.003 0.000 0.250 1192 T C 0.654 175.273 174.700 -0.134 0.000 1.060 1192 T CA 0.815 62.885 62.100 -0.049 0.000 1.040 1192 T CB -0.441 68.406 68.868 -0.036 0.000 0.971 1192 T HN 1.142 nan 8.240 nan 0.000 0.497 1193 T N 0.089 114.563 114.554 -0.133 0.000 2.907 1193 T HA 0.680 5.029 4.350 -0.003 0.000 0.292 1193 T C -1.309 173.275 174.700 -0.193 0.000 1.043 1193 T CA -0.913 61.076 62.100 -0.185 0.000 1.003 1193 T CB 2.096 70.872 68.868 -0.153 0.000 1.084 1193 T HN 0.057 nan 8.240 nan 0.000 0.483 1194 N N -0.238 118.315 118.700 -0.246 0.000 2.314 1194 N HA 0.635 5.373 4.740 -0.003 0.000 0.304 1194 N C 0.307 175.673 175.510 -0.239 0.000 1.073 1194 N CA -0.180 52.731 53.050 -0.232 0.000 0.822 1194 N CB 1.719 40.044 38.487 -0.271 0.000 1.280 1194 N HN 1.059 nan 8.380 nan 0.000 0.489 1195 G N 1.182 109.857 108.800 -0.208 0.000 2.594 1195 G HA2 0.091 4.050 3.960 -0.003 0.000 0.243 1195 G HA3 0.091 4.050 3.960 -0.003 0.000 0.243 1195 G C 1.005 175.748 174.900 -0.261 0.000 1.229 1195 G CA -0.348 44.624 45.100 -0.213 0.000 0.843 1195 G HN 0.616 nan 8.290 nan 0.000 0.578 1196 L N 2.181 123.254 121.223 -0.249 0.000 1.994 1196 L HA -0.011 4.327 4.340 -0.003 0.000 0.208 1196 L C 2.946 179.645 176.870 -0.285 0.000 1.071 1196 L CA 2.946 57.602 54.840 -0.306 0.000 0.745 1196 L CB -0.739 41.170 42.059 -0.251 0.000 0.892 1196 L HN 0.576 nan 8.230 nan 0.000 0.431 1197 A N -0.690 121.974 122.820 -0.260 0.000 1.902 1197 A HA -0.147 4.172 4.320 -0.003 0.000 0.217 1197 A C 2.251 179.588 177.584 -0.412 0.000 1.181 1197 A CA 2.242 54.099 52.037 -0.301 0.000 0.623 1197 A CB -1.399 17.387 19.000 -0.356 0.000 0.818 1197 A HN 0.572 nan 8.150 nan 0.000 0.443 1198 V N -3.060 116.559 119.914 -0.491 0.000 2.913 1198 V HA -0.103 4.015 4.120 -0.003 0.000 0.260 1198 V C 1.928 177.904 176.094 -0.197 0.000 1.098 1198 V CA 2.477 64.504 62.300 -0.455 0.000 1.121 1198 V CB -1.371 30.221 31.823 -0.383 0.000 0.714 1198 V HN 0.401 nan 8.190 nan 0.000 0.487 1199 T N 0.959 115.393 114.554 -0.200 0.000 3.009 1199 T HA 0.203 4.551 4.350 -0.003 0.000 0.258 1199 T C 1.625 176.299 174.700 -0.042 0.000 1.063 1199 T CA 1.155 63.173 62.100 -0.136 0.000 1.139 1199 T CB -0.092 68.651 68.868 -0.209 0.000 0.890 1199 T HN 0.654 nan 8.240 nan 0.000 0.471 1200 G N 0.830 109.605 108.800 -0.041 0.000 3.284 1200 G HA2 0.182 4.140 3.960 -0.003 0.000 0.236 1200 G HA3 0.182 4.140 3.960 -0.003 0.000 0.236 1200 G C 0.444 175.411 174.900 0.111 0.000 1.158 1200 G CA -0.060 45.115 45.100 0.127 0.000 0.774 1200 G HN 0.395 nan 8.290 nan 0.000 0.545 1201 T N 1.121 115.684 114.554 0.015 0.000 3.393 1201 T HA 0.383 4.731 4.350 -0.003 0.000 0.255 1201 T C 0.994 175.796 174.700 0.170 0.000 1.008 1201 T CA -0.245 61.752 62.100 -0.173 0.000 1.053 1201 T CB 0.135 68.856 68.868 -0.244 0.000 1.120 1201 T HN 0.140 nan 8.240 nan 0.000 0.538 1202 L N -1.018 120.388 121.223 0.306 0.000 2.885 1202 L HA 0.307 4.646 4.340 -0.003 0.000 0.251 1202 L C 2.280 179.377 176.870 0.379 0.000 1.071 1202 L CA 0.002 55.054 54.840 0.353 0.000 0.956 1202 L CB -0.309 41.856 42.059 0.176 0.000 1.483 1202 L HN 0.213 nan 8.230 nan 0.000 0.525 1203 V N 1.159 121.253 119.914 0.300 0.000 2.453 1203 V HA -0.282 3.836 4.120 -0.003 0.000 0.252 1203 V C 2.383 178.497 176.094 0.033 0.000 1.068 1203 V CA 2.244 64.655 62.300 0.185 0.000 1.070 1203 V CB 0.025 31.956 31.823 0.179 0.000 0.664 1203 V HN 0.389 nan 8.190 nan 0.000 0.461 1204 L N 0.320 121.531 121.223 -0.019 0.000 2.005 1204 L HA -0.088 4.250 4.340 -0.003 0.000 0.207 1204 L C 2.322 179.075 176.870 -0.196 0.000 1.072 1204 L CA 2.350 57.000 54.840 -0.317 0.000 0.744 1204 L CB -0.894 40.834 42.059 -0.553 0.000 0.895 1204 L HN 0.373 nan 8.230 nan 0.000 0.433 1205 E N -0.967 119.254 120.200 0.035 0.000 2.031 1205 E HA -0.223 4.125 4.350 -0.003 0.000 0.193 1205 E C 1.866 178.451 176.600 -0.024 0.000 0.994 1205 E CA 2.057 58.467 56.400 0.017 0.000 0.800 1205 E CB -0.571 29.204 29.700 0.125 0.000 0.752 1205 E HN 0.546 nan 8.360 nan 0.000 0.447 1206 W N 0.804 122.086 121.300 -0.030 0.000 2.388 1206 W HA -0.079 4.580 4.660 -0.003 0.000 0.294 1206 W C 2.386 178.903 176.519 -0.004 0.000 1.212 1206 W CA 1.536 58.875 57.345 -0.010 0.000 1.271 1206 W CB -0.820 28.674 29.460 0.057 0.000 1.126 1206 W HN 0.030 nan 8.180 nan 0.000 0.535 1207 T N -0.219 114.419 114.554 0.141 0.000 2.777 1207 T HA -0.188 4.161 4.350 -0.003 0.000 0.266 1207 T C 1.807 176.508 174.700 0.002 0.000 1.040 1207 T CA 1.522 63.668 62.100 0.077 0.000 1.141 1207 T CB -0.243 68.631 68.868 0.010 0.000 0.868 1207 T HN -0.117 nan 8.240 nan 0.000 0.444 1208 R N 1.194 121.605 120.500 -0.148 0.000 2.105 1208 R HA -0.004 4.335 4.340 -0.003 0.000 0.239 1208 R C 2.112 178.377 176.300 -0.058 0.000 1.135 1208 R CA 1.067 57.103 56.100 -0.105 0.000 0.967 1208 R CB -1.109 29.086 30.300 -0.174 0.000 0.861 1208 R HN 0.324 nan 8.270 nan 0.000 0.442 1209 L N -0.064 121.084 121.223 -0.125 0.000 2.083 1209 L HA -0.046 4.292 4.340 -0.003 0.000 0.209 1209 L C 1.930 178.792 176.870 -0.014 0.000 1.083 1209 L CA 1.880 56.599 54.840 -0.202 0.000 0.752 1209 L CB -0.731 41.032 42.059 -0.493 0.000 0.899 1209 L HN 0.148 nan 8.230 nan 0.000 0.433 1210 S N -0.465 115.316 115.700 0.136 0.000 2.368 1210 S HA -0.155 4.314 4.470 -0.003 0.000 0.224 1210 S C 1.541 176.208 174.600 0.112 0.000 1.029 1210 S CA 1.242 59.563 58.200 0.201 0.000 0.988 1210 S CB -0.368 62.949 63.200 0.194 0.000 0.838 1210 S HN 0.522 nan 8.310 nan 0.000 0.462 1211 D N 1.437 121.901 120.400 0.106 0.000 2.149 1211 D HA -0.039 4.600 4.640 -0.003 0.000 0.198 1211 D C 1.801 178.137 176.300 0.061 0.000 0.990 1211 D CA 0.807 54.867 54.000 0.100 0.000 0.839 1211 D CB -0.257 40.643 40.800 0.166 0.000 0.948 1211 D HN 0.313 nan 8.370 nan 0.000 0.460 1212 L N 0.274 121.514 121.223 0.028 0.000 2.095 1212 L HA -0.069 4.270 4.340 -0.003 0.000 0.204 1212 L C 2.563 179.422 176.870 -0.017 0.000 1.080 1212 L CA 1.411 56.244 54.840 -0.012 0.000 0.759 1212 L CB -0.556 41.439 42.059 -0.107 0.000 0.914 1212 L HN 0.149 nan 8.230 nan 0.000 0.439 1213 T N -3.834 110.717 114.554 -0.005 0.000 2.814 1213 T HA 0.142 4.491 4.350 -0.003 0.000 0.254 1213 T C 1.559 176.282 174.700 0.038 0.000 1.037 1213 T CA 0.941 63.051 62.100 0.018 0.000 1.143 1213 T CB 0.200 69.110 68.868 0.071 0.000 0.866 1213 T HN 0.415 nan 8.240 nan 0.000 0.431 1214 G N 0.967 109.799 108.800 0.053 0.000 2.255 1214 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.196 1214 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.196 1214 G C -0.227 174.689 174.900 0.027 0.000 0.998 1214 G CA 0.055 45.177 45.100 0.036 0.000 0.656 1214 G HN 0.701 nan 8.290 nan 0.000 0.490 1215 D N 1.316 121.740 120.400 0.040 0.000 2.365 1215 D HA 0.406 5.045 4.640 -0.003 0.000 0.237 1215 D C 1.248 177.510 176.300 -0.063 0.000 1.190 1215 D CA -0.404 53.575 54.000 -0.035 0.000 0.867 1215 D CB 0.704 41.466 40.800 -0.064 0.000 1.050 1215 D HN 0.180 nan 8.370 nan 0.000 0.491 1216 E N 2.592 122.757 120.200 -0.059 0.000 2.516 1216 E HA -0.130 4.218 4.350 -0.003 0.000 0.199 1216 E C 1.271 177.816 176.600 -0.091 0.000 1.069 1216 E CA 0.129 56.509 56.400 -0.032 0.000 0.876 1216 E CB 0.225 29.917 29.700 -0.013 0.000 0.843 1216 E HN 0.722 nan 8.360 nan 0.000 0.530 1217 E N 0.038 120.087 120.200 -0.251 0.000 2.085 1217 E HA -0.217 4.131 4.350 -0.003 0.000 0.194 1217 E C 1.209 177.700 176.600 -0.181 0.000 0.994 1217 E CA 1.049 57.280 56.400 -0.283 0.000 0.801 1217 E CB -0.016 29.424 29.700 -0.434 0.000 0.743 1217 E HN 0.244 nan 8.360 nan 0.000 0.453 1218 Y N 0.344 120.715 120.300 0.117 0.000 2.145 1218 Y HA -0.137 4.411 4.550 -0.003 0.000 0.286 1218 Y C 2.446 178.461 175.900 0.193 0.000 1.145 1218 Y CA 1.049 59.305 58.100 0.261 0.000 1.148 1218 Y CB -1.073 37.481 38.460 0.157 0.000 0.981 1218 Y HN 0.153 nan 8.280 nan 0.000 0.507 1219 A N 0.286 123.255 122.820 0.249 0.000 1.933 1219 A HA -0.195 4.123 4.320 -0.003 0.000 0.218 1219 A C 2.203 179.832 177.584 0.076 0.000 1.175 1219 A CA 1.750 53.890 52.037 0.172 0.000 0.628 1219 A CB -0.563 18.534 19.000 0.162 0.000 0.814 1219 A HN 0.436 nan 8.150 nan 0.000 0.444 1220 K N -0.382 120.031 120.400 0.022 0.000 2.026 1220 K HA -0.052 4.267 4.320 -0.003 0.000 0.208 1220 K C 1.882 178.418 176.600 -0.107 0.000 1.048 1220 K CA 1.414 57.686 56.287 -0.025 0.000 0.929 1220 K CB -0.399 32.079 32.500 -0.037 0.000 0.713 1220 K HN 0.459 nan 8.250 nan 0.000 0.439 1221 L N 0.963 122.060 121.223 -0.211 0.000 1.994 1221 L HA -0.215 4.123 4.340 -0.003 0.000 0.208 1221 L C 2.701 179.119 176.870 -0.753 0.000 1.071 1221 L CA 1.648 56.177 54.840 -0.518 0.000 0.745 1221 L CB -0.682 40.933 42.059 -0.741 0.000 0.892 1221 L HN 0.280 nan 8.230 nan 0.000 0.431 1222 S N -0.922 114.390 115.700 -0.647 0.000 2.383 1222 S HA -0.216 4.252 4.470 -0.003 0.000 0.227 1222 S C 1.849 176.394 174.600 -0.092 0.000 1.026 1222 S CA 0.862 58.802 58.200 -0.433 0.000 0.981 1222 S CB -0.390 62.710 63.200 -0.168 0.000 0.818 1222 S HN 0.468 nan 8.310 nan 0.000 0.472 1223 Q N 0.671 120.469 119.800 -0.003 0.000 2.230 1223 Q HA 0.050 4.388 4.340 -0.003 0.000 0.202 1223 Q C 2.074 178.111 176.000 0.062 0.000 0.963 1223 Q CA 1.142 57.018 55.803 0.122 0.000 0.866 1223 Q CB -0.164 28.690 28.738 0.194 0.000 0.931 1223 Q HN 0.482 nan 8.270 nan 0.000 0.452 1224 K N 1.275 121.670 120.400 -0.010 0.000 2.057 1224 K HA -0.069 4.249 4.320 -0.003 0.000 0.206 1224 K C 1.798 178.447 176.600 0.082 0.000 1.050 1224 K CA 1.363 57.649 56.287 -0.001 0.000 0.935 1224 K CB -0.361 32.135 32.500 -0.006 0.000 0.715 1224 K HN 0.148 nan 8.250 nan 0.000 0.439 1225 A N 0.438 123.312 122.820 0.089 0.000 1.898 1225 A HA -0.142 4.176 4.320 -0.003 0.000 0.216 1225 A C 2.116 179.803 177.584 0.171 0.000 1.181 1225 A CA 1.875 54.023 52.037 0.184 0.000 0.620 1225 A CB -0.656 18.454 19.000 0.183 0.000 0.819 1225 A HN 0.500 nan 8.150 nan 0.000 0.442 1226 E N 0.697 120.966 120.200 0.115 0.000 2.153 1226 E HA -0.154 4.195 4.350 -0.003 0.000 0.194 1226 E C 2.100 178.727 176.600 0.045 0.000 0.988 1226 E CA 1.526 57.990 56.400 0.106 0.000 0.811 1226 E CB -0.277 29.523 29.700 0.167 0.000 0.746 1226 E HN 0.703 nan 8.360 nan 0.000 0.466 1227 S N -0.583 115.111 115.700 -0.010 0.000 2.374 1227 S HA -0.265 4.204 4.470 -0.003 0.000 0.227 1227 S C 1.839 176.347 174.600 -0.154 0.000 1.037 1227 S CA 1.420 59.541 58.200 -0.133 0.000 1.024 1227 S CB -0.928 62.116 63.200 -0.260 0.000 0.861 1227 S HN 0.460 nan 8.310 nan 0.000 0.456 1228 Y N 1.921 122.216 120.300 -0.009 0.000 2.421 1228 Y HA 0.192 4.741 4.550 -0.003 0.000 0.292 1228 Y C 2.164 178.110 175.900 0.075 0.000 1.136 1228 Y CA 0.668 58.770 58.100 0.003 0.000 1.255 1228 Y CB -0.440 37.975 38.460 -0.075 0.000 0.991 1228 Y HN 0.255 nan 8.280 nan 0.000 0.552 1229 L N -1.098 120.214 121.223 0.148 0.000 2.307 1229 L HA -0.040 4.299 4.340 -0.003 0.000 0.211 1229 L C 1.681 178.644 176.870 0.155 0.000 1.099 1229 L CA 0.552 55.469 54.840 0.128 0.000 0.816 1229 L CB -0.335 41.642 42.059 -0.138 0.000 0.952 1229 L HN 0.239 nan 8.230 nan 0.000 0.455 1230 L N -0.297 120.982 121.223 0.094 0.000 2.418 1230 L HA 0.010 4.349 4.340 -0.003 0.000 0.218 1230 L C 0.585 177.484 176.870 0.049 0.000 1.125 1230 L CA 0.818 55.691 54.840 0.054 0.000 0.835 1230 L CB -0.073 41.946 42.059 -0.067 0.000 0.953 1230 L HN 0.157 nan 8.230 nan 0.000 0.454 1231 K N 1.298 121.730 120.400 0.053 0.000 2.920 1231 K HA 0.294 4.612 4.320 -0.003 0.000 0.175 1231 K C -2.529 174.119 176.600 0.079 0.000 1.099 1231 K CA -1.410 54.901 56.287 0.040 0.000 0.939 1231 K CB 1.234 33.740 32.500 0.009 0.000 1.148 1231 K HN -0.123 nan 8.250 nan 0.000 0.613 1232 P HA 0.001 nan 4.420 nan 0.000 0.268 1232 P C -0.818 176.490 177.300 0.014 0.000 1.204 1232 P CA 0.157 63.274 63.100 0.029 0.000 0.768 1232 P CB 0.933 32.450 31.700 -0.305 0.000 0.842 1233 Q N 3.006 122.877 119.800 0.119 0.000 2.379 1233 Q HA 0.455 4.794 4.340 -0.003 0.000 0.278 1233 Q C -2.688 173.387 176.000 0.126 0.000 1.068 1233 Q CA -2.160 53.693 55.803 0.084 0.000 0.816 1233 Q CB 2.279 31.076 28.738 0.099 0.000 1.387 1233 Q HN 0.316 nan 8.270 nan 0.000 0.413 1234 P HA -0.013 nan 4.420 nan 0.000 0.274 1234 P C 0.532 177.810 177.300 -0.037 0.000 1.256 1234 P CA -0.198 62.907 63.100 0.010 0.000 0.795 1234 P CB 0.599 32.301 31.700 0.004 0.000 1.038 1235 S N -0.797 114.879 115.700 -0.040 0.000 2.442 1235 S HA -0.157 4.311 4.470 -0.003 0.000 0.236 1235 S C 1.705 176.251 174.600 -0.090 0.000 1.007 1235 S CA 1.545 59.706 58.200 -0.065 0.000 0.965 1235 S CB -1.650 61.524 63.200 -0.044 0.000 0.773 1235 S HN 0.515 nan 8.310 nan 0.000 0.504 1236 S N 0.949 116.604 115.700 -0.075 0.000 2.507 1236 S HA 0.061 4.530 4.470 -0.003 0.000 0.235 1236 S C 1.673 176.206 174.600 -0.111 0.000 0.988 1236 S CA 0.847 58.996 58.200 -0.085 0.000 0.944 1236 S CB -0.681 62.484 63.200 -0.059 0.000 0.762 1236 S HN 0.469 nan 8.310 nan 0.000 0.526 1237 S N 0.985 116.604 115.700 -0.136 0.000 2.562 1237 S HA 0.138 4.606 4.470 -0.003 0.000 0.221 1237 S C 0.637 175.053 174.600 -0.307 0.000 0.975 1237 S CA 0.080 58.156 58.200 -0.207 0.000 0.918 1237 S CB -0.090 62.956 63.200 -0.257 0.000 0.772 1237 S HN 0.698 nan 8.310 nan 0.000 0.531 1238 E N 1.377 121.428 120.200 -0.248 0.000 2.916 1238 E HA 0.207 4.556 4.350 -0.003 0.000 0.217 1238 E C -2.256 174.227 176.600 -0.194 0.000 1.100 1238 E CA -2.122 54.151 56.400 -0.211 0.000 0.891 1238 E CB 0.753 30.345 29.700 -0.179 0.000 1.311 1238 E HN 0.066 nan 8.360 nan 0.000 0.421 1239 P HA -0.084 nan 4.420 nan 0.000 0.216 1239 P C -0.497 176.307 177.300 -0.826 0.000 1.150 1239 P CA 1.283 64.063 63.100 -0.533 0.000 0.843 1239 P CB 0.135 31.502 31.700 -0.555 0.000 0.787 1240 F N -2.909 116.971 119.950 -0.116 0.000 2.588 1240 F HA 0.430 4.955 4.527 -0.003 0.000 0.314 1240 F C -2.335 173.447 175.800 -0.030 0.000 1.069 1240 F CA -3.250 54.683 58.000 -0.111 0.000 0.931 1240 F CB 1.238 40.146 39.000 -0.154 0.000 1.260 1240 F HN -0.462 nan 8.300 nan 0.000 0.465 1241 P HA 0.114 nan 4.420 nan 0.000 0.261 1241 P C 0.631 178.002 177.300 0.119 0.000 1.183 1241 P CA 1.288 64.455 63.100 0.112 0.000 0.761 1241 P CB 0.391 32.150 31.700 0.098 0.000 0.785 1242 G N 2.575 111.439 108.800 0.108 0.000 2.245 1242 G HA2 -0.267 3.691 3.960 -0.003 0.000 0.264 1242 G HA3 -0.267 3.691 3.960 -0.003 0.000 0.264 1242 G C -0.077 174.983 174.900 0.267 0.000 0.985 1242 G CA -0.224 44.970 45.100 0.156 0.000 0.625 1242 G HN 0.478 nan 8.290 nan 0.000 0.536 1243 L N 1.335 122.698 121.223 0.235 0.000 2.272 1243 L HA 0.670 5.008 4.340 -0.003 0.000 0.289 1243 L C 0.790 177.770 176.870 0.184 0.000 1.032 1243 L CA -1.015 54.014 54.840 0.314 0.000 0.810 1243 L CB 1.540 43.785 42.059 0.309 0.000 1.205 1243 L HN 0.258 nan 8.230 nan 0.000 0.422 1244 V N 0.319 120.351 119.914 0.197 0.000 3.158 1244 V HA 0.855 4.973 4.120 -0.003 0.000 0.315 1244 V C 0.557 176.634 176.094 -0.028 0.000 1.148 1244 V CA -0.653 61.576 62.300 -0.118 0.000 1.042 1244 V CB 1.374 32.949 31.823 -0.414 0.000 1.101 1244 V HN 0.671 nan 8.190 nan 0.000 0.448 1245 G N 0.335 109.040 108.800 -0.159 0.000 2.716 1245 G HA2 0.370 4.328 3.960 -0.003 0.000 0.251 1245 G HA3 0.370 4.328 3.960 -0.003 0.000 0.251 1245 G C 0.588 175.643 174.900 0.257 0.000 1.224 1245 G CA 0.211 45.390 45.100 0.131 0.000 0.891 1245 G HN 1.051 nan 8.290 nan 0.000 0.561 1246 S N -0.710 115.081 115.700 0.151 0.000 2.575 1246 S HA 0.291 4.760 4.470 -0.003 0.000 0.215 1246 S C 0.571 175.151 174.600 -0.033 0.000 0.966 1246 S CA -0.005 58.229 58.200 0.057 0.000 0.911 1246 S CB 0.239 63.463 63.200 0.041 0.000 0.780 1246 S HN 0.447 nan 8.310 nan 0.000 0.514 1247 S N 0.843 116.516 115.700 -0.045 0.000 2.536 1247 S HA 0.650 5.119 4.470 -0.003 0.000 0.271 1247 S C -1.276 173.142 174.600 -0.304 0.000 1.134 1247 S CA -0.638 57.463 58.200 -0.165 0.000 0.897 1247 S CB 1.601 64.736 63.200 -0.107 0.000 1.094 1247 S HN 0.096 nan 8.310 nan 0.000 0.473 1248 I N 2.375 122.695 120.570 -0.416 0.000 2.466 1248 I HA 0.331 4.499 4.170 -0.003 0.000 0.289 1248 I C -0.248 175.644 176.117 -0.375 0.000 1.026 1248 I CA -0.481 60.493 61.300 -0.542 0.000 1.078 1248 I CB 1.463 39.020 38.000 -0.738 0.000 1.249 1248 I HN 0.529 nan 8.210 nan 0.000 0.429 1249 N N 5.251 123.767 118.700 -0.307 0.000 2.447 1249 N HA 0.164 4.902 4.740 -0.003 0.000 0.263 1249 N C 1.130 176.450 175.510 -0.316 0.000 1.226 1249 N CA -0.015 52.885 53.050 -0.250 0.000 0.906 1249 N CB 0.911 39.290 38.487 -0.180 0.000 1.060 1249 N HN 0.587 nan 8.380 nan 0.000 0.468 1250 I N 1.601 121.982 120.570 -0.315 0.000 2.546 1250 I HA -0.211 3.958 4.170 -0.003 0.000 0.255 1250 I C 1.504 177.439 176.117 -0.304 0.000 1.163 1250 I CA 0.734 61.806 61.300 -0.380 0.000 1.457 1250 I CB -0.084 37.593 38.000 -0.537 0.000 1.092 1250 I HN 0.558 nan 8.210 nan 0.000 0.434 1251 N N 0.969 119.538 118.700 -0.218 0.000 2.216 1251 N HA -0.141 4.598 4.740 -0.003 0.000 0.183 1251 N C 1.138 176.557 175.510 -0.153 0.000 1.017 1251 N CA 1.605 54.566 53.050 -0.148 0.000 0.861 1251 N CB -0.124 38.309 38.487 -0.089 0.000 0.986 1251 N HN 0.518 nan 8.380 nan 0.000 0.428 1252 D N -2.915 117.373 120.400 -0.187 0.000 2.500 1252 D HA 0.212 4.851 4.640 -0.003 0.000 0.217 1252 D C 1.048 177.177 176.300 -0.285 0.000 1.159 1252 D CA 0.523 54.423 54.000 -0.166 0.000 0.828 1252 D CB -0.062 40.690 40.800 -0.079 0.000 1.039 1252 D HN 0.129 nan 8.370 nan 0.000 0.512 1253 G N 0.236 108.735 108.800 -0.502 0.000 2.176 1253 G HA2 -0.272 3.687 3.960 -0.003 0.000 0.253 1253 G HA3 -0.272 3.687 3.960 -0.003 0.000 0.253 1253 G C 0.024 174.752 174.900 -0.287 0.000 0.979 1253 G CA 0.027 44.646 45.100 -0.802 0.000 0.641 1253 G HN 0.382 nan 8.290 nan 0.000 0.530 1254 Q N -0.468 119.238 119.800 -0.156 0.000 2.259 1254 Q HA 0.559 4.898 4.340 -0.003 0.000 0.249 1254 Q C 0.086 176.057 176.000 -0.049 0.000 0.914 1254 Q CA -0.520 55.282 55.803 -0.002 0.000 0.904 1254 Q CB 0.918 29.662 28.738 0.010 0.000 1.213 1254 Q HN 0.217 nan 8.270 nan 0.000 0.428 1255 F N 0.265 120.168 119.950 -0.079 0.000 2.459 1255 F HA 0.094 4.620 4.527 -0.003 0.000 0.346 1255 F C 1.117 176.869 175.800 -0.080 0.000 1.128 1255 F CA 0.171 58.117 58.000 -0.091 0.000 1.268 1255 F CB 0.660 39.611 39.000 -0.080 0.000 1.161 1255 F HN 0.681 nan 8.300 nan 0.000 0.583 1256 A N 1.152 124.005 122.820 0.054 0.000 2.303 1256 A HA 0.246 4.565 4.320 -0.003 0.000 0.217 1256 A C -0.288 177.313 177.584 0.028 0.000 1.205 1256 A CA 0.559 52.603 52.037 0.012 0.000 0.875 1256 A CB -0.667 18.307 19.000 -0.044 0.000 0.910 1256 A HN 0.807 nan 8.150 nan 0.000 0.501 1257 D N -3.274 117.168 120.400 0.070 0.000 2.677 1257 D HA 0.414 5.053 4.640 -0.003 0.000 0.298 1257 D C -0.110 176.216 176.300 0.042 0.000 1.250 1257 D CA 0.216 54.238 54.000 0.037 0.000 0.888 1257 D CB 0.528 41.339 40.800 0.018 0.000 1.397 1257 D HN -0.022 nan 8.370 nan 0.000 0.461 1258 S N -1.475 114.227 115.700 0.002 0.000 2.741 1258 S HA 0.328 4.797 4.470 -0.003 0.000 0.247 1258 S C -0.092 174.514 174.600 0.010 0.000 1.050 1258 S CA -0.850 57.340 58.200 -0.017 0.000 1.025 1258 S CB -0.318 62.850 63.200 -0.054 0.000 0.897 1258 S HN 0.418 nan 8.310 nan 0.000 0.508 1259 R N 1.036 121.556 120.500 0.033 0.000 2.298 1259 R HA 0.597 4.935 4.340 -0.003 0.000 0.310 1259 R C -0.970 175.410 176.300 0.133 0.000 1.068 1259 R CA -0.295 55.840 56.100 0.059 0.000 0.957 1259 R CB 1.202 31.524 30.300 0.038 0.000 1.003 1259 R HN 0.189 nan 8.270 nan 0.000 0.454 1260 V N 2.352 122.390 119.914 0.206 0.000 2.555 1260 V HA 0.628 4.746 4.120 -0.003 0.000 0.302 1260 V C -0.259 176.030 176.094 0.326 0.000 1.038 1260 V CA -0.369 62.104 62.300 0.289 0.000 0.887 1260 V CB 1.721 33.746 31.823 0.337 0.000 0.991 1260 V HN 1.031 nan 8.190 nan 0.000 0.434 1261 S N 3.014 118.948 115.700 0.390 0.000 2.627 1261 S HA 0.410 4.879 4.470 -0.003 0.000 0.268 1261 S C -1.609 173.343 174.600 0.587 0.000 1.130 1261 S CA -0.633 57.829 58.200 0.437 0.000 0.819 1261 S CB 0.954 64.333 63.200 0.299 0.000 1.100 1261 S HN 0.472 nan 8.310 nan 0.000 0.465 1262 W N 1.855 123.314 121.300 0.266 0.000 3.102 1262 W HA 0.474 5.132 4.660 -0.003 0.000 0.401 1262 W C 0.433 177.170 176.519 0.363 0.000 1.070 1262 W CA -0.678 56.890 57.345 0.372 0.000 1.921 1262 W CB -0.346 29.291 29.460 0.296 0.000 1.118 1262 W HN 0.551 nan 8.180 nan 0.000 0.647 1263 N N -0.036 118.908 118.700 0.407 0.000 2.366 1263 N HA 0.266 5.004 4.740 -0.003 0.000 0.277 1263 N C 0.724 176.348 175.510 0.190 0.000 1.275 1263 N CA 0.107 53.316 53.050 0.265 0.000 0.964 1263 N CB -0.117 38.466 38.487 0.160 0.000 1.167 1263 N HN -0.038 nan 8.380 nan 0.000 0.568 1264 G N -1.995 106.881 108.800 0.125 0.000 2.353 1264 G HA2 0.339 4.297 3.960 -0.003 0.000 0.239 1264 G HA3 0.339 4.297 3.960 -0.003 0.000 0.239 1264 G C 0.985 175.899 174.900 0.024 0.000 1.295 1264 G CA 0.406 45.544 45.100 0.064 0.000 0.884 1264 G HN 0.789 nan 8.290 nan 0.000 0.537 1265 G N 1.924 110.697 108.800 -0.046 0.000 2.254 1265 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.225 1265 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.225 1265 G C 0.673 175.519 174.900 -0.089 0.000 1.003 1265 G CA 0.896 45.943 45.100 -0.088 0.000 0.622 1265 G HN 0.666 nan 8.290 nan 0.000 0.507 1266 D N 0.473 120.866 120.400 -0.011 0.000 2.932 1266 D HA 0.198 4.836 4.640 -0.003 0.000 0.294 1266 D C 1.925 178.241 176.300 0.026 0.000 1.119 1266 D CA 0.845 54.863 54.000 0.031 0.000 0.980 1266 D CB -0.239 40.670 40.800 0.182 0.000 1.361 1266 D HN 0.350 nan 8.370 nan 0.000 0.466 1267 D N 1.700 122.156 120.400 0.093 0.000 2.984 1267 D HA -0.337 4.301 4.640 -0.003 0.000 0.266 1267 D C 1.671 177.802 176.300 -0.281 0.000 1.083 1267 D CA 2.992 56.992 54.000 0.000 0.000 0.985 1267 D CB -1.337 39.372 40.800 -0.151 0.000 1.137 1267 D HN 0.274 nan 8.370 nan 0.000 0.495 1268 S N -0.888 114.574 115.700 -0.396 0.000 2.493 1268 S HA -0.173 4.296 4.470 -0.003 0.000 0.243 1268 S C 1.841 176.279 174.600 -0.269 0.000 0.991 1268 S CA 0.968 58.933 58.200 -0.391 0.000 0.957 1268 S CB -1.008 61.974 63.200 -0.363 0.000 0.756 1268 S HN 0.451 nan 8.310 nan 0.000 0.521 1269 F N 2.314 122.053 119.950 -0.352 0.000 2.102 1269 F HA -0.045 4.480 4.527 -0.003 0.000 0.298 1269 F C 1.908 177.557 175.800 -0.251 0.000 1.105 1269 F CA 0.802 58.598 58.000 -0.341 0.000 1.239 1269 F CB -0.837 37.867 39.000 -0.492 0.000 0.991 1269 F HN 0.160 nan 8.300 nan 0.000 0.474 1270 Y N 0.586 120.573 120.300 -0.522 0.000 2.242 1270 Y HA -0.163 4.386 4.550 -0.003 0.000 0.291 1270 Y C 2.709 178.547 175.900 -0.104 0.000 1.137 1270 Y CA 1.506 59.283 58.100 -0.538 0.000 1.181 1270 Y CB -0.781 37.210 38.460 -0.782 0.000 0.989 1270 Y HN 0.229 nan 8.280 nan 0.000 0.527 1271 E N -0.148 120.139 120.200 0.146 0.000 2.058 1271 E HA -0.251 4.097 4.350 -0.003 0.000 0.194 1271 E C 1.540 178.308 176.600 0.279 0.000 0.997 1271 E CA 1.484 58.053 56.400 0.283 0.000 0.801 1271 E CB -0.283 29.514 29.700 0.161 0.000 0.746 1271 E HN 0.476 nan 8.360 nan 0.000 0.450 1272 Y N 0.026 120.305 120.300 -0.035 0.000 2.509 1272 Y HA -0.100 4.448 4.550 -0.003 0.000 0.293 1272 Y C 1.989 177.884 175.900 -0.009 0.000 1.133 1272 Y CA 0.223 58.313 58.100 -0.016 0.000 1.283 1272 Y CB -0.172 38.300 38.460 0.020 0.000 1.001 1272 Y HN 0.149 nan 8.280 nan 0.000 0.555 1273 L N -0.586 120.691 121.223 0.090 0.000 1.994 1273 L HA -0.213 4.126 4.340 -0.003 0.000 0.208 1273 L C 2.371 179.300 176.870 0.098 0.000 1.071 1273 L CA 1.460 56.383 54.840 0.139 0.000 0.745 1273 L CB -1.382 40.735 42.059 0.096 0.000 0.892 1273 L HN 0.177 nan 8.230 nan 0.000 0.431 1274 I N -0.738 119.727 120.570 -0.175 0.000 2.353 1274 I HA -0.220 3.948 4.170 -0.003 0.000 0.248 1274 I C 2.349 178.394 176.117 -0.120 0.000 1.119 1274 I CA 1.378 62.461 61.300 -0.362 0.000 1.417 1274 I CB -0.323 36.964 38.000 -1.188 0.000 1.078 1274 I HN 0.182 nan 8.210 nan 0.000 0.421 1275 K N -0.548 119.791 120.400 -0.101 0.000 2.147 1275 K HA -0.129 4.189 4.320 -0.003 0.000 0.205 1275 K C 1.953 178.496 176.600 -0.096 0.000 1.049 1275 K CA 1.235 57.477 56.287 -0.074 0.000 0.936 1275 K CB -0.198 32.234 32.500 -0.113 0.000 0.722 1275 K HN 0.267 nan 8.250 nan 0.000 0.446 1276 M N -0.427 119.083 119.600 -0.150 0.000 2.296 1276 M HA -0.139 4.339 4.480 -0.003 0.000 0.265 1276 M C 1.960 178.222 176.300 -0.063 0.000 1.064 1276 M CA 1.366 56.461 55.300 -0.342 0.000 1.109 1276 M CB -0.693 31.476 32.600 -0.717 0.000 1.396 1276 M HN 0.135 nan 8.290 nan 0.000 0.430 1277 Y N 0.737 121.022 120.300 -0.026 0.000 2.200 1277 Y HA -0.130 4.418 4.550 -0.003 0.000 0.290 1277 Y C 2.192 178.124 175.900 0.053 0.000 1.137 1277 Y CA 1.265 59.409 58.100 0.072 0.000 1.163 1277 Y CB -0.386 38.105 38.460 0.051 0.000 0.988 1277 Y HN -0.060 nan 8.280 nan 0.000 0.518 1278 V N -0.286 119.618 119.914 -0.017 0.000 2.515 1278 V HA -0.281 3.837 4.120 -0.003 0.000 0.250 1278 V C 2.013 178.067 176.094 -0.067 0.000 1.058 1278 V CA 1.984 64.234 62.300 -0.083 0.000 1.064 1278 V CB -1.099 30.738 31.823 0.023 0.000 0.675 1278 V HN 0.545 nan 8.190 nan 0.000 0.461 1279 Y N 1.005 121.236 120.300 -0.115 0.000 2.145 1279 Y HA -0.102 4.446 4.550 -0.003 0.000 0.286 1279 Y C 1.123 176.997 175.900 -0.044 0.000 1.145 1279 Y CA 1.860 59.901 58.100 -0.098 0.000 1.148 1279 Y CB 0.370 38.736 38.460 -0.156 0.000 0.981 1279 Y HN 0.326 nan 8.280 nan 0.000 0.507 1280 D N -1.051 119.331 120.400 -0.031 0.000 2.318 1280 D HA 0.155 4.793 4.640 -0.003 0.000 0.233 1280 D C -2.395 173.888 176.300 -0.028 0.000 1.348 1280 D CA -1.597 52.354 54.000 -0.080 0.000 0.983 1280 D CB 1.398 42.211 40.800 0.022 0.000 1.416 1280 D HN 0.003 nan 8.370 nan 0.000 0.558 1281 P HA -0.120 nan 4.420 nan 0.000 0.222 1281 P C 1.294 178.581 177.300 -0.022 0.000 1.147 1281 P CA 0.543 63.435 63.100 -0.347 0.000 0.790 1281 P CB 0.800 32.071 31.700 -0.715 0.000 0.780 1282 K N 0.668 121.026 120.400 -0.070 0.000 1.973 1282 K HA -0.100 4.218 4.320 -0.003 0.000 0.210 1282 K C 2.428 178.972 176.600 -0.093 0.000 1.045 1282 K CA 1.057 57.312 56.287 -0.053 0.000 0.937 1282 K CB -0.223 32.226 32.500 -0.085 0.000 0.721 1282 K HN -0.123 nan 8.250 nan 0.000 0.438 1283 R N -0.751 119.606 120.500 -0.239 0.000 2.120 1283 R HA -0.083 4.255 4.340 -0.003 0.000 0.234 1283 R C 0.829 176.720 176.300 -0.682 0.000 1.123 1283 R CA 1.317 57.092 56.100 -0.543 0.000 0.975 1283 R CB 0.007 29.755 30.300 -0.920 0.000 0.866 1283 R HN 0.184 nan 8.270 nan 0.000 0.446 1284 F N -0.453 119.515 119.950 0.030 0.000 2.908 1284 F HA 0.196 4.721 4.527 -0.003 0.000 0.328 1284 F C 1.448 177.419 175.800 0.285 0.000 1.211 1284 F CA -0.471 57.549 58.000 0.033 0.000 1.291 1284 F CB 0.335 39.149 39.000 -0.310 0.000 0.962 1284 F HN 0.004 nan 8.300 nan 0.000 0.505 1285 E N 0.302 120.717 120.200 0.358 0.000 2.110 1285 E HA -0.184 4.164 4.350 -0.003 0.000 0.193 1285 E C 1.856 178.607 176.600 0.252 0.000 0.988 1285 E CA 1.731 58.329 56.400 0.330 0.000 0.804 1285 E CB 0.127 29.963 29.700 0.226 0.000 0.745 1285 E HN 0.298 nan 8.360 nan 0.000 0.458 1286 T N -0.174 114.559 114.554 0.298 0.000 2.720 1286 T HA -0.166 4.183 4.350 -0.003 0.000 0.268 1286 T C 1.184 176.076 174.700 0.320 0.000 1.037 1286 T CA 1.410 63.672 62.100 0.270 0.000 1.144 1286 T CB -0.328 68.694 68.868 0.257 0.000 0.864 1286 T HN 0.299 nan 8.240 nan 0.000 0.444 1287 Y N 1.627 122.056 120.300 0.216 0.000 2.181 1287 Y HA -0.027 4.522 4.550 -0.003 0.000 0.288 1287 Y C 2.500 178.491 175.900 0.153 0.000 1.146 1287 Y CA 0.707 58.927 58.100 0.200 0.000 1.164 1287 Y CB -0.391 38.208 38.460 0.231 0.000 0.982 1287 Y HN 0.047 nan 8.280 nan 0.000 0.515 1288 K N 0.653 121.214 120.400 0.267 0.000 2.057 1288 K HA -0.198 4.120 4.320 -0.003 0.000 0.207 1288 K C 1.296 177.961 176.600 0.109 0.000 1.049 1288 K CA 1.895 58.202 56.287 0.032 0.000 0.931 1288 K CB -0.381 31.785 32.500 -0.556 0.000 0.714 1288 K HN 0.274 nan 8.250 nan 0.000 0.440 1289 D N 0.560 121.017 120.400 0.095 0.000 2.117 1289 D HA -0.143 4.496 4.640 -0.003 0.000 0.197 1289 D C 2.072 178.447 176.300 0.124 0.000 0.987 1289 D CA 0.828 54.888 54.000 0.100 0.000 0.829 1289 D CB -0.042 40.810 40.800 0.085 0.000 0.961 1289 D HN 0.132 nan 8.370 nan 0.000 0.460 1290 R N -0.262 120.321 120.500 0.139 0.000 2.115 1290 R HA -0.122 4.217 4.340 -0.003 0.000 0.230 1290 R C 2.111 178.494 176.300 0.138 0.000 1.111 1290 R CA 0.443 56.619 56.100 0.127 0.000 0.976 1290 R CB -1.034 29.335 30.300 0.115 0.000 0.870 1290 R HN 0.379 nan 8.270 nan 0.000 0.445 1291 W N 0.988 122.287 121.300 -0.002 0.000 2.381 1291 W HA -0.138 4.520 4.660 -0.003 0.000 0.301 1291 W C 1.873 178.350 176.519 -0.071 0.000 1.205 1291 W CA 0.945 58.262 57.345 -0.046 0.000 1.285 1291 W CB -0.194 29.221 29.460 -0.075 0.000 1.133 1291 W HN -0.219 nan 8.180 nan 0.000 0.521 1292 V N 1.243 121.208 119.914 0.084 0.000 2.343 1292 V HA -0.339 3.779 4.120 -0.003 0.000 0.247 1292 V C 2.352 178.369 176.094 -0.129 0.000 1.051 1292 V CA 2.100 64.382 62.300 -0.030 0.000 1.036 1292 V CB -1.022 30.927 31.823 0.210 0.000 0.654 1292 V HN 0.220 nan 8.190 nan 0.000 0.451 1293 L N -0.029 121.170 121.223 -0.039 0.000 2.042 1293 L HA -0.182 4.156 4.340 -0.003 0.000 0.210 1293 L C 2.724 179.546 176.870 -0.080 0.000 1.076 1293 L CA 1.667 56.497 54.840 -0.017 0.000 0.749 1293 L CB -0.838 41.244 42.059 0.039 0.000 0.893 1293 L HN 0.363 nan 8.230 nan 0.000 0.432 1294 A N -0.009 122.724 122.820 -0.146 0.000 1.902 1294 A HA -0.172 4.147 4.320 -0.003 0.000 0.217 1294 A C 2.544 179.947 177.584 -0.303 0.000 1.181 1294 A CA 1.773 53.719 52.037 -0.153 0.000 0.623 1294 A CB -0.744 18.171 19.000 -0.143 0.000 0.818 1294 A HN 0.403 nan 8.150 nan 0.000 0.443 1295 A N -0.053 122.323 122.820 -0.740 0.000 1.877 1295 A HA -0.189 4.129 4.320 -0.003 0.000 0.216 1295 A C 1.926 179.320 177.584 -0.317 0.000 1.186 1295 A CA 1.705 53.200 52.037 -0.903 0.000 0.620 1295 A CB -0.590 17.163 19.000 -2.080 0.000 0.822 1295 A HN 0.648 nan 8.150 nan 0.000 0.443 1296 E N -0.149 119.945 120.200 -0.177 0.000 2.051 1296 E HA -0.122 4.226 4.350 -0.003 0.000 0.192 1296 E C 2.318 178.845 176.600 -0.122 0.000 0.991 1296 E CA 1.365 57.742 56.400 -0.038 0.000 0.799 1296 E CB -0.232 29.488 29.700 0.032 0.000 0.748 1296 E HN 0.549 nan 8.360 nan 0.000 0.449 1297 S N 0.451 116.103 115.700 -0.079 0.000 2.382 1297 S HA -0.141 4.327 4.470 -0.003 0.000 0.228 1297 S C 2.135 176.655 174.600 -0.134 0.000 1.027 1297 S CA 1.466 59.639 58.200 -0.045 0.000 0.991 1297 S CB -0.330 62.926 63.200 0.093 0.000 0.823 1297 S HN 0.293 nan 8.310 nan 0.000 0.469 1298 T N 2.459 116.936 114.554 -0.130 0.000 2.746 1298 T HA 0.036 4.384 4.350 -0.003 0.000 0.267 1298 T C 1.724 176.210 174.700 -0.356 0.000 1.039 1298 T CA 1.045 63.033 62.100 -0.188 0.000 1.142 1298 T CB -0.368 68.380 68.868 -0.200 0.000 0.866 1298 T HN 0.323 nan 8.240 nan 0.000 0.444 1299 I N 0.618 120.876 120.570 -0.521 0.000 2.286 1299 I HA -0.136 4.032 4.170 -0.003 0.000 0.248 1299 I C 2.528 178.310 176.117 -0.559 0.000 1.115 1299 I CA 1.047 61.816 61.300 -0.885 0.000 1.392 1299 I CB -0.177 37.288 38.000 -0.891 0.000 1.065 1299 I HN 0.086 nan 8.210 nan 0.000 0.418 1300 K N -0.033 120.077 120.400 -0.483 0.000 2.116 1300 K HA -0.092 4.226 4.320 -0.003 0.000 0.203 1300 K C 1.939 178.086 176.600 -0.755 0.000 1.052 1300 K CA 1.641 57.569 56.287 -0.597 0.000 0.952 1300 K CB -0.033 32.059 32.500 -0.679 0.000 0.729 1300 K HN 0.376 nan 8.250 nan 0.000 0.446 1301 H N -1.325 117.502 119.070 -0.406 0.000 2.594 1301 H HA 0.223 4.778 4.556 -0.003 0.000 0.274 1301 H C 1.625 176.816 175.328 -0.228 0.000 0.982 1301 H CA 0.640 56.429 56.048 -0.432 0.000 1.228 1301 H CB 0.455 29.646 29.762 -0.950 0.000 1.447 1301 H HN 0.044 nan 8.280 nan 0.000 0.485 1302 L N 1.102 122.293 121.223 -0.055 0.000 2.375 1302 L HA 0.070 4.408 4.340 -0.003 0.000 0.215 1302 L C 1.259 178.123 176.870 -0.009 0.000 1.108 1302 L CA 0.156 55.025 54.840 0.049 0.000 0.830 1302 L CB 0.008 42.090 42.059 0.038 0.000 0.959 1302 L HN -0.005 nan 8.230 nan 0.000 0.457 1303 K N 1.324 121.667 120.400 -0.095 0.000 2.524 1303 K HA 0.029 4.348 4.320 -0.003 0.000 0.279 1303 K C -0.289 176.211 176.600 -0.167 0.000 0.993 1303 K CA 0.350 56.583 56.287 -0.090 0.000 1.030 1303 K CB 0.613 33.056 32.500 -0.095 0.000 0.891 1303 K HN -0.034 nan 8.250 nan 0.000 0.488 1304 S N 2.924 118.495 115.700 -0.215 0.000 2.546 1304 S HA 0.289 4.758 4.470 -0.003 0.000 0.272 1304 S C -1.841 172.551 174.600 -0.347 0.000 1.140 1304 S CA -0.906 57.218 58.200 -0.128 0.000 0.920 1304 S CB 0.687 64.094 63.200 0.346 0.000 1.083 1304 S HN 0.676 nan 8.310 nan 0.000 0.476 1305 H N 2.896 121.952 119.070 -0.023 0.000 2.511 1305 H HA 0.387 4.941 4.556 -0.003 0.000 0.328 1305 H C -2.631 172.701 175.328 0.006 0.000 1.044 1305 H CA -1.743 54.236 56.048 -0.115 0.000 1.212 1305 H CB 1.174 30.888 29.762 -0.080 0.000 1.428 1305 H HN 0.365 nan 8.280 nan 0.000 0.483 1306 P HA -0.021 nan 4.420 nan 0.000 0.265 1306 P C 1.167 178.620 177.300 0.256 0.000 1.193 1306 P CA -0.067 63.199 63.100 0.276 0.000 0.765 1306 P CB 1.401 33.235 31.700 0.223 0.000 0.823 1307 K N 2.439 123.054 120.400 0.357 0.000 2.063 1307 K HA -0.177 4.142 4.320 -0.003 0.000 0.208 1307 K C 1.711 178.401 176.600 0.151 0.000 1.048 1307 K CA 2.159 58.598 56.287 0.254 0.000 0.928 1307 K CB -0.307 32.374 32.500 0.302 0.000 0.713 1307 K HN 0.521 nan 8.250 nan 0.000 0.442 1308 S N -0.342 115.421 115.700 0.105 0.000 2.453 1308 S HA 0.017 4.486 4.470 -0.003 0.000 0.231 1308 S C 0.737 175.270 174.600 -0.113 0.000 1.005 1308 S CA 0.158 58.304 58.200 -0.090 0.000 0.949 1308 S CB 0.132 63.061 63.200 -0.452 0.000 0.774 1308 S HN 0.155 nan 8.310 nan 0.000 0.510 1309 R N 1.231 121.681 120.500 -0.082 0.000 2.629 1309 R HA 0.329 4.668 4.340 -0.003 0.000 0.275 1309 R C -2.796 173.456 176.300 -0.082 0.000 1.719 1309 R CA -1.726 54.316 56.100 -0.096 0.000 1.472 1309 R CB 0.964 31.193 30.300 -0.119 0.000 1.237 1309 R HN 0.221 nan 8.270 nan 0.000 0.589 1310 P HA -0.114 nan 4.420 nan 0.000 0.225 1310 P C 0.549 177.698 177.300 -0.251 0.000 1.148 1310 P CA 0.996 64.012 63.100 -0.140 0.000 0.779 1310 P CB 0.297 31.917 31.700 -0.132 0.000 0.780 1311 D N -1.516 118.773 120.400 -0.186 0.000 2.340 1311 D HA -0.015 4.623 4.640 -0.003 0.000 0.220 1311 D C 0.456 176.648 176.300 -0.181 0.000 1.039 1311 D CA 0.259 54.147 54.000 -0.187 0.000 0.866 1311 D CB -0.406 40.312 40.800 -0.138 0.000 0.913 1311 D HN 0.189 nan 8.370 nan 0.000 0.523 1312 L N 0.033 121.136 121.223 -0.199 0.000 2.344 1312 L HA 0.472 4.811 4.340 -0.003 0.000 0.272 1312 L C -0.153 176.507 176.870 -0.350 0.000 1.035 1312 L CA -0.466 54.170 54.840 -0.341 0.000 0.807 1312 L CB 2.037 43.827 42.059 -0.448 0.000 1.237 1312 L HN -0.218 nan 8.230 nan 0.000 0.442 1313 T N 1.859 116.044 114.554 -0.615 0.000 2.881 1313 T HA 0.658 5.006 4.350 -0.003 0.000 0.290 1313 T C -0.870 173.289 174.700 -0.902 0.000 1.000 1313 T CA -0.354 61.374 62.100 -0.621 0.000 0.978 1313 T CB 1.113 69.719 68.868 -0.437 0.000 0.997 1313 T HN 0.197 nan 8.240 nan 0.000 0.443 1314 F N 0.949 120.633 119.950 -0.443 0.000 2.650 1314 F HA 0.646 5.172 4.527 -0.002 0.000 0.320 1314 F C -0.532 175.137 175.800 -0.219 0.000 1.091 1314 F CA -1.467 56.301 58.000 -0.387 0.000 0.962 1314 F CB 1.508 40.064 39.000 -0.740 0.000 1.363 1314 F HN 0.156 nan 8.300 nan 0.000 0.482 1315 L N 1.431 122.754 121.223 0.166 0.000 2.322 1315 L HA 0.547 4.886 4.340 -0.003 0.000 0.279 1315 L C -0.146 176.946 176.870 0.369 0.000 1.036 1315 L CA -0.570 54.353 54.840 0.139 0.000 0.807 1315 L CB 1.881 43.915 42.059 -0.041 0.000 1.226 1315 L HN 0.740 nan 8.230 nan 0.000 0.433 1316 S N 0.961 116.876 115.700 0.359 0.000 2.745 1316 S HA 0.646 5.115 4.470 -0.003 0.000 0.292 1316 S C -0.222 174.556 174.600 0.297 0.000 1.133 1316 S CA -0.769 57.647 58.200 0.359 0.000 0.998 1316 S CB 1.900 65.335 63.200 0.391 0.000 1.087 1316 S HN 0.497 nan 8.310 nan 0.000 0.551 1317 S N -0.188 115.665 115.700 0.254 0.000 2.718 1317 S HA 0.674 5.143 4.470 -0.003 0.000 0.300 1317 S C -1.577 173.204 174.600 0.303 0.000 1.117 1317 S CA -0.558 57.797 58.200 0.258 0.000 1.002 1317 S CB 0.881 64.177 63.200 0.159 0.000 1.092 1317 S HN 0.719 nan 8.310 nan 0.000 0.542 1318 Y N 0.659 121.011 120.300 0.087 0.000 2.433 1318 Y HA 0.574 5.122 4.550 -0.003 0.000 0.337 1318 Y C -0.832 175.026 175.900 -0.071 0.000 1.026 1318 Y CA -0.333 57.724 58.100 -0.073 0.000 1.037 1318 Y CB 1.698 40.132 38.460 -0.045 0.000 1.245 1318 Y HN 0.560 nan 8.280 nan 0.000 0.443 1319 S N 6.070 121.408 115.700 -0.603 0.000 2.750 1319 S HA 0.351 4.820 4.470 -0.003 0.000 0.276 1319 S C -1.449 172.748 174.600 -0.671 0.000 1.165 1319 S CA -0.703 57.209 58.200 -0.480 0.000 1.047 1319 S CB 0.064 63.130 63.200 -0.223 0.000 1.056 1319 S HN 0.866 nan 8.310 nan 0.000 0.481 1320 N N 3.823 122.145 118.700 -0.629 0.000 2.669 1320 N HA -0.184 4.554 4.740 -0.003 0.000 0.266 1320 N C 0.324 175.527 175.510 -0.511 0.000 1.024 1320 N CA 1.276 54.058 53.050 -0.448 0.000 0.766 1320 N CB -0.877 37.464 38.487 -0.243 0.000 0.898 1320 N HN 0.948 nan 8.380 nan 0.000 0.548 1321 R N -3.836 116.159 120.500 -0.843 0.000 3.840 1321 R HA -0.258 4.081 4.340 -0.003 0.000 0.464 1321 R C -0.005 176.068 176.300 -0.377 0.000 0.986 1321 R CA 1.604 57.465 56.100 -0.400 0.000 1.305 1321 R CB -1.382 28.867 30.300 -0.084 0.000 1.950 1321 R HN 0.560 nan 8.270 nan 0.000 0.526 1322 N N 0.283 118.641 118.700 -0.569 0.000 2.399 1322 N HA 0.315 5.054 4.740 -0.003 0.000 0.295 1322 N C -1.286 174.029 175.510 -0.324 0.000 1.048 1322 N CA -0.442 52.437 53.050 -0.285 0.000 0.886 1322 N CB 0.681 39.061 38.487 -0.178 0.000 1.185 1322 N HN 0.088 nan 8.380 nan 0.000 0.487 1323 Y N 0.952 121.296 120.300 0.072 0.000 2.328 1323 Y HA 0.216 4.764 4.550 -0.003 0.000 0.337 1323 Y C -0.046 175.869 175.900 0.025 0.000 1.008 1323 Y CA -0.738 57.437 58.100 0.124 0.000 1.129 1323 Y CB 1.138 39.705 38.460 0.179 0.000 1.185 1323 Y HN 0.482 nan 8.280 nan 0.000 0.476 1324 D N 3.994 124.469 120.400 0.124 0.000 2.347 1324 D HA 0.149 4.787 4.640 -0.003 0.000 0.235 1324 D C -0.698 175.517 176.300 -0.142 0.000 1.149 1324 D CA -0.362 53.627 54.000 -0.019 0.000 0.850 1324 D CB 0.923 41.703 40.800 -0.033 0.000 1.061 1324 D HN 0.325 nan 8.370 nan 0.000 0.487 1325 L N 4.116 125.135 121.223 -0.340 0.000 2.583 1325 L HA 0.222 4.561 4.340 -0.003 0.000 0.239 1325 L C 0.283 176.222 176.870 -1.550 0.000 1.347 1325 L CA -0.127 54.139 54.840 -0.957 0.000 1.246 1325 L CB -1.974 39.543 42.059 -0.904 0.000 1.496 1325 L HN 0.395 nan 8.230 nan 0.000 0.413 1326 S N -1.448 113.592 115.700 -1.099 0.000 2.596 1326 S HA 0.820 5.288 4.470 -0.003 0.000 0.270 1326 S C -0.516 173.810 174.600 -0.456 0.000 1.155 1326 S CA -0.635 57.075 58.200 -0.816 0.000 0.827 1326 S CB 3.024 65.968 63.200 -0.427 0.000 1.130 1326 S HN 0.164 nan 8.310 nan 0.000 0.467 1327 S N -0.235 115.090 115.700 -0.625 0.000 2.776 1327 S HA 0.705 5.174 4.470 -0.003 0.000 0.292 1327 S C -1.886 172.137 174.600 -0.961 0.000 1.187 1327 S CA -0.662 57.136 58.200 -0.670 0.000 0.834 1327 S CB 1.727 64.563 63.200 -0.606 0.000 1.199 1327 S HN 0.851 nan 8.310 nan 0.000 0.514 1328 Q N 0.159 119.578 119.800 -0.635 0.000 2.484 1328 Q HA 0.411 4.750 4.340 -0.003 0.000 0.285 1328 Q C 0.113 176.125 176.000 0.020 0.000 1.097 1328 Q CA -0.945 54.681 55.803 -0.296 0.000 0.802 1328 Q CB 0.981 29.703 28.738 -0.028 0.000 1.444 1328 Q HN 0.800 nan 8.270 nan 0.000 0.429 1329 H N 1.293 120.513 119.070 0.251 0.000 2.387 1329 H HA -0.053 4.501 4.556 -0.003 0.000 0.299 1329 H C 1.495 176.989 175.328 0.276 0.000 1.090 1329 H CA 1.754 58.041 56.048 0.398 0.000 1.332 1329 H CB 0.280 30.259 29.762 0.362 0.000 1.386 1329 H HN 0.641 nan 8.280 nan 0.000 0.516 1330 L N 0.270 121.726 121.223 0.389 0.000 2.051 1330 L HA -0.219 4.119 4.340 -0.003 0.000 0.214 1330 L C 2.533 179.638 176.870 0.391 0.000 1.076 1330 L CA 1.988 57.019 54.840 0.320 0.000 0.758 1330 L CB -0.583 41.603 42.059 0.213 0.000 0.890 1330 L HN 0.316 nan 8.230 nan 0.000 0.433 1331 T N -1.865 112.892 114.554 0.339 0.000 2.929 1331 T HA -0.178 4.171 4.350 -0.003 0.000 0.271 1331 T C 1.700 176.591 174.700 0.318 0.000 1.085 1331 T CA 1.079 63.427 62.100 0.413 0.000 1.125 1331 T CB -0.528 68.483 68.868 0.239 0.000 0.874 1331 T HN 0.419 nan 8.240 nan 0.000 0.494 1332 c N 2.297 121.034 118.600 0.228 0.000 2.485 1332 c HA 0.044 4.613 4.570 -0.003 0.000 0.283 1332 c C 2.203 176.330 174.090 0.062 0.000 1.478 1332 c CA -0.470 55.908 56.329 0.083 0.000 1.741 1332 c CB -2.449 40.041 42.510 -0.033 0.000 1.675 1332 c HN 0.786 nan 8.230 nan 0.000 0.573 1333 F N 2.952 122.981 119.950 0.131 0.000 2.502 1333 F HA -0.051 4.474 4.527 -0.003 0.000 0.298 1333 F C 1.789 177.714 175.800 0.209 0.000 1.111 1333 F CA 1.224 59.310 58.000 0.143 0.000 1.445 1333 F CB -0.810 38.300 39.000 0.183 0.000 1.081 1333 F HN 0.258 nan 8.300 nan 0.000 0.558 1334 D N 1.091 120.970 120.400 -0.869 0.000 2.116 1334 D HA -0.190 4.448 4.640 -0.003 0.000 0.193 1334 D C 2.327 178.557 176.300 -0.117 0.000 0.998 1334 D CA 1.658 55.282 54.000 -0.627 0.000 0.836 1334 D CB -1.449 39.133 40.800 -0.363 0.000 0.951 1334 D HN 0.348 nan 8.370 nan 0.000 0.449 1335 G N 0.277 109.003 108.800 -0.124 0.000 2.440 1335 G HA2 -0.186 3.772 3.960 -0.003 0.000 0.218 1335 G HA3 -0.186 3.772 3.960 -0.003 0.000 0.218 1335 G C 1.790 176.696 174.900 0.010 0.000 1.154 1335 G CA 1.214 46.277 45.100 -0.062 0.000 0.767 1335 G HN 0.534 nan 8.290 nan 0.000 0.552 1336 G N 0.216 108.993 108.800 -0.037 0.000 2.422 1336 G HA2 -0.196 3.762 3.960 -0.003 0.000 0.218 1336 G HA3 -0.196 3.762 3.960 -0.003 0.000 0.218 1336 G C 2.085 176.796 174.900 -0.315 0.000 1.146 1336 G CA 1.594 46.576 45.100 -0.196 0.000 0.769 1336 G HN 0.505 nan 8.290 nan 0.000 0.547 1337 S N -0.185 115.483 115.700 -0.054 0.000 2.348 1337 S HA -0.056 4.413 4.470 -0.003 0.000 0.221 1337 S C 2.106 176.787 174.600 0.135 0.000 1.033 1337 S CA 1.118 59.352 58.200 0.057 0.000 1.010 1337 S CB -0.425 62.983 63.200 0.346 0.000 0.891 1337 S HN 0.291 nan 8.310 nan 0.000 0.442 1338 F N 1.465 121.539 119.950 0.208 0.000 2.202 1338 F HA -0.010 4.516 4.527 -0.003 0.000 0.301 1338 F C 2.038 177.951 175.800 0.188 0.000 1.082 1338 F CA 1.048 59.216 58.000 0.280 0.000 1.313 1338 F CB -0.260 38.847 39.000 0.178 0.000 1.024 1338 F HN 0.207 nan 8.300 nan 0.000 0.495 1339 L N -1.175 120.180 121.223 0.219 0.000 2.072 1339 L HA -0.190 4.149 4.340 -0.003 0.000 0.205 1339 L C 2.339 179.245 176.870 0.059 0.000 1.079 1339 L CA 0.543 55.454 54.840 0.117 0.000 0.752 1339 L CB -0.591 41.491 42.059 0.038 0.000 0.906 1339 L HN 0.148 nan 8.230 nan 0.000 0.436 1340 L N 0.034 121.211 121.223 -0.077 0.000 2.027 1340 L HA -0.058 4.280 4.340 -0.003 0.000 0.206 1340 L C 2.347 179.162 176.870 -0.092 0.000 1.074 1340 L CA 2.210 56.997 54.840 -0.087 0.000 0.745 1340 L CB -1.158 40.769 42.059 -0.221 0.000 0.898 1340 L HN 0.135 nan 8.230 nan 0.000 0.433 1341 G N -1.199 107.449 108.800 -0.254 0.000 2.418 1341 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.217 1341 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.217 1341 G C 1.504 176.489 174.900 0.141 0.000 1.158 1341 G CA 0.593 45.460 45.100 -0.388 0.000 0.771 1341 G HN 0.611 nan 8.290 nan 0.000 0.545 1342 G N -0.225 108.770 108.800 0.324 0.000 2.421 1342 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.216 1342 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.216 1342 G C 1.818 176.847 174.900 0.214 0.000 1.171 1342 G CA 1.825 47.164 45.100 0.397 0.000 0.775 1342 G HN 0.440 nan 8.290 nan 0.000 0.543 1343 T N -0.145 114.496 114.554 0.146 0.000 2.857 1343 T HA -0.046 4.303 4.350 -0.003 0.000 0.266 1343 T C 2.499 177.260 174.700 0.101 0.000 1.048 1343 T CA 1.388 63.550 62.100 0.103 0.000 1.139 1343 T CB -0.178 68.737 68.868 0.078 0.000 0.874 1343 T HN 0.006 nan 8.240 nan 0.000 0.455 1344 V N 1.217 121.194 119.914 0.105 0.000 2.427 1344 V HA 0.039 4.157 4.120 -0.003 0.000 0.248 1344 V C 2.220 178.408 176.094 0.156 0.000 1.051 1344 V CA 1.364 63.736 62.300 0.121 0.000 1.048 1344 V CB -0.397 31.504 31.823 0.130 0.000 0.666 1344 V HN 0.487 nan 8.190 nan 0.000 0.456 1345 L N -0.260 121.064 121.223 0.167 0.000 2.628 1345 L HA 0.258 4.597 4.340 -0.003 0.000 0.229 1345 L C 0.755 177.699 176.870 0.124 0.000 1.137 1345 L CA 0.166 55.107 54.840 0.168 0.000 0.909 1345 L CB -0.361 41.829 42.059 0.219 0.000 1.137 1345 L HN 0.353 nan 8.230 nan 0.000 0.470 1346 D N 1.969 122.434 120.400 0.108 0.000 2.697 1346 D HA -0.209 4.429 4.640 -0.003 0.000 0.235 1346 D C -0.096 176.229 176.300 0.042 0.000 1.167 1346 D CA 0.528 54.569 54.000 0.069 0.000 0.656 1346 D CB -0.131 40.699 40.800 0.050 0.000 1.025 1346 D HN 0.069 nan 8.370 nan 0.000 0.419 1347 R N 1.269 121.804 120.500 0.058 0.000 2.287 1347 R HA 0.179 4.518 4.340 -0.003 0.000 0.316 1347 R C 1.051 177.340 176.300 -0.019 0.000 1.050 1347 R CA -0.531 55.533 56.100 -0.059 0.000 0.983 1347 R CB 1.365 31.555 30.300 -0.184 0.000 1.140 1347 R HN 0.276 nan 8.270 nan 0.000 0.528 1348 Q N 1.964 121.746 119.800 -0.030 0.000 2.170 1348 Q HA -0.174 4.164 4.340 -0.003 0.000 0.203 1348 Q C 1.108 177.120 176.000 0.021 0.000 0.976 1348 Q CA 2.205 58.014 55.803 0.010 0.000 0.858 1348 Q CB 0.207 28.943 28.738 -0.005 0.000 0.907 1348 Q HN 0.563 nan 8.270 nan 0.000 0.433 1349 D N -0.936 119.428 120.400 -0.059 0.000 2.178 1349 D HA -0.187 4.452 4.640 -0.003 0.000 0.201 1349 D C 1.234 177.638 176.300 0.173 0.000 0.980 1349 D CA 0.925 54.908 54.000 -0.028 0.000 0.842 1349 D CB -0.566 40.144 40.800 -0.150 0.000 0.948 1349 D HN 0.284 nan 8.370 nan 0.000 0.472 1350 F N 0.842 120.907 119.950 0.191 0.000 2.234 1350 F HA 0.197 4.723 4.527 -0.003 0.000 0.296 1350 F C 2.505 178.496 175.800 0.319 0.000 1.089 1350 F CA -0.454 57.767 58.000 0.369 0.000 1.343 1350 F CB -0.711 38.549 39.000 0.433 0.000 1.040 1350 F HN -0.060 nan 8.300 nan 0.000 0.498 1351 I N -0.048 120.744 120.570 0.370 0.000 2.226 1351 I HA -0.292 3.876 4.170 -0.003 0.000 0.245 1351 I C 2.013 178.216 176.117 0.143 0.000 1.100 1351 I CA 1.388 62.819 61.300 0.218 0.000 1.374 1351 I CB -0.412 37.667 38.000 0.132 0.000 1.057 1351 I HN 0.000 nan 8.210 nan 0.000 0.413 1352 D N 0.551 121.031 120.400 0.132 0.000 2.117 1352 D HA -0.214 4.424 4.640 -0.003 0.000 0.197 1352 D C 1.920 178.261 176.300 0.068 0.000 0.987 1352 D CA 1.333 55.382 54.000 0.081 0.000 0.829 1352 D CB -0.357 40.486 40.800 0.071 0.000 0.961 1352 D HN 0.227 nan 8.370 nan 0.000 0.460 1353 F N 1.370 121.280 119.950 -0.067 0.000 2.186 1353 F HA 0.033 4.558 4.527 -0.003 0.000 0.299 1353 F C 2.264 177.869 175.800 -0.326 0.000 1.090 1353 F CA 1.492 59.343 58.000 -0.249 0.000 1.307 1353 F CB -0.456 38.304 39.000 -0.399 0.000 1.019 1353 F HN -0.038 nan 8.300 nan 0.000 0.489 1354 G N 0.506 109.216 108.800 -0.150 0.000 2.422 1354 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.218 1354 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.218 1354 G C 1.778 176.562 174.900 -0.193 0.000 1.146 1354 G CA 1.051 46.059 45.100 -0.154 0.000 0.769 1354 G HN 0.421 nan 8.290 nan 0.000 0.547 1355 L N 0.025 121.168 121.223 -0.134 0.000 2.141 1355 L HA -0.005 4.333 4.340 -0.003 0.000 0.209 1355 L C 2.828 179.626 176.870 -0.120 0.000 1.094 1355 L CA 0.915 55.689 54.840 -0.109 0.000 0.763 1355 L CB -0.320 41.708 42.059 -0.053 0.000 0.908 1355 L HN 0.291 nan 8.230 nan 0.000 0.437 1356 E N 0.182 120.243 120.200 -0.233 0.000 2.106 1356 E HA -0.179 4.169 4.350 -0.003 0.000 0.192 1356 E C 2.319 178.696 176.600 -0.371 0.000 0.984 1356 E CA 0.941 57.170 56.400 -0.284 0.000 0.806 1356 E CB -0.041 29.447 29.700 -0.354 0.000 0.750 1356 E HN 0.497 nan 8.360 nan 0.000 0.458 1357 L N 0.424 121.347 121.223 -0.500 0.000 2.109 1357 L HA -0.123 4.215 4.340 -0.003 0.000 0.207 1357 L C 2.478 179.241 176.870 -0.178 0.000 1.086 1357 L CA 0.482 55.067 54.840 -0.425 0.000 0.760 1357 L CB -0.337 41.407 42.059 -0.525 0.000 0.910 1357 L HN 0.028 nan 8.230 nan 0.000 0.437 1358 V N 0.167 120.029 119.914 -0.086 0.000 2.343 1358 V HA -0.286 3.832 4.120 -0.003 0.000 0.247 1358 V C 2.119 178.336 176.094 0.205 0.000 1.051 1358 V CA 1.932 64.313 62.300 0.135 0.000 1.036 1358 V CB -0.445 31.478 31.823 0.166 0.000 0.654 1358 V HN 0.449 nan 8.190 nan 0.000 0.451 1359 D N 0.414 120.879 120.400 0.108 0.000 2.144 1359 D HA -0.109 4.530 4.640 -0.003 0.000 0.199 1359 D C 2.170 178.404 176.300 -0.109 0.000 0.984 1359 D CA 1.559 55.594 54.000 0.058 0.000 0.834 1359 D CB -0.615 40.207 40.800 0.036 0.000 0.955 1359 D HN 0.483 nan 8.370 nan 0.000 0.465 1360 G N 0.322 109.004 108.800 -0.197 0.000 2.418 1360 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.217 1360 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.217 1360 G C 1.902 176.777 174.900 -0.042 0.000 1.158 1360 G CA 0.954 45.872 45.100 -0.304 0.000 0.771 1360 G HN 0.323 nan 8.290 nan 0.000 0.545 1361 c N 0.231 118.834 118.600 0.005 0.000 2.440 1361 c HA 0.055 4.624 4.570 -0.003 0.000 0.278 1361 c C 2.710 176.767 174.090 -0.055 0.000 1.295 1361 c CA 1.056 57.369 56.329 -0.027 0.000 1.738 1361 c CB -0.426 42.059 42.510 -0.042 0.000 1.987 1361 c HN 0.641 nan 8.230 nan 0.000 0.492 1362 E N 1.852 122.043 120.200 -0.014 0.000 2.153 1362 E HA -0.107 4.242 4.350 -0.003 0.000 0.194 1362 E C 1.989 178.448 176.600 -0.236 0.000 0.988 1362 E CA 1.667 57.951 56.400 -0.194 0.000 0.811 1362 E CB -0.307 28.868 29.700 -0.874 0.000 0.746 1362 E HN 0.526 nan 8.360 nan 0.000 0.466 1363 A N -0.022 122.683 122.820 -0.193 0.000 1.930 1363 A HA -0.149 4.170 4.320 -0.003 0.000 0.217 1363 A C 2.447 179.999 177.584 -0.055 0.000 1.175 1363 A CA 2.184 54.148 52.037 -0.122 0.000 0.627 1363 A CB -1.296 17.652 19.000 -0.086 0.000 0.815 1363 A HN 0.504 nan 8.150 nan 0.000 0.443 1364 T N -3.977 110.440 114.554 -0.229 0.000 2.915 1364 T HA -0.141 4.207 4.350 -0.003 0.000 0.269 1364 T C 1.737 176.402 174.700 -0.057 0.000 1.071 1364 T CA 1.442 63.272 62.100 -0.450 0.000 1.132 1364 T CB -0.466 67.704 68.868 -1.164 0.000 0.878 1364 T HN 0.376 nan 8.240 nan 0.000 0.479 1365 Y N 3.606 123.805 120.300 -0.169 0.000 2.176 1365 Y HA 0.092 4.640 4.550 -0.003 0.000 0.291 1365 Y C 2.482 178.344 175.900 -0.064 0.000 1.122 1365 Y CA 1.186 59.231 58.100 -0.092 0.000 1.128 1365 Y CB -0.583 37.839 38.460 -0.064 0.000 1.005 1365 Y HN 0.471 nan 8.280 nan 0.000 0.509 1366 N N -1.197 117.534 118.700 0.051 0.000 2.521 1366 N HA -0.060 4.679 4.740 -0.003 0.000 0.188 1366 N C 0.812 176.327 175.510 0.009 0.000 1.146 1366 N CA 1.059 54.101 53.050 -0.012 0.000 0.893 1366 N CB -0.441 37.976 38.487 -0.116 0.000 0.975 1366 N HN -0.016 nan 8.380 nan 0.000 0.451 1367 S N -1.124 114.616 115.700 0.066 0.000 2.535 1367 S HA 0.050 4.519 4.470 -0.003 0.000 0.214 1367 S C 0.656 175.382 174.600 0.209 0.000 0.980 1367 S CA 0.199 58.451 58.200 0.085 0.000 0.907 1367 S CB -0.116 63.136 63.200 0.087 0.000 0.790 1367 S HN 0.696 nan 8.310 nan 0.000 0.510 1368 T N -0.201 114.457 114.554 0.173 0.000 2.912 1368 T HA 0.483 4.831 4.350 -0.003 0.000 0.280 1368 T C 1.030 175.770 174.700 0.067 0.000 0.989 1368 T CA -0.747 61.440 62.100 0.145 0.000 0.995 1368 T CB 0.845 69.749 68.868 0.060 0.000 1.077 1368 T HN -0.071 nan 8.240 nan 0.000 0.531 1369 L N 1.477 122.725 121.223 0.042 0.000 2.046 1369 L HA 0.012 4.351 4.340 -0.003 0.000 0.208 1369 L C 2.651 179.516 176.870 -0.008 0.000 1.077 1369 L CA 2.814 57.665 54.840 0.018 0.000 0.747 1369 L CB -1.594 40.470 42.059 0.008 0.000 0.896 1369 L HN 1.055 nan 8.230 nan 0.000 0.432 1370 T N -4.420 110.115 114.554 -0.032 0.000 3.055 1370 T HA -0.027 4.322 4.350 -0.003 0.000 0.265 1370 T C 0.969 175.622 174.700 -0.079 0.000 1.111 1370 T CA 0.517 62.581 62.100 -0.060 0.000 1.118 1370 T CB -0.070 68.746 68.868 -0.086 0.000 0.909 1370 T HN 0.325 nan 8.240 nan 0.000 0.501 1371 K N 0.206 120.562 120.400 -0.073 0.000 3.379 1371 K HA -0.080 4.239 4.320 -0.003 0.000 0.300 1371 K C -0.363 176.145 176.600 -0.153 0.000 1.302 1371 K CA 0.403 56.655 56.287 -0.059 0.000 0.877 1371 K CB -2.529 29.961 32.500 -0.017 0.000 1.343 1371 K HN 0.591 nan 8.250 nan 0.000 0.488 1372 I N 0.364 120.725 120.570 -0.348 0.000 2.474 1372 I HA 0.395 4.563 4.170 -0.003 0.000 0.294 1372 I C 1.203 176.826 176.117 -0.823 0.000 1.005 1372 I CA -0.809 59.996 61.300 -0.824 0.000 1.113 1372 I CB 1.996 39.548 38.000 -0.747 0.000 1.289 1372 I HN 0.102 nan 8.210 nan 0.000 0.436 1373 G N 5.225 113.193 108.800 -1.387 0.000 2.537 1373 G HA2 0.499 4.457 3.960 -0.003 0.000 0.273 1373 G HA3 0.499 4.457 3.960 -0.003 0.000 0.273 1373 G C -2.613 172.216 174.900 -0.119 0.000 1.189 1373 G CA -1.028 43.765 45.100 -0.510 0.000 0.881 1373 G HN 0.334 nan 8.290 nan 0.000 0.535 1374 P HA 0.141 nan 4.420 nan 0.000 0.274 1374 P C -0.151 177.378 177.300 0.381 0.000 1.237 1374 P CA -0.199 63.025 63.100 0.207 0.000 0.793 1374 P CB 1.866 33.719 31.700 0.255 0.000 0.977 1375 D N 0.433 121.023 120.400 0.318 0.000 2.144 1375 D HA -0.069 4.569 4.640 -0.003 0.000 0.200 1375 D C 0.314 176.815 176.300 0.336 0.000 0.978 1375 D CA 1.163 55.350 54.000 0.311 0.000 0.833 1375 D CB 0.172 41.076 40.800 0.173 0.000 0.961 1375 D HN 0.461 nan 8.370 nan 0.000 0.470 1376 S N -1.855 114.044 115.700 0.332 0.000 2.556 1376 S HA 0.656 5.124 4.470 -0.003 0.000 0.271 1376 S C -1.280 173.534 174.600 0.357 0.000 1.135 1376 S CA -1.054 57.264 58.200 0.196 0.000 0.858 1376 S CB 1.151 64.387 63.200 0.059 0.000 1.114 1376 S HN 0.359 nan 8.310 nan 0.000 0.468 1377 W N 0.206 121.513 121.300 0.012 0.000 2.959 1377 W HA 0.883 5.541 4.660 -0.003 0.000 0.358 1377 W C -0.606 175.843 176.519 -0.118 0.000 1.228 1377 W CA -0.670 56.671 57.345 -0.008 0.000 1.183 1377 W CB 0.592 30.030 29.460 -0.037 0.000 1.467 1377 W HN 1.088 nan 8.180 nan 0.000 0.578 1378 G N -0.437 108.272 108.800 -0.151 0.000 2.695 1378 G HA2 0.569 4.528 3.960 -0.003 0.000 0.290 1378 G HA3 0.569 4.528 3.960 -0.003 0.000 0.290 1378 G C -1.987 172.624 174.900 -0.481 0.000 1.410 1378 G CA -0.595 44.193 45.100 -0.519 0.000 0.844 1378 G HN 1.288 nan 8.290 nan 0.000 0.478 1379 W N -0.059 121.155 121.300 -0.143 0.000 1.686 1379 W HA 0.415 5.073 4.660 -0.003 0.000 0.263 1379 W C -0.574 176.174 176.519 0.382 0.000 0.860 1379 W CA -0.935 56.580 57.345 0.283 0.000 1.635 1379 W CB 0.371 30.088 29.460 0.429 0.000 0.998 1379 W HN 0.416 nan 8.180 nan 0.000 0.464 1380 D N 3.042 123.571 120.400 0.214 0.000 2.382 1380 D HA 0.068 4.707 4.640 -0.003 0.000 0.259 1380 D C -1.227 175.152 176.300 0.133 0.000 1.224 1380 D CA -1.466 52.604 54.000 0.118 0.000 0.894 1380 D CB 1.739 42.565 40.800 0.042 0.000 1.127 1380 D HN -0.060 nan 8.370 nan 0.000 0.487 1381 P HA -0.107 nan 4.420 nan 0.000 0.221 1381 P C 0.562 177.840 177.300 -0.037 0.000 1.145 1381 P CA 1.231 64.360 63.100 0.048 0.000 0.795 1381 P CB 0.258 32.046 31.700 0.147 0.000 0.775 1382 K N -0.729 119.661 120.400 -0.017 0.000 2.444 1382 K HA 0.089 4.407 4.320 -0.003 0.000 0.193 1382 K C 0.994 177.540 176.600 -0.090 0.000 1.024 1382 K CA 0.587 56.850 56.287 -0.039 0.000 1.077 1382 K CB 0.168 32.663 32.500 -0.008 0.000 0.833 1382 K HN 0.171 nan 8.250 nan 0.000 0.517 1383 K N 0.712 121.024 120.400 -0.146 0.000 2.506 1383 K HA 0.162 4.480 4.320 -0.003 0.000 0.204 1383 K C -0.544 175.735 176.600 -0.534 0.000 1.045 1383 K CA -0.195 55.950 56.287 -0.237 0.000 1.074 1383 K CB 1.447 33.864 32.500 -0.139 0.000 0.842 1383 K HN -0.164 nan 8.250 nan 0.000 0.514 1384 V N 4.119 123.701 119.914 -0.553 0.000 2.450 1384 V HA 0.033 4.152 4.120 -0.003 0.000 0.281 1384 V C -2.107 173.733 176.094 -0.423 0.000 1.019 1384 V CA -1.127 60.749 62.300 -0.706 0.000 1.062 1384 V CB -0.121 31.367 31.823 -0.558 0.000 0.979 1384 V HN 0.107 nan 8.190 nan 0.000 0.477 1385 P HA 0.110 nan 4.420 nan 0.000 0.264 1385 P C 0.948 178.195 177.300 -0.089 0.000 1.193 1385 P CA 0.231 63.219 63.100 -0.188 0.000 0.763 1385 P CB 0.672 32.297 31.700 -0.126 0.000 0.810 1386 S N 2.462 118.124 115.700 -0.063 0.000 2.380 1386 S HA -0.238 4.231 4.470 -0.003 0.000 0.229 1386 S C 1.256 175.856 174.600 0.001 0.000 1.043 1386 S CA 2.117 60.301 58.200 -0.026 0.000 1.038 1386 S CB -0.795 62.391 63.200 -0.022 0.000 0.872 1386 S HN 0.720 nan 8.310 nan 0.000 0.456 1387 D N 0.569 120.968 120.400 -0.002 0.000 2.363 1387 D HA -0.067 4.571 4.640 -0.003 0.000 0.220 1387 D C 1.265 177.583 176.300 0.030 0.000 0.994 1387 D CA 0.532 54.539 54.000 0.011 0.000 0.890 1387 D CB -0.300 40.500 40.800 -0.001 0.000 0.906 1387 D HN 0.393 nan 8.370 nan 0.000 0.530 1388 Q N -0.505 119.326 119.800 0.052 0.000 2.172 1388 Q HA 0.143 4.482 4.340 -0.003 0.000 0.217 1388 Q C 1.295 177.424 176.000 0.215 0.000 0.832 1388 Q CA -0.287 55.591 55.803 0.125 0.000 1.010 1388 Q CB 0.679 29.504 28.738 0.145 0.000 1.133 1388 Q HN 0.241 nan 8.270 nan 0.000 0.489 1389 K N 1.776 122.264 120.400 0.147 0.000 2.009 1389 K HA -0.217 4.102 4.320 -0.003 0.000 0.210 1389 K C 1.324 178.052 176.600 0.213 0.000 1.049 1389 K CA 1.636 58.029 56.287 0.178 0.000 0.929 1389 K CB 0.226 32.788 32.500 0.103 0.000 0.714 1389 K HN 0.200 nan 8.250 nan 0.000 0.440 1390 E N -0.457 119.837 120.200 0.157 0.000 2.110 1390 E HA -0.204 4.144 4.350 -0.003 0.000 0.193 1390 E C 1.896 178.574 176.600 0.130 0.000 0.988 1390 E CA 1.310 57.783 56.400 0.122 0.000 0.804 1390 E CB -0.191 29.567 29.700 0.096 0.000 0.745 1390 E HN 0.312 nan 8.360 nan 0.000 0.458 1391 F N 0.540 120.503 119.950 0.022 0.000 2.084 1391 F HA -0.243 4.282 4.527 -0.002 0.000 0.296 1391 F C 2.337 178.101 175.800 -0.060 0.000 1.111 1391 F CA 1.555 59.531 58.000 -0.040 0.000 1.224 1391 F CB -0.424 38.547 39.000 -0.048 0.000 0.991 1391 F HN 0.023 nan 8.300 nan 0.000 0.471 1392 Y N 1.366 121.760 120.300 0.157 0.000 2.151 1392 Y HA -0.265 4.283 4.550 -0.003 0.000 0.284 1392 Y C 2.265 178.174 175.900 0.014 0.000 1.166 1392 Y CA 2.313 60.479 58.100 0.110 0.000 1.163 1392 Y CB -0.853 37.768 38.460 0.269 0.000 0.974 1392 Y HN 0.241 nan 8.280 nan 0.000 0.511 1393 E N 0.121 120.232 120.200 -0.147 0.000 2.153 1393 E HA -0.231 4.118 4.350 -0.003 0.000 0.194 1393 E C 2.002 178.445 176.600 -0.261 0.000 0.988 1393 E CA 1.752 58.017 56.400 -0.224 0.000 0.811 1393 E CB -0.099 29.602 29.700 0.001 0.000 0.746 1393 E HN 0.737 nan 8.360 nan 0.000 0.466 1394 K N -0.535 119.706 120.400 -0.265 0.000 2.244 1394 K HA 0.222 4.540 4.320 -0.003 0.000 0.200 1394 K C 2.007 178.396 176.600 -0.352 0.000 1.052 1394 K CA 0.761 56.889 56.287 -0.264 0.000 0.980 1394 K CB 0.194 32.562 32.500 -0.219 0.000 0.838 1394 K HN -0.012 nan 8.250 nan 0.000 0.481 1395 A N 1.024 123.511 122.820 -0.555 0.000 1.984 1395 A HA 0.330 4.649 4.320 -0.003 0.000 0.214 1395 A C 1.826 179.237 177.584 -0.288 0.000 1.173 1395 A CA 0.944 52.627 52.037 -0.591 0.000 0.673 1395 A CB -0.457 17.745 19.000 -1.331 0.000 0.830 1395 A HN 0.626 nan 8.150 nan 0.000 0.453 1396 G N -2.291 106.316 108.800 -0.322 0.000 2.179 1396 G HA2 -0.119 3.840 3.960 -0.003 0.000 0.220 1396 G HA3 -0.119 3.840 3.960 -0.003 0.000 0.220 1396 G C 0.088 175.179 174.900 0.319 0.000 0.990 1396 G CA 0.275 45.326 45.100 -0.083 0.000 0.646 1396 G HN 1.597 nan 8.290 nan 0.000 0.517 1397 F N -1.245 118.836 119.950 0.218 0.000 2.741 1397 F HA 0.762 5.287 4.527 -0.003 0.000 0.313 1397 F C -0.786 175.370 175.800 0.594 0.000 1.153 1397 F CA -2.501 55.763 58.000 0.441 0.000 0.931 1397 F CB 0.581 39.719 39.000 0.229 0.000 1.335 1397 F HN 0.438 nan 8.300 nan 0.000 0.460 1398 Y N 0.417 121.117 120.300 0.667 0.000 2.485 1398 Y HA 0.822 5.370 4.550 -0.003 0.000 0.345 1398 Y C -0.876 175.348 175.900 0.541 0.000 0.998 1398 Y CA -2.053 56.321 58.100 0.456 0.000 1.059 1398 Y CB 1.076 39.721 38.460 0.308 0.000 1.234 1398 Y HN 0.651 nan 8.280 nan 0.000 0.461 1399 I N 2.584 123.450 120.570 0.494 0.000 2.395 1399 I HA 0.170 4.339 4.170 -0.003 0.000 0.289 1399 I C 0.477 176.804 176.117 0.350 0.000 1.023 1399 I CA 0.166 61.719 61.300 0.423 0.000 1.350 1399 I CB 1.587 39.733 38.000 0.244 0.000 1.409 1399 I HN 0.871 nan 8.210 nan 0.000 0.507 1400 S N 2.447 118.339 115.700 0.320 0.000 2.460 1400 S HA 0.037 4.505 4.470 -0.003 0.000 0.226 1400 S C 0.597 175.304 174.600 0.177 0.000 1.057 1400 S CA 0.181 58.523 58.200 0.237 0.000 0.948 1400 S CB 0.314 63.630 63.200 0.193 0.000 0.822 1400 S HN 0.682 nan 8.310 nan 0.000 0.512 1401 S N 0.277 116.090 115.700 0.189 0.000 2.733 1401 S HA 0.549 5.017 4.470 -0.003 0.000 0.294 1401 S C 0.360 175.061 174.600 0.169 0.000 1.149 1401 S CA -0.562 57.733 58.200 0.157 0.000 1.034 1401 S CB 1.267 64.553 63.200 0.144 0.000 1.015 1401 S HN 0.301 nan 8.310 nan 0.000 0.486 1402 G N 2.507 111.389 108.800 0.136 0.000 3.088 1402 G HA2 0.163 4.121 3.960 -0.003 0.000 0.212 1402 G HA3 0.163 4.121 3.960 -0.003 0.000 0.212 1402 G C 0.615 175.578 174.900 0.106 0.000 1.173 1402 G CA 0.252 45.422 45.100 0.118 0.000 0.779 1402 G HN 0.894 nan 8.290 nan 0.000 0.540 1403 S N -0.663 115.101 115.700 0.107 0.000 2.614 1403 S HA 0.509 4.978 4.470 -0.003 0.000 0.265 1403 S C -0.793 173.843 174.600 0.060 0.000 1.303 1403 S CA -0.667 57.561 58.200 0.047 0.000 1.000 1403 S CB 1.431 64.635 63.200 0.006 0.000 0.935 1403 S HN 0.313 nan 8.310 nan 0.000 0.551 1404 Y N 1.515 121.723 120.300 -0.154 0.000 2.322 1404 Y HA 0.469 5.018 4.550 -0.003 0.000 0.324 1404 Y C -0.223 175.562 175.900 -0.193 0.000 1.027 1404 Y CA -1.326 56.680 58.100 -0.156 0.000 1.179 1404 Y CB 1.491 39.867 38.460 -0.140 0.000 1.136 1404 Y HN 0.716 nan 8.280 nan 0.000 0.449 1405 V N 5.114 124.607 119.914 -0.702 0.000 3.023 1405 V HA 0.290 4.408 4.120 -0.003 0.000 0.384 1405 V C 0.368 176.139 176.094 -0.537 0.000 1.289 1405 V CA -0.157 61.823 62.300 -0.532 0.000 1.383 1405 V CB -0.983 30.702 31.823 -0.230 0.000 1.388 1405 V HN 0.969 nan 8.190 nan 0.000 0.551 1406 L N -1.250 119.302 121.223 -1.118 0.000 3.865 1406 L HA -0.185 4.154 4.340 -0.003 0.000 0.408 1406 L C 0.861 177.633 176.870 -0.163 0.000 1.209 1406 L CA 0.534 55.043 54.840 -0.552 0.000 0.940 1406 L CB -1.613 40.364 42.059 -0.138 0.000 1.971 1406 L HN 0.596 nan 8.230 nan 0.000 0.899 1407 R N 1.564 121.795 120.500 -0.448 0.000 2.539 1407 R HA 0.205 4.544 4.340 -0.003 0.000 0.275 1407 R C -1.152 175.276 176.300 0.214 0.000 1.077 1407 R CA -0.924 55.086 56.100 -0.149 0.000 1.097 1407 R CB 0.638 30.688 30.300 -0.415 0.000 1.018 1407 R HN 0.022 nan 8.270 nan 0.000 0.483 1408 P HA 0.107 nan 4.420 nan 0.000 0.264 1408 P C -0.083 177.370 177.300 0.255 0.000 1.259 1408 P CA 0.350 63.621 63.100 0.284 0.000 0.841 1408 P CB 0.568 32.423 31.700 0.259 0.000 1.232 1409 E N 0.282 120.659 120.200 0.296 0.000 2.160 1409 E HA -0.113 4.236 4.350 -0.003 0.000 0.195 1409 E C 2.005 178.567 176.600 -0.063 0.000 0.991 1409 E CA 1.115 57.611 56.400 0.161 0.000 0.810 1409 E CB -1.058 28.788 29.700 0.243 0.000 0.742 1409 E HN 0.070 nan 8.360 nan 0.000 0.466 1410 V N 0.522 120.309 119.914 -0.211 0.000 2.346 1410 V HA -0.165 3.954 4.120 -0.003 0.000 0.244 1410 V C 2.093 177.641 176.094 -0.909 0.000 1.037 1410 V CA 1.283 63.184 62.300 -0.666 0.000 1.029 1410 V CB -0.306 30.963 31.823 -0.923 0.000 0.663 1410 V HN 0.258 nan 8.190 nan 0.000 0.454 1411 I N 0.256 120.550 120.570 -0.460 0.000 2.286 1411 I HA -0.266 3.903 4.170 -0.003 0.000 0.248 1411 I C 2.574 178.611 176.117 -0.133 0.000 1.115 1411 I CA 1.861 63.040 61.300 -0.201 0.000 1.392 1411 I CB -0.327 37.744 38.000 0.119 0.000 1.065 1411 I HN 0.471 nan 8.210 nan 0.000 0.418 1412 E N 1.056 121.109 120.200 -0.245 0.000 2.038 1412 E HA -0.237 4.111 4.350 -0.003 0.000 0.195 1412 E C 2.214 178.762 176.600 -0.087 0.000 1.000 1412 E CA 1.990 58.069 56.400 -0.536 0.000 0.803 1412 E CB 0.035 29.465 29.700 -0.450 0.000 0.750 1412 E HN 0.354 nan 8.360 nan 0.000 0.448 1413 S N -0.174 115.502 115.700 -0.039 0.000 2.402 1413 S HA -0.054 4.414 4.470 -0.003 0.000 0.229 1413 S C 1.581 176.310 174.600 0.214 0.000 1.021 1413 S CA 0.819 59.078 58.200 0.098 0.000 0.974 1413 S CB -0.333 62.862 63.200 -0.009 0.000 0.800 1413 S HN 0.335 nan 8.310 nan 0.000 0.484 1414 F N -0.036 119.966 119.950 0.087 0.000 2.171 1414 F HA -0.159 4.367 4.527 -0.003 0.000 0.300 1414 F C 2.301 178.177 175.800 0.127 0.000 1.090 1414 F CA 0.994 59.075 58.000 0.135 0.000 1.293 1414 F CB -0.348 38.783 39.000 0.219 0.000 1.013 1414 F HN 0.263 nan 8.300 nan 0.000 0.486 1415 Y N -0.006 120.405 120.300 0.186 0.000 2.145 1415 Y HA -0.329 4.219 4.550 -0.003 0.000 0.286 1415 Y C 2.159 178.073 175.900 0.024 0.000 1.145 1415 Y CA 1.654 59.786 58.100 0.054 0.000 1.148 1415 Y CB -0.765 37.617 38.460 -0.131 0.000 0.981 1415 Y HN -0.024 nan 8.280 nan 0.000 0.507 1416 Y N -0.200 119.991 120.300 -0.183 0.000 2.293 1416 Y HA -0.147 4.402 4.550 -0.003 0.000 0.291 1416 Y C 2.614 178.378 175.900 -0.225 0.000 1.137 1416 Y CA 1.034 58.974 58.100 -0.268 0.000 1.202 1416 Y CB -0.666 37.735 38.460 -0.098 0.000 0.990 1416 Y HN 0.275 nan 8.280 nan 0.000 0.537 1417 A N -0.545 122.247 122.820 -0.046 0.000 1.933 1417 A HA -0.273 4.046 4.320 -0.003 0.000 0.218 1417 A C 1.887 179.341 177.584 -0.216 0.000 1.175 1417 A CA 2.087 53.936 52.037 -0.314 0.000 0.628 1417 A CB -0.979 17.543 19.000 -0.798 0.000 0.814 1417 A HN 0.594 nan 8.150 nan 0.000 0.444 1418 H N -0.281 118.711 119.070 -0.129 0.000 2.357 1418 H HA -0.025 4.529 4.556 -0.003 0.000 0.301 1418 H C 2.188 177.447 175.328 -0.115 0.000 1.082 1418 H CA 1.828 57.859 56.048 -0.029 0.000 1.342 1418 H CB 0.019 29.769 29.762 -0.020 0.000 1.389 1418 H HN 0.247 nan 8.280 nan 0.000 0.511 1419 R N -0.064 120.228 120.500 -0.347 0.000 2.092 1419 R HA -0.039 4.299 4.340 -0.003 0.000 0.231 1419 R C 2.450 178.616 176.300 -0.222 0.000 1.119 1419 R CA 1.094 56.972 56.100 -0.370 0.000 0.970 1419 R CB -0.802 29.237 30.300 -0.436 0.000 0.864 1419 R HN 0.314 nan 8.270 nan 0.000 0.440 1420 V N 0.856 120.683 119.914 -0.145 0.000 2.407 1420 V HA -0.154 3.965 4.120 -0.003 0.000 0.245 1420 V C 2.428 178.479 176.094 -0.072 0.000 1.041 1420 V CA 2.234 64.492 62.300 -0.071 0.000 1.040 1420 V CB -0.537 31.274 31.823 -0.020 0.000 0.671 1420 V HN 0.490 nan 8.190 nan 0.000 0.455 1421 T N -3.272 111.235 114.554 -0.078 0.000 3.051 1421 T HA 0.253 4.602 4.350 -0.003 0.000 0.255 1421 T C 1.664 176.331 174.700 -0.056 0.000 1.085 1421 T CA 1.089 63.171 62.100 -0.029 0.000 1.109 1421 T CB 0.614 69.516 68.868 0.056 0.000 0.921 1421 T HN 0.925 nan 8.240 nan 0.000 0.488 1422 G N 1.690 110.402 108.800 -0.147 0.000 2.184 1422 G HA2 -0.232 3.727 3.960 -0.003 0.000 0.264 1422 G HA3 -0.232 3.727 3.960 -0.003 0.000 0.264 1422 G C 0.050 174.898 174.900 -0.088 0.000 0.975 1422 G CA 0.115 45.087 45.100 -0.213 0.000 0.642 1422 G HN 0.599 nan 8.290 nan 0.000 0.536 1423 K N 0.422 120.841 120.400 0.031 0.000 2.298 1423 K HA 0.345 4.663 4.320 -0.003 0.000 0.280 1423 K C 1.102 177.730 176.600 0.048 0.000 1.032 1423 K CA -0.408 55.883 56.287 0.007 0.000 0.958 1423 K CB 1.415 33.876 32.500 -0.065 0.000 0.978 1423 K HN 0.192 nan 8.250 nan 0.000 0.472 1424 E N 2.444 122.602 120.200 -0.069 0.000 2.204 1424 E HA -0.095 4.253 4.350 -0.003 0.000 0.194 1424 E C 1.542 177.959 176.600 -0.305 0.000 0.989 1424 E CA 0.638 56.970 56.400 -0.114 0.000 0.824 1424 E CB -0.092 29.543 29.700 -0.109 0.000 0.756 1424 E HN 0.641 nan 8.360 nan 0.000 0.477 1425 I N -0.340 119.912 120.570 -0.530 0.000 2.264 1425 I HA -0.341 3.828 4.170 -0.003 0.000 0.248 1425 I C 1.314 176.788 176.117 -1.073 0.000 1.111 1425 I CA 1.331 62.132 61.300 -0.832 0.000 1.382 1425 I CB -0.037 37.319 38.000 -1.074 0.000 1.060 1425 I HN 0.232 nan 8.210 nan 0.000 0.418 1426 Y N 0.273 120.202 120.300 -0.618 0.000 2.293 1426 Y HA -0.231 4.318 4.550 -0.003 0.000 0.291 1426 Y C 2.697 178.443 175.900 -0.256 0.000 1.137 1426 Y CA 1.303 59.103 58.100 -0.499 0.000 1.202 1426 Y CB -0.421 37.904 38.460 -0.224 0.000 0.990 1426 Y HN 0.163 nan 8.280 nan 0.000 0.537 1427 R N 0.862 121.229 120.500 -0.222 0.000 2.066 1427 R HA -0.156 4.182 4.340 -0.003 0.000 0.232 1427 R C 1.460 177.739 176.300 -0.036 0.000 1.131 1427 R CA 2.126 58.020 56.100 -0.343 0.000 0.955 1427 R CB -0.304 29.560 30.300 -0.727 0.000 0.851 1427 R HN 0.142 nan 8.270 nan 0.000 0.432 1428 D N -0.323 120.047 120.400 -0.051 0.000 2.149 1428 D HA -0.186 4.453 4.640 -0.003 0.000 0.198 1428 D C 1.478 177.974 176.300 0.326 0.000 0.990 1428 D CA 1.018 55.104 54.000 0.143 0.000 0.839 1428 D CB -0.303 40.510 40.800 0.022 0.000 0.948 1428 D HN 0.356 nan 8.370 nan 0.000 0.460 1429 W N 0.833 122.118 121.300 -0.026 0.000 2.402 1429 W HA -0.033 4.626 4.660 -0.003 0.000 0.286 1429 W C 2.293 178.912 176.519 0.166 0.000 1.221 1429 W CA 0.071 57.353 57.345 -0.105 0.000 1.257 1429 W CB -1.135 27.929 29.460 -0.660 0.000 1.120 1429 W HN -0.127 nan 8.180 nan 0.000 0.551 1430 V N -0.252 119.956 119.914 0.491 0.000 2.270 1430 V HA -0.304 3.814 4.120 -0.003 0.000 0.245 1430 V C 2.139 178.580 176.094 0.577 0.000 1.043 1430 V CA 1.977 64.614 62.300 0.562 0.000 1.014 1430 V CB -1.143 30.953 31.823 0.455 0.000 0.645 1430 V HN 0.311 nan 8.190 nan 0.000 0.447 1431 W N 1.309 122.858 121.300 0.415 0.000 2.335 1431 W HA -0.253 4.405 4.660 -0.002 0.000 0.311 1431 W C 2.222 178.934 176.519 0.321 0.000 1.213 1431 W CA 2.175 59.740 57.345 0.367 0.000 1.274 1431 W CB -0.373 29.256 29.460 0.282 0.000 1.148 1431 W HN 0.410 nan 8.180 nan 0.000 0.498 1432 N N 0.264 119.150 118.700 0.309 0.000 2.120 1432 N HA -0.167 4.571 4.740 -0.003 0.000 0.188 1432 N C 1.993 177.552 175.510 0.082 0.000 1.024 1432 N CA 1.394 54.521 53.050 0.129 0.000 0.852 1432 N CB -0.509 38.099 38.487 0.202 0.000 1.003 1432 N HN 0.082 nan 8.380 nan 0.000 0.424 1433 A N 1.017 123.969 122.820 0.221 0.000 1.898 1433 A HA -0.141 4.178 4.320 -0.003 0.000 0.216 1433 A C 1.957 179.619 177.584 0.129 0.000 1.181 1433 A CA 0.900 53.087 52.037 0.250 0.000 0.620 1433 A CB -0.854 18.366 19.000 0.367 0.000 0.819 1433 A HN 0.392 nan 8.150 nan 0.000 0.442 1434 F N 0.880 120.831 119.950 0.001 0.000 2.126 1434 F HA -0.155 4.370 4.527 -0.003 0.000 0.299 1434 F C 2.115 177.766 175.800 -0.248 0.000 1.096 1434 F CA 1.967 59.904 58.000 -0.105 0.000 1.255 1434 F CB -0.372 38.570 39.000 -0.098 0.000 0.997 1434 F HN 0.017 nan 8.300 nan 0.000 0.479 1435 V N 0.533 120.087 119.914 -0.600 0.000 2.427 1435 V HA -0.253 3.865 4.120 -0.003 0.000 0.248 1435 V C 2.737 178.596 176.094 -0.391 0.000 1.051 1435 V CA 1.663 63.578 62.300 -0.643 0.000 1.048 1435 V CB -1.454 30.025 31.823 -0.572 0.000 0.666 1435 V HN 0.504 nan 8.190 nan 0.000 0.456 1436 A N -0.256 122.414 122.820 -0.250 0.000 1.930 1436 A HA -0.103 4.215 4.320 -0.003 0.000 0.217 1436 A C 2.154 179.627 177.584 -0.185 0.000 1.175 1436 A CA 1.515 53.449 52.037 -0.172 0.000 0.627 1436 A CB -0.437 18.495 19.000 -0.114 0.000 0.815 1436 A HN 0.502 nan 8.150 nan 0.000 0.443 1437 I N -0.301 120.138 120.570 -0.219 0.000 2.252 1437 I HA -0.226 3.943 4.170 -0.003 0.000 0.245 1437 I C 2.346 178.383 176.117 -0.133 0.000 1.102 1437 I CA 1.598 62.803 61.300 -0.158 0.000 1.385 1437 I CB -0.318 37.609 38.000 -0.122 0.000 1.064 1437 I HN 0.419 nan 8.210 nan 0.000 0.414 1438 N N 0.240 118.746 118.700 -0.323 0.000 2.244 1438 N HA -0.144 4.594 4.740 -0.003 0.000 0.183 1438 N C 1.756 177.230 175.510 -0.060 0.000 1.016 1438 N CA 1.507 54.456 53.050 -0.168 0.000 0.866 1438 N CB 0.136 38.304 38.487 -0.531 0.000 0.980 1438 N HN 0.154 nan 8.380 nan 0.000 0.430 1439 S N -1.677 113.951 115.700 -0.120 0.000 2.388 1439 S HA 0.010 4.478 4.470 -0.003 0.000 0.223 1439 S C 1.747 176.326 174.600 -0.035 0.000 1.034 1439 S CA 1.142 59.297 58.200 -0.076 0.000 0.963 1439 S CB -0.184 62.962 63.200 -0.089 0.000 0.827 1439 S HN 0.398 nan 8.310 nan 0.000 0.481 1440 T N 0.847 115.382 114.554 -0.031 0.000 2.894 1440 T HA 0.012 4.361 4.350 -0.003 0.000 0.258 1440 T C 1.793 176.519 174.700 0.043 0.000 1.043 1440 T CA 0.935 63.032 62.100 -0.005 0.000 1.141 1440 T CB -0.276 68.574 68.868 -0.029 0.000 0.873 1440 T HN 0.413 nan 8.240 nan 0.000 0.449 1441 C N 0.835 120.197 119.300 0.104 0.000 2.735 1441 C HA 0.363 4.821 4.460 -0.003 0.000 0.271 1441 C C 1.339 176.440 174.990 0.186 0.000 1.281 1441 C CA -1.069 58.056 59.018 0.178 0.000 1.719 1441 C CB -0.883 27.019 27.740 0.270 0.000 2.024 1441 C HN 0.397 nan 8.230 nan 0.000 0.566 1442 R N 2.193 122.776 120.500 0.138 0.000 2.537 1442 R HA 0.305 4.644 4.340 -0.003 0.000 0.280 1442 R C 0.477 176.701 176.300 -0.126 0.000 1.058 1442 R CA 0.859 56.871 56.100 -0.147 0.000 1.057 1442 R CB 0.566 30.749 30.300 -0.194 0.000 0.973 1442 R HN 0.570 nan 8.270 nan 0.000 0.438 1443 T N -0.726 113.738 114.554 -0.149 0.000 2.807 1443 T HA 0.226 4.574 4.350 -0.003 0.000 0.277 1443 T C 0.425 175.130 174.700 0.008 0.000 1.006 1443 T CA -0.891 61.172 62.100 -0.062 0.000 1.006 1443 T CB 1.230 70.062 68.868 -0.060 0.000 1.274 1443 T HN 0.467 nan 8.240 nan 0.000 0.569 1444 D N 0.466 120.874 120.400 0.012 0.000 2.264 1444 D HA -0.027 4.611 4.640 -0.003 0.000 0.208 1444 D C 2.100 178.439 176.300 0.066 0.000 0.966 1444 D CA 1.703 55.747 54.000 0.074 0.000 0.864 1444 D CB -0.080 40.744 40.800 0.039 0.000 0.933 1444 D HN 0.644 nan 8.370 nan 0.000 0.499 1445 S N -1.600 114.075 115.700 -0.041 0.000 2.514 1445 S HA 0.397 4.865 4.470 -0.003 0.000 0.223 1445 S C 1.159 175.563 174.600 -0.326 0.000 1.046 1445 S CA 0.446 58.581 58.200 -0.107 0.000 0.914 1445 S CB 1.429 64.625 63.200 -0.006 0.000 0.807 1445 S HN 0.265 nan 8.310 nan 0.000 0.497 1446 G N 0.330 108.969 108.800 -0.269 0.000 2.929 1446 G HA2 0.552 4.511 3.960 -0.003 0.000 0.123 1446 G HA3 0.552 4.511 3.960 -0.003 0.000 0.123 1446 G C -1.797 172.771 174.900 -0.554 0.000 1.212 1446 G CA -0.708 44.194 45.100 -0.331 0.000 1.238 1446 G HN 0.235 nan 8.290 nan 0.000 0.617 1447 F N 0.734 120.701 119.950 0.029 0.000 2.565 1447 F HA 0.809 5.335 4.527 -0.003 0.000 0.313 1447 F C 0.384 176.171 175.800 -0.021 0.000 1.091 1447 F CA -0.555 57.455 58.000 0.017 0.000 0.915 1447 F CB 2.644 41.644 39.000 -0.001 0.000 1.208 1447 F HN 0.646 nan 8.300 nan 0.000 0.453 1448 A N 1.289 124.199 122.820 0.150 0.000 2.374 1448 A HA 0.893 5.211 4.320 -0.003 0.000 0.317 1448 A C -0.689 176.917 177.584 0.037 0.000 1.094 1448 A CA -0.674 51.405 52.037 0.069 0.000 0.765 1448 A CB 1.038 20.069 19.000 0.052 0.000 1.268 1448 A HN 1.035 nan 8.150 nan 0.000 0.438 1449 A N 0.470 123.255 122.820 -0.059 0.000 2.425 1449 A HA 0.549 4.867 4.320 -0.003 0.000 0.242 1449 A C 0.432 177.889 177.584 -0.211 0.000 1.077 1449 A CA 0.452 52.350 52.037 -0.232 0.000 0.781 1449 A CB -0.186 18.552 19.000 -0.436 0.000 1.020 1449 A HN 2.162 nan 8.150 nan 0.000 0.494 1450 V N -0.690 119.088 119.914 -0.227 0.000 3.001 1450 V HA 0.705 4.823 4.120 -0.003 0.000 0.314 1450 V C 0.758 176.787 176.094 -0.107 0.000 1.099 1450 V CA 0.128 62.384 62.300 -0.072 0.000 0.989 1450 V CB 1.335 33.182 31.823 0.039 0.000 1.040 1450 V HN 1.305 nan 8.190 nan 0.000 0.434 1451 S N -0.544 115.238 115.700 0.136 0.000 2.458 1451 S HA 0.127 4.595 4.470 -0.003 0.000 0.223 1451 S C 0.450 175.127 174.600 0.128 0.000 1.019 1451 S CA 0.936 59.281 58.200 0.241 0.000 0.937 1451 S CB -0.112 63.283 63.200 0.325 0.000 0.788 1451 S HN 0.965 nan 8.310 nan 0.000 0.511 1452 D N 1.347 121.796 120.400 0.082 0.000 2.375 1452 D HA 0.203 4.841 4.640 -0.003 0.000 0.241 1452 D C 0.810 177.126 176.300 0.026 0.000 1.361 1452 D CA -0.338 53.695 54.000 0.055 0.000 0.995 1452 D CB 1.840 42.667 40.800 0.046 0.000 1.312 1452 D HN 0.066 nan 8.370 nan 0.000 0.576 1453 V N 1.761 121.686 119.914 0.018 0.000 3.241 1453 V HA 0.002 4.120 4.120 -0.003 0.000 0.269 1453 V C 1.125 177.204 176.094 -0.025 0.000 1.151 1453 V CA 1.038 63.325 62.300 -0.023 0.000 1.158 1453 V CB -0.593 31.192 31.823 -0.064 0.000 0.764 1453 V HN 0.293 nan 8.190 nan 0.000 0.508 1454 N N 0.638 119.327 118.700 -0.019 0.000 2.273 1454 N HA 0.225 4.964 4.740 -0.003 0.000 0.231 1454 N C -0.214 175.278 175.510 -0.030 0.000 1.134 1454 N CA -0.109 52.920 53.050 -0.035 0.000 0.856 1454 N CB 0.070 38.498 38.487 -0.099 0.000 1.068 1454 N HN 0.639 nan 8.380 nan 0.000 0.510 1455 K N -0.182 120.209 120.400 -0.014 0.000 2.422 1455 K HA 0.580 4.898 4.320 -0.003 0.000 0.251 1455 K C -0.753 175.845 176.600 -0.003 0.000 0.933 1455 K CA -1.042 55.240 56.287 -0.008 0.000 0.798 1455 K CB 1.974 34.474 32.500 -0.000 0.000 1.238 1455 K HN 0.045 nan 8.250 nan 0.000 0.428 1456 A N 2.697 125.516 122.820 -0.002 0.000 2.598 1456 A HA -0.092 4.226 4.320 -0.003 0.000 0.239 1456 A C 0.464 178.048 177.584 0.001 0.000 1.032 1456 A CA 0.487 52.523 52.037 -0.002 0.000 0.760 1456 A CB -0.394 18.606 19.000 0.000 0.000 0.946 1456 A HN 0.997 nan 8.150 nan 0.000 0.512 1457 N N 0.703 119.401 118.700 -0.003 0.000 2.778 1457 N HA -0.261 4.478 4.740 -0.003 0.000 0.249 1457 N C 0.968 176.483 175.510 0.009 0.000 1.069 1457 N CA 2.351 55.401 53.050 0.001 0.000 0.831 1457 N CB -1.509 36.980 38.487 0.004 0.000 1.142 1457 N HN 2.236 nan 8.380 nan 0.000 0.573 1458 G N -1.471 107.333 108.800 0.007 0.000 2.159 1458 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.256 1458 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.256 1458 G C 1.145 176.068 174.900 0.038 0.000 0.977 1458 G CA 1.106 46.217 45.100 0.018 0.000 0.652 1458 G HN 1.557 nan 8.290 nan 0.000 0.531 1459 G N -1.112 107.707 108.800 0.032 0.000 3.031 1459 G HA2 -0.005 3.954 3.960 -0.003 0.000 0.289 1459 G HA3 -0.005 3.954 3.960 -0.003 0.000 0.289 1459 G C 0.339 175.270 174.900 0.051 0.000 1.393 1459 G CA 0.734 45.858 45.100 0.041 0.000 1.010 1459 G HN 1.888 nan 8.290 nan 0.000 0.579 1460 S N 1.019 116.768 115.700 0.082 0.000 2.526 1460 S HA 0.627 5.096 4.470 -0.003 0.000 0.293 1460 S C -0.324 174.366 174.600 0.151 0.000 1.092 1460 S CA -0.681 57.574 58.200 0.090 0.000 0.980 1460 S CB 2.023 65.269 63.200 0.076 0.000 1.048 1460 S HN 0.653 nan 8.310 nan 0.000 0.483 1461 K N 1.547 122.021 120.400 0.123 0.000 2.218 1461 K HA 0.356 4.675 4.320 -0.003 0.000 0.276 1461 K C -1.190 175.553 176.600 0.238 0.000 1.022 1461 K CA -0.355 56.023 56.287 0.151 0.000 0.946 1461 K CB 0.464 33.012 32.500 0.080 0.000 1.000 1461 K HN 0.454 nan 8.250 nan 0.000 0.468 1462 Y N 0.728 121.028 120.300 -0.001 0.000 2.320 1462 Y HA 0.034 4.583 4.550 -0.002 0.000 0.324 1462 Y C 0.565 176.452 175.900 -0.022 0.000 1.190 1462 Y CA -1.180 56.913 58.100 -0.011 0.000 1.215 1462 Y CB 0.838 39.292 38.460 -0.010 0.000 1.221 1462 Y HN 0.547 nan 8.280 nan 0.000 0.486 1463 D N 2.646 123.114 120.400 0.114 0.000 2.688 1463 D HA 0.030 4.668 4.640 -0.003 0.000 0.228 1463 D C -0.656 175.671 176.300 0.046 0.000 1.116 1463 D CA 0.293 54.316 54.000 0.039 0.000 1.023 1463 D CB -0.668 40.123 40.800 -0.014 0.000 1.100 1463 D HN 0.548 nan 8.370 nan 0.000 0.487 1464 N N 1.686 120.424 118.700 0.064 0.000 2.406 1464 N HA 0.122 4.861 4.740 -0.003 0.000 0.283 1464 N C -1.793 173.706 175.510 -0.019 0.000 1.074 1464 N CA -0.408 52.660 53.050 0.030 0.000 0.916 1464 N CB 1.505 40.037 38.487 0.076 0.000 1.639 1464 N HN 0.127 nan 8.380 nan 0.000 0.485 1465 Q N 3.083 122.852 119.800 -0.051 0.000 2.533 1465 Q HA 0.184 4.522 4.340 -0.003 0.000 0.251 1465 Q C -1.036 174.853 176.000 -0.185 0.000 0.966 1465 Q CA -0.572 55.172 55.803 -0.098 0.000 0.714 1465 Q CB 1.049 29.761 28.738 -0.043 0.000 1.284 1465 Q HN 0.527 nan 8.270 nan 0.000 0.478 1466 E N 0.868 120.850 120.200 -0.364 0.000 2.404 1466 E HA -0.023 4.326 4.350 -0.003 0.000 0.261 1466 E C 0.975 177.265 176.600 -0.516 0.000 1.074 1466 E CA 0.522 56.557 56.400 -0.609 0.000 0.917 1466 E CB 1.323 30.172 29.700 -1.420 0.000 0.965 1466 E HN 0.800 nan 8.360 nan 0.000 0.433 1467 S N 2.063 117.563 115.700 -0.333 0.000 2.442 1467 S HA -0.200 4.269 4.470 -0.003 0.000 0.236 1467 S C 1.637 176.270 174.600 0.055 0.000 1.007 1467 S CA 1.143 59.316 58.200 -0.044 0.000 0.965 1467 S CB -0.551 62.642 63.200 -0.012 0.000 0.773 1467 S HN 0.550 nan 8.310 nan 0.000 0.504 1468 F N 1.132 121.115 119.950 0.056 0.000 2.641 1468 F HA 0.292 4.818 4.527 -0.003 0.000 0.298 1468 F C 1.850 177.665 175.800 0.024 0.000 1.146 1468 F CA -0.393 57.632 58.000 0.042 0.000 1.464 1468 F CB -0.738 38.278 39.000 0.026 0.000 1.101 1468 F HN 0.168 nan 8.300 nan 0.000 0.585 1469 L N 0.238 121.502 121.223 0.068 0.000 2.017 1469 L HA -0.187 4.151 4.340 -0.003 0.000 0.208 1469 L C 2.019 178.861 176.870 -0.047 0.000 1.073 1469 L CA 2.201 57.003 54.840 -0.063 0.000 0.745 1469 L CB -0.943 40.914 42.059 -0.337 0.000 0.894 1469 L HN 0.206 nan 8.230 nan 0.000 0.432 1470 F N 0.269 120.284 119.950 0.108 0.000 2.128 1470 F HA -0.067 4.458 4.527 -0.003 0.000 0.295 1470 F C 2.693 178.619 175.800 0.209 0.000 1.100 1470 F CA 1.163 59.269 58.000 0.177 0.000 1.260 1470 F CB -0.662 38.403 39.000 0.109 0.000 1.009 1470 F HN 0.170 nan 8.300 nan 0.000 0.476 1471 A N -0.218 122.799 122.820 0.329 0.000 1.897 1471 A HA -0.105 4.213 4.320 -0.003 0.000 0.215 1471 A C 1.977 179.553 177.584 -0.013 0.000 1.181 1471 A CA 1.735 53.855 52.037 0.140 0.000 0.620 1471 A CB -0.415 18.603 19.000 0.030 0.000 0.821 1471 A HN 0.420 nan 8.150 nan 0.000 0.443 1472 E N -1.022 119.208 120.200 0.050 0.000 2.207 1472 E HA 0.054 4.403 4.350 -0.003 0.000 0.197 1472 E C 1.963 178.617 176.600 0.090 0.000 0.914 1472 E CA 0.606 56.994 56.400 -0.019 0.000 0.914 1472 E CB -0.155 29.617 29.700 0.121 0.000 0.893 1472 E HN 0.249 nan 8.360 nan 0.000 0.479 1473 V N 2.070 122.094 119.914 0.184 0.000 2.287 1473 V HA -0.267 3.852 4.120 -0.003 0.000 0.248 1473 V C 2.361 178.562 176.094 0.177 0.000 1.053 1473 V CA 1.552 63.980 62.300 0.213 0.000 1.027 1473 V CB -0.359 31.576 31.823 0.187 0.000 0.646 1473 V HN 0.314 nan 8.190 nan 0.000 0.447 1474 M N -0.589 119.104 119.600 0.156 0.000 2.319 1474 M HA -0.096 4.383 4.480 -0.003 0.000 0.265 1474 M C 2.118 178.460 176.300 0.071 0.000 1.068 1474 M CA 1.499 56.901 55.300 0.171 0.000 1.118 1474 M CB -1.054 31.764 32.600 0.363 0.000 1.395 1474 M HN 0.347 nan 8.290 nan 0.000 0.435 1475 K N -0.307 120.079 120.400 -0.023 0.000 2.044 1475 K HA -0.120 4.198 4.320 -0.003 0.000 0.204 1475 K C 1.964 178.460 176.600 -0.172 0.000 1.049 1475 K CA 1.193 57.391 56.287 -0.149 0.000 0.945 1475 K CB -0.073 32.251 32.500 -0.294 0.000 0.724 1475 K HN 0.231 nan 8.250 nan 0.000 0.440 1476 Y N 0.788 121.016 120.300 -0.119 0.000 2.224 1476 Y HA -0.175 4.373 4.550 -0.003 0.000 0.289 1476 Y C 2.625 178.463 175.900 -0.104 0.000 1.146 1476 Y CA 1.045 58.974 58.100 -0.285 0.000 1.182 1476 Y CB 0.090 38.432 38.460 -0.197 0.000 0.983 1476 Y HN 0.111 nan 8.280 nan 0.000 0.524 1477 S N -0.727 115.078 115.700 0.175 0.000 2.382 1477 S HA -0.232 4.237 4.470 -0.003 0.000 0.228 1477 S C 1.669 176.376 174.600 0.178 0.000 1.027 1477 S CA 1.389 59.697 58.200 0.180 0.000 0.991 1477 S CB -0.551 62.687 63.200 0.063 0.000 0.823 1477 S HN 0.540 nan 8.310 nan 0.000 0.469 1478 Y N 2.222 122.516 120.300 -0.011 0.000 2.184 1478 Y HA 0.051 4.600 4.550 -0.003 0.000 0.290 1478 Y C 1.828 177.763 175.900 0.058 0.000 1.129 1478 Y CA 1.091 59.191 58.100 0.000 0.000 1.144 1478 Y CB -0.459 37.950 38.460 -0.085 0.000 0.995 1478 Y HN 0.103 nan 8.280 nan 0.000 0.513 1479 L N 0.096 121.301 121.223 -0.029 0.000 2.127 1479 L HA -0.224 4.114 4.340 -0.003 0.000 0.211 1479 L C 2.700 179.608 176.870 0.063 0.000 1.089 1479 L CA 1.116 55.924 54.840 -0.052 0.000 0.757 1479 L CB -0.991 40.967 42.059 -0.167 0.000 0.899 1479 L HN 0.362 nan 8.230 nan 0.000 0.434 1480 A N -0.691 122.176 122.820 0.078 0.000 2.070 1480 A HA -0.200 4.118 4.320 -0.003 0.000 0.220 1480 A C 1.625 178.980 177.584 -0.381 0.000 1.159 1480 A CA 1.593 53.638 52.037 0.013 0.000 0.656 1480 A CB -0.621 18.359 19.000 -0.033 0.000 0.800 1480 A HN 0.543 nan 8.150 nan 0.000 0.453 1481 H N -1.188 117.834 119.070 -0.080 0.000 2.986 1481 H HA 0.213 4.767 4.556 -0.003 0.000 0.267 1481 H C 1.092 176.287 175.328 -0.222 0.000 1.072 1481 H CA 0.373 56.330 56.048 -0.152 0.000 1.202 1481 H CB 0.417 30.084 29.762 -0.158 0.000 1.535 1481 H HN 0.520 nan 8.280 nan 0.000 0.522 1482 S N 0.521 116.067 115.700 -0.256 0.000 2.713 1482 S HA 0.187 4.656 4.470 -0.003 0.000 0.277 1482 S C 0.313 174.858 174.600 -0.092 0.000 1.168 1482 S CA -1.099 56.911 58.200 -0.316 0.000 0.994 1482 S CB 1.459 64.194 63.200 -0.775 0.000 1.054 1482 S HN 0.439 nan 8.310 nan 0.000 0.555 1483 E N 0.076 120.255 120.200 -0.035 0.000 2.418 1483 E HA 0.198 4.546 4.350 -0.003 0.000 0.261 1483 E C -0.563 176.031 176.600 -0.010 0.000 1.070 1483 E CA -0.588 55.809 56.400 -0.006 0.000 0.931 1483 E CB 0.169 29.874 29.700 0.008 0.000 0.954 1483 E HN 0.544 nan 8.360 nan 0.000 0.439 1484 D N 0.427 120.802 120.400 -0.041 0.000 2.362 1484 D HA 0.450 5.088 4.640 -0.003 0.000 0.242 1484 D C -0.874 175.310 176.300 -0.194 0.000 1.132 1484 D CA 0.459 54.415 54.000 -0.074 0.000 0.907 1484 D CB 1.136 41.898 40.800 -0.062 0.000 1.195 1484 D HN 0.655 nan 8.370 nan 0.000 0.429 1485 A N 0.865 123.502 122.820 -0.307 0.000 2.544 1485 A HA 0.571 4.890 4.320 -0.003 0.000 0.291 1485 A C 0.407 177.698 177.584 -0.488 0.000 1.055 1485 A CA 0.033 51.717 52.037 -0.588 0.000 0.651 1485 A CB 0.192 18.418 19.000 -1.289 0.000 1.296 1485 A HN 0.451 nan 8.150 nan 0.000 0.431 1486 A N -0.615 121.941 122.820 -0.441 0.000 1.978 1486 A HA -0.023 4.296 4.320 -0.003 0.000 0.220 1486 A C 1.521 179.116 177.584 0.018 0.000 1.170 1486 A CA 2.294 54.270 52.037 -0.103 0.000 0.636 1486 A CB -1.006 18.039 19.000 0.074 0.000 0.810 1486 A HN 1.872 nan 8.150 nan 0.000 0.448 1487 W N 0.058 121.290 121.300 -0.113 0.000 2.699 1487 W HA 0.204 4.863 4.660 -0.002 0.000 0.249 1487 W C 0.482 177.073 176.519 0.120 0.000 1.280 1487 W CA -0.104 57.083 57.345 -0.264 0.000 1.345 1487 W CB -0.543 28.632 29.460 -0.475 0.000 1.128 1487 W HN 0.130 nan 8.180 nan 0.000 0.642 1488 Q N 1.373 121.365 119.800 0.321 0.000 2.394 1488 Q HA 0.167 4.505 4.340 -0.003 0.000 0.248 1488 Q C 0.219 176.444 176.000 0.375 0.000 0.992 1488 Q CA -0.245 55.804 55.803 0.410 0.000 0.888 1488 Q CB 2.080 30.955 28.738 0.228 0.000 1.257 1488 Q HN -0.072 nan 8.270 nan 0.000 0.462 1489 V N 2.969 123.104 119.914 0.370 0.000 2.740 1489 V HA -0.027 4.092 4.120 -0.003 0.000 0.303 1489 V C 0.472 176.639 176.094 0.122 0.000 1.054 1489 V CA 0.182 62.627 62.300 0.243 0.000 1.106 1489 V CB 0.824 32.664 31.823 0.029 0.000 0.957 1489 V HN 0.644 nan 8.190 nan 0.000 0.486 1490 Q N 2.907 122.789 119.800 0.135 0.000 2.495 1490 Q HA 0.565 4.904 4.340 -0.003 0.000 0.283 1490 Q C -0.791 175.247 176.000 0.064 0.000 1.097 1490 Q CA -0.952 54.895 55.803 0.073 0.000 0.836 1490 Q CB 2.147 30.931 28.738 0.076 0.000 1.426 1490 Q HN 0.600 nan 8.270 nan 0.000 0.459 1491 K N -0.118 120.301 120.400 0.033 0.000 2.087 1491 K HA 0.550 4.869 4.320 -0.003 0.000 0.255 1491 K C 0.585 177.209 176.600 0.040 0.000 0.988 1491 K CA 0.197 56.504 56.287 0.032 0.000 0.915 1491 K CB 0.789 33.293 32.500 0.007 0.000 1.043 1491 K HN 0.810 nan 8.250 nan 0.000 0.457 1492 G N 1.031 109.860 108.800 0.048 0.000 2.611 1492 G HA2 -0.354 3.605 3.960 -0.003 0.000 0.301 1492 G HA3 -0.354 3.605 3.960 -0.003 0.000 0.301 1492 G C 0.619 175.549 174.900 0.051 0.000 1.233 1492 G CA 0.114 45.244 45.100 0.050 0.000 0.993 1492 G HN 0.772 nan 8.290 nan 0.000 0.553 1493 G N -0.262 108.559 108.800 0.034 0.000 3.523 1493 G HA2 0.450 4.409 3.960 -0.003 0.000 0.270 1493 G HA3 0.450 4.409 3.960 -0.003 0.000 0.270 1493 G C 1.071 175.973 174.900 0.003 0.000 1.134 1493 G CA 0.943 46.051 45.100 0.014 0.000 0.825 1493 G HN 0.663 nan 8.290 nan 0.000 0.534 1494 K N 0.256 120.667 120.400 0.019 0.000 2.487 1494 K HA 0.039 4.358 4.320 -0.003 0.000 0.192 1494 K C 0.006 176.629 176.600 0.037 0.000 1.027 1494 K CA -0.176 56.123 56.287 0.019 0.000 1.054 1494 K CB 0.144 32.657 32.500 0.021 0.000 0.824 1494 K HN 0.228 nan 8.250 nan 0.000 0.510 1495 N N 1.289 120.021 118.700 0.053 0.000 2.468 1495 N HA -0.037 4.701 4.740 -0.003 0.000 0.265 1495 N C 0.773 176.315 175.510 0.054 0.000 1.199 1495 N CA 0.235 53.342 53.050 0.095 0.000 0.928 1495 N CB 1.054 39.621 38.487 0.133 0.000 1.059 1495 N HN 0.092 nan 8.380 nan 0.000 0.467 1496 T N -1.452 113.159 114.554 0.094 0.000 3.023 1496 T HA 0.268 4.617 4.350 -0.003 0.000 0.253 1496 T C -0.051 174.562 174.700 -0.145 0.000 1.038 1496 T CA 0.167 62.257 62.100 -0.016 0.000 0.962 1496 T CB -0.082 68.796 68.868 0.015 0.000 1.018 1496 T HN 0.202 nan 8.240 nan 0.000 0.521 1497 F N 0.543 120.538 119.950 0.075 0.000 2.588 1497 F HA 0.714 5.239 4.527 -0.003 0.000 0.314 1497 F C -0.779 175.089 175.800 0.114 0.000 1.069 1497 F CA -1.325 56.720 58.000 0.075 0.000 0.931 1497 F CB 2.449 41.488 39.000 0.065 0.000 1.260 1497 F HN -0.117 nan 8.300 nan 0.000 0.465 1498 V N 3.675 123.743 119.914 0.257 0.000 2.638 1498 V HA 0.496 4.614 4.120 -0.003 0.000 0.306 1498 V C -1.551 174.669 176.094 0.211 0.000 1.052 1498 V CA -0.661 61.798 62.300 0.265 0.000 0.885 1498 V CB 1.387 33.316 31.823 0.178 0.000 0.999 1498 V HN 0.573 nan 8.190 nan 0.000 0.424 1499 Y N 6.413 126.880 120.300 0.278 0.000 2.319 1499 Y HA 0.339 4.887 4.550 -0.003 0.000 0.328 1499 Y C 1.080 177.109 175.900 0.216 0.000 1.133 1499 Y CA -0.002 58.258 58.100 0.268 0.000 1.265 1499 Y CB 0.701 39.371 38.460 0.349 0.000 1.218 1499 Y HN 0.842 nan 8.280 nan 0.000 0.508 1500 N N 0.121 119.000 118.700 0.297 0.000 2.366 1500 N HA -0.025 4.714 4.740 -0.003 0.000 0.277 1500 N C 0.820 176.582 175.510 0.421 0.000 1.275 1500 N CA 0.119 53.348 53.050 0.297 0.000 0.964 1500 N CB 0.706 39.354 38.487 0.269 0.000 1.167 1500 N HN 0.634 nan 8.380 nan 0.000 0.568 1501 T N -1.318 113.523 114.554 0.479 0.000 3.160 1501 T HA -0.043 4.305 4.350 -0.003 0.000 0.257 1501 T C 0.638 175.448 174.700 0.184 0.000 1.147 1501 T CA 0.693 62.985 62.100 0.320 0.000 1.064 1501 T CB -0.272 68.697 68.868 0.168 0.000 0.949 1501 T HN 0.621 nan 8.240 nan 0.000 0.526 1502 E N 0.058 120.335 120.200 0.128 0.000 2.569 1502 E HA 0.569 4.918 4.350 -0.003 0.000 0.205 1502 E C 0.808 177.290 176.600 -0.196 0.000 1.006 1502 E CA 0.482 56.864 56.400 -0.030 0.000 0.985 1502 E CB -0.256 29.407 29.700 -0.062 0.000 1.060 1502 E HN 0.299 nan 8.360 nan 0.000 0.460 1503 A N 0.601 123.448 122.820 0.046 0.000 2.887 1503 A HA -0.204 4.114 4.320 -0.003 0.000 0.257 1503 A C -0.501 177.114 177.584 0.051 0.000 1.372 1503 A CA 1.032 53.111 52.037 0.070 0.000 0.879 1503 A CB -2.392 16.387 19.000 -0.367 0.000 1.082 1503 A HN 0.452 nan 8.150 nan 0.000 0.703 1504 H N 0.206 119.368 119.070 0.153 0.000 2.640 1504 H HA 0.408 4.962 4.556 -0.003 0.000 0.297 1504 H C -2.524 172.747 175.328 -0.095 0.000 1.073 1504 H CA -1.514 54.542 56.048 0.014 0.000 1.305 1504 H CB 0.788 30.570 29.762 0.032 0.000 1.404 1504 H HN 0.424 nan 8.280 nan 0.000 0.459 1505 P HA 0.097 nan 4.420 nan 0.000 0.281 1505 P C -0.256 177.113 177.300 0.115 0.000 1.252 1505 P CA -0.278 62.598 63.100 -0.372 0.000 0.778 1505 P CB 1.222 32.432 31.700 -0.816 0.000 0.895 1506 I N 1.914 122.597 120.570 0.189 0.000 2.377 1506 I HA 0.187 4.356 4.170 -0.003 0.000 0.293 1506 I C 1.025 177.194 176.117 0.087 0.000 0.987 1506 I CA -0.699 60.710 61.300 0.182 0.000 1.185 1506 I CB 1.200 39.244 38.000 0.074 0.000 1.341 1506 I HN 0.277 nan 8.210 nan 0.000 0.455 1507 S N 4.571 120.188 115.700 -0.139 0.000 2.549 1507 S HA 0.218 4.686 4.470 -0.003 0.000 0.286 1507 S C 0.273 174.722 174.600 -0.253 0.000 1.314 1507 S CA -0.555 57.249 58.200 -0.660 0.000 1.062 1507 S CB 0.641 63.571 63.200 -0.450 0.000 0.865 1507 S HN 0.436 nan 8.310 nan 0.000 0.498 1508 V N 2.683 122.389 119.914 -0.346 0.000 2.924 1508 V HA 0.687 4.805 4.120 -0.003 0.000 0.305 1508 V C 0.722 176.522 176.094 -0.489 0.000 1.073 1508 V CA -0.960 61.124 62.300 -0.359 0.000 1.098 1508 V CB -0.147 31.497 31.823 -0.297 0.000 1.000 1508 V HN 0.971 nan 8.190 nan 0.000 0.484 1509 A N 4.607 126.870 122.820 -0.929 0.000 2.583 1509 A HA 0.312 4.630 4.320 -0.003 0.000 0.231 1509 A C 1.040 178.439 177.584 -0.309 0.000 1.065 1509 A CA 0.463 52.135 52.037 -0.609 0.000 0.760 1509 A CB -0.420 18.149 19.000 -0.718 0.000 1.001 1509 A HN 1.184 nan 8.150 nan 0.000 0.509 1510 R N 0.000 120.391 120.500 -0.181 0.000 2.786 1510 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 1510 R CA 0.000 56.029 56.100 -0.119 0.000 0.921 1510 R CB 0.000 30.238 30.300 -0.103 0.000 0.687 1510 R HN 0.000 nan 8.270 nan 0.000 0.535