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 2ri8_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 0.000 174.517 174.600 -0.139 0.000 1.055 1036 S CA 0.000 58.136 58.200 -0.107 0.000 1.107 1036 S CB 0.000 63.140 63.200 -0.101 0.000 0.593 1037 N N 0.781 119.425 118.700 -0.093 0.000 2.149 1037 N HA -0.173 4.565 4.740 -0.003 0.000 0.188 1037 N C 1.686 177.164 175.510 -0.053 0.000 1.019 1037 N CA 1.557 54.573 53.050 -0.056 0.000 0.857 1037 N CB -0.166 38.305 38.487 -0.027 0.000 0.997 1037 N HN 0.387 nan 8.380 nan 0.000 0.426 1038 Q N 1.047 120.823 119.800 -0.039 0.000 2.167 1038 Q HA 0.016 4.355 4.340 -0.003 0.000 0.202 1038 Q C 1.786 177.782 176.000 -0.007 0.000 0.970 1038 Q CA 1.480 57.276 55.803 -0.012 0.000 0.855 1038 Q CB -0.161 28.577 28.738 0.000 0.000 0.911 1038 Q HN 0.366 nan 8.270 nan 0.000 0.438 1039 A N 0.128 122.924 122.820 -0.039 0.000 1.930 1039 A HA -0.102 4.216 4.320 -0.003 0.000 0.215 1039 A C 1.906 179.467 177.584 -0.039 0.000 1.176 1039 A CA 1.279 53.303 52.037 -0.021 0.000 0.632 1039 A CB -0.263 18.717 19.000 -0.033 0.000 0.819 1039 A HN 0.338 nan 8.150 nan 0.000 0.445 1040 K N -0.120 120.158 120.400 -0.203 0.000 2.057 1040 K HA -0.002 4.316 4.320 -0.003 0.000 0.206 1040 K C 2.315 178.860 176.600 -0.093 0.000 1.050 1040 K CA 1.037 57.097 56.287 -0.378 0.000 0.935 1040 K CB -0.294 31.592 32.500 -1.022 0.000 0.715 1040 K HN 0.409 nan 8.250 nan 0.000 0.439 1041 A N 1.990 124.778 122.820 -0.053 0.000 1.902 1041 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 1041 A C 1.629 179.338 177.584 0.208 0.000 1.181 1041 A CA 1.931 54.015 52.037 0.080 0.000 0.623 1041 A CB -0.467 18.538 19.000 0.007 0.000 0.818 1041 A HN 0.170 nan 8.150 nan 0.000 0.443 1042 D N 0.015 120.503 120.400 0.148 0.000 2.178 1042 D HA -0.047 4.591 4.640 -0.003 0.000 0.201 1042 D C 2.129 178.534 176.300 0.175 0.000 0.980 1042 D CA 1.421 55.513 54.000 0.153 0.000 0.842 1042 D CB -0.341 40.528 40.800 0.115 0.000 0.948 1042 D HN 0.440 nan 8.370 nan 0.000 0.472 1043 A N 0.298 123.241 122.820 0.205 0.000 2.015 1043 A HA -0.074 4.244 4.320 -0.003 0.000 0.219 1043 A C 2.437 180.197 177.584 0.293 0.000 1.163 1043 A CA 0.766 52.980 52.037 0.294 0.000 0.646 1043 A CB -0.343 18.936 19.000 0.465 0.000 0.806 1043 A HN 0.143 nan 8.150 nan 0.000 0.448 1044 V N -0.079 119.912 119.914 0.130 0.000 2.407 1044 V HA -0.203 3.916 4.120 -0.003 0.000 0.245 1044 V C 2.365 178.552 176.094 0.155 0.000 1.041 1044 V CA 2.092 64.365 62.300 -0.046 0.000 1.040 1044 V CB -0.586 31.121 31.823 -0.193 0.000 0.671 1044 V HN 0.510 nan 8.190 nan 0.000 0.455 1045 K N -0.140 120.337 120.400 0.130 0.000 2.103 1045 K HA -0.232 4.087 4.320 -0.003 0.000 0.207 1045 K C 2.306 179.058 176.600 0.254 0.000 1.048 1045 K CA 1.564 57.905 56.287 0.090 0.000 0.930 1045 K CB -0.194 32.319 32.500 0.022 0.000 0.716 1045 K HN 0.381 nan 8.250 nan 0.000 0.444 1046 E N 0.928 121.284 120.200 0.260 0.000 2.077 1046 E HA -0.169 4.180 4.350 -0.003 0.000 0.193 1046 E C 1.834 178.663 176.600 0.383 0.000 0.989 1046 E CA 1.320 57.894 56.400 0.289 0.000 0.800 1046 E CB 0.008 29.854 29.700 0.243 0.000 0.746 1046 E HN 0.278 nan 8.360 nan 0.000 0.452 1047 A N 0.475 123.564 122.820 0.449 0.000 1.930 1047 A HA -0.146 4.173 4.320 -0.003 0.000 0.217 1047 A C 2.110 180.072 177.584 0.631 0.000 1.175 1047 A CA 1.226 53.610 52.037 0.578 0.000 0.627 1047 A CB -0.913 18.476 19.000 0.648 0.000 0.815 1047 A HN 0.436 nan 8.150 nan 0.000 0.443 1048 F N 0.403 120.576 119.950 0.371 0.000 2.146 1048 F HA -0.169 4.356 4.527 -0.003 0.000 0.298 1048 F C 2.375 178.436 175.800 0.435 0.000 1.096 1048 F CA 2.171 60.388 58.000 0.362 0.000 1.275 1048 F CB -0.184 38.936 39.000 0.199 0.000 1.008 1048 F HN 0.288 nan 8.300 nan 0.000 0.480 1049 Q N -0.036 120.091 119.800 0.545 0.000 2.084 1049 Q HA -0.258 4.080 4.340 -0.003 0.000 0.202 1049 Q C 2.117 178.323 176.000 0.345 0.000 0.978 1049 Q CA 2.241 58.297 55.803 0.422 0.000 0.844 1049 Q CB -0.707 28.242 28.738 0.351 0.000 0.898 1049 Q HN 0.694 nan 8.270 nan 0.000 0.426 1050 H N -0.634 118.592 119.070 0.262 0.000 2.319 1050 H HA -0.072 4.482 4.556 -0.003 0.000 0.299 1050 H C 1.589 177.012 175.328 0.158 0.000 1.092 1050 H CA 2.420 58.575 56.048 0.177 0.000 1.302 1050 H CB -0.347 29.507 29.762 0.153 0.000 1.373 1050 H HN 0.299 nan 8.280 nan 0.000 0.497 1051 A N 0.871 123.785 122.820 0.156 0.000 1.930 1051 A HA -0.152 4.166 4.320 -0.003 0.000 0.217 1051 A C 2.489 180.253 177.584 0.301 0.000 1.175 1051 A CA 1.135 53.253 52.037 0.135 0.000 0.627 1051 A CB -1.433 17.695 19.000 0.214 0.000 0.815 1051 A HN 0.808 nan 8.150 nan 0.000 0.443 1052 W N 1.308 122.680 121.300 0.121 0.000 2.358 1052 W HA -0.199 4.460 4.660 -0.002 0.000 0.303 1052 W C 1.557 178.079 176.519 0.005 0.000 1.208 1052 W CA 1.871 59.206 57.345 -0.017 0.000 1.274 1052 W CB -0.301 29.033 29.460 -0.209 0.000 1.138 1052 W HN 0.392 nan 8.180 nan 0.000 0.515 1053 N N 0.353 119.045 118.700 -0.012 0.000 2.069 1053 N HA -0.144 4.594 4.740 -0.003 0.000 0.191 1053 N C 1.947 177.337 175.510 -0.199 0.000 1.031 1053 N CA 2.184 55.161 53.050 -0.122 0.000 0.852 1053 N CB -1.382 37.093 38.487 -0.019 0.000 1.018 1053 N HN 0.254 nan 8.380 nan 0.000 0.423 1054 G N -0.425 108.293 108.800 -0.138 0.000 2.432 1054 G HA2 -0.276 3.683 3.960 -0.003 0.000 0.219 1054 G HA3 -0.276 3.683 3.960 -0.003 0.000 0.219 1054 G C 1.497 176.420 174.900 0.037 0.000 1.135 1054 G CA 0.597 45.678 45.100 -0.032 0.000 0.767 1054 G HN 0.377 nan 8.290 nan 0.000 0.550 1055 Y N 0.661 120.872 120.300 -0.148 0.000 2.200 1055 Y HA 0.032 4.581 4.550 -0.003 0.000 0.290 1055 Y C 2.674 178.404 175.900 -0.283 0.000 1.137 1055 Y CA 1.237 59.237 58.100 -0.166 0.000 1.163 1055 Y CB -0.111 38.216 38.460 -0.222 0.000 0.988 1055 Y HN 0.063 nan 8.280 nan 0.000 0.518 1056 M N 0.463 119.598 119.600 -0.775 0.000 2.175 1056 M HA -0.170 4.308 4.480 -0.003 0.000 0.264 1056 M C 2.233 178.268 176.300 -0.442 0.000 1.063 1056 M CA 1.626 56.467 55.300 -0.766 0.000 1.119 1056 M CB -0.866 31.279 32.600 -0.757 0.000 1.377 1056 M HN 0.299 nan 8.290 nan 0.000 0.415 1057 K N -0.500 119.654 120.400 -0.409 0.000 2.026 1057 K HA -0.177 4.141 4.320 -0.003 0.000 0.208 1057 K C 1.365 177.660 176.600 -0.509 0.000 1.048 1057 K CA 1.688 57.676 56.287 -0.498 0.000 0.929 1057 K CB 0.048 32.128 32.500 -0.701 0.000 0.713 1057 K HN 0.307 nan 8.250 nan 0.000 0.439 1058 Y N -2.066 118.175 120.300 -0.099 0.000 2.442 1058 Y HA 0.325 4.873 4.550 -0.003 0.000 0.250 1058 Y C 1.486 177.397 175.900 0.019 0.000 1.113 1058 Y CA 0.051 58.133 58.100 -0.031 0.000 1.273 1058 Y CB 1.011 39.462 38.460 -0.015 0.000 1.138 1058 Y HN 0.146 nan 8.280 nan 0.000 0.522 1059 A N -0.882 121.980 122.820 0.070 0.000 1.937 1059 A HA 0.150 4.468 4.320 -0.003 0.000 0.198 1059 A C 0.038 177.585 177.584 -0.060 0.000 1.635 1059 A CA -0.363 51.742 52.037 0.113 0.000 1.111 1059 A CB -0.533 18.634 19.000 0.278 0.000 1.165 1059 A HN 0.162 nan 8.150 nan 0.000 0.460 1060 F N 3.257 122.811 119.950 -0.660 0.000 2.629 1060 F HA 0.225 4.750 4.527 -0.003 0.000 0.377 1060 F C -1.095 174.503 175.800 -0.337 0.000 1.101 1060 F CA -1.025 56.576 58.000 -0.665 0.000 1.301 1060 F CB 0.871 39.352 39.000 -0.864 0.000 1.062 1060 F HN 0.086 nan 8.300 nan 0.000 0.583 1061 P HA -0.017 nan 4.420 nan 0.000 0.257 1061 P C -0.071 176.953 177.300 -0.459 0.000 1.325 1061 P CA 0.282 62.623 63.100 -1.265 0.000 0.850 1061 P CB -0.160 30.832 31.700 -1.180 0.000 1.324 1062 H N 0.998 119.944 119.070 -0.207 0.000 2.871 1062 H HA -0.010 4.544 4.556 -0.003 0.000 0.377 1062 H C 1.112 176.536 175.328 0.160 0.000 1.307 1062 H CA 0.390 56.420 56.048 -0.030 0.000 1.449 1062 H CB 0.736 30.480 29.762 -0.030 0.000 1.452 1062 H HN 0.016 nan 8.280 nan 0.000 0.619 1063 D N 0.180 120.755 120.400 0.292 0.000 2.117 1063 D HA -0.097 4.541 4.640 -0.003 0.000 0.197 1063 D C 0.919 177.347 176.300 0.213 0.000 0.987 1063 D CA 1.464 55.614 54.000 0.250 0.000 0.829 1063 D CB 0.441 41.356 40.800 0.191 0.000 0.961 1063 D HN 0.623 nan 8.370 nan 0.000 0.460 1064 E N -0.148 120.202 120.200 0.250 0.000 2.430 1064 E HA 0.285 4.634 4.350 -0.003 0.000 0.279 1064 E C -1.116 175.650 176.600 0.277 0.000 1.003 1064 E CA -0.943 55.568 56.400 0.184 0.000 0.801 1064 E CB 1.677 31.406 29.700 0.048 0.000 1.313 1064 E HN -0.015 nan 8.360 nan 0.000 0.459 1065 L N 1.221 122.612 121.223 0.280 0.000 2.371 1065 L HA 0.424 4.762 4.340 -0.003 0.000 0.272 1065 L C -0.092 176.839 176.870 0.101 0.000 1.124 1065 L CA 0.214 55.208 54.840 0.256 0.000 0.816 1065 L CB 1.228 43.465 42.059 0.298 0.000 1.129 1065 L HN 0.663 nan 8.230 nan 0.000 0.448 1066 T N 2.918 117.496 114.554 0.040 0.000 2.832 1066 T HA 0.397 4.745 4.350 -0.003 0.000 0.313 1066 T C -1.659 173.010 174.700 -0.052 0.000 1.035 1066 T CA -1.633 60.453 62.100 -0.023 0.000 0.950 1066 T CB 0.766 69.590 68.868 -0.072 0.000 0.984 1066 T HN 0.644 nan 8.240 nan 0.000 0.486 1067 P HA -0.058 nan 4.420 nan 0.000 0.226 1067 P C 1.111 178.361 177.300 -0.084 0.000 1.146 1067 P CA 0.338 63.403 63.100 -0.058 0.000 0.773 1067 P CB 0.226 31.909 31.700 -0.028 0.000 0.772 1068 V N 0.427 120.295 119.914 -0.078 0.000 2.788 1068 V HA -0.036 4.083 4.120 -0.003 0.000 0.241 1068 V C 2.535 178.558 176.094 -0.118 0.000 1.083 1068 V CA 1.818 64.071 62.300 -0.078 0.000 1.103 1068 V CB -0.810 30.990 31.823 -0.038 0.000 0.800 1068 V HN 0.238 nan 8.190 nan 0.000 0.476 1069 S N -0.589 115.032 115.700 -0.132 0.000 2.593 1069 S HA 0.026 4.494 4.470 -0.003 0.000 0.217 1069 S C 0.643 175.089 174.600 -0.256 0.000 0.966 1069 S CA 0.030 58.134 58.200 -0.160 0.000 0.914 1069 S CB -0.431 62.688 63.200 -0.135 0.000 0.776 1069 S HN 0.576 nan 8.310 nan 0.000 0.523 1070 N N 1.618 120.118 118.700 -0.333 0.000 2.696 1070 N HA -0.100 4.638 4.740 -0.003 0.000 0.256 1070 N C 0.095 175.352 175.510 -0.422 0.000 1.031 1070 N CA 1.031 53.694 53.050 -0.645 0.000 0.730 1070 N CB -1.500 36.260 38.487 -1.212 0.000 0.894 1070 N HN 0.742 nan 8.380 nan 0.000 0.544 1071 G N -0.959 107.725 108.800 -0.193 0.000 3.247 1071 G HA2 0.721 4.679 3.960 -0.003 0.000 0.226 1071 G HA3 0.721 4.679 3.960 -0.003 0.000 0.226 1071 G C -0.626 174.251 174.900 -0.039 0.000 1.220 1071 G CA -0.266 44.755 45.100 -0.130 0.000 0.875 1071 G HN 0.576 nan 8.290 nan 0.000 0.606 1072 H N -2.340 116.679 119.070 -0.085 0.000 2.980 1072 H HA 0.872 5.427 4.556 -0.003 0.000 0.367 1072 H C -0.519 174.721 175.328 -0.146 0.000 1.206 1072 H CA -0.633 55.352 56.048 -0.106 0.000 1.126 1072 H CB 1.640 31.255 29.762 -0.244 0.000 1.838 1072 H HN 0.911 nan 8.280 nan 0.000 0.552 1073 A N 0.507 123.381 122.820 0.089 0.000 2.593 1073 A HA 0.561 4.879 4.320 -0.003 0.000 0.290 1073 A C -1.551 176.106 177.584 0.122 0.000 1.126 1073 A CA -0.779 51.288 52.037 0.049 0.000 0.695 1073 A CB 1.507 20.513 19.000 0.009 0.000 1.290 1073 A HN 0.809 nan 8.150 nan 0.000 0.414 1074 D N 1.468 121.921 120.400 0.087 0.000 2.621 1074 D HA 0.195 4.833 4.640 -0.003 0.000 0.274 1074 D C 0.684 177.010 176.300 0.043 0.000 1.215 1074 D CA 0.482 54.538 54.000 0.093 0.000 0.810 1074 D CB 1.075 41.936 40.800 0.101 0.000 1.248 1074 D HN 0.532 nan 8.370 nan 0.000 0.517 1075 S N 0.252 115.981 115.700 0.049 0.000 2.603 1075 S HA 0.025 4.493 4.470 -0.003 0.000 0.220 1075 S C 0.982 175.615 174.600 0.055 0.000 0.967 1075 S CA 0.059 58.282 58.200 0.039 0.000 0.920 1075 S CB 0.335 63.556 63.200 0.035 0.000 0.773 1075 S HN 0.149 nan 8.310 nan 0.000 0.529 1076 R N 1.283 121.828 120.500 0.075 0.000 2.989 1076 R HA 0.323 4.661 4.340 -0.003 0.000 0.340 1076 R C -0.582 175.707 176.300 -0.019 0.000 1.205 1076 R CA 0.009 56.193 56.100 0.140 0.000 1.235 1076 R CB -0.735 29.732 30.300 0.280 0.000 1.394 1076 R HN 0.461 nan 8.270 nan 0.000 0.598 1077 N N 0.147 118.699 118.700 -0.245 0.000 2.863 1077 N HA -0.234 4.504 4.740 -0.003 0.000 0.245 1077 N C 0.738 175.748 175.510 -0.832 0.000 1.001 1077 N CA 1.138 53.775 53.050 -0.688 0.000 0.901 1077 N CB -0.811 36.847 38.487 -1.383 0.000 1.124 1077 N HN 0.678 nan 8.380 nan 0.000 0.582 1078 G N -1.801 106.782 108.800 -0.361 0.000 2.153 1078 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.252 1078 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.252 1078 G C 0.326 175.162 174.900 -0.108 0.000 0.994 1078 G CA 0.450 45.429 45.100 -0.201 0.000 0.698 1078 G HN 0.447 nan 8.290 nan 0.000 0.521 1079 W N 0.239 121.580 121.300 0.070 0.000 3.290 1079 W HA 0.472 5.131 4.660 -0.002 0.000 0.287 1079 W C 1.448 178.129 176.519 0.270 0.000 1.288 1079 W CA 0.125 57.453 57.345 -0.030 0.000 1.725 1079 W CB -0.468 28.757 29.460 -0.391 0.000 1.103 1079 W HN 1.370 nan 8.180 nan 0.000 0.670 1080 G N 0.699 109.785 108.800 0.477 0.000 2.325 1080 G HA2 -0.122 3.836 3.960 -0.003 0.000 0.248 1080 G HA3 -0.122 3.836 3.960 -0.003 0.000 0.248 1080 G C 1.176 176.343 174.900 0.446 0.000 1.108 1080 G CA 0.141 45.482 45.100 0.401 0.000 0.881 1080 G HN 0.280 nan 8.290 nan 0.000 0.494 1081 A N 0.063 123.123 122.820 0.400 0.000 1.927 1081 A HA 0.025 4.343 4.320 -0.003 0.000 0.220 1081 A C 2.708 180.302 177.584 0.017 0.000 1.185 1081 A CA 2.863 54.938 52.037 0.063 0.000 0.639 1081 A CB -0.551 18.444 19.000 -0.009 0.000 0.820 1081 A HN 1.234 nan 8.150 nan 0.000 0.451 1082 S N -0.562 115.128 115.700 -0.017 0.000 2.402 1082 S HA 0.046 4.515 4.470 -0.003 0.000 0.229 1082 S C 2.253 176.772 174.600 -0.136 0.000 1.021 1082 S CA 1.034 59.120 58.200 -0.190 0.000 0.974 1082 S CB -0.379 62.389 63.200 -0.719 0.000 0.800 1082 S HN 0.812 nan 8.310 nan 0.000 0.484 1083 A N 1.081 123.965 122.820 0.106 0.000 1.873 1083 A HA -0.009 4.310 4.320 -0.003 0.000 0.215 1083 A C 2.295 180.008 177.584 0.214 0.000 1.186 1083 A CA 1.352 53.580 52.037 0.317 0.000 0.616 1083 A CB -0.798 18.423 19.000 0.370 0.000 0.823 1083 A HN 0.343 nan 8.150 nan 0.000 0.442 1084 V N 0.355 120.405 119.914 0.227 0.000 2.427 1084 V HA -0.189 3.929 4.120 -0.003 0.000 0.248 1084 V C 2.153 178.302 176.094 0.093 0.000 1.051 1084 V CA 2.217 64.633 62.300 0.194 0.000 1.048 1084 V CB -0.736 31.271 31.823 0.305 0.000 0.666 1084 V HN 0.462 nan 8.190 nan 0.000 0.456 1085 D N 0.264 120.729 120.400 0.107 0.000 2.178 1085 D HA -0.044 4.594 4.640 -0.003 0.000 0.202 1085 D C 2.148 178.612 176.300 0.273 0.000 0.974 1085 D CA 1.327 55.464 54.000 0.229 0.000 0.841 1085 D CB -0.069 40.858 40.800 0.212 0.000 0.953 1085 D HN 0.401 nan 8.370 nan 0.000 0.478 1086 A N 0.164 123.077 122.820 0.156 0.000 2.066 1086 A HA -0.078 4.240 4.320 -0.003 0.000 0.218 1086 A C 2.046 179.654 177.584 0.040 0.000 1.157 1086 A CA 0.561 52.678 52.037 0.133 0.000 0.670 1086 A CB -0.495 18.426 19.000 -0.132 0.000 0.804 1086 A HN 0.274 nan 8.150 nan 0.000 0.453 1087 L N 1.072 122.290 121.223 -0.008 0.000 1.990 1087 L HA -0.238 4.101 4.340 -0.003 0.000 0.213 1087 L C 2.816 179.623 176.870 -0.106 0.000 1.072 1087 L CA 3.036 57.830 54.840 -0.076 0.000 0.755 1087 L CB -0.772 41.257 42.059 -0.050 0.000 0.889 1087 L HN 0.508 nan 8.230 nan 0.000 0.432 1088 S N -2.698 112.969 115.700 -0.055 0.000 2.382 1088 S HA -0.198 4.271 4.470 -0.003 0.000 0.228 1088 S C 1.846 176.319 174.600 -0.211 0.000 1.027 1088 S CA 1.596 59.736 58.200 -0.100 0.000 0.991 1088 S CB -1.317 61.920 63.200 0.063 0.000 0.823 1088 S HN 0.571 nan 8.310 nan 0.000 0.469 1089 T N 2.588 117.044 114.554 -0.162 0.000 2.777 1089 T HA 0.138 4.487 4.350 -0.003 0.000 0.266 1089 T C 2.232 176.603 174.700 -0.549 0.000 1.040 1089 T CA 1.264 63.166 62.100 -0.330 0.000 1.141 1089 T CB -0.748 67.997 68.868 -0.204 0.000 0.868 1089 T HN 0.626 nan 8.240 nan 0.000 0.444 1090 A N 1.065 123.616 122.820 -0.448 0.000 1.902 1090 A HA -0.032 4.286 4.320 -0.003 0.000 0.217 1090 A C 2.572 179.914 177.584 -0.404 0.000 1.181 1090 A CA 1.241 52.990 52.037 -0.479 0.000 0.623 1090 A CB -1.006 17.787 19.000 -0.345 0.000 0.818 1090 A HN 0.348 nan 8.150 nan 0.000 0.443 1091 V N 0.129 119.836 119.914 -0.345 0.000 2.343 1091 V HA -0.266 3.853 4.120 -0.003 0.000 0.247 1091 V C 2.381 178.208 176.094 -0.444 0.000 1.051 1091 V CA 2.039 64.147 62.300 -0.321 0.000 1.036 1091 V CB -0.637 31.020 31.823 -0.277 0.000 0.654 1091 V HN 0.571 nan 8.190 nan 0.000 0.451 1092 I N -0.893 119.303 120.570 -0.622 0.000 2.439 1092 I HA -0.219 3.950 4.170 -0.003 0.000 0.251 1092 I C 2.277 178.114 176.117 -0.466 0.000 1.139 1092 I CA 1.533 62.321 61.300 -0.853 0.000 1.438 1092 I CB -0.145 37.298 38.000 -0.927 0.000 1.085 1092 I HN 0.272 nan 8.210 nan 0.000 0.427 1093 M N -0.188 119.074 119.600 -0.563 0.000 2.595 1093 M HA 0.115 4.593 4.480 -0.003 0.000 0.248 1093 M C 1.345 177.460 176.300 -0.308 0.000 1.119 1093 M CA 0.784 55.705 55.300 -0.631 0.000 1.079 1093 M CB 0.144 32.207 32.600 -0.896 0.000 1.472 1093 M HN 0.424 nan 8.290 nan 0.000 0.501 1094 G N 1.780 110.438 108.800 -0.236 0.000 2.147 1094 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.244 1094 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.244 1094 G C -0.175 174.651 174.900 -0.124 0.000 1.005 1094 G CA -0.050 44.977 45.100 -0.123 0.000 0.713 1094 G HN 0.459 nan 8.290 nan 0.000 0.515 1095 K N 0.494 120.784 120.400 -0.183 0.000 2.184 1095 K HA 0.596 4.914 4.320 -0.003 0.000 0.259 1095 K C 1.653 178.171 176.600 -0.136 0.000 1.119 1095 K CA 0.129 56.329 56.287 -0.145 0.000 0.991 1095 K CB 0.900 33.298 32.500 -0.171 0.000 1.522 1095 K HN 0.328 nan 8.250 nan 0.000 0.405 1096 A N 2.769 125.536 122.820 -0.089 0.000 1.933 1096 A HA -0.208 4.110 4.320 -0.003 0.000 0.218 1096 A C 1.426 178.968 177.584 -0.071 0.000 1.175 1096 A CA 1.562 53.554 52.037 -0.074 0.000 0.628 1096 A CB -0.130 18.844 19.000 -0.043 0.000 0.814 1096 A HN 0.590 nan 8.150 nan 0.000 0.444 1097 D N -0.181 120.185 120.400 -0.057 0.000 2.104 1097 D HA -0.119 4.520 4.640 -0.003 0.000 0.194 1097 D C 2.039 178.294 176.300 -0.074 0.000 0.994 1097 D CA 1.563 55.540 54.000 -0.038 0.000 0.830 1097 D CB -0.527 40.270 40.800 -0.006 0.000 0.959 1097 D HN 0.239 nan 8.370 nan 0.000 0.452 1098 V N 0.614 120.430 119.914 -0.164 0.000 2.427 1098 V HA -0.182 3.937 4.120 -0.003 0.000 0.248 1098 V C 2.626 178.536 176.094 -0.306 0.000 1.051 1098 V CA 0.904 62.985 62.300 -0.365 0.000 1.048 1098 V CB -0.393 31.050 31.823 -0.634 0.000 0.666 1098 V HN 0.055 nan 8.190 nan 0.000 0.456 1099 V N 0.651 120.437 119.914 -0.214 0.000 2.295 1099 V HA -0.239 3.879 4.120 -0.003 0.000 0.246 1099 V C 2.355 178.403 176.094 -0.076 0.000 1.049 1099 V CA 2.161 64.371 62.300 -0.150 0.000 1.024 1099 V CB -0.839 30.909 31.823 -0.125 0.000 0.648 1099 V HN 0.562 nan 8.190 nan 0.000 0.447 1100 N N 0.563 119.231 118.700 -0.053 0.000 2.120 1100 N HA -0.134 4.605 4.740 -0.003 0.000 0.188 1100 N C 1.901 177.420 175.510 0.015 0.000 1.024 1100 N CA 1.693 54.736 53.050 -0.012 0.000 0.852 1100 N CB -0.456 38.027 38.487 -0.008 0.000 1.003 1100 N HN 0.502 nan 8.380 nan 0.000 0.424 1101 A N 1.197 124.022 122.820 0.007 0.000 1.933 1101 A HA -0.059 4.259 4.320 -0.003 0.000 0.218 1101 A C 2.307 179.944 177.584 0.088 0.000 1.175 1101 A CA 0.879 52.939 52.037 0.038 0.000 0.628 1101 A CB -0.544 18.474 19.000 0.030 0.000 0.814 1101 A HN 0.217 nan 8.150 nan 0.000 0.444 1102 I N -0.519 120.088 120.570 0.062 0.000 2.353 1102 I HA -0.197 3.971 4.170 -0.003 0.000 0.248 1102 I C 2.230 178.452 176.117 0.174 0.000 1.119 1102 I CA 0.827 62.211 61.300 0.139 0.000 1.417 1102 I CB -0.296 37.727 38.000 0.039 0.000 1.078 1102 I HN 0.270 nan 8.210 nan 0.000 0.421 1103 L N 0.254 121.534 121.223 0.094 0.000 2.083 1103 L HA -0.170 4.169 4.340 -0.003 0.000 0.209 1103 L C 2.584 179.514 176.870 0.100 0.000 1.083 1103 L CA 1.138 56.029 54.840 0.086 0.000 0.752 1103 L CB -0.575 41.511 42.059 0.045 0.000 0.899 1103 L HN 0.248 nan 8.230 nan 0.000 0.433 1104 E N -0.782 119.485 120.200 0.113 0.000 2.106 1104 E HA -0.227 4.122 4.350 -0.003 0.000 0.192 1104 E C 2.017 178.706 176.600 0.148 0.000 0.984 1104 E CA 0.924 57.390 56.400 0.109 0.000 0.806 1104 E CB -0.296 29.468 29.700 0.107 0.000 0.750 1104 E HN 0.575 nan 8.360 nan 0.000 0.458 1105 H N 1.025 120.189 119.070 0.157 0.000 2.357 1105 H HA -0.053 4.501 4.556 -0.003 0.000 0.301 1105 H C 2.040 177.440 175.328 0.119 0.000 1.082 1105 H CA 1.289 57.461 56.048 0.206 0.000 1.342 1105 H CB 0.252 30.261 29.762 0.412 0.000 1.389 1105 H HN -0.071 nan 8.280 nan 0.000 0.511 1106 V N 1.709 121.651 119.914 0.046 0.000 2.332 1106 V HA -0.277 3.842 4.120 -0.003 0.000 0.248 1106 V C 3.122 179.155 176.094 -0.101 0.000 1.055 1106 V CA 1.609 63.893 62.300 -0.026 0.000 1.038 1106 V CB -1.307 30.577 31.823 0.102 0.000 0.651 1106 V HN 0.587 nan 8.190 nan 0.000 0.450 1107 A N -0.306 122.484 122.820 -0.049 0.000 2.024 1107 A HA -0.248 4.070 4.320 -0.003 0.000 0.220 1107 A C 1.806 179.330 177.584 -0.100 0.000 1.164 1107 A CA 2.113 54.120 52.037 -0.049 0.000 0.643 1107 A CB -0.467 18.526 19.000 -0.013 0.000 0.806 1107 A HN 0.558 nan 8.150 nan 0.000 0.451 1108 D N -0.829 119.473 120.400 -0.164 0.000 2.349 1108 D HA 0.210 4.849 4.640 -0.003 0.000 0.214 1108 D C 0.382 176.528 176.300 -0.257 0.000 1.063 1108 D CA -0.063 53.830 54.000 -0.178 0.000 0.847 1108 D CB 0.001 40.713 40.800 -0.147 0.000 0.933 1108 D HN 0.457 nan 8.370 nan 0.000 0.513 1109 I N 0.956 121.301 120.570 -0.376 0.000 2.634 1109 I HA 0.005 4.173 4.170 -0.003 0.000 0.284 1109 I C 0.408 176.252 176.117 -0.455 0.000 1.124 1109 I CA 0.117 61.109 61.300 -0.513 0.000 1.417 1109 I CB 0.616 38.090 38.000 -0.877 0.000 1.396 1109 I HN -0.241 nan 8.210 nan 0.000 0.571 1110 D N 5.679 125.834 120.400 -0.407 0.000 2.438 1110 D HA 0.214 4.853 4.640 -0.003 0.000 0.257 1110 D C 0.391 176.495 176.300 -0.326 0.000 1.148 1110 D CA -0.428 53.422 54.000 -0.249 0.000 0.902 1110 D CB 0.361 41.107 40.800 -0.090 0.000 1.062 1110 D HN 0.305 nan 8.370 nan 0.000 0.518 1111 F N 1.137 120.818 119.950 -0.448 0.000 2.641 1111 F HA -0.108 4.417 4.527 -0.003 0.000 0.298 1111 F C 2.465 178.101 175.800 -0.273 0.000 1.146 1111 F CA 0.663 58.191 58.000 -0.787 0.000 1.464 1111 F CB 0.166 38.668 39.000 -0.831 0.000 1.101 1111 F HN 0.328 nan 8.300 nan 0.000 0.585 1112 S N -1.196 114.547 115.700 0.072 0.000 2.558 1112 S HA 0.097 4.565 4.470 -0.003 0.000 0.217 1112 S C 0.467 175.183 174.600 0.194 0.000 0.975 1112 S CA -0.161 58.123 58.200 0.140 0.000 0.912 1112 S CB -0.141 63.114 63.200 0.090 0.000 0.776 1112 S HN 0.161 nan 8.310 nan 0.000 0.526 1113 K N 0.798 121.348 120.400 0.251 0.000 2.378 1113 K HA 0.630 4.948 4.320 -0.003 0.000 0.252 1113 K C -1.246 175.549 176.600 0.325 0.000 0.931 1113 K CA -0.369 56.059 56.287 0.234 0.000 0.794 1113 K CB 2.077 34.654 32.500 0.128 0.000 1.181 1113 K HN 0.130 nan 8.250 nan 0.000 0.425 1114 T N -0.502 114.151 114.554 0.164 0.000 3.003 1114 T HA 0.072 4.420 4.350 -0.003 0.000 0.354 1114 T C -0.029 174.664 174.700 -0.012 0.000 1.651 1114 T CA -0.542 61.558 62.100 0.000 0.000 1.103 1114 T CB 1.006 69.786 68.868 -0.148 0.000 1.450 1114 T HN 0.524 nan 8.240 nan 0.000 0.484 1115 S N 1.977 117.645 115.700 -0.054 0.000 2.575 1115 S HA 0.312 4.780 4.470 -0.003 0.000 0.215 1115 S C 0.088 174.668 174.600 -0.034 0.000 0.966 1115 S CA -0.245 57.937 58.200 -0.031 0.000 0.911 1115 S CB -0.025 63.158 63.200 -0.028 0.000 0.780 1115 S HN 0.666 nan 8.310 nan 0.000 0.514 1116 D N 1.435 121.801 120.400 -0.056 0.000 2.419 1116 D HA 0.289 4.927 4.640 -0.003 0.000 0.234 1116 D C -0.235 176.060 176.300 -0.008 0.000 1.014 1116 D CA -0.289 53.688 54.000 -0.039 0.000 0.919 1116 D CB 1.846 42.609 40.800 -0.062 0.000 1.366 1116 D HN 0.132 nan 8.370 nan 0.000 0.490 1117 T N -0.416 114.148 114.554 0.016 0.000 2.855 1117 T HA 0.214 4.563 4.350 -0.003 0.000 0.314 1117 T C -0.278 174.462 174.700 0.066 0.000 1.077 1117 T CA -0.182 61.948 62.100 0.050 0.000 1.095 1117 T CB 0.357 69.253 68.868 0.046 0.000 0.987 1117 T HN 0.085 nan 8.240 nan 0.000 0.546 1118 V N 4.009 123.990 119.914 0.113 0.000 2.495 1118 V HA 0.480 4.599 4.120 -0.003 0.000 0.298 1118 V C 0.276 176.456 176.094 0.143 0.000 1.031 1118 V CA -0.932 61.456 62.300 0.147 0.000 0.871 1118 V CB 1.683 33.645 31.823 0.232 0.000 0.988 1118 V HN 1.002 nan 8.190 nan 0.000 0.432 1119 S N 3.714 119.511 115.700 0.161 0.000 2.439 1119 S HA 0.259 4.728 4.470 -0.003 0.000 0.282 1119 S C 0.802 175.516 174.600 0.190 0.000 1.170 1119 S CA -0.573 57.730 58.200 0.170 0.000 1.054 1119 S CB 0.700 64.024 63.200 0.206 0.000 0.956 1119 S HN 0.689 nan 8.310 nan 0.000 0.490 1120 L N 6.989 128.293 121.223 0.135 0.000 2.046 1120 L HA 0.083 4.421 4.340 -0.003 0.000 0.208 1120 L C 1.654 178.649 176.870 0.207 0.000 1.077 1120 L CA 1.972 56.878 54.840 0.111 0.000 0.747 1120 L CB -1.019 40.999 42.059 -0.069 0.000 0.896 1120 L HN 0.856 nan 8.230 nan 0.000 0.432 1121 F N 0.236 120.222 119.950 0.060 0.000 2.051 1121 F HA -0.172 4.353 4.527 -0.003 0.000 0.296 1121 F C 2.352 178.234 175.800 0.136 0.000 1.122 1121 F CA 1.821 59.867 58.000 0.078 0.000 1.201 1121 F CB -0.170 38.845 39.000 0.026 0.000 0.978 1121 F HN 0.091 nan 8.300 nan 0.000 0.472 1122 E N 0.060 120.274 120.200 0.024 0.000 2.077 1122 E HA -0.162 4.186 4.350 -0.003 0.000 0.193 1122 E C 2.226 178.875 176.600 0.082 0.000 0.989 1122 E CA 1.870 58.230 56.400 -0.066 0.000 0.800 1122 E CB -0.887 28.904 29.700 0.151 0.000 0.746 1122 E HN 0.433 nan 8.360 nan 0.000 0.452 1123 T N 0.821 115.517 114.554 0.236 0.000 2.833 1123 T HA -0.085 4.263 4.350 -0.003 0.000 0.269 1123 T C 1.935 176.797 174.700 0.271 0.000 1.054 1123 T CA 1.595 63.931 62.100 0.393 0.000 1.135 1123 T CB -0.213 68.893 68.868 0.397 0.000 0.869 1123 T HN 0.158 nan 8.240 nan 0.000 0.466 1124 T N 2.607 117.271 114.554 0.185 0.000 2.770 1124 T HA 0.061 4.410 4.350 -0.003 0.000 0.263 1124 T C 2.069 176.831 174.700 0.103 0.000 1.039 1124 T CA 1.169 63.380 62.100 0.184 0.000 1.142 1124 T CB -0.325 68.749 68.868 0.344 0.000 0.868 1124 T HN 0.638 nan 8.240 nan 0.000 0.435 1125 I N -0.715 119.846 120.570 -0.015 0.000 2.676 1125 I HA 0.056 4.224 4.170 -0.003 0.000 0.259 1125 I C 2.293 178.469 176.117 0.098 0.000 1.194 1125 I CA 1.071 62.371 61.300 0.001 0.000 1.473 1125 I CB -0.216 37.664 38.000 -0.201 0.000 1.096 1125 I HN 0.036 nan 8.210 nan 0.000 0.443 1126 R N 0.088 120.630 120.500 0.070 0.000 2.056 1126 R HA 0.141 4.479 4.340 -0.003 0.000 0.215 1126 R C 2.176 178.498 176.300 0.036 0.000 1.205 1126 R CA 0.943 57.090 56.100 0.077 0.000 1.020 1126 R CB -0.731 29.532 30.300 -0.061 0.000 0.911 1126 R HN 0.282 nan 8.270 nan 0.000 0.451 1127 Y N 1.537 121.921 120.300 0.140 0.000 2.114 1127 Y HA -0.106 4.442 4.550 -0.003 0.000 0.284 1127 Y C 2.504 178.365 175.900 -0.064 0.000 1.119 1127 Y CA 1.023 59.180 58.100 0.096 0.000 1.108 1127 Y CB -0.343 38.213 38.460 0.159 0.000 0.995 1127 Y HN -0.016 nan 8.280 nan 0.000 0.491 1128 L N -0.319 120.926 121.223 0.037 0.000 1.971 1128 L HA -0.306 4.032 4.340 -0.003 0.000 0.215 1128 L C 2.531 179.335 176.870 -0.109 0.000 1.072 1128 L CA 1.765 56.520 54.840 -0.143 0.000 0.758 1128 L CB -0.664 41.269 42.059 -0.210 0.000 0.889 1128 L HN 0.342 nan 8.230 nan 0.000 0.433 1129 A N -0.504 122.300 122.820 -0.026 0.000 1.972 1129 A HA -0.126 4.193 4.320 -0.003 0.000 0.219 1129 A C 2.245 179.726 177.584 -0.171 0.000 1.169 1129 A CA 1.494 53.527 52.037 -0.008 0.000 0.635 1129 A CB -1.164 17.928 19.000 0.153 0.000 0.810 1129 A HN 0.563 nan 8.150 nan 0.000 0.446 1130 G N -0.709 107.889 108.800 -0.336 0.000 2.432 1130 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.219 1130 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.219 1130 G C 1.601 176.312 174.900 -0.315 0.000 1.135 1130 G CA 1.146 45.793 45.100 -0.756 0.000 0.767 1130 G HN 0.489 nan 8.290 nan 0.000 0.550 1131 M N -0.289 119.230 119.600 -0.134 0.000 2.193 1131 M HA 0.205 4.683 4.480 -0.003 0.000 0.265 1131 M C 2.500 178.774 176.300 -0.044 0.000 1.071 1131 M CA 0.719 55.989 55.300 -0.051 0.000 1.140 1131 M CB -0.273 32.313 32.600 -0.024 0.000 1.369 1131 M HN 0.108 nan 8.290 nan 0.000 0.423 1132 L N -0.632 120.540 121.223 -0.085 0.000 2.083 1132 L HA -0.188 4.150 4.340 -0.003 0.000 0.209 1132 L C 2.779 179.677 176.870 0.046 0.000 1.083 1132 L CA 1.245 56.056 54.840 -0.048 0.000 0.752 1132 L CB -0.722 41.278 42.059 -0.098 0.000 0.899 1132 L HN 0.346 nan 8.230 nan 0.000 0.433 1133 S N 0.155 115.851 115.700 -0.007 0.000 2.368 1133 S HA -0.123 4.345 4.470 -0.003 0.000 0.224 1133 S C 2.063 176.682 174.600 0.031 0.000 1.029 1133 S CA 1.320 59.538 58.200 0.030 0.000 0.988 1133 S CB -0.449 62.745 63.200 -0.010 0.000 0.838 1133 S HN 0.485 nan 8.310 nan 0.000 0.462 1134 G N -0.423 108.369 108.800 -0.013 0.000 2.422 1134 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.218 1134 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.218 1134 G C 1.294 176.231 174.900 0.062 0.000 1.146 1134 G CA 0.993 46.089 45.100 -0.007 0.000 0.769 1134 G HN 0.636 nan 8.290 nan 0.000 0.547 1135 Y N 1.684 121.973 120.300 -0.019 0.000 2.114 1135 Y HA -0.124 4.424 4.550 -0.003 0.000 0.284 1135 Y C 2.490 178.416 175.900 0.042 0.000 1.143 1135 Y CA 2.082 60.184 58.100 0.004 0.000 1.135 1135 Y CB -0.077 38.378 38.460 -0.009 0.000 0.980 1135 Y HN 0.164 nan 8.280 nan 0.000 0.499 1136 D N 0.162 120.727 120.400 0.275 0.000 2.178 1136 D HA -0.173 4.465 4.640 -0.003 0.000 0.201 1136 D C 2.231 178.669 176.300 0.229 0.000 0.980 1136 D CA 1.408 55.555 54.000 0.246 0.000 0.842 1136 D CB -0.270 40.731 40.800 0.335 0.000 0.948 1136 D HN 0.420 nan 8.370 nan 0.000 0.472 1137 L N -0.118 121.197 121.223 0.153 0.000 2.109 1137 L HA -0.041 4.297 4.340 -0.003 0.000 0.207 1137 L C 2.316 179.213 176.870 0.045 0.000 1.086 1137 L CA 0.491 55.383 54.840 0.085 0.000 0.760 1137 L CB -0.092 41.919 42.059 -0.079 0.000 0.910 1137 L HN 0.016 nan 8.230 nan 0.000 0.437 1138 L N -1.046 120.163 121.223 -0.024 0.000 2.341 1138 L HA -0.081 4.258 4.340 -0.003 0.000 0.214 1138 L C 1.970 178.780 176.870 -0.101 0.000 1.115 1138 L CA 0.344 55.147 54.840 -0.062 0.000 0.820 1138 L CB -0.022 41.986 42.059 -0.084 0.000 0.944 1138 L HN 0.209 nan 8.230 nan 0.000 0.452 1139 Q N -0.474 119.229 119.800 -0.161 0.000 2.280 1139 Q HA 0.155 4.494 4.340 -0.003 0.000 0.201 1139 Q C 0.790 176.757 176.000 -0.056 0.000 0.890 1139 Q CA 0.485 56.166 55.803 -0.204 0.000 0.947 1139 Q CB 0.689 29.151 28.738 -0.460 0.000 1.081 1139 Q HN 0.366 nan 8.270 nan 0.000 0.502 1140 G N -0.466 108.354 108.800 0.034 0.000 3.193 1140 G HA2 0.125 4.084 3.960 -0.003 0.000 0.186 1140 G HA3 0.125 4.084 3.960 -0.003 0.000 0.186 1140 G C -1.800 173.178 174.900 0.131 0.000 1.536 1140 G CA 0.042 45.202 45.100 0.100 0.000 0.943 1140 G HN 0.115 nan 8.290 nan 0.000 0.781 1141 P HA 0.086 nan 4.420 nan 0.000 0.226 1141 P C 0.670 178.104 177.300 0.224 0.000 1.146 1141 P CA 1.775 64.993 63.100 0.195 0.000 0.773 1141 P CB 0.276 32.121 31.700 0.242 0.000 0.772 1142 A N -0.954 121.979 122.820 0.189 0.000 2.610 1142 A HA 0.228 4.547 4.320 -0.003 0.000 0.291 1142 A C 1.772 179.386 177.584 0.050 0.000 1.116 1142 A CA -0.370 51.747 52.037 0.133 0.000 0.963 1142 A CB -0.251 18.807 19.000 0.096 0.000 1.220 1142 A HN -0.078 nan 8.150 nan 0.000 0.530 1143 K N 0.452 120.875 120.400 0.038 0.000 2.127 1143 K HA -0.181 4.138 4.320 -0.003 0.000 0.208 1143 K C 0.566 177.166 176.600 0.001 0.000 1.047 1143 K CA 1.835 58.124 56.287 0.003 0.000 0.927 1143 K CB -0.158 32.343 32.500 0.002 0.000 0.716 1143 K HN 0.637 nan 8.250 nan 0.000 0.450 1144 N N 0.491 119.200 118.700 0.014 0.000 2.327 1144 N HA 0.007 4.745 4.740 -0.003 0.000 0.231 1144 N C 0.751 176.265 175.510 0.008 0.000 1.130 1144 N CA -0.379 52.677 53.050 0.009 0.000 0.845 1144 N CB 0.356 38.851 38.487 0.014 0.000 1.073 1144 N HN 0.007 nan 8.380 nan 0.000 0.496 1145 L N 0.277 121.501 121.223 0.002 0.000 2.202 1145 L HA 0.177 4.516 4.340 -0.003 0.000 0.205 1145 L C 0.352 177.212 176.870 -0.017 0.000 1.083 1145 L CA 0.773 55.609 54.840 -0.008 0.000 0.790 1145 L CB 0.364 42.411 42.059 -0.020 0.000 0.942 1145 L HN -0.029 nan 8.230 nan 0.000 0.452 1146 V N -4.572 115.331 119.914 -0.018 0.000 3.188 1146 V HA 0.561 4.679 4.120 -0.003 0.000 0.305 1146 V C -1.615 174.471 176.094 -0.013 0.000 1.232 1146 V CA -0.955 61.335 62.300 -0.017 0.000 1.043 1146 V CB 1.927 33.736 31.823 -0.023 0.000 1.068 1146 V HN -0.043 nan 8.190 nan 0.000 0.439 1147 D N 3.056 123.450 120.400 -0.009 0.000 2.472 1147 D HA 0.484 5.122 4.640 -0.003 0.000 0.234 1147 D C -0.429 175.870 176.300 -0.003 0.000 1.088 1147 D CA 0.093 54.090 54.000 -0.006 0.000 0.882 1147 D CB 0.663 41.462 40.800 -0.002 0.000 1.037 1147 D HN 0.679 nan 8.370 nan 0.000 0.520 1148 N N 1.717 120.415 118.700 -0.004 0.000 2.471 1148 N HA -0.084 4.655 4.740 -0.003 0.000 0.253 1148 N C 1.148 176.660 175.510 0.003 0.000 1.451 1148 N CA -0.029 53.023 53.050 0.002 0.000 1.068 1148 N CB 0.877 39.367 38.487 0.005 0.000 1.396 1148 N HN 0.094 nan 8.380 nan 0.000 0.524 1149 Q N 1.092 120.891 119.800 -0.003 0.000 2.156 1149 Q HA -0.172 4.167 4.340 -0.003 0.000 0.211 1149 Q C 0.939 176.948 176.000 0.015 0.000 0.995 1149 Q CA 1.997 57.797 55.803 -0.004 0.000 0.877 1149 Q CB 0.062 28.796 28.738 -0.005 0.000 0.920 1149 Q HN 0.280 nan 8.270 nan 0.000 0.416 1150 D N -0.800 119.611 120.400 0.018 0.000 2.117 1150 D HA -0.118 4.520 4.640 -0.003 0.000 0.197 1150 D C 1.769 178.090 176.300 0.035 0.000 0.987 1150 D CA 0.963 54.978 54.000 0.027 0.000 0.829 1150 D CB -0.103 40.709 40.800 0.020 0.000 0.961 1150 D HN 0.324 nan 8.370 nan 0.000 0.460 1151 L N 0.355 121.597 121.223 0.031 0.000 2.217 1151 L HA -0.018 4.321 4.340 -0.003 0.000 0.211 1151 L C 2.389 179.292 176.870 0.056 0.000 1.107 1151 L CA 0.341 55.204 54.840 0.038 0.000 0.783 1151 L CB -0.094 41.985 42.059 0.033 0.000 0.919 1151 L HN 0.024 nan 8.230 nan 0.000 0.442 1152 I N -0.158 120.442 120.570 0.049 0.000 2.233 1152 I HA -0.264 3.905 4.170 -0.003 0.000 0.243 1152 I C 2.015 178.234 176.117 0.171 0.000 1.093 1152 I CA 1.162 62.501 61.300 0.065 0.000 1.380 1152 I CB -0.319 37.669 38.000 -0.020 0.000 1.067 1152 I HN 0.207 nan 8.210 nan 0.000 0.413 1153 D N 1.133 121.621 120.400 0.147 0.000 2.182 1153 D HA -0.150 4.489 4.640 -0.003 0.000 0.201 1153 D C 2.145 178.535 176.300 0.151 0.000 0.986 1153 D CA 1.464 55.595 54.000 0.219 0.000 0.847 1153 D CB -0.524 40.351 40.800 0.126 0.000 0.942 1153 D HN 0.394 nan 8.370 nan 0.000 0.467 1154 G N 0.271 109.127 108.800 0.094 0.000 2.471 1154 G HA2 -0.164 3.795 3.960 -0.003 0.000 0.219 1154 G HA3 -0.164 3.795 3.960 -0.003 0.000 0.219 1154 G C 1.671 176.596 174.900 0.043 0.000 1.125 1154 G CA 0.128 45.258 45.100 0.051 0.000 0.775 1154 G HN 0.272 nan 8.290 nan 0.000 0.548 1155 L N -0.506 120.772 121.223 0.092 0.000 2.083 1155 L HA -0.040 4.298 4.340 -0.003 0.000 0.209 1155 L C 2.636 179.467 176.870 -0.065 0.000 1.083 1155 L CA 0.535 55.415 54.840 0.066 0.000 0.752 1155 L CB -0.360 41.798 42.059 0.164 0.000 0.899 1155 L HN 0.256 nan 8.230 nan 0.000 0.433 1156 L N -0.284 120.839 121.223 -0.166 0.000 2.095 1156 L HA -0.118 4.220 4.340 -0.003 0.000 0.204 1156 L C 1.973 178.712 176.870 -0.219 0.000 1.080 1156 L CA 1.726 56.346 54.840 -0.368 0.000 0.759 1156 L CB -0.629 41.039 42.059 -0.650 0.000 0.914 1156 L HN 0.118 nan 8.230 nan 0.000 0.439 1157 D N -0.478 119.850 120.400 -0.120 0.000 2.106 1157 D HA -0.208 4.430 4.640 -0.003 0.000 0.191 1157 D C 2.142 178.384 176.300 -0.096 0.000 0.997 1157 D CA 1.238 55.188 54.000 -0.083 0.000 0.834 1157 D CB -0.168 40.613 40.800 -0.033 0.000 0.956 1157 D HN 0.382 nan 8.370 nan 0.000 0.448 1158 Q N 0.187 119.945 119.800 -0.069 0.000 2.226 1158 Q HA -0.024 4.314 4.340 -0.003 0.000 0.204 1158 Q C 2.230 178.111 176.000 -0.198 0.000 0.975 1158 Q CA 0.622 56.398 55.803 -0.045 0.000 0.866 1158 Q CB -0.141 28.642 28.738 0.075 0.000 0.915 1158 Q HN 0.193 nan 8.270 nan 0.000 0.440 1159 S N 0.460 116.011 115.700 -0.248 0.000 2.387 1159 S HA -0.101 4.367 4.470 -0.003 0.000 0.226 1159 S C 1.846 176.175 174.600 -0.452 0.000 1.026 1159 S CA 0.915 58.886 58.200 -0.381 0.000 0.972 1159 S CB -0.050 62.938 63.200 -0.353 0.000 0.814 1159 S HN 0.349 nan 8.310 nan 0.000 0.477 1160 R N 1.869 122.162 120.500 -0.346 0.000 2.066 1160 R HA -0.064 4.274 4.340 -0.003 0.000 0.232 1160 R C 1.716 177.861 176.300 -0.259 0.000 1.131 1160 R CA 1.593 57.500 56.100 -0.321 0.000 0.955 1160 R CB -0.277 29.926 30.300 -0.161 0.000 0.851 1160 R HN 0.280 nan 8.270 nan 0.000 0.432 1161 N N 1.038 119.623 118.700 -0.193 0.000 2.120 1161 N HA -0.192 4.546 4.740 -0.003 0.000 0.188 1161 N C 1.726 177.106 175.510 -0.215 0.000 1.024 1161 N CA 1.071 54.041 53.050 -0.133 0.000 0.852 1161 N CB -0.410 38.041 38.487 -0.061 0.000 1.003 1161 N HN 0.199 nan 8.380 nan 0.000 0.424 1162 L N 1.215 122.178 121.223 -0.432 0.000 2.017 1162 L HA -0.009 4.330 4.340 -0.003 0.000 0.208 1162 L C 2.145 178.768 176.870 -0.413 0.000 1.073 1162 L CA 1.555 56.017 54.840 -0.630 0.000 0.745 1162 L CB -0.995 40.376 42.059 -1.148 0.000 0.894 1162 L HN 0.137 nan 8.230 nan 0.000 0.432 1163 A N -0.792 121.721 122.820 -0.511 0.000 1.902 1163 A HA -0.225 4.094 4.320 -0.003 0.000 0.217 1163 A C 1.997 179.539 177.584 -0.069 0.000 1.181 1163 A CA 1.900 53.601 52.037 -0.560 0.000 0.623 1163 A CB -0.868 17.439 19.000 -1.155 0.000 0.818 1163 A HN 0.544 nan 8.150 nan 0.000 0.443 1164 D N -0.604 119.785 120.400 -0.019 0.000 2.144 1164 D HA -0.121 4.517 4.640 -0.003 0.000 0.199 1164 D C 1.982 178.386 176.300 0.174 0.000 0.984 1164 D CA 1.456 55.546 54.000 0.150 0.000 0.834 1164 D CB -0.569 40.297 40.800 0.109 0.000 0.955 1164 D HN 0.247 nan 8.370 nan 0.000 0.465 1165 V N 0.421 120.401 119.914 0.111 0.000 2.515 1165 V HA -0.149 3.969 4.120 -0.003 0.000 0.250 1165 V C 2.060 178.330 176.094 0.293 0.000 1.058 1165 V CA 1.209 63.627 62.300 0.197 0.000 1.064 1165 V CB -0.168 31.732 31.823 0.129 0.000 0.675 1165 V HN 0.131 nan 8.190 nan 0.000 0.461 1166 L N 0.491 121.831 121.223 0.196 0.000 2.249 1166 L HA -0.021 4.317 4.340 -0.003 0.000 0.207 1166 L C 2.629 179.529 176.870 0.050 0.000 1.090 1166 L CA 1.395 56.312 54.840 0.129 0.000 0.802 1166 L CB -0.753 41.441 42.059 0.226 0.000 0.947 1166 L HN 0.390 nan 8.230 nan 0.000 0.453 1167 K N 1.560 122.188 120.400 0.381 0.000 2.173 1167 K HA -0.260 4.059 4.320 -0.003 0.000 0.207 1167 K C 2.000 178.719 176.600 0.199 0.000 1.046 1167 K CA 2.143 58.695 56.287 0.442 0.000 0.929 1167 K CB -1.021 31.823 32.500 0.574 0.000 0.720 1167 K HN 0.403 nan 8.250 nan 0.000 0.453 1168 F N 1.135 121.178 119.950 0.155 0.000 2.449 1168 F HA 0.049 4.574 4.527 -0.003 0.000 0.299 1168 F C 2.064 177.904 175.800 0.066 0.000 1.092 1168 F CA 0.446 58.479 58.000 0.054 0.000 1.446 1168 F CB -0.575 38.364 39.000 -0.101 0.000 1.084 1168 F HN 0.061 nan 8.300 nan 0.000 0.567 1169 A N 0.360 122.784 122.820 -0.661 0.000 2.015 1169 A HA -0.033 4.285 4.320 -0.003 0.000 0.219 1169 A C 1.917 179.340 177.584 -0.267 0.000 1.163 1169 A CA 1.195 52.912 52.037 -0.533 0.000 0.646 1169 A CB -1.426 17.145 19.000 -0.715 0.000 0.806 1169 A HN 0.492 nan 8.150 nan 0.000 0.448 1170 F N -0.222 119.656 119.950 -0.120 0.000 2.615 1170 F HA 0.018 4.544 4.527 -0.003 0.000 0.297 1170 F C 0.854 176.646 175.800 -0.014 0.000 1.124 1170 F CA 0.394 58.335 58.000 -0.099 0.000 1.451 1170 F CB 0.160 39.068 39.000 -0.153 0.000 1.103 1170 F HN 0.121 nan 8.300 nan 0.000 0.569 1171 D N 1.484 122.009 120.400 0.208 0.000 2.600 1171 D HA 0.034 4.672 4.640 -0.003 0.000 0.226 1171 D C 0.345 176.739 176.300 0.158 0.000 1.119 1171 D CA 0.202 54.304 54.000 0.171 0.000 1.051 1171 D CB -0.289 40.612 40.800 0.169 0.000 1.106 1171 D HN 0.169 nan 8.370 nan 0.000 0.491 1172 T N -0.897 113.728 114.554 0.117 0.000 2.883 1172 T HA 0.537 4.886 4.350 -0.003 0.000 0.284 1172 T C -1.582 173.142 174.700 0.040 0.000 1.041 1172 T CA -1.466 60.682 62.100 0.081 0.000 1.007 1172 T CB 1.296 70.153 68.868 -0.018 0.000 1.220 1172 T HN -0.195 nan 8.240 nan 0.000 0.552 1173 P HA -0.099 nan 4.420 nan 0.000 0.213 1173 P C 1.928 179.228 177.300 -0.000 0.000 1.170 1173 P CA 1.847 64.949 63.100 0.002 0.000 0.898 1173 P CB -0.118 31.570 31.700 -0.020 0.000 0.787 1174 S N -2.402 113.260 115.700 -0.063 0.000 2.377 1174 S HA 0.171 4.639 4.470 -0.003 0.000 0.223 1174 S C 1.817 176.460 174.600 0.073 0.000 1.030 1174 S CA 1.165 59.321 58.200 -0.073 0.000 0.970 1174 S CB -0.867 62.077 63.200 -0.427 0.000 0.830 1174 S HN 0.334 nan 8.310 nan 0.000 0.473 1175 G N 0.009 108.823 108.800 0.024 0.000 2.296 1175 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.188 1175 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.188 1175 G C -0.048 174.912 174.900 0.100 0.000 1.000 1175 G CA -0.194 44.974 45.100 0.113 0.000 0.672 1175 G HN 0.623 nan 8.290 nan 0.000 0.483 1176 V N 4.329 124.200 119.914 -0.072 0.000 2.470 1176 V HA 0.389 4.507 4.120 -0.003 0.000 0.276 1176 V C -0.821 175.151 176.094 -0.203 0.000 1.040 1176 V CA -0.725 61.486 62.300 -0.148 0.000 1.008 1176 V CB 1.114 32.737 31.823 -0.332 0.000 0.990 1176 V HN 0.317 nan 8.190 nan 0.000 0.477 1177 P HA 0.209 nan 4.420 nan 0.000 0.277 1177 P C -1.264 175.811 177.300 -0.376 0.000 1.271 1177 P CA -0.487 62.414 63.100 -0.331 0.000 0.795 1177 P CB 0.802 32.125 31.700 -0.628 0.000 1.101 1178 Y N -0.011 120.157 120.300 -0.221 0.000 2.328 1178 Y HA 0.181 4.729 4.550 -0.003 0.000 0.337 1178 Y C 1.839 177.631 175.900 -0.179 0.000 1.008 1178 Y CA 0.062 58.073 58.100 -0.148 0.000 1.129 1178 Y CB 0.831 39.244 38.460 -0.080 0.000 1.185 1178 Y HN 0.333 nan 8.280 nan 0.000 0.476 1179 N N 2.110 120.810 118.700 -0.001 0.000 2.354 1179 N HA -0.090 4.648 4.740 -0.003 0.000 0.179 1179 N C -0.839 174.694 175.510 0.038 0.000 1.021 1179 N CA 0.641 53.679 53.050 -0.019 0.000 0.887 1179 N CB 0.102 38.573 38.487 -0.026 0.000 0.974 1179 N HN 0.642 nan 8.380 nan 0.000 0.437 1180 N N 0.704 119.448 118.700 0.073 0.000 2.621 1180 N HA 0.301 5.040 4.740 -0.003 0.000 0.237 1180 N C -0.801 174.759 175.510 0.083 0.000 0.997 1180 N CA -0.497 52.600 53.050 0.078 0.000 0.918 1180 N CB 1.309 39.837 38.487 0.068 0.000 1.122 1180 N HN 0.249 nan 8.380 nan 0.000 0.510 1181 I N -1.831 118.800 120.570 0.101 0.000 3.133 1181 I HA 0.617 4.786 4.170 -0.003 0.000 0.311 1181 I C -0.661 175.583 176.117 0.211 0.000 1.072 1181 I CA -1.016 60.388 61.300 0.173 0.000 1.015 1181 I CB 2.084 40.200 38.000 0.194 0.000 1.233 1181 I HN 0.206 nan 8.210 nan 0.000 0.473 1182 N N 3.085 121.945 118.700 0.265 0.000 2.569 1182 N HA 0.308 5.046 4.740 -0.003 0.000 0.254 1182 N C 0.453 176.113 175.510 0.250 0.000 1.004 1182 N CA -0.665 52.492 53.050 0.178 0.000 0.904 1182 N CB 1.352 39.876 38.487 0.061 0.000 1.165 1182 N HN 0.875 nan 8.380 nan 0.000 0.513 1183 I N 0.958 121.726 120.570 0.329 0.000 3.164 1183 I HA -0.089 4.079 4.170 -0.003 0.000 0.278 1183 I C 1.063 177.262 176.117 0.135 0.000 1.320 1183 I CA 1.045 62.588 61.300 0.406 0.000 1.422 1183 I CB -0.366 37.889 38.000 0.425 0.000 1.066 1183 I HN 0.361 nan 8.210 nan 0.000 0.503 1184 T N -1.987 112.553 114.554 -0.024 0.000 3.046 1184 T HA 0.069 4.417 4.350 -0.003 0.000 0.242 1184 T C 1.874 176.317 174.700 -0.429 0.000 1.018 1184 T CA 0.661 62.666 62.100 -0.159 0.000 1.131 1184 T CB -0.361 68.468 68.868 -0.064 0.000 0.904 1184 T HN 0.493 nan 8.240 nan 0.000 0.459 1185 S N 0.804 116.289 115.700 -0.357 0.000 2.470 1185 S HA 0.076 4.545 4.470 -0.003 0.000 0.222 1185 S C 0.794 175.063 174.600 -0.552 0.000 1.024 1185 S CA 0.785 58.741 58.200 -0.408 0.000 0.931 1185 S CB -0.711 62.376 63.200 -0.189 0.000 0.791 1185 S HN 0.794 nan 8.310 nan 0.000 0.513 1186 H N -0.494 118.361 119.070 -0.357 0.000 3.151 1186 H HA -0.089 4.465 4.556 -0.003 0.000 0.230 1186 H C 0.684 175.881 175.328 -0.219 0.000 1.186 1186 H CA -0.134 55.488 56.048 -0.711 0.000 1.124 1186 H CB -1.751 27.533 29.762 -0.796 0.000 1.208 1186 H HN 0.633 nan 8.280 nan 0.000 0.318 1187 G N 0.245 109.026 108.800 -0.032 0.000 2.588 1187 G HA2 0.464 4.422 3.960 -0.003 0.000 0.281 1187 G HA3 0.464 4.422 3.960 -0.003 0.000 0.281 1187 G C 0.268 175.155 174.900 -0.022 0.000 1.236 1187 G CA 0.136 45.211 45.100 -0.042 0.000 0.969 1187 G HN 0.444 nan 8.290 nan 0.000 0.504 1188 N N -2.592 116.032 118.700 -0.126 0.000 3.278 1188 N HA 0.304 5.042 4.740 -0.003 0.000 0.307 1188 N C -0.114 175.347 175.510 -0.082 0.000 1.551 1188 N CA -0.289 52.676 53.050 -0.141 0.000 0.794 1188 N CB 0.895 39.107 38.487 -0.458 0.000 1.770 1188 N HN 0.336 nan 8.380 nan 0.000 0.612 1189 D N -1.914 118.469 120.400 -0.028 0.000 2.328 1189 D HA 0.163 4.801 4.640 -0.003 0.000 0.226 1189 D C 0.865 177.173 176.300 0.012 0.000 1.066 1189 D CA 0.367 54.370 54.000 0.005 0.000 0.861 1189 D CB -0.889 39.930 40.800 0.031 0.000 0.912 1189 D HN 1.033 nan 8.370 nan 0.000 0.521 1190 G N -0.117 108.681 108.800 -0.004 0.000 2.221 1190 G HA2 -0.114 3.844 3.960 -0.003 0.000 0.265 1190 G HA3 -0.114 3.844 3.960 -0.003 0.000 0.265 1190 G C 0.407 175.370 174.900 0.105 0.000 1.041 1190 G CA 0.084 45.208 45.100 0.038 0.000 0.807 1190 G HN 0.805 nan 8.290 nan 0.000 0.502 1191 A N -0.480 122.450 122.820 0.183 0.000 2.371 1191 A HA 0.766 5.085 4.320 -0.003 0.000 0.257 1191 A C 1.536 179.182 177.584 0.103 0.000 1.089 1191 A CA 1.010 53.122 52.037 0.124 0.000 0.794 1191 A CB 0.500 19.561 19.000 0.103 0.000 1.029 1191 A HN 1.320 nan 8.150 nan 0.000 0.488 1192 T N -1.259 113.300 114.554 0.010 0.000 3.044 1192 T HA 0.190 4.539 4.350 -0.003 0.000 0.255 1192 T C 0.824 175.453 174.700 -0.119 0.000 1.073 1192 T CA 0.991 63.067 62.100 -0.039 0.000 1.125 1192 T CB -0.467 68.381 68.868 -0.034 0.000 0.908 1192 T HN 1.055 nan 8.240 nan 0.000 0.480 1193 T N 0.021 114.503 114.554 -0.120 0.000 2.916 1193 T HA 0.678 5.027 4.350 -0.003 0.000 0.292 1193 T C -1.347 173.241 174.700 -0.186 0.000 1.064 1193 T CA -0.968 61.028 62.100 -0.174 0.000 1.011 1193 T CB 2.098 70.879 68.868 -0.144 0.000 1.152 1193 T HN 0.085 nan 8.240 nan 0.000 0.510 1194 N N -0.589 117.969 118.700 -0.236 0.000 2.258 1194 N HA 0.610 5.348 4.740 -0.003 0.000 0.299 1194 N C 0.179 175.550 175.510 -0.233 0.000 1.047 1194 N CA -0.256 52.658 53.050 -0.226 0.000 0.814 1194 N CB 1.855 40.181 38.487 -0.268 0.000 1.413 1194 N HN 1.083 nan 8.380 nan 0.000 0.478 1195 G N 1.848 110.528 108.800 -0.201 0.000 2.614 1195 G HA2 0.056 4.014 3.960 -0.003 0.000 0.239 1195 G HA3 0.056 4.014 3.960 -0.003 0.000 0.239 1195 G C 1.137 175.889 174.900 -0.247 0.000 1.240 1195 G CA -0.423 44.554 45.100 -0.205 0.000 0.842 1195 G HN 0.646 nan 8.290 nan 0.000 0.584 1196 L N 1.461 122.545 121.223 -0.232 0.000 1.970 1196 L HA -0.162 4.176 4.340 -0.003 0.000 0.212 1196 L C 3.067 179.782 176.870 -0.258 0.000 1.071 1196 L CA 2.319 56.990 54.840 -0.281 0.000 0.751 1196 L CB -0.601 41.323 42.059 -0.224 0.000 0.889 1196 L HN 0.644 nan 8.230 nan 0.000 0.432 1197 A N -0.479 122.201 122.820 -0.234 0.000 1.898 1197 A HA -0.165 4.154 4.320 -0.003 0.000 0.216 1197 A C 2.111 179.479 177.584 -0.360 0.000 1.181 1197 A CA 1.871 53.752 52.037 -0.261 0.000 0.620 1197 A CB -0.912 17.899 19.000 -0.315 0.000 0.819 1197 A HN 0.476 nan 8.150 nan 0.000 0.442 1198 V N -3.000 116.637 119.914 -0.460 0.000 2.759 1198 V HA -0.117 4.001 4.120 -0.003 0.000 0.256 1198 V C 1.999 178.010 176.094 -0.139 0.000 1.080 1198 V CA 2.453 64.505 62.300 -0.414 0.000 1.101 1198 V CB -1.474 30.134 31.823 -0.359 0.000 0.698 1198 V HN 0.400 nan 8.190 nan 0.000 0.477 1199 T N 0.976 115.436 114.554 -0.157 0.000 3.009 1199 T HA 0.190 4.539 4.350 -0.003 0.000 0.258 1199 T C 1.658 176.354 174.700 -0.007 0.000 1.063 1199 T CA 1.148 63.189 62.100 -0.098 0.000 1.139 1199 T CB -0.118 68.644 68.868 -0.176 0.000 0.890 1199 T HN 0.651 nan 8.240 nan 0.000 0.471 1200 G N 0.882 109.678 108.800 -0.007 0.000 3.233 1200 G HA2 0.152 4.110 3.960 -0.003 0.000 0.227 1200 G HA3 0.152 4.110 3.960 -0.003 0.000 0.227 1200 G C 0.517 175.492 174.900 0.126 0.000 1.175 1200 G CA 0.030 45.222 45.100 0.154 0.000 0.781 1200 G HN 0.423 nan 8.290 nan 0.000 0.542 1201 T N 0.898 115.484 114.554 0.052 0.000 3.448 1201 T HA 0.353 4.701 4.350 -0.003 0.000 0.271 1201 T C 1.066 175.867 174.700 0.169 0.000 1.002 1201 T CA -0.261 61.762 62.100 -0.129 0.000 0.995 1201 T CB 0.138 68.907 68.868 -0.165 0.000 1.153 1201 T HN 0.145 nan 8.240 nan 0.000 0.510 1202 L N -1.058 120.341 121.223 0.293 0.000 2.854 1202 L HA 0.338 4.677 4.340 -0.003 0.000 0.249 1202 L C 2.278 179.386 176.870 0.397 0.000 1.091 1202 L CA -0.010 55.044 54.840 0.357 0.000 0.935 1202 L CB -0.289 41.884 42.059 0.189 0.000 1.367 1202 L HN 0.186 nan 8.230 nan 0.000 0.524 1203 V N 1.057 121.160 119.914 0.315 0.000 2.546 1203 V HA -0.274 3.844 4.120 -0.003 0.000 0.254 1203 V C 2.239 178.397 176.094 0.107 0.000 1.076 1203 V CA 1.927 64.363 62.300 0.227 0.000 1.087 1203 V CB 0.049 32.008 31.823 0.226 0.000 0.674 1203 V HN 0.387 nan 8.190 nan 0.000 0.470 1204 L N 0.141 121.410 121.223 0.078 0.000 2.023 1204 L HA -0.088 4.250 4.340 -0.003 0.000 0.205 1204 L C 2.817 179.593 176.870 -0.157 0.000 1.073 1204 L CA 2.237 56.942 54.840 -0.225 0.000 0.745 1204 L CB -0.460 41.330 42.059 -0.448 0.000 0.900 1204 L HN 0.503 nan 8.230 nan 0.000 0.435 1205 E N -0.783 119.452 120.200 0.058 0.000 2.072 1205 E HA -0.240 4.109 4.350 -0.003 0.000 0.190 1205 E C 1.972 178.555 176.600 -0.028 0.000 0.982 1205 E CA 1.114 57.515 56.400 0.001 0.000 0.803 1205 E CB -0.847 28.884 29.700 0.053 0.000 0.755 1205 E HN 0.523 nan 8.360 nan 0.000 0.453 1206 W N 2.256 123.544 121.300 -0.020 0.000 2.358 1206 W HA -0.053 4.605 4.660 -0.003 0.000 0.303 1206 W C 2.559 179.084 176.519 0.009 0.000 1.208 1206 W CA 1.911 59.257 57.345 0.000 0.000 1.274 1206 W CB -0.821 28.677 29.460 0.065 0.000 1.138 1206 W HN 0.039 nan 8.180 nan 0.000 0.515 1207 T N -0.187 114.464 114.554 0.162 0.000 2.777 1207 T HA -0.202 4.147 4.350 -0.003 0.000 0.266 1207 T C 1.817 176.531 174.700 0.024 0.000 1.040 1207 T CA 1.598 63.758 62.100 0.100 0.000 1.141 1207 T CB -0.242 68.650 68.868 0.039 0.000 0.868 1207 T HN -0.117 nan 8.240 nan 0.000 0.444 1208 R N 1.180 121.602 120.500 -0.130 0.000 2.127 1208 R HA 0.006 4.344 4.340 -0.003 0.000 0.238 1208 R C 2.099 178.366 176.300 -0.055 0.000 1.134 1208 R CA 1.090 57.118 56.100 -0.120 0.000 0.975 1208 R CB -1.075 29.097 30.300 -0.213 0.000 0.865 1208 R HN 0.348 nan 8.270 nan 0.000 0.447 1209 L N -0.113 121.045 121.223 -0.109 0.000 2.093 1209 L HA 0.002 4.340 4.340 -0.003 0.000 0.208 1209 L C 1.911 178.784 176.870 0.005 0.000 1.085 1209 L CA 1.813 56.551 54.840 -0.170 0.000 0.755 1209 L CB -0.736 41.060 42.059 -0.438 0.000 0.904 1209 L HN 0.133 nan 8.230 nan 0.000 0.435 1210 S N -0.209 115.578 115.700 0.145 0.000 2.356 1210 S HA -0.174 4.295 4.470 -0.003 0.000 0.223 1210 S C 1.536 176.206 174.600 0.115 0.000 1.032 1210 S CA 1.410 59.733 58.200 0.206 0.000 1.005 1210 S CB -0.438 62.883 63.200 0.200 0.000 0.867 1210 S HN 0.536 nan 8.310 nan 0.000 0.449 1211 D N 1.169 121.636 120.400 0.111 0.000 2.218 1211 D HA -0.025 4.613 4.640 -0.003 0.000 0.204 1211 D C 1.661 178.002 176.300 0.069 0.000 0.976 1211 D CA 0.724 54.787 54.000 0.106 0.000 0.853 1211 D CB -0.177 40.726 40.800 0.172 0.000 0.939 1211 D HN 0.336 nan 8.370 nan 0.000 0.481 1212 L N 0.048 121.294 121.223 0.038 0.000 2.249 1212 L HA -0.006 4.332 4.340 -0.003 0.000 0.207 1212 L C 2.430 179.291 176.870 -0.015 0.000 1.090 1212 L CA 1.093 55.932 54.840 -0.002 0.000 0.802 1212 L CB -0.179 41.832 42.059 -0.081 0.000 0.947 1212 L HN 0.093 nan 8.230 nan 0.000 0.453 1213 T N -4.336 110.220 114.554 0.004 0.000 2.983 1213 T HA 0.192 4.540 4.350 -0.003 0.000 0.250 1213 T C 1.540 176.262 174.700 0.037 0.000 1.037 1213 T CA 0.788 62.899 62.100 0.019 0.000 1.142 1213 T CB 0.464 69.372 68.868 0.068 0.000 0.876 1213 T HN 0.350 nan 8.240 nan 0.000 0.455 1214 G N 1.107 109.937 108.800 0.050 0.000 2.184 1214 G HA2 -0.150 3.809 3.960 -0.003 0.000 0.206 1214 G HA3 -0.150 3.809 3.960 -0.003 0.000 0.206 1214 G C -0.276 174.638 174.900 0.023 0.000 0.995 1214 G CA 0.042 45.162 45.100 0.034 0.000 0.651 1214 G HN 0.701 nan 8.290 nan 0.000 0.511 1215 D N 0.970 121.390 120.400 0.033 0.000 2.396 1215 D HA 0.450 5.088 4.640 -0.003 0.000 0.225 1215 D C 1.288 177.540 176.300 -0.080 0.000 1.121 1215 D CA -0.549 53.426 54.000 -0.042 0.000 0.853 1215 D CB 0.765 41.526 40.800 -0.064 0.000 1.043 1215 D HN 0.111 nan 8.370 nan 0.000 0.500 1216 E N 2.423 122.582 120.200 -0.068 0.000 2.515 1216 E HA -0.151 4.198 4.350 -0.003 0.000 0.201 1216 E C 1.300 177.838 176.600 -0.103 0.000 1.071 1216 E CA 0.203 56.577 56.400 -0.044 0.000 0.880 1216 E CB 0.176 29.863 29.700 -0.021 0.000 0.828 1216 E HN 0.729 nan 8.360 nan 0.000 0.540 1217 E N -0.019 120.023 120.200 -0.262 0.000 2.118 1217 E HA -0.214 4.134 4.350 -0.003 0.000 0.195 1217 E C 1.211 177.696 176.600 -0.192 0.000 0.992 1217 E CA 0.970 57.201 56.400 -0.282 0.000 0.804 1217 E CB -0.023 29.440 29.700 -0.396 0.000 0.741 1217 E HN 0.254 nan 8.360 nan 0.000 0.458 1218 Y N 0.312 120.683 120.300 0.119 0.000 2.145 1218 Y HA -0.093 4.455 4.550 -0.003 0.000 0.286 1218 Y C 2.453 178.467 175.900 0.190 0.000 1.145 1218 Y CA 0.974 59.226 58.100 0.254 0.000 1.148 1218 Y CB -1.056 37.499 38.460 0.159 0.000 0.981 1218 Y HN 0.146 nan 8.280 nan 0.000 0.507 1219 A N 0.233 123.200 122.820 0.245 0.000 1.933 1219 A HA -0.201 4.118 4.320 -0.003 0.000 0.218 1219 A C 2.208 179.843 177.584 0.085 0.000 1.175 1219 A CA 1.794 53.935 52.037 0.174 0.000 0.628 1219 A CB -0.544 18.549 19.000 0.155 0.000 0.814 1219 A HN 0.431 nan 8.150 nan 0.000 0.444 1220 K N -0.475 119.941 120.400 0.026 0.000 2.025 1220 K HA 0.015 4.333 4.320 -0.003 0.000 0.207 1220 K C 1.899 178.437 176.600 -0.104 0.000 1.049 1220 K CA 1.310 57.583 56.287 -0.023 0.000 0.933 1220 K CB -0.361 32.118 32.500 -0.035 0.000 0.714 1220 K HN 0.447 nan 8.250 nan 0.000 0.438 1221 L N 1.055 122.157 121.223 -0.203 0.000 2.017 1221 L HA -0.219 4.119 4.340 -0.003 0.000 0.208 1221 L C 2.678 179.086 176.870 -0.771 0.000 1.073 1221 L CA 1.606 56.152 54.840 -0.491 0.000 0.745 1221 L CB -0.673 40.986 42.059 -0.667 0.000 0.894 1221 L HN 0.289 nan 8.230 nan 0.000 0.432 1222 S N -0.855 114.432 115.700 -0.687 0.000 2.383 1222 S HA -0.224 4.244 4.470 -0.003 0.000 0.227 1222 S C 1.860 176.391 174.600 -0.115 0.000 1.026 1222 S CA 0.858 58.764 58.200 -0.490 0.000 0.981 1222 S CB -0.414 62.670 63.200 -0.195 0.000 0.818 1222 S HN 0.465 nan 8.310 nan 0.000 0.472 1223 Q N 0.787 120.578 119.800 -0.014 0.000 2.224 1223 Q HA -0.001 4.338 4.340 -0.003 0.000 0.203 1223 Q C 2.103 178.134 176.000 0.053 0.000 0.970 1223 Q CA 1.281 57.151 55.803 0.110 0.000 0.865 1223 Q CB -0.180 28.664 28.738 0.176 0.000 0.922 1223 Q HN 0.537 nan 8.270 nan 0.000 0.445 1224 K N 1.184 121.574 120.400 -0.017 0.000 2.057 1224 K HA -0.084 4.234 4.320 -0.003 0.000 0.206 1224 K C 1.831 178.471 176.600 0.066 0.000 1.050 1224 K CA 1.395 57.674 56.287 -0.012 0.000 0.935 1224 K CB -0.369 32.126 32.500 -0.008 0.000 0.715 1224 K HN 0.142 nan 8.250 nan 0.000 0.439 1225 A N 0.509 123.385 122.820 0.093 0.000 1.902 1225 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 1225 A C 2.110 179.794 177.584 0.167 0.000 1.181 1225 A CA 1.924 54.074 52.037 0.188 0.000 0.623 1225 A CB -0.694 18.411 19.000 0.175 0.000 0.818 1225 A HN 0.513 nan 8.150 nan 0.000 0.443 1226 E N 0.690 120.956 120.200 0.111 0.000 2.204 1226 E HA -0.144 4.204 4.350 -0.003 0.000 0.195 1226 E C 2.082 178.709 176.600 0.045 0.000 0.990 1226 E CA 1.462 57.927 56.400 0.107 0.000 0.821 1226 E CB -0.285 29.517 29.700 0.170 0.000 0.750 1226 E HN 0.710 nan 8.360 nan 0.000 0.477 1227 S N -0.691 114.999 115.700 -0.016 0.000 2.370 1227 S HA -0.234 4.234 4.470 -0.003 0.000 0.226 1227 S C 1.800 176.298 174.600 -0.170 0.000 1.033 1227 S CA 1.236 59.351 58.200 -0.140 0.000 1.011 1227 S CB -0.851 62.181 63.200 -0.279 0.000 0.852 1227 S HN 0.440 nan 8.310 nan 0.000 0.457 1228 Y N 1.979 122.274 120.300 -0.008 0.000 2.497 1228 Y HA 0.212 4.761 4.550 -0.003 0.000 0.292 1228 Y C 2.097 178.041 175.900 0.073 0.000 1.137 1228 Y CA 0.552 58.653 58.100 0.002 0.000 1.285 1228 Y CB -0.477 37.936 38.460 -0.079 0.000 0.991 1228 Y HN 0.255 nan 8.280 nan 0.000 0.556 1229 L N -1.158 120.156 121.223 0.153 0.000 2.307 1229 L HA -0.037 4.301 4.340 -0.003 0.000 0.211 1229 L C 1.670 178.629 176.870 0.149 0.000 1.099 1229 L CA 0.568 55.487 54.840 0.132 0.000 0.816 1229 L CB -0.349 41.650 42.059 -0.099 0.000 0.952 1229 L HN 0.228 nan 8.230 nan 0.000 0.455 1230 L N -0.484 120.791 121.223 0.088 0.000 2.341 1230 L HA 0.003 4.342 4.340 -0.003 0.000 0.214 1230 L C 0.845 177.746 176.870 0.052 0.000 1.115 1230 L CA 0.855 55.725 54.840 0.051 0.000 0.820 1230 L CB -0.091 41.934 42.059 -0.057 0.000 0.944 1230 L HN 0.111 nan 8.230 nan 0.000 0.452 1231 K N 1.218 121.651 120.400 0.056 0.000 2.877 1231 K HA 0.266 4.585 4.320 -0.003 0.000 0.176 1231 K C -2.396 174.258 176.600 0.090 0.000 1.075 1231 K CA -1.592 54.724 56.287 0.049 0.000 0.939 1231 K CB 0.953 33.464 32.500 0.017 0.000 1.237 1231 K HN -0.090 nan 8.250 nan 0.000 0.607 1232 P HA -0.078 nan 4.420 nan 0.000 0.262 1232 P C -0.843 176.482 177.300 0.040 0.000 1.182 1232 P CA 0.403 63.530 63.100 0.044 0.000 0.761 1232 P CB 0.788 32.354 31.700 -0.223 0.000 0.795 1233 Q N 3.228 123.107 119.800 0.132 0.000 2.320 1233 Q HA 0.390 4.729 4.340 -0.003 0.000 0.272 1233 Q C -2.676 173.408 176.000 0.140 0.000 1.023 1233 Q CA -2.043 53.819 55.803 0.099 0.000 0.855 1233 Q CB 2.467 31.271 28.738 0.110 0.000 1.367 1233 Q HN 0.310 nan 8.270 nan 0.000 0.406 1234 P HA -0.038 nan 4.420 nan 0.000 0.273 1234 P C 0.456 177.740 177.300 -0.026 0.000 1.250 1234 P CA -0.089 63.021 63.100 0.017 0.000 0.793 1234 P CB 0.652 32.357 31.700 0.008 0.000 1.011 1235 S N -0.592 115.089 115.700 -0.032 0.000 2.423 1235 S HA -0.143 4.325 4.470 -0.003 0.000 0.231 1235 S C 1.671 176.221 174.600 -0.083 0.000 1.014 1235 S CA 1.430 59.596 58.200 -0.056 0.000 0.965 1235 S CB -1.614 61.563 63.200 -0.038 0.000 0.785 1235 S HN 0.505 nan 8.310 nan 0.000 0.495 1236 S N 0.992 116.649 115.700 -0.071 0.000 2.507 1236 S HA 0.071 4.540 4.470 -0.003 0.000 0.235 1236 S C 1.568 176.105 174.600 -0.106 0.000 0.988 1236 S CA 0.815 58.965 58.200 -0.084 0.000 0.944 1236 S CB -0.621 62.542 63.200 -0.061 0.000 0.762 1236 S HN 0.464 nan 8.310 nan 0.000 0.526 1237 S N 1.013 116.635 115.700 -0.128 0.000 2.575 1237 S HA 0.170 4.639 4.470 -0.003 0.000 0.215 1237 S C 0.536 174.956 174.600 -0.300 0.000 0.966 1237 S CA -0.144 57.939 58.200 -0.196 0.000 0.911 1237 S CB -0.041 63.035 63.200 -0.206 0.000 0.780 1237 S HN 0.733 nan 8.310 nan 0.000 0.514 1238 E N 1.436 121.501 120.200 -0.226 0.000 3.303 1238 E HA 0.223 4.572 4.350 -0.003 0.000 0.215 1238 E C -2.327 174.176 176.600 -0.163 0.000 1.181 1238 E CA -2.011 54.277 56.400 -0.187 0.000 0.998 1238 E CB 0.668 30.272 29.700 -0.160 0.000 1.312 1238 E HN 0.030 nan 8.360 nan 0.000 0.412 1239 P HA -0.093 nan 4.420 nan 0.000 0.217 1239 P C -0.539 176.305 177.300 -0.759 0.000 1.148 1239 P CA 1.316 64.142 63.100 -0.457 0.000 0.828 1239 P CB 0.091 31.547 31.700 -0.408 0.000 0.783 1240 F N -3.120 116.770 119.950 -0.101 0.000 2.599 1240 F HA 0.415 4.941 4.527 -0.003 0.000 0.311 1240 F C -2.349 173.436 175.800 -0.025 0.000 1.076 1240 F CA -3.192 54.745 58.000 -0.105 0.000 0.937 1240 F CB 1.321 40.224 39.000 -0.163 0.000 1.282 1240 F HN -0.470 nan 8.300 nan 0.000 0.460 1241 P HA 0.118 nan 4.420 nan 0.000 0.260 1241 P C 0.605 177.979 177.300 0.124 0.000 1.185 1241 P CA 1.344 64.517 63.100 0.120 0.000 0.763 1241 P CB 0.260 32.024 31.700 0.106 0.000 0.776 1242 G N 2.654 111.522 108.800 0.113 0.000 2.205 1242 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.261 1242 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.261 1242 G C -0.117 174.940 174.900 0.262 0.000 0.980 1242 G CA -0.327 44.866 45.100 0.155 0.000 0.632 1242 G HN 0.471 nan 8.290 nan 0.000 0.533 1243 L N 1.345 122.707 121.223 0.233 0.000 2.287 1243 L HA 0.698 5.036 4.340 -0.003 0.000 0.287 1243 L C 0.732 177.700 176.870 0.163 0.000 1.022 1243 L CA -1.153 53.870 54.840 0.306 0.000 0.814 1243 L CB 1.632 43.876 42.059 0.307 0.000 1.217 1243 L HN 0.232 nan 8.230 nan 0.000 0.420 1244 V N 0.061 120.060 119.914 0.142 0.000 3.166 1244 V HA 0.854 4.972 4.120 -0.003 0.000 0.317 1244 V C 0.598 176.633 176.094 -0.099 0.000 1.136 1244 V CA -0.677 61.510 62.300 -0.188 0.000 1.035 1244 V CB 1.316 32.813 31.823 -0.544 0.000 1.110 1244 V HN 0.677 nan 8.190 nan 0.000 0.450 1245 G N 0.303 108.948 108.800 -0.258 0.000 2.716 1245 G HA2 0.373 4.332 3.960 -0.003 0.000 0.251 1245 G HA3 0.373 4.332 3.960 -0.003 0.000 0.251 1245 G C 0.571 175.605 174.900 0.223 0.000 1.224 1245 G CA 0.210 45.351 45.100 0.069 0.000 0.891 1245 G HN 1.058 nan 8.290 nan 0.000 0.561 1246 S N -0.911 114.877 115.700 0.147 0.000 2.540 1246 S HA 0.331 4.800 4.470 -0.003 0.000 0.218 1246 S C 0.633 175.224 174.600 -0.015 0.000 0.977 1246 S CA -0.040 58.197 58.200 0.062 0.000 0.918 1246 S CB 0.383 63.607 63.200 0.040 0.000 0.806 1246 S HN 0.390 nan 8.310 nan 0.000 0.496 1247 S N 0.864 116.562 115.700 -0.003 0.000 2.541 1247 S HA 0.707 5.175 4.470 -0.003 0.000 0.280 1247 S C -1.329 173.104 174.600 -0.278 0.000 1.112 1247 S CA -0.566 57.555 58.200 -0.132 0.000 0.925 1247 S CB 1.167 64.317 63.200 -0.085 0.000 1.067 1247 S HN 0.125 nan 8.310 nan 0.000 0.479 1248 I N 2.764 123.090 120.570 -0.407 0.000 2.498 1248 I HA 0.340 4.509 4.170 -0.003 0.000 0.290 1248 I C -0.254 175.641 176.117 -0.371 0.000 1.032 1248 I CA -0.460 60.513 61.300 -0.545 0.000 1.073 1248 I CB 1.744 39.284 38.000 -0.767 0.000 1.251 1248 I HN 0.531 nan 8.210 nan 0.000 0.426 1249 N N 5.410 123.926 118.700 -0.306 0.000 2.440 1249 N HA 0.176 4.915 4.740 -0.003 0.000 0.265 1249 N C 1.097 176.419 175.510 -0.313 0.000 1.239 1249 N CA -0.050 52.852 53.050 -0.247 0.000 0.909 1249 N CB 0.862 39.241 38.487 -0.181 0.000 1.066 1249 N HN 0.587 nan 8.380 nan 0.000 0.474 1250 I N 1.627 122.012 120.570 -0.307 0.000 2.614 1250 I HA -0.205 3.963 4.170 -0.003 0.000 0.258 1250 I C 1.703 177.645 176.117 -0.292 0.000 1.189 1250 I CA 0.742 61.823 61.300 -0.365 0.000 1.462 1250 I CB -0.153 37.549 38.000 -0.496 0.000 1.092 1250 I HN 0.582 nan 8.210 nan 0.000 0.442 1251 N N 1.051 119.622 118.700 -0.215 0.000 2.135 1251 N HA -0.176 4.562 4.740 -0.003 0.000 0.186 1251 N C 1.174 176.593 175.510 -0.152 0.000 1.027 1251 N CA 1.728 54.691 53.050 -0.145 0.000 0.849 1251 N CB 0.129 38.559 38.487 -0.095 0.000 1.002 1251 N HN 0.444 nan 8.380 nan 0.000 0.425 1252 D N -3.223 117.066 120.400 -0.185 0.000 2.500 1252 D HA 0.241 4.879 4.640 -0.003 0.000 0.218 1252 D C 1.062 177.184 176.300 -0.297 0.000 1.140 1252 D CA 0.574 54.473 54.000 -0.169 0.000 0.830 1252 D CB -0.015 40.733 40.800 -0.086 0.000 1.055 1252 D HN 0.204 nan 8.370 nan 0.000 0.512 1253 G N 0.156 108.662 108.800 -0.489 0.000 2.176 1253 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.253 1253 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.253 1253 G C 0.127 174.813 174.900 -0.356 0.000 0.979 1253 G CA -0.009 44.608 45.100 -0.805 0.000 0.641 1253 G HN 0.362 nan 8.290 nan 0.000 0.530 1254 Q N -0.270 119.422 119.800 -0.180 0.000 2.340 1254 Q HA 0.531 4.869 4.340 -0.003 0.000 0.249 1254 Q C 0.226 176.182 176.000 -0.073 0.000 0.957 1254 Q CA -0.284 55.504 55.803 -0.024 0.000 0.882 1254 Q CB 0.740 29.478 28.738 -0.000 0.000 1.235 1254 Q HN 0.251 nan 8.270 nan 0.000 0.439 1255 F N 0.068 119.969 119.950 -0.083 0.000 2.444 1255 F HA 0.139 4.664 4.527 -0.003 0.000 0.331 1255 F C 1.082 176.832 175.800 -0.083 0.000 1.167 1255 F CA 0.225 58.168 58.000 -0.095 0.000 1.262 1255 F CB 0.636 39.586 39.000 -0.084 0.000 1.196 1255 F HN 0.666 nan 8.300 nan 0.000 0.583 1256 A N 0.721 123.581 122.820 0.068 0.000 2.431 1256 A HA 0.227 4.545 4.320 -0.003 0.000 0.239 1256 A C -0.198 177.401 177.584 0.026 0.000 1.230 1256 A CA 0.141 52.187 52.037 0.016 0.000 0.928 1256 A CB -0.448 18.527 19.000 -0.042 0.000 1.006 1256 A HN 0.742 nan 8.150 nan 0.000 0.520 1257 D N -2.075 118.363 120.400 0.064 0.000 2.615 1257 D HA 0.233 4.872 4.640 -0.003 0.000 0.267 1257 D C -0.280 176.038 176.300 0.031 0.000 1.236 1257 D CA 0.310 54.328 54.000 0.030 0.000 0.839 1257 D CB 0.848 41.657 40.800 0.016 0.000 1.380 1257 D HN 0.061 nan 8.370 nan 0.000 0.433 1258 S N -0.795 114.899 115.700 -0.010 0.000 2.663 1258 S HA 0.242 4.710 4.470 -0.003 0.000 0.243 1258 S C 0.344 174.938 174.600 -0.009 0.000 1.009 1258 S CA -0.717 57.465 58.200 -0.030 0.000 0.988 1258 S CB -0.104 63.057 63.200 -0.064 0.000 0.896 1258 S HN 0.333 nan 8.310 nan 0.000 0.502 1259 R N 1.335 121.842 120.500 0.011 0.000 2.370 1259 R HA 0.494 4.832 4.340 -0.003 0.000 0.309 1259 R C -0.896 175.470 176.300 0.111 0.000 1.059 1259 R CA -0.121 56.000 56.100 0.034 0.000 0.981 1259 R CB 0.843 31.155 30.300 0.021 0.000 0.972 1259 R HN 0.172 nan 8.270 nan 0.000 0.437 1260 V N 2.199 122.224 119.914 0.185 0.000 2.547 1260 V HA 0.609 4.727 4.120 -0.003 0.000 0.299 1260 V C -0.057 176.221 176.094 0.306 0.000 1.040 1260 V CA -0.318 62.147 62.300 0.275 0.000 0.913 1260 V CB 1.744 33.782 31.823 0.358 0.000 0.992 1260 V HN 0.919 nan 8.190 nan 0.000 0.449 1261 S N 2.789 118.706 115.700 0.361 0.000 2.633 1261 S HA 0.395 4.863 4.470 -0.003 0.000 0.271 1261 S C -1.836 173.064 174.600 0.500 0.000 1.112 1261 S CA -0.477 57.964 58.200 0.402 0.000 0.828 1261 S CB 0.904 64.264 63.200 0.267 0.000 1.086 1261 S HN 0.542 nan 8.310 nan 0.000 0.461 1262 W N 2.217 123.658 121.300 0.236 0.000 2.991 1262 W HA 0.465 5.123 4.660 -0.003 0.000 0.391 1262 W C 0.549 177.257 176.519 0.315 0.000 1.054 1262 W CA -0.443 57.098 57.345 0.326 0.000 1.856 1262 W CB -0.067 29.560 29.460 0.278 0.000 1.132 1262 W HN 0.505 nan 8.180 nan 0.000 0.601 1263 N N 0.011 118.932 118.700 0.369 0.000 2.366 1263 N HA 0.284 5.023 4.740 -0.003 0.000 0.277 1263 N C 0.720 176.327 175.510 0.161 0.000 1.275 1263 N CA 0.060 53.250 53.050 0.234 0.000 0.964 1263 N CB -0.228 38.342 38.487 0.138 0.000 1.167 1263 N HN -0.062 nan 8.380 nan 0.000 0.568 1264 G N -2.012 106.850 108.800 0.104 0.000 2.321 1264 G HA2 0.319 4.277 3.960 -0.003 0.000 0.237 1264 G HA3 0.319 4.277 3.960 -0.003 0.000 0.237 1264 G C 1.009 175.916 174.900 0.012 0.000 1.282 1264 G CA 0.459 45.588 45.100 0.049 0.000 0.886 1264 G HN 0.799 nan 8.290 nan 0.000 0.528 1265 G N 1.979 110.746 108.800 -0.055 0.000 2.308 1265 G HA2 -0.269 3.689 3.960 -0.003 0.000 0.221 1265 G HA3 -0.269 3.689 3.960 -0.003 0.000 0.221 1265 G C 0.754 175.600 174.900 -0.090 0.000 1.032 1265 G CA 0.921 45.966 45.100 -0.091 0.000 0.623 1265 G HN 0.672 nan 8.290 nan 0.000 0.506 1266 D N 0.807 121.201 120.400 -0.010 0.000 2.856 1266 D HA 0.206 4.844 4.640 -0.003 0.000 0.283 1266 D C 1.962 178.279 176.300 0.029 0.000 1.051 1266 D CA 0.844 54.865 54.000 0.034 0.000 0.965 1266 D CB -0.218 40.690 40.800 0.180 0.000 1.201 1266 D HN 0.401 nan 8.370 nan 0.000 0.474 1267 D N 1.747 122.190 120.400 0.072 0.000 2.893 1267 D HA -0.356 4.282 4.640 -0.003 0.000 0.426 1267 D C 1.668 177.794 176.300 -0.290 0.000 1.026 1267 D CA 3.023 56.995 54.000 -0.047 0.000 1.274 1267 D CB -1.366 39.337 40.800 -0.162 0.000 1.089 1267 D HN 0.285 nan 8.370 nan 0.000 0.470 1268 S N -0.922 114.562 115.700 -0.360 0.000 2.493 1268 S HA -0.160 4.309 4.470 -0.003 0.000 0.243 1268 S C 1.836 176.289 174.600 -0.245 0.000 0.991 1268 S CA 0.980 58.964 58.200 -0.361 0.000 0.957 1268 S CB -0.981 62.027 63.200 -0.319 0.000 0.756 1268 S HN 0.448 nan 8.310 nan 0.000 0.521 1269 F N 2.506 122.266 119.950 -0.316 0.000 2.075 1269 F HA -0.067 4.458 4.527 -0.003 0.000 0.297 1269 F C 1.938 177.594 175.800 -0.240 0.000 1.113 1269 F CA 0.904 58.707 58.000 -0.327 0.000 1.218 1269 F CB -0.965 37.733 39.000 -0.505 0.000 0.984 1269 F HN 0.159 nan 8.300 nan 0.000 0.472 1270 Y N 0.664 120.639 120.300 -0.543 0.000 2.274 1270 Y HA -0.184 4.364 4.550 -0.003 0.000 0.290 1270 Y C 2.695 178.542 175.900 -0.088 0.000 1.145 1270 Y CA 1.584 59.359 58.100 -0.542 0.000 1.203 1270 Y CB -0.879 37.142 38.460 -0.731 0.000 0.984 1270 Y HN 0.272 nan 8.280 nan 0.000 0.533 1271 E N -0.251 120.046 120.200 0.161 0.000 2.085 1271 E HA -0.251 4.097 4.350 -0.003 0.000 0.194 1271 E C 1.514 178.303 176.600 0.315 0.000 0.994 1271 E CA 1.467 58.062 56.400 0.325 0.000 0.801 1271 E CB -0.280 29.544 29.700 0.207 0.000 0.743 1271 E HN 0.491 nan 8.360 nan 0.000 0.453 1272 Y N 0.030 120.319 120.300 -0.018 0.000 2.439 1272 Y HA -0.086 4.462 4.550 -0.003 0.000 0.292 1272 Y C 2.015 177.921 175.900 0.010 0.000 1.130 1272 Y CA 0.197 58.297 58.100 0.000 0.000 1.254 1272 Y CB -0.235 38.242 38.460 0.029 0.000 1.000 1272 Y HN 0.133 nan 8.280 nan 0.000 0.554 1273 L N -0.416 120.866 121.223 0.098 0.000 1.971 1273 L HA -0.248 4.090 4.340 -0.003 0.000 0.215 1273 L C 2.394 179.336 176.870 0.120 0.000 1.072 1273 L CA 1.552 56.476 54.840 0.140 0.000 0.758 1273 L CB -1.388 40.728 42.059 0.096 0.000 0.889 1273 L HN 0.189 nan 8.230 nan 0.000 0.433 1274 I N -0.726 119.771 120.570 -0.122 0.000 2.252 1274 I HA -0.240 3.928 4.170 -0.003 0.000 0.245 1274 I C 2.379 178.439 176.117 -0.096 0.000 1.102 1274 I CA 1.470 62.578 61.300 -0.319 0.000 1.385 1274 I CB -0.371 36.999 38.000 -1.050 0.000 1.064 1274 I HN 0.197 nan 8.210 nan 0.000 0.414 1275 K N -0.572 119.779 120.400 -0.081 0.000 2.152 1275 K HA -0.160 4.158 4.320 -0.003 0.000 0.206 1275 K C 1.946 178.495 176.600 -0.084 0.000 1.048 1275 K CA 1.299 57.548 56.287 -0.064 0.000 0.933 1275 K CB -0.216 32.216 32.500 -0.113 0.000 0.721 1275 K HN 0.277 nan 8.250 nan 0.000 0.447 1276 M N -0.544 118.980 119.600 -0.127 0.000 2.319 1276 M HA -0.127 4.351 4.480 -0.003 0.000 0.265 1276 M C 1.932 178.197 176.300 -0.058 0.000 1.068 1276 M CA 1.330 56.439 55.300 -0.317 0.000 1.118 1276 M CB -0.685 31.523 32.600 -0.653 0.000 1.395 1276 M HN 0.134 nan 8.290 nan 0.000 0.435 1277 Y N 0.654 120.944 120.300 -0.017 0.000 2.200 1277 Y HA -0.127 4.421 4.550 -0.003 0.000 0.290 1277 Y C 2.168 178.099 175.900 0.053 0.000 1.137 1277 Y CA 1.281 59.428 58.100 0.079 0.000 1.163 1277 Y CB -0.360 38.130 38.460 0.050 0.000 0.988 1277 Y HN -0.061 nan 8.280 nan 0.000 0.518 1278 V N -0.239 119.672 119.914 -0.004 0.000 2.515 1278 V HA -0.276 3.842 4.120 -0.003 0.000 0.250 1278 V C 2.013 178.069 176.094 -0.064 0.000 1.058 1278 V CA 1.989 64.243 62.300 -0.077 0.000 1.064 1278 V CB -1.073 30.767 31.823 0.027 0.000 0.675 1278 V HN 0.555 nan 8.190 nan 0.000 0.461 1279 Y N 0.994 121.228 120.300 -0.111 0.000 2.145 1279 Y HA -0.102 4.447 4.550 -0.003 0.000 0.286 1279 Y C 1.180 177.060 175.900 -0.032 0.000 1.145 1279 Y CA 1.870 59.913 58.100 -0.096 0.000 1.148 1279 Y CB 0.359 38.719 38.460 -0.167 0.000 0.981 1279 Y HN 0.306 nan 8.280 nan 0.000 0.507 1280 D N -0.749 119.628 120.400 -0.038 0.000 2.337 1280 D HA 0.157 4.795 4.640 -0.003 0.000 0.238 1280 D C -2.318 173.979 176.300 -0.005 0.000 1.331 1280 D CA -1.623 52.332 54.000 -0.076 0.000 0.967 1280 D CB 1.268 42.088 40.800 0.034 0.000 1.382 1280 D HN 0.032 nan 8.370 nan 0.000 0.549 1281 P HA -0.175 nan 4.420 nan 0.000 0.221 1281 P C 1.323 178.579 177.300 -0.073 0.000 1.145 1281 P CA 0.715 63.574 63.100 -0.403 0.000 0.795 1281 P CB 0.799 32.066 31.700 -0.721 0.000 0.775 1282 K N 0.771 121.104 120.400 -0.111 0.000 1.965 1282 K HA -0.118 4.200 4.320 -0.003 0.000 0.214 1282 K C 2.415 178.927 176.600 -0.147 0.000 1.046 1282 K CA 1.237 57.467 56.287 -0.096 0.000 0.944 1282 K CB -0.264 32.164 32.500 -0.120 0.000 0.726 1282 K HN -0.118 nan 8.250 nan 0.000 0.441 1283 R N -0.777 119.531 120.500 -0.319 0.000 2.152 1283 R HA -0.080 4.259 4.340 -0.003 0.000 0.232 1283 R C 0.713 176.490 176.300 -0.871 0.000 1.117 1283 R CA 1.176 56.869 56.100 -0.677 0.000 0.981 1283 R CB -0.015 29.618 30.300 -1.111 0.000 0.870 1283 R HN 0.225 nan 8.270 nan 0.000 0.451 1284 F N -0.453 119.490 119.950 -0.012 0.000 2.908 1284 F HA 0.221 4.746 4.527 -0.003 0.000 0.328 1284 F C 1.385 177.332 175.800 0.244 0.000 1.211 1284 F CA -0.532 57.456 58.000 -0.019 0.000 1.291 1284 F CB 0.269 39.058 39.000 -0.350 0.000 0.962 1284 F HN -0.044 nan 8.300 nan 0.000 0.505 1285 E N 0.339 120.734 120.200 0.324 0.000 2.153 1285 E HA -0.155 4.194 4.350 -0.003 0.000 0.194 1285 E C 1.528 178.276 176.600 0.246 0.000 0.988 1285 E CA 1.700 58.290 56.400 0.317 0.000 0.811 1285 E CB 0.225 30.055 29.700 0.217 0.000 0.746 1285 E HN 0.346 nan 8.360 nan 0.000 0.466 1286 T N 0.047 114.778 114.554 0.295 0.000 2.821 1286 T HA -0.138 4.211 4.350 -0.003 0.000 0.267 1286 T C 1.213 176.116 174.700 0.339 0.000 1.046 1286 T CA 1.099 63.366 62.100 0.278 0.000 1.139 1286 T CB -0.328 68.700 68.868 0.267 0.000 0.871 1286 T HN 0.268 nan 8.240 nan 0.000 0.454 1287 Y N 1.774 122.203 120.300 0.216 0.000 2.145 1287 Y HA -0.034 4.514 4.550 -0.003 0.000 0.286 1287 Y C 2.532 178.524 175.900 0.154 0.000 1.145 1287 Y CA 0.490 58.711 58.100 0.201 0.000 1.148 1287 Y CB -0.435 38.169 38.460 0.240 0.000 0.981 1287 Y HN 0.012 nan 8.280 nan 0.000 0.507 1288 K N 0.685 121.253 120.400 0.280 0.000 2.063 1288 K HA -0.212 4.107 4.320 -0.003 0.000 0.208 1288 K C 1.209 177.870 176.600 0.101 0.000 1.048 1288 K CA 2.010 58.311 56.287 0.023 0.000 0.928 1288 K CB -0.395 31.788 32.500 -0.527 0.000 0.713 1288 K HN 0.295 nan 8.250 nan 0.000 0.442 1289 D N 0.297 120.761 120.400 0.108 0.000 2.144 1289 D HA -0.101 4.537 4.640 -0.003 0.000 0.200 1289 D C 2.032 178.411 176.300 0.131 0.000 0.978 1289 D CA 0.660 54.726 54.000 0.110 0.000 0.833 1289 D CB 0.023 40.880 40.800 0.095 0.000 0.961 1289 D HN 0.136 nan 8.370 nan 0.000 0.470 1290 R N -0.427 120.160 120.500 0.145 0.000 2.148 1290 R HA -0.083 4.255 4.340 -0.003 0.000 0.223 1290 R C 2.049 178.433 176.300 0.140 0.000 1.088 1290 R CA 0.300 56.476 56.100 0.127 0.000 0.985 1290 R CB -0.843 29.520 30.300 0.105 0.000 0.880 1290 R HN 0.369 nan 8.270 nan 0.000 0.451 1291 W N 0.916 122.211 121.300 -0.009 0.000 2.418 1291 W HA -0.105 4.553 4.660 -0.003 0.000 0.292 1291 W C 1.772 178.242 176.519 -0.082 0.000 1.213 1291 W CA 0.722 58.036 57.345 -0.052 0.000 1.283 1291 W CB -0.100 29.310 29.460 -0.084 0.000 1.119 1291 W HN -0.241 nan 8.180 nan 0.000 0.542 1292 V N 1.513 121.519 119.914 0.153 0.000 2.287 1292 V HA -0.354 3.764 4.120 -0.003 0.000 0.248 1292 V C 2.338 178.361 176.094 -0.118 0.000 1.053 1292 V CA 2.188 64.502 62.300 0.023 0.000 1.027 1292 V CB -1.052 30.907 31.823 0.226 0.000 0.646 1292 V HN 0.238 nan 8.190 nan 0.000 0.447 1293 L N -0.081 121.124 121.223 -0.030 0.000 2.017 1293 L HA -0.169 4.170 4.340 -0.003 0.000 0.208 1293 L C 2.738 179.561 176.870 -0.078 0.000 1.073 1293 L CA 1.655 56.488 54.840 -0.012 0.000 0.745 1293 L CB -0.886 41.199 42.059 0.043 0.000 0.894 1293 L HN 0.360 nan 8.230 nan 0.000 0.432 1294 A N 0.100 122.837 122.820 -0.138 0.000 1.902 1294 A HA -0.188 4.131 4.320 -0.003 0.000 0.217 1294 A C 2.554 179.961 177.584 -0.296 0.000 1.181 1294 A CA 1.835 53.788 52.037 -0.141 0.000 0.623 1294 A CB -0.768 18.176 19.000 -0.094 0.000 0.818 1294 A HN 0.406 nan 8.150 nan 0.000 0.443 1295 A N -0.146 122.221 122.820 -0.756 0.000 1.883 1295 A HA -0.204 4.115 4.320 -0.003 0.000 0.217 1295 A C 1.935 179.337 177.584 -0.302 0.000 1.186 1295 A CA 1.756 53.260 52.037 -0.888 0.000 0.624 1295 A CB -0.596 17.164 19.000 -2.067 0.000 0.822 1295 A HN 0.647 nan 8.150 nan 0.000 0.444 1296 E N -0.201 119.892 120.200 -0.179 0.000 2.072 1296 E HA -0.104 4.244 4.350 -0.003 0.000 0.191 1296 E C 2.281 178.813 176.600 -0.113 0.000 0.985 1296 E CA 1.291 57.675 56.400 -0.028 0.000 0.801 1296 E CB -0.159 29.574 29.700 0.056 0.000 0.750 1296 E HN 0.569 nan 8.360 nan 0.000 0.452 1297 S N 0.309 115.965 115.700 -0.074 0.000 2.402 1297 S HA -0.104 4.364 4.470 -0.003 0.000 0.229 1297 S C 2.080 176.600 174.600 -0.133 0.000 1.021 1297 S CA 1.210 59.383 58.200 -0.044 0.000 0.974 1297 S CB -0.197 63.054 63.200 0.084 0.000 0.800 1297 S HN 0.271 nan 8.310 nan 0.000 0.484 1298 T N 2.526 117.006 114.554 -0.123 0.000 2.777 1298 T HA 0.073 4.421 4.350 -0.003 0.000 0.266 1298 T C 1.710 176.190 174.700 -0.366 0.000 1.040 1298 T CA 0.926 62.924 62.100 -0.170 0.000 1.141 1298 T CB -0.325 68.472 68.868 -0.118 0.000 0.868 1298 T HN 0.318 nan 8.240 nan 0.000 0.444 1299 I N 0.683 120.922 120.570 -0.552 0.000 2.315 1299 I HA -0.123 4.045 4.170 -0.003 0.000 0.248 1299 I C 2.577 178.369 176.117 -0.542 0.000 1.117 1299 I CA 1.198 61.957 61.300 -0.903 0.000 1.404 1299 I CB -0.219 37.223 38.000 -0.929 0.000 1.071 1299 I HN 0.157 nan 8.210 nan 0.000 0.419 1300 K N -0.153 119.965 120.400 -0.471 0.000 2.228 1300 K HA -0.117 4.201 4.320 -0.003 0.000 0.202 1300 K C 1.572 177.704 176.600 -0.780 0.000 1.051 1300 K CA 1.405 57.343 56.287 -0.582 0.000 0.960 1300 K CB 0.144 32.269 32.500 -0.625 0.000 0.743 1300 K HN 0.440 nan 8.250 nan 0.000 0.458 1301 H N -1.452 117.378 119.070 -0.399 0.000 2.735 1301 H HA 0.184 4.739 4.556 -0.003 0.000 0.250 1301 H C 1.491 176.685 175.328 -0.224 0.000 0.948 1301 H CA 0.035 55.825 56.048 -0.430 0.000 1.137 1301 H CB 0.508 29.697 29.762 -0.954 0.000 1.440 1301 H HN -0.060 nan 8.280 nan 0.000 0.444 1302 L N 0.923 122.115 121.223 -0.051 0.000 2.341 1302 L HA 0.031 4.369 4.340 -0.003 0.000 0.214 1302 L C 0.993 177.860 176.870 -0.006 0.000 1.115 1302 L CA 0.322 55.192 54.840 0.050 0.000 0.820 1302 L CB -0.119 41.949 42.059 0.016 0.000 0.944 1302 L HN 0.121 nan 8.230 nan 0.000 0.452 1303 K N 1.294 121.638 120.400 -0.093 0.000 2.524 1303 K HA 0.005 4.323 4.320 -0.003 0.000 0.279 1303 K C -0.280 176.205 176.600 -0.191 0.000 0.993 1303 K CA 0.352 56.576 56.287 -0.105 0.000 1.030 1303 K CB 0.528 32.956 32.500 -0.119 0.000 0.891 1303 K HN -0.046 nan 8.250 nan 0.000 0.488 1304 S N 2.897 118.438 115.700 -0.264 0.000 2.546 1304 S HA 0.310 4.778 4.470 -0.003 0.000 0.272 1304 S C -1.987 172.364 174.600 -0.415 0.000 1.140 1304 S CA -0.826 57.261 58.200 -0.188 0.000 0.920 1304 S CB 0.667 64.038 63.200 0.286 0.000 1.083 1304 S HN 0.728 nan 8.310 nan 0.000 0.476 1305 H N 2.715 121.752 119.070 -0.056 0.000 2.539 1305 H HA 0.433 4.987 4.556 -0.003 0.000 0.332 1305 H C -2.544 172.780 175.328 -0.007 0.000 1.031 1305 H CA -1.765 54.200 56.048 -0.138 0.000 1.206 1305 H CB 1.308 31.011 29.762 -0.098 0.000 1.446 1305 H HN 0.336 nan 8.280 nan 0.000 0.496 1306 P HA -0.035 nan 4.420 nan 0.000 0.268 1306 P C 0.848 178.300 177.300 0.254 0.000 1.204 1306 P CA -0.307 62.970 63.100 0.294 0.000 0.768 1306 P CB 1.167 33.048 31.700 0.302 0.000 0.842 1307 K N 2.389 122.995 120.400 0.343 0.000 2.074 1307 K HA -0.195 4.123 4.320 -0.003 0.000 0.209 1307 K C 1.688 178.390 176.600 0.170 0.000 1.048 1307 K CA 2.255 58.691 56.287 0.249 0.000 0.926 1307 K CB -0.302 32.366 32.500 0.280 0.000 0.713 1307 K HN 0.530 nan 8.250 nan 0.000 0.444 1308 S N -0.415 115.387 115.700 0.170 0.000 2.428 1308 S HA 0.025 4.493 4.470 -0.003 0.000 0.230 1308 S C 0.860 175.396 174.600 -0.107 0.000 1.014 1308 S CA 0.168 58.339 58.200 -0.049 0.000 0.957 1308 S CB 0.161 63.114 63.200 -0.412 0.000 0.784 1308 S HN 0.150 nan 8.310 nan 0.000 0.499 1309 R N 1.318 121.768 120.500 -0.083 0.000 2.629 1309 R HA 0.365 4.704 4.340 -0.003 0.000 0.277 1309 R C -2.665 173.578 176.300 -0.095 0.000 1.637 1309 R CA -2.053 53.984 56.100 -0.106 0.000 1.663 1309 R CB 0.597 30.816 30.300 -0.135 0.000 1.228 1309 R HN 0.247 nan 8.270 nan 0.000 0.632 1310 P HA -0.142 nan 4.420 nan 0.000 0.221 1310 P C 0.531 177.683 177.300 -0.248 0.000 1.145 1310 P CA 1.151 64.166 63.100 -0.142 0.000 0.795 1310 P CB 0.308 31.933 31.700 -0.125 0.000 0.775 1311 D N -1.759 118.527 120.400 -0.191 0.000 2.340 1311 D HA -0.015 4.623 4.640 -0.003 0.000 0.220 1311 D C 0.443 176.625 176.300 -0.197 0.000 1.039 1311 D CA 0.303 54.188 54.000 -0.193 0.000 0.866 1311 D CB -0.473 40.242 40.800 -0.141 0.000 0.913 1311 D HN 0.187 nan 8.370 nan 0.000 0.523 1312 L N 0.081 121.166 121.223 -0.229 0.000 2.334 1312 L HA 0.471 4.809 4.340 -0.003 0.000 0.275 1312 L C -0.113 176.499 176.870 -0.430 0.000 1.036 1312 L CA -0.496 54.114 54.840 -0.383 0.000 0.807 1312 L CB 2.062 43.820 42.059 -0.502 0.000 1.231 1312 L HN -0.225 nan 8.230 nan 0.000 0.438 1313 T N 1.786 115.951 114.554 -0.649 0.000 2.861 1313 T HA 0.692 5.041 4.350 -0.003 0.000 0.287 1313 T C -0.818 173.339 174.700 -0.905 0.000 1.003 1313 T CA -0.356 61.358 62.100 -0.643 0.000 0.977 1313 T CB 1.228 69.829 68.868 -0.444 0.000 0.996 1313 T HN 0.208 nan 8.240 nan 0.000 0.448 1314 F N 0.640 120.310 119.950 -0.466 0.000 2.675 1314 F HA 0.641 5.167 4.527 -0.003 0.000 0.324 1314 F C -0.643 175.000 175.800 -0.262 0.000 1.106 1314 F CA -1.497 56.246 58.000 -0.429 0.000 0.970 1314 F CB 1.511 39.996 39.000 -0.857 0.000 1.385 1314 F HN 0.142 nan 8.300 nan 0.000 0.489 1315 L N 1.296 122.601 121.223 0.137 0.000 2.325 1315 L HA 0.593 4.931 4.340 -0.003 0.000 0.278 1315 L C -0.182 176.909 176.870 0.368 0.000 1.023 1315 L CA -0.567 54.343 54.840 0.117 0.000 0.811 1315 L CB 2.009 44.033 42.059 -0.058 0.000 1.249 1315 L HN 0.770 nan 8.230 nan 0.000 0.431 1316 S N 0.727 116.644 115.700 0.362 0.000 2.766 1316 S HA 0.616 5.084 4.470 -0.003 0.000 0.307 1316 S C -0.319 174.466 174.600 0.308 0.000 1.121 1316 S CA -0.721 57.711 58.200 0.386 0.000 0.980 1316 S CB 1.944 65.399 63.200 0.426 0.000 1.159 1316 S HN 0.472 nan 8.310 nan 0.000 0.546 1317 S N -0.217 115.636 115.700 0.254 0.000 2.638 1317 S HA 0.667 5.136 4.470 -0.003 0.000 0.298 1317 S C -1.759 173.010 174.600 0.282 0.000 1.111 1317 S CA -0.495 57.850 58.200 0.243 0.000 1.027 1317 S CB 0.771 64.049 63.200 0.130 0.000 1.064 1317 S HN 0.652 nan 8.310 nan 0.000 0.525 1318 Y N 1.136 121.479 120.300 0.073 0.000 2.421 1318 Y HA 0.569 5.117 4.550 -0.003 0.000 0.339 1318 Y C -0.686 175.169 175.900 -0.075 0.000 0.996 1318 Y CA -0.414 57.636 58.100 -0.083 0.000 1.046 1318 Y CB 1.691 40.124 38.460 -0.046 0.000 1.226 1318 Y HN 0.509 nan 8.280 nan 0.000 0.445 1319 S N 6.248 121.507 115.700 -0.734 0.000 2.775 1319 S HA 0.345 4.813 4.470 -0.003 0.000 0.277 1319 S C -1.336 172.853 174.600 -0.686 0.000 1.156 1319 S CA -0.701 57.169 58.200 -0.549 0.000 1.081 1319 S CB -0.080 62.964 63.200 -0.260 0.000 1.054 1319 S HN 0.857 nan 8.310 nan 0.000 0.482 1320 N N 3.845 122.159 118.700 -0.644 0.000 2.686 1320 N HA -0.189 4.549 4.740 -0.003 0.000 0.261 1320 N C 0.372 175.605 175.510 -0.462 0.000 1.001 1320 N CA 1.293 54.084 53.050 -0.431 0.000 0.764 1320 N CB -0.870 37.474 38.487 -0.237 0.000 0.898 1320 N HN 0.947 nan 8.380 nan 0.000 0.544 1321 R N -3.915 116.145 120.500 -0.735 0.000 3.653 1321 R HA -0.248 4.091 4.340 -0.003 0.000 0.485 1321 R C 0.038 176.179 176.300 -0.264 0.000 0.840 1321 R CA 1.583 57.526 56.100 -0.263 0.000 1.409 1321 R CB -1.350 28.926 30.300 -0.039 0.000 2.089 1321 R HN 0.552 nan 8.270 nan 0.000 0.482 1322 N N 0.383 118.802 118.700 -0.468 0.000 2.430 1322 N HA 0.296 5.034 4.740 -0.003 0.000 0.292 1322 N C -1.275 174.076 175.510 -0.265 0.000 1.051 1322 N CA -0.382 52.536 53.050 -0.221 0.000 0.917 1322 N CB 0.626 39.022 38.487 -0.152 0.000 1.164 1322 N HN 0.101 nan 8.380 nan 0.000 0.484 1323 Y N 1.207 121.562 120.300 0.092 0.000 2.353 1323 Y HA 0.203 4.751 4.550 -0.003 0.000 0.340 1323 Y C -0.129 175.795 175.900 0.040 0.000 0.972 1323 Y CA -0.774 57.412 58.100 0.143 0.000 1.157 1323 Y CB 1.078 39.659 38.460 0.201 0.000 1.157 1323 Y HN 0.501 nan 8.280 nan 0.000 0.495 1324 D N 4.400 124.877 120.400 0.129 0.000 2.347 1324 D HA 0.139 4.777 4.640 -0.003 0.000 0.235 1324 D C -0.762 175.457 176.300 -0.135 0.000 1.149 1324 D CA -0.351 53.640 54.000 -0.016 0.000 0.850 1324 D CB 0.907 41.685 40.800 -0.038 0.000 1.061 1324 D HN 0.318 nan 8.370 nan 0.000 0.487 1325 L N 4.196 125.216 121.223 -0.338 0.000 2.423 1325 L HA 0.239 4.577 4.340 -0.003 0.000 0.249 1325 L C 0.271 176.163 176.870 -1.630 0.000 1.276 1325 L CA -0.237 54.012 54.840 -0.985 0.000 1.199 1325 L CB -1.796 39.668 42.059 -0.992 0.000 1.407 1325 L HN 0.389 nan 8.230 nan 0.000 0.410 1326 S N -0.860 114.121 115.700 -1.198 0.000 2.570 1326 S HA 0.818 5.287 4.470 -0.003 0.000 0.270 1326 S C -0.552 173.725 174.600 -0.537 0.000 1.149 1326 S CA -0.645 57.010 58.200 -0.908 0.000 0.837 1326 S CB 2.950 65.874 63.200 -0.459 0.000 1.124 1326 S HN 0.215 nan 8.310 nan 0.000 0.465 1327 S N -0.025 115.267 115.700 -0.680 0.000 2.720 1327 S HA 0.692 5.161 4.470 -0.003 0.000 0.287 1327 S C -1.787 172.241 174.600 -0.954 0.000 1.168 1327 S CA -0.642 57.143 58.200 -0.692 0.000 0.832 1327 S CB 1.768 64.586 63.200 -0.636 0.000 1.166 1327 S HN 0.849 nan 8.310 nan 0.000 0.493 1328 Q N 0.152 119.578 119.800 -0.623 0.000 2.496 1328 Q HA 0.413 4.752 4.340 -0.003 0.000 0.286 1328 Q C 0.278 176.274 176.000 -0.007 0.000 1.103 1328 Q CA -0.945 54.682 55.803 -0.293 0.000 0.813 1328 Q CB 0.949 29.673 28.738 -0.024 0.000 1.444 1328 Q HN 0.812 nan 8.270 nan 0.000 0.443 1329 H N 1.249 120.457 119.070 0.230 0.000 2.321 1329 H HA -0.068 4.486 4.556 -0.003 0.000 0.300 1329 H C 1.574 177.063 175.328 0.268 0.000 1.087 1329 H CA 1.828 58.108 56.048 0.387 0.000 1.319 1329 H CB 0.204 30.179 29.762 0.355 0.000 1.379 1329 H HN 0.627 nan 8.280 nan 0.000 0.501 1330 L N 0.377 121.836 121.223 0.394 0.000 2.064 1330 L HA -0.242 4.096 4.340 -0.003 0.000 0.216 1330 L C 2.539 179.632 176.870 0.372 0.000 1.077 1330 L CA 2.099 57.129 54.840 0.317 0.000 0.766 1330 L CB -0.692 41.496 42.059 0.214 0.000 0.890 1330 L HN 0.347 nan 8.230 nan 0.000 0.435 1331 T N -1.925 112.826 114.554 0.329 0.000 2.929 1331 T HA -0.179 4.170 4.350 -0.003 0.000 0.271 1331 T C 1.734 176.624 174.700 0.317 0.000 1.085 1331 T CA 1.073 63.419 62.100 0.410 0.000 1.125 1331 T CB -0.541 68.469 68.868 0.236 0.000 0.874 1331 T HN 0.422 nan 8.240 nan 0.000 0.494 1332 c N 2.157 120.882 118.600 0.207 0.000 2.485 1332 c HA 0.034 4.603 4.570 -0.003 0.000 0.283 1332 c C 2.256 176.363 174.090 0.027 0.000 1.478 1332 c CA -0.400 55.965 56.329 0.060 0.000 1.741 1332 c CB -2.268 40.203 42.510 -0.064 0.000 1.675 1332 c HN 0.794 nan 8.230 nan 0.000 0.573 1333 F N 3.318 123.341 119.950 0.122 0.000 2.451 1333 F HA -0.089 4.436 4.527 -0.003 0.000 0.299 1333 F C 1.779 177.713 175.800 0.223 0.000 1.101 1333 F CA 1.427 59.516 58.000 0.149 0.000 1.436 1333 F CB -0.805 38.308 39.000 0.188 0.000 1.074 1333 F HN 0.286 nan 8.300 nan 0.000 0.553 1334 D N 0.924 120.757 120.400 -0.944 0.000 2.104 1334 D HA -0.182 4.456 4.640 -0.003 0.000 0.194 1334 D C 2.352 178.561 176.300 -0.151 0.000 0.994 1334 D CA 1.621 55.200 54.000 -0.702 0.000 0.830 1334 D CB -1.499 39.094 40.800 -0.344 0.000 0.959 1334 D HN 0.355 nan 8.370 nan 0.000 0.452 1335 G N 0.233 108.958 108.800 -0.125 0.000 2.442 1335 G HA2 -0.180 3.778 3.960 -0.003 0.000 0.219 1335 G HA3 -0.180 3.778 3.960 -0.003 0.000 0.219 1335 G C 1.768 176.685 174.900 0.027 0.000 1.141 1335 G CA 1.071 46.146 45.100 -0.042 0.000 0.763 1335 G HN 0.531 nan 8.290 nan 0.000 0.554 1336 G N 0.059 108.843 108.800 -0.026 0.000 2.448 1336 G HA2 -0.131 3.827 3.960 -0.003 0.000 0.219 1336 G HA3 -0.131 3.827 3.960 -0.003 0.000 0.219 1336 G C 2.030 176.752 174.900 -0.296 0.000 1.127 1336 G CA 1.482 46.500 45.100 -0.136 0.000 0.766 1336 G HN 0.498 nan 8.290 nan 0.000 0.552 1337 S N -0.367 115.292 115.700 -0.068 0.000 2.357 1337 S HA 0.012 4.480 4.470 -0.003 0.000 0.221 1337 S C 2.063 176.710 174.600 0.078 0.000 1.031 1337 S CA 0.710 58.923 58.200 0.021 0.000 0.982 1337 S CB -0.377 62.990 63.200 0.279 0.000 0.853 1337 S HN 0.285 nan 8.310 nan 0.000 0.458 1338 F N 1.645 121.712 119.950 0.196 0.000 2.126 1338 F HA -0.032 4.493 4.527 -0.003 0.000 0.299 1338 F C 2.054 177.961 175.800 0.178 0.000 1.096 1338 F CA 1.162 59.331 58.000 0.281 0.000 1.255 1338 F CB -0.326 38.795 39.000 0.201 0.000 0.997 1338 F HN 0.197 nan 8.300 nan 0.000 0.479 1339 L N -1.059 120.292 121.223 0.212 0.000 2.093 1339 L HA -0.196 4.143 4.340 -0.003 0.000 0.208 1339 L C 2.319 179.206 176.870 0.029 0.000 1.085 1339 L CA 0.550 55.453 54.840 0.105 0.000 0.755 1339 L CB -0.572 41.508 42.059 0.034 0.000 0.904 1339 L HN 0.169 nan 8.230 nan 0.000 0.435 1340 L N -0.052 121.103 121.223 -0.113 0.000 2.005 1340 L HA -0.023 4.316 4.340 -0.003 0.000 0.207 1340 L C 2.355 179.146 176.870 -0.132 0.000 1.072 1340 L CA 2.163 56.919 54.840 -0.139 0.000 0.744 1340 L CB -1.186 40.704 42.059 -0.283 0.000 0.895 1340 L HN 0.117 nan 8.230 nan 0.000 0.433 1341 G N -1.127 107.492 108.800 -0.302 0.000 2.432 1341 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.219 1341 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.219 1341 G C 1.474 176.406 174.900 0.052 0.000 1.135 1341 G CA 0.599 45.417 45.100 -0.470 0.000 0.767 1341 G HN 0.621 nan 8.290 nan 0.000 0.550 1342 G N -0.107 108.826 108.800 0.222 0.000 2.433 1342 G HA2 -0.218 3.741 3.960 -0.003 0.000 0.216 1342 G HA3 -0.218 3.741 3.960 -0.003 0.000 0.216 1342 G C 1.810 176.821 174.900 0.185 0.000 1.186 1342 G CA 1.809 47.106 45.100 0.329 0.000 0.779 1342 G HN 0.421 nan 8.290 nan 0.000 0.543 1343 T N -0.170 114.454 114.554 0.117 0.000 2.857 1343 T HA -0.055 4.293 4.350 -0.003 0.000 0.266 1343 T C 2.512 177.264 174.700 0.086 0.000 1.048 1343 T CA 1.449 63.601 62.100 0.086 0.000 1.139 1343 T CB -0.225 68.681 68.868 0.064 0.000 0.874 1343 T HN -0.010 nan 8.240 nan 0.000 0.455 1344 V N 1.290 121.256 119.914 0.086 0.000 2.343 1344 V HA -0.003 4.116 4.120 -0.003 0.000 0.247 1344 V C 2.292 178.470 176.094 0.141 0.000 1.051 1344 V CA 1.483 63.847 62.300 0.108 0.000 1.036 1344 V CB -0.413 31.480 31.823 0.116 0.000 0.654 1344 V HN 0.494 nan 8.190 nan 0.000 0.451 1345 L N -0.137 121.172 121.223 0.144 0.000 2.611 1345 L HA 0.220 4.559 4.340 -0.003 0.000 0.229 1345 L C 0.771 177.717 176.870 0.126 0.000 1.137 1345 L CA 0.190 55.123 54.840 0.154 0.000 0.901 1345 L CB -0.424 41.755 42.059 0.200 0.000 1.098 1345 L HN 0.387 nan 8.230 nan 0.000 0.456 1346 D N 1.975 122.439 120.400 0.107 0.000 2.697 1346 D HA -0.217 4.421 4.640 -0.003 0.000 0.235 1346 D C -0.056 176.274 176.300 0.050 0.000 1.167 1346 D CA 0.541 54.583 54.000 0.071 0.000 0.656 1346 D CB -0.119 40.711 40.800 0.050 0.000 1.025 1346 D HN 0.066 nan 8.370 nan 0.000 0.419 1347 R N 1.357 121.900 120.500 0.071 0.000 2.332 1347 R HA 0.163 4.502 4.340 -0.003 0.000 0.306 1347 R C 1.072 177.365 176.300 -0.012 0.000 1.117 1347 R CA -0.542 55.536 56.100 -0.036 0.000 1.108 1347 R CB 1.293 31.521 30.300 -0.119 0.000 1.126 1347 R HN 0.265 nan 8.270 nan 0.000 0.548 1348 Q N 1.920 121.703 119.800 -0.028 0.000 2.234 1348 Q HA -0.188 4.150 4.340 -0.003 0.000 0.206 1348 Q C 1.085 177.087 176.000 0.003 0.000 0.980 1348 Q CA 2.229 58.033 55.803 0.002 0.000 0.869 1348 Q CB 0.200 28.931 28.738 -0.012 0.000 0.912 1348 Q HN 0.552 nan 8.270 nan 0.000 0.436 1349 D N -1.158 119.190 120.400 -0.087 0.000 2.178 1349 D HA -0.169 4.469 4.640 -0.003 0.000 0.202 1349 D C 1.222 177.590 176.300 0.113 0.000 0.974 1349 D CA 0.826 54.783 54.000 -0.071 0.000 0.841 1349 D CB -0.595 40.081 40.800 -0.206 0.000 0.953 1349 D HN 0.292 nan 8.370 nan 0.000 0.478 1350 F N 0.942 121.002 119.950 0.184 0.000 2.234 1350 F HA 0.200 4.725 4.527 -0.003 0.000 0.296 1350 F C 2.492 178.480 175.800 0.313 0.000 1.089 1350 F CA -0.394 57.818 58.000 0.352 0.000 1.343 1350 F CB -0.653 38.617 39.000 0.450 0.000 1.040 1350 F HN -0.071 nan 8.300 nan 0.000 0.498 1351 I N -0.059 120.730 120.570 0.364 0.000 2.226 1351 I HA -0.290 3.878 4.170 -0.003 0.000 0.245 1351 I C 2.017 178.215 176.117 0.135 0.000 1.100 1351 I CA 1.415 62.841 61.300 0.210 0.000 1.374 1351 I CB -0.410 37.665 38.000 0.125 0.000 1.057 1351 I HN 0.007 nan 8.210 nan 0.000 0.413 1352 D N 0.576 121.049 120.400 0.122 0.000 2.117 1352 D HA -0.214 4.425 4.640 -0.003 0.000 0.197 1352 D C 1.915 178.251 176.300 0.060 0.000 0.987 1352 D CA 1.310 55.352 54.000 0.070 0.000 0.829 1352 D CB -0.370 40.466 40.800 0.060 0.000 0.961 1352 D HN 0.228 nan 8.370 nan 0.000 0.460 1353 F N 1.294 121.204 119.950 -0.066 0.000 2.234 1353 F HA 0.024 4.549 4.527 -0.003 0.000 0.299 1353 F C 2.184 177.793 175.800 -0.319 0.000 1.087 1353 F CA 1.419 59.278 58.000 -0.235 0.000 1.340 1353 F CB -0.321 38.463 39.000 -0.360 0.000 1.031 1353 F HN -0.049 nan 8.300 nan 0.000 0.500 1354 G N 0.484 109.207 108.800 -0.129 0.000 2.402 1354 G HA2 -0.198 3.760 3.960 -0.003 0.000 0.216 1354 G HA3 -0.198 3.760 3.960 -0.003 0.000 0.216 1354 G C 1.764 176.552 174.900 -0.186 0.000 1.162 1354 G CA 0.927 45.946 45.100 -0.134 0.000 0.777 1354 G HN 0.411 nan 8.290 nan 0.000 0.539 1355 L N -0.112 121.031 121.223 -0.134 0.000 2.131 1355 L HA -0.019 4.319 4.340 -0.003 0.000 0.210 1355 L C 2.759 179.558 176.870 -0.117 0.000 1.092 1355 L CA 1.067 55.837 54.840 -0.116 0.000 0.759 1355 L CB -0.288 41.731 42.059 -0.067 0.000 0.903 1355 L HN 0.252 nan 8.230 nan 0.000 0.435 1356 E N 0.128 120.193 120.200 -0.226 0.000 2.106 1356 E HA -0.169 4.179 4.350 -0.003 0.000 0.192 1356 E C 2.323 178.712 176.600 -0.352 0.000 0.984 1356 E CA 0.851 57.084 56.400 -0.279 0.000 0.806 1356 E CB 0.040 29.520 29.700 -0.368 0.000 0.750 1356 E HN 0.422 nan 8.360 nan 0.000 0.458 1357 L N -0.202 120.739 121.223 -0.471 0.000 2.109 1357 L HA -0.134 4.204 4.340 -0.003 0.000 0.207 1357 L C 2.355 179.130 176.870 -0.159 0.000 1.086 1357 L CA 0.462 55.065 54.840 -0.395 0.000 0.760 1357 L CB -0.299 41.465 42.059 -0.491 0.000 0.910 1357 L HN 0.078 nan 8.230 nan 0.000 0.437 1358 V N 0.144 120.012 119.914 -0.075 0.000 2.343 1358 V HA -0.300 3.819 4.120 -0.003 0.000 0.247 1358 V C 2.127 178.352 176.094 0.218 0.000 1.051 1358 V CA 1.968 64.350 62.300 0.136 0.000 1.036 1358 V CB -0.455 31.470 31.823 0.170 0.000 0.654 1358 V HN 0.450 nan 8.190 nan 0.000 0.451 1359 D N 0.388 120.863 120.400 0.125 0.000 2.144 1359 D HA -0.113 4.525 4.640 -0.003 0.000 0.199 1359 D C 2.167 178.423 176.300 -0.074 0.000 0.984 1359 D CA 1.575 55.629 54.000 0.091 0.000 0.834 1359 D CB -0.620 40.206 40.800 0.042 0.000 0.955 1359 D HN 0.485 nan 8.370 nan 0.000 0.465 1360 G N 0.254 108.960 108.800 -0.157 0.000 2.421 1360 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.216 1360 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.216 1360 G C 1.903 176.782 174.900 -0.035 0.000 1.171 1360 G CA 0.957 45.910 45.100 -0.246 0.000 0.775 1360 G HN 0.326 nan 8.290 nan 0.000 0.543 1361 c N 0.219 118.821 118.600 0.003 0.000 2.440 1361 c HA 0.066 4.634 4.570 -0.003 0.000 0.278 1361 c C 2.711 176.761 174.090 -0.066 0.000 1.295 1361 c CA 1.023 57.326 56.329 -0.044 0.000 1.738 1361 c CB -0.376 42.087 42.510 -0.078 0.000 1.987 1361 c HN 0.640 nan 8.230 nan 0.000 0.492 1362 E N 1.989 122.193 120.200 0.007 0.000 2.110 1362 E HA -0.119 4.230 4.350 -0.003 0.000 0.193 1362 E C 2.032 178.516 176.600 -0.192 0.000 0.988 1362 E CA 1.788 58.109 56.400 -0.131 0.000 0.804 1362 E CB -0.368 28.865 29.700 -0.777 0.000 0.745 1362 E HN 0.505 nan 8.360 nan 0.000 0.458 1363 A N 0.048 122.763 122.820 -0.174 0.000 1.908 1363 A HA -0.203 4.115 4.320 -0.003 0.000 0.218 1363 A C 2.492 180.024 177.584 -0.087 0.000 1.181 1363 A CA 2.626 54.586 52.037 -0.128 0.000 0.627 1363 A CB -1.494 17.438 19.000 -0.113 0.000 0.818 1363 A HN 0.527 nan 8.150 nan 0.000 0.445 1364 T N -4.077 110.321 114.554 -0.259 0.000 2.962 1364 T HA -0.140 4.208 4.350 -0.003 0.000 0.270 1364 T C 1.713 176.377 174.700 -0.060 0.000 1.088 1364 T CA 1.473 63.298 62.100 -0.457 0.000 1.127 1364 T CB -0.445 67.789 68.868 -1.056 0.000 0.883 1364 T HN 0.395 nan 8.240 nan 0.000 0.493 1365 Y N 3.636 123.835 120.300 -0.169 0.000 2.153 1365 Y HA 0.103 4.652 4.550 -0.003 0.000 0.289 1365 Y C 2.390 178.253 175.900 -0.062 0.000 1.119 1365 Y CA 1.209 59.254 58.100 -0.093 0.000 1.116 1365 Y CB -0.589 37.830 38.460 -0.068 0.000 1.004 1365 Y HN 0.454 nan 8.280 nan 0.000 0.501 1366 N N -1.085 117.649 118.700 0.056 0.000 2.567 1366 N HA -0.048 4.690 4.740 -0.003 0.000 0.195 1366 N C 0.675 176.204 175.510 0.031 0.000 1.242 1366 N CA 0.952 54.002 53.050 0.000 0.000 0.884 1366 N CB -0.338 38.097 38.487 -0.087 0.000 1.007 1366 N HN -0.014 nan 8.380 nan 0.000 0.450 1367 S N -1.273 114.483 115.700 0.094 0.000 2.511 1367 S HA 0.055 4.524 4.470 -0.003 0.000 0.214 1367 S C 0.681 175.442 174.600 0.269 0.000 0.997 1367 S CA 0.123 58.415 58.200 0.153 0.000 0.908 1367 S CB -0.013 63.291 63.200 0.174 0.000 0.803 1367 S HN 0.691 nan 8.310 nan 0.000 0.504 1368 T N -0.094 114.570 114.554 0.182 0.000 2.912 1368 T HA 0.475 4.823 4.350 -0.003 0.000 0.280 1368 T C 1.032 175.754 174.700 0.037 0.000 0.989 1368 T CA -0.705 61.464 62.100 0.115 0.000 0.995 1368 T CB 0.816 69.706 68.868 0.037 0.000 1.077 1368 T HN -0.068 nan 8.240 nan 0.000 0.531 1369 L N 1.451 122.672 121.223 -0.003 0.000 2.046 1369 L HA 0.023 4.361 4.340 -0.003 0.000 0.208 1369 L C 2.634 179.484 176.870 -0.032 0.000 1.077 1369 L CA 2.733 57.562 54.840 -0.017 0.000 0.747 1369 L CB -1.419 40.620 42.059 -0.034 0.000 0.896 1369 L HN 1.054 nan 8.230 nan 0.000 0.432 1370 T N -4.744 109.776 114.554 -0.057 0.000 3.067 1370 T HA 0.009 4.358 4.350 -0.003 0.000 0.261 1370 T C 0.927 175.569 174.700 -0.097 0.000 1.110 1370 T CA 0.330 62.381 62.100 -0.081 0.000 1.113 1370 T CB -0.035 68.768 68.868 -0.110 0.000 0.917 1370 T HN 0.276 nan 8.240 nan 0.000 0.499 1371 K N 0.230 120.576 120.400 -0.090 0.000 3.379 1371 K HA -0.079 4.239 4.320 -0.003 0.000 0.300 1371 K C -0.419 176.075 176.600 -0.177 0.000 1.302 1371 K CA 0.378 56.620 56.287 -0.074 0.000 0.877 1371 K CB -2.537 29.948 32.500 -0.025 0.000 1.343 1371 K HN 0.602 nan 8.250 nan 0.000 0.488 1372 I N 0.151 120.491 120.570 -0.383 0.000 2.509 1372 I HA 0.416 4.585 4.170 -0.003 0.000 0.293 1372 I C 1.154 176.745 176.117 -0.877 0.000 1.020 1372 I CA -0.848 59.936 61.300 -0.860 0.000 1.088 1372 I CB 2.069 39.626 38.000 -0.738 0.000 1.267 1372 I HN 0.097 nan 8.210 nan 0.000 0.430 1373 G N 5.045 112.966 108.800 -1.465 0.000 2.507 1373 G HA2 0.533 4.491 3.960 -0.003 0.000 0.271 1373 G HA3 0.533 4.491 3.960 -0.003 0.000 0.271 1373 G C -2.618 172.223 174.900 -0.097 0.000 1.189 1373 G CA -1.075 43.707 45.100 -0.530 0.000 0.859 1373 G HN 0.331 nan 8.290 nan 0.000 0.542 1374 P HA 0.141 nan 4.420 nan 0.000 0.274 1374 P C -0.127 177.416 177.300 0.404 0.000 1.246 1374 P CA -0.212 63.027 63.100 0.232 0.000 0.795 1374 P CB 1.856 33.728 31.700 0.287 0.000 1.006 1375 D N 0.284 120.885 120.400 0.336 0.000 2.117 1375 D HA -0.071 4.567 4.640 -0.003 0.000 0.198 1375 D C 0.371 176.879 176.300 0.346 0.000 0.982 1375 D CA 1.294 55.487 54.000 0.323 0.000 0.828 1375 D CB 0.126 41.043 40.800 0.194 0.000 0.967 1375 D HN 0.473 nan 8.370 nan 0.000 0.464 1376 S N -1.976 113.926 115.700 0.336 0.000 2.588 1376 S HA 0.690 5.158 4.470 -0.003 0.000 0.275 1376 S C -1.247 173.590 174.600 0.395 0.000 1.130 1376 S CA -1.046 57.275 58.200 0.201 0.000 0.855 1376 S CB 1.525 64.770 63.200 0.075 0.000 1.116 1376 S HN 0.393 nan 8.310 nan 0.000 0.472 1377 W N -0.270 121.057 121.300 0.046 0.000 2.959 1377 W HA 0.857 5.515 4.660 -0.003 0.000 0.358 1377 W C -0.671 175.787 176.519 -0.102 0.000 1.228 1377 W CA -0.701 56.668 57.345 0.039 0.000 1.183 1377 W CB 0.585 30.069 29.460 0.039 0.000 1.467 1377 W HN 1.065 nan 8.180 nan 0.000 0.578 1378 G N -0.393 108.350 108.800 -0.096 0.000 2.694 1378 G HA2 0.582 4.540 3.960 -0.003 0.000 0.290 1378 G HA3 0.582 4.540 3.960 -0.003 0.000 0.290 1378 G C -1.973 172.636 174.900 -0.485 0.000 1.386 1378 G CA -0.576 44.201 45.100 -0.538 0.000 0.872 1378 G HN 1.296 nan 8.290 nan 0.000 0.475 1379 W N -0.029 121.159 121.300 -0.187 0.000 1.686 1379 W HA 0.410 5.068 4.660 -0.003 0.000 0.263 1379 W C -0.624 176.067 176.519 0.286 0.000 0.860 1379 W CA -0.968 56.490 57.345 0.189 0.000 1.635 1379 W CB 0.319 30.013 29.460 0.390 0.000 0.998 1379 W HN 0.415 nan 8.180 nan 0.000 0.464 1380 D N 3.005 123.505 120.400 0.167 0.000 2.346 1380 D HA 0.112 4.751 4.640 -0.003 0.000 0.260 1380 D C -1.199 175.180 176.300 0.131 0.000 1.252 1380 D CA -1.874 52.194 54.000 0.114 0.000 0.895 1380 D CB 1.650 42.479 40.800 0.047 0.000 1.097 1380 D HN -0.074 nan 8.370 nan 0.000 0.489 1381 P HA -0.146 nan 4.420 nan 0.000 0.218 1381 P C 0.556 177.835 177.300 -0.034 0.000 1.146 1381 P CA 1.366 64.474 63.100 0.013 0.000 0.813 1381 P CB 0.225 31.986 31.700 0.103 0.000 0.778 1382 K N -0.808 119.588 120.400 -0.006 0.000 2.444 1382 K HA 0.073 4.391 4.320 -0.003 0.000 0.193 1382 K C 1.112 177.673 176.600 -0.066 0.000 1.024 1382 K CA 0.631 56.902 56.287 -0.025 0.000 1.077 1382 K CB 0.127 32.628 32.500 0.001 0.000 0.833 1382 K HN 0.192 nan 8.250 nan 0.000 0.517 1383 K N 0.532 120.869 120.400 -0.105 0.000 2.483 1383 K HA 0.150 4.468 4.320 -0.003 0.000 0.206 1383 K C -0.459 175.872 176.600 -0.448 0.000 1.086 1383 K CA -0.176 55.997 56.287 -0.189 0.000 1.052 1383 K CB 1.438 33.874 32.500 -0.106 0.000 0.904 1383 K HN -0.164 nan 8.250 nan 0.000 0.557 1384 V N 4.355 123.982 119.914 -0.479 0.000 2.458 1384 V HA 0.008 4.126 4.120 -0.003 0.000 0.287 1384 V C -2.152 173.698 176.094 -0.407 0.000 1.009 1384 V CA -0.924 60.982 62.300 -0.656 0.000 1.091 1384 V CB -0.283 31.256 31.823 -0.472 0.000 0.960 1384 V HN 0.074 nan 8.190 nan 0.000 0.476 1385 P HA 0.114 nan 4.420 nan 0.000 0.267 1385 P C 0.913 178.165 177.300 -0.081 0.000 1.205 1385 P CA 0.232 63.221 63.100 -0.186 0.000 0.765 1385 P CB 0.688 32.308 31.700 -0.133 0.000 0.828 1386 S N 2.108 117.775 115.700 -0.056 0.000 2.402 1386 S HA -0.200 4.268 4.470 -0.003 0.000 0.233 1386 S C 1.410 176.016 174.600 0.009 0.000 1.030 1386 S CA 1.741 59.931 58.200 -0.017 0.000 1.003 1386 S CB -0.611 62.579 63.200 -0.017 0.000 0.813 1386 S HN 0.676 nan 8.310 nan 0.000 0.477 1387 D N 0.849 121.253 120.400 0.006 0.000 2.224 1387 D HA -0.136 4.503 4.640 -0.003 0.000 0.205 1387 D C 1.395 177.721 176.300 0.043 0.000 0.965 1387 D CA 0.741 54.752 54.000 0.017 0.000 0.852 1387 D CB -0.297 40.507 40.800 0.006 0.000 0.947 1387 D HN 0.459 nan 8.370 nan 0.000 0.494 1388 Q N -0.318 119.523 119.800 0.068 0.000 2.282 1388 Q HA 0.054 4.392 4.340 -0.003 0.000 0.206 1388 Q C 1.829 177.959 176.000 0.217 0.000 0.878 1388 Q CA -0.380 55.515 55.803 0.152 0.000 0.944 1388 Q CB 0.500 29.362 28.738 0.207 0.000 1.100 1388 Q HN 0.028 nan 8.270 nan 0.000 0.509 1389 K N 2.213 122.700 120.400 0.146 0.000 2.071 1389 K HA -0.265 4.054 4.320 -0.003 0.000 0.217 1389 K C 1.405 178.130 176.600 0.208 0.000 1.054 1389 K CA 1.883 58.272 56.287 0.171 0.000 0.937 1389 K CB 0.041 32.600 32.500 0.098 0.000 0.719 1389 K HN 0.359 nan 8.250 nan 0.000 0.454 1390 E N -0.883 119.410 120.200 0.155 0.000 2.038 1390 E HA -0.201 4.147 4.350 -0.003 0.000 0.195 1390 E C 2.047 178.734 176.600 0.146 0.000 1.000 1390 E CA 1.433 57.911 56.400 0.129 0.000 0.803 1390 E CB -0.335 29.428 29.700 0.106 0.000 0.750 1390 E HN 0.268 nan 8.360 nan 0.000 0.448 1391 F N 0.924 120.882 119.950 0.013 0.000 2.069 1391 F HA -0.277 4.249 4.527 -0.003 0.000 0.298 1391 F C 2.361 178.113 175.800 -0.081 0.000 1.113 1391 F CA 1.722 59.691 58.000 -0.051 0.000 1.214 1391 F CB -0.684 38.277 39.000 -0.065 0.000 0.978 1391 F HN 0.054 nan 8.300 nan 0.000 0.474 1392 Y N 1.404 121.711 120.300 0.012 0.000 2.151 1392 Y HA -0.253 4.295 4.550 -0.003 0.000 0.284 1392 Y C 2.278 178.146 175.900 -0.054 0.000 1.166 1392 Y CA 2.170 60.251 58.100 -0.032 0.000 1.163 1392 Y CB -0.666 37.907 38.460 0.188 0.000 0.974 1392 Y HN 0.087 nan 8.280 nan 0.000 0.511 1393 E N 0.908 120.986 120.200 -0.203 0.000 2.118 1393 E HA -0.232 4.116 4.350 -0.003 0.000 0.195 1393 E C 2.021 178.441 176.600 -0.300 0.000 0.992 1393 E CA 2.041 58.291 56.400 -0.250 0.000 0.804 1393 E CB -0.342 29.357 29.700 -0.002 0.000 0.741 1393 E HN 0.816 nan 8.360 nan 0.000 0.458 1394 K N -0.378 119.852 120.400 -0.282 0.000 2.244 1394 K HA 0.268 4.586 4.320 -0.003 0.000 0.200 1394 K C 2.101 178.499 176.600 -0.337 0.000 1.052 1394 K CA 0.834 56.968 56.287 -0.256 0.000 0.980 1394 K CB 0.052 32.448 32.500 -0.174 0.000 0.838 1394 K HN 0.002 nan 8.250 nan 0.000 0.481 1395 A N 0.929 123.422 122.820 -0.545 0.000 1.935 1395 A HA 0.311 4.629 4.320 -0.003 0.000 0.214 1395 A C 1.803 179.221 177.584 -0.277 0.000 1.178 1395 A CA 1.076 52.787 52.037 -0.543 0.000 0.640 1395 A CB -0.423 17.861 19.000 -1.194 0.000 0.825 1395 A HN 0.652 nan 8.150 nan 0.000 0.447 1396 G N -2.432 106.148 108.800 -0.367 0.000 2.184 1396 G HA2 -0.060 3.898 3.960 -0.003 0.000 0.206 1396 G HA3 -0.060 3.898 3.960 -0.003 0.000 0.206 1396 G C 0.073 175.142 174.900 0.282 0.000 0.995 1396 G CA 0.166 45.190 45.100 -0.126 0.000 0.651 1396 G HN 1.579 nan 8.290 nan 0.000 0.511 1397 F N -1.111 118.894 119.950 0.092 0.000 2.741 1397 F HA 0.769 5.294 4.527 -0.003 0.000 0.313 1397 F C -0.940 175.119 175.800 0.432 0.000 1.153 1397 F CA -2.449 55.756 58.000 0.342 0.000 0.931 1397 F CB 0.621 39.706 39.000 0.141 0.000 1.335 1397 F HN 0.468 nan 8.300 nan 0.000 0.460 1398 Y N 0.521 121.158 120.300 0.562 0.000 2.446 1398 Y HA 0.803 5.351 4.550 -0.003 0.000 0.345 1398 Y C -0.895 175.330 175.900 0.541 0.000 0.984 1398 Y CA -2.177 56.168 58.100 0.408 0.000 1.058 1398 Y CB 0.998 39.639 38.460 0.302 0.000 1.220 1398 Y HN 0.678 nan 8.280 nan 0.000 0.455 1399 I N 3.043 123.963 120.570 0.584 0.000 2.441 1399 I HA 0.132 4.300 4.170 -0.003 0.000 0.287 1399 I C 0.409 176.776 176.117 0.417 0.000 1.049 1399 I CA 0.212 61.820 61.300 0.512 0.000 1.381 1399 I CB 1.478 39.691 38.000 0.355 0.000 1.409 1399 I HN 0.880 nan 8.210 nan 0.000 0.523 1400 S N 2.596 118.521 115.700 0.375 0.000 2.506 1400 S HA 0.034 4.502 4.470 -0.003 0.000 0.230 1400 S C 0.615 175.339 174.600 0.207 0.000 1.066 1400 S CA 0.082 58.448 58.200 0.277 0.000 0.940 1400 S CB 0.377 63.715 63.200 0.231 0.000 0.818 1400 S HN 0.663 nan 8.310 nan 0.000 0.518 1401 S N 0.556 116.387 115.700 0.218 0.000 2.789 1401 S HA 0.528 4.997 4.470 -0.003 0.000 0.286 1401 S C 0.432 175.146 174.600 0.190 0.000 1.153 1401 S CA -0.589 57.718 58.200 0.178 0.000 1.084 1401 S CB 1.049 64.346 63.200 0.162 0.000 1.036 1401 S HN 0.339 nan 8.310 nan 0.000 0.484 1402 G N 2.523 111.414 108.800 0.152 0.000 3.026 1402 G HA2 0.131 4.090 3.960 -0.003 0.000 0.208 1402 G HA3 0.131 4.090 3.960 -0.003 0.000 0.208 1402 G C 0.635 175.592 174.900 0.095 0.000 1.169 1402 G CA 0.258 45.434 45.100 0.127 0.000 0.788 1402 G HN 0.833 nan 8.290 nan 0.000 0.533 1403 S N -0.743 115.015 115.700 0.096 0.000 2.614 1403 S HA 0.532 5.001 4.470 -0.003 0.000 0.265 1403 S C -0.808 173.824 174.600 0.053 0.000 1.303 1403 S CA -0.727 57.485 58.200 0.021 0.000 1.000 1403 S CB 1.478 64.687 63.200 0.015 0.000 0.935 1403 S HN 0.319 nan 8.310 nan 0.000 0.551 1404 Y N 1.319 121.515 120.300 -0.173 0.000 2.322 1404 Y HA 0.462 5.010 4.550 -0.003 0.000 0.324 1404 Y C -0.202 175.599 175.900 -0.165 0.000 1.027 1404 Y CA -1.313 56.694 58.100 -0.156 0.000 1.179 1404 Y CB 1.433 39.801 38.460 -0.152 0.000 1.136 1404 Y HN 0.697 nan 8.280 nan 0.000 0.449 1405 V N 4.779 124.324 119.914 -0.616 0.000 3.140 1405 V HA 0.278 4.396 4.120 -0.003 0.000 0.379 1405 V C 0.418 176.215 176.094 -0.496 0.000 1.296 1405 V CA -0.092 61.953 62.300 -0.426 0.000 1.351 1405 V CB -1.114 30.656 31.823 -0.089 0.000 1.311 1405 V HN 0.956 nan 8.190 nan 0.000 0.508 1406 L N -1.188 119.327 121.223 -1.180 0.000 3.717 1406 L HA -0.183 4.155 4.340 -0.003 0.000 0.411 1406 L C 0.921 177.705 176.870 -0.143 0.000 1.233 1406 L CA 0.512 54.972 54.840 -0.633 0.000 0.917 1406 L CB -1.519 40.451 42.059 -0.148 0.000 1.902 1406 L HN 0.576 nan 8.230 nan 0.000 0.894 1407 R N 1.473 121.742 120.500 -0.385 0.000 2.582 1407 R HA 0.263 4.601 4.340 -0.003 0.000 0.271 1407 R C -1.269 175.205 176.300 0.290 0.000 1.078 1407 R CA -0.830 55.236 56.100 -0.056 0.000 1.127 1407 R CB 0.686 30.799 30.300 -0.313 0.000 1.038 1407 R HN 0.019 nan 8.270 nan 0.000 0.500 1408 P HA 0.169 nan 4.420 nan 0.000 0.291 1408 P C -0.194 177.230 177.300 0.206 0.000 1.341 1408 P CA 0.148 63.419 63.100 0.286 0.000 0.999 1408 P CB 0.680 32.545 31.700 0.275 0.000 1.501 1409 E N 0.367 120.716 120.200 0.248 0.000 2.171 1409 E HA -0.126 4.223 4.350 -0.003 0.000 0.197 1409 E C 1.936 178.479 176.600 -0.095 0.000 0.997 1409 E CA 1.328 57.800 56.400 0.121 0.000 0.810 1409 E CB -0.968 28.855 29.700 0.205 0.000 0.738 1409 E HN 0.081 nan 8.360 nan 0.000 0.467 1410 V N 0.344 120.104 119.914 -0.256 0.000 2.407 1410 V HA -0.148 3.971 4.120 -0.003 0.000 0.245 1410 V C 2.076 177.654 176.094 -0.861 0.000 1.041 1410 V CA 1.204 63.094 62.300 -0.684 0.000 1.040 1410 V CB -0.298 30.921 31.823 -1.007 0.000 0.671 1410 V HN 0.246 nan 8.190 nan 0.000 0.455 1411 I N 0.272 120.579 120.570 -0.438 0.000 2.226 1411 I HA -0.265 3.903 4.170 -0.003 0.000 0.245 1411 I C 2.576 178.619 176.117 -0.124 0.000 1.100 1411 I CA 1.893 63.101 61.300 -0.153 0.000 1.374 1411 I CB -0.350 37.720 38.000 0.117 0.000 1.057 1411 I HN 0.445 nan 8.210 nan 0.000 0.413 1412 E N 1.094 121.108 120.200 -0.310 0.000 2.048 1412 E HA -0.271 4.078 4.350 -0.003 0.000 0.202 1412 E C 2.219 178.740 176.600 -0.132 0.000 1.021 1412 E CA 2.271 58.271 56.400 -0.666 0.000 0.825 1412 E CB -0.004 29.373 29.700 -0.539 0.000 0.756 1412 E HN 0.368 nan 8.360 nan 0.000 0.454 1413 S N -0.230 115.461 115.700 -0.015 0.000 2.402 1413 S HA -0.068 4.400 4.470 -0.003 0.000 0.229 1413 S C 1.616 176.367 174.600 0.253 0.000 1.021 1413 S CA 0.852 59.140 58.200 0.147 0.000 0.974 1413 S CB -0.353 62.862 63.200 0.025 0.000 0.800 1413 S HN 0.330 nan 8.310 nan 0.000 0.484 1414 F N -0.052 119.945 119.950 0.078 0.000 2.171 1414 F HA -0.169 4.356 4.527 -0.003 0.000 0.300 1414 F C 2.311 178.195 175.800 0.139 0.000 1.090 1414 F CA 1.007 59.090 58.000 0.138 0.000 1.293 1414 F CB -0.291 38.832 39.000 0.206 0.000 1.013 1414 F HN 0.275 nan 8.300 nan 0.000 0.486 1415 Y N -0.226 120.185 120.300 0.186 0.000 2.242 1415 Y HA -0.288 4.260 4.550 -0.003 0.000 0.291 1415 Y C 2.032 177.946 175.900 0.024 0.000 1.137 1415 Y CA 1.498 59.637 58.100 0.064 0.000 1.181 1415 Y CB -0.693 37.718 38.460 -0.082 0.000 0.989 1415 Y HN -0.007 nan 8.280 nan 0.000 0.527 1416 Y N -0.367 119.868 120.300 -0.107 0.000 2.263 1416 Y HA -0.123 4.425 4.550 -0.003 0.000 0.292 1416 Y C 2.639 178.418 175.900 -0.202 0.000 1.130 1416 Y CA 1.019 58.995 58.100 -0.206 0.000 1.179 1416 Y CB -0.638 37.791 38.460 -0.053 0.000 0.998 1416 Y HN 0.244 nan 8.280 nan 0.000 0.532 1417 A N -0.361 122.441 122.820 -0.031 0.000 1.908 1417 A HA -0.277 4.041 4.320 -0.003 0.000 0.218 1417 A C 2.142 179.597 177.584 -0.214 0.000 1.181 1417 A CA 2.013 53.874 52.037 -0.292 0.000 0.627 1417 A CB -1.136 17.412 19.000 -0.754 0.000 0.818 1417 A HN 0.639 nan 8.150 nan 0.000 0.445 1418 H N -0.532 118.458 119.070 -0.133 0.000 2.353 1418 H HA -0.075 4.479 4.556 -0.003 0.000 0.300 1418 H C 2.053 177.312 175.328 -0.114 0.000 1.090 1418 H CA 1.512 57.545 56.048 -0.025 0.000 1.327 1418 H CB -0.012 29.743 29.762 -0.012 0.000 1.383 1418 H HN 0.269 nan 8.280 nan 0.000 0.508 1419 R N 0.371 120.648 120.500 -0.372 0.000 2.092 1419 R HA -0.053 4.286 4.340 -0.003 0.000 0.231 1419 R C 2.535 178.695 176.300 -0.233 0.000 1.119 1419 R CA 0.860 56.728 56.100 -0.387 0.000 0.970 1419 R CB -0.683 29.360 30.300 -0.428 0.000 0.864 1419 R HN 0.265 nan 8.270 nan 0.000 0.440 1420 V N 0.702 120.527 119.914 -0.149 0.000 2.346 1420 V HA -0.158 3.961 4.120 -0.003 0.000 0.244 1420 V C 2.544 178.592 176.094 -0.078 0.000 1.037 1420 V CA 2.222 64.477 62.300 -0.074 0.000 1.029 1420 V CB -0.615 31.195 31.823 -0.021 0.000 0.663 1420 V HN 0.481 nan 8.190 nan 0.000 0.454 1421 T N -2.781 111.723 114.554 -0.084 0.000 2.976 1421 T HA 0.229 4.577 4.350 -0.003 0.000 0.257 1421 T C 1.657 176.315 174.700 -0.070 0.000 1.051 1421 T CA 1.301 63.377 62.100 -0.039 0.000 1.141 1421 T CB 0.452 69.349 68.868 0.047 0.000 0.881 1421 T HN 1.030 nan 8.240 nan 0.000 0.461 1422 G N 1.507 110.216 108.800 -0.153 0.000 2.157 1422 G HA2 -0.184 3.774 3.960 -0.003 0.000 0.239 1422 G HA3 -0.184 3.774 3.960 -0.003 0.000 0.239 1422 G C -0.032 174.812 174.900 -0.094 0.000 0.982 1422 G CA -0.048 44.923 45.100 -0.215 0.000 0.650 1422 G HN 0.624 nan 8.290 nan 0.000 0.527 1423 K N 0.416 120.824 120.400 0.014 0.000 2.298 1423 K HA 0.381 4.700 4.320 -0.003 0.000 0.280 1423 K C 1.029 177.635 176.600 0.010 0.000 1.032 1423 K CA -0.511 55.758 56.287 -0.030 0.000 0.958 1423 K CB 1.507 33.928 32.500 -0.132 0.000 0.978 1423 K HN 0.153 nan 8.250 nan 0.000 0.472 1424 E N 1.791 121.933 120.200 -0.096 0.000 2.204 1424 E HA -0.112 4.237 4.350 -0.003 0.000 0.194 1424 E C 1.513 177.934 176.600 -0.298 0.000 0.989 1424 E CA 0.494 56.819 56.400 -0.125 0.000 0.824 1424 E CB -0.145 29.483 29.700 -0.121 0.000 0.756 1424 E HN 0.610 nan 8.360 nan 0.000 0.477 1425 I N -0.335 119.920 120.570 -0.526 0.000 2.264 1425 I HA -0.308 3.860 4.170 -0.003 0.000 0.248 1425 I C 1.478 176.968 176.117 -1.044 0.000 1.111 1425 I CA 1.522 62.320 61.300 -0.837 0.000 1.382 1425 I CB -0.130 37.202 38.000 -1.113 0.000 1.060 1425 I HN 0.192 nan 8.210 nan 0.000 0.418 1426 Y N 0.061 120.019 120.300 -0.569 0.000 2.314 1426 Y HA -0.184 4.364 4.550 -0.003 0.000 0.293 1426 Y C 2.698 178.461 175.900 -0.228 0.000 1.129 1426 Y CA 1.264 59.095 58.100 -0.449 0.000 1.201 1426 Y CB -0.482 37.856 38.460 -0.203 0.000 0.999 1426 Y HN 0.161 nan 8.280 nan 0.000 0.541 1427 R N 0.917 121.305 120.500 -0.187 0.000 2.075 1427 R HA -0.158 4.181 4.340 -0.003 0.000 0.232 1427 R C 1.406 177.673 176.300 -0.055 0.000 1.126 1427 R CA 2.154 58.045 56.100 -0.349 0.000 0.963 1427 R CB -0.328 29.536 30.300 -0.726 0.000 0.858 1427 R HN 0.136 nan 8.270 nan 0.000 0.435 1428 D N -0.442 119.932 120.400 -0.044 0.000 2.178 1428 D HA -0.171 4.467 4.640 -0.003 0.000 0.201 1428 D C 1.357 177.871 176.300 0.356 0.000 0.980 1428 D CA 0.910 55.004 54.000 0.157 0.000 0.842 1428 D CB -0.250 40.577 40.800 0.045 0.000 0.948 1428 D HN 0.361 nan 8.370 nan 0.000 0.472 1429 W N 0.718 122.004 121.300 -0.023 0.000 2.436 1429 W HA 0.003 4.661 4.660 -0.003 0.000 0.284 1429 W C 2.222 178.839 176.519 0.164 0.000 1.225 1429 W CA 0.015 57.292 57.345 -0.113 0.000 1.271 1429 W CB -1.000 28.055 29.460 -0.676 0.000 1.114 1429 W HN -0.139 nan 8.180 nan 0.000 0.559 1430 V N -0.430 119.781 119.914 0.495 0.000 2.307 1430 V HA -0.279 3.839 4.120 -0.003 0.000 0.245 1430 V C 2.088 178.526 176.094 0.574 0.000 1.045 1430 V CA 1.854 64.493 62.300 0.565 0.000 1.024 1430 V CB -0.985 31.125 31.823 0.478 0.000 0.651 1430 V HN 0.304 nan 8.190 nan 0.000 0.449 1431 W N 1.309 122.852 121.300 0.406 0.000 2.358 1431 W HA -0.189 4.470 4.660 -0.003 0.000 0.303 1431 W C 2.156 178.867 176.519 0.320 0.000 1.208 1431 W CA 1.945 59.509 57.345 0.366 0.000 1.274 1431 W CB -0.327 29.321 29.460 0.313 0.000 1.138 1431 W HN 0.409 nan 8.180 nan 0.000 0.515 1432 N N 0.432 119.329 118.700 0.328 0.000 2.120 1432 N HA -0.173 4.565 4.740 -0.003 0.000 0.188 1432 N C 2.038 177.602 175.510 0.090 0.000 1.024 1432 N CA 1.442 54.582 53.050 0.150 0.000 0.852 1432 N CB -0.524 38.086 38.487 0.204 0.000 1.003 1432 N HN 0.054 nan 8.380 nan 0.000 0.424 1433 A N 1.422 124.377 122.820 0.226 0.000 1.858 1433 A HA -0.180 4.138 4.320 -0.003 0.000 0.216 1433 A C 2.002 179.653 177.584 0.111 0.000 1.190 1433 A CA 1.117 53.302 52.037 0.248 0.000 0.617 1433 A CB -1.045 18.178 19.000 0.372 0.000 0.827 1433 A HN 0.381 nan 8.150 nan 0.000 0.443 1434 F N 0.922 120.873 119.950 0.002 0.000 2.091 1434 F HA -0.203 4.322 4.527 -0.003 0.000 0.299 1434 F C 2.190 177.835 175.800 -0.258 0.000 1.103 1434 F CA 2.163 60.094 58.000 -0.115 0.000 1.228 1434 F CB -0.555 38.363 39.000 -0.136 0.000 0.984 1434 F HN 0.023 nan 8.300 nan 0.000 0.477 1435 V N 0.495 120.028 119.914 -0.634 0.000 2.427 1435 V HA -0.255 3.864 4.120 -0.003 0.000 0.248 1435 V C 2.756 178.602 176.094 -0.415 0.000 1.051 1435 V CA 1.654 63.539 62.300 -0.691 0.000 1.048 1435 V CB -1.427 30.028 31.823 -0.613 0.000 0.666 1435 V HN 0.527 nan 8.190 nan 0.000 0.456 1436 A N -0.180 122.483 122.820 -0.262 0.000 1.933 1436 A HA -0.173 4.145 4.320 -0.003 0.000 0.218 1436 A C 2.151 179.610 177.584 -0.208 0.000 1.175 1436 A CA 1.845 53.772 52.037 -0.183 0.000 0.628 1436 A CB -0.491 18.436 19.000 -0.121 0.000 0.814 1436 A HN 0.522 nan 8.150 nan 0.000 0.444 1437 I N -0.461 119.958 120.570 -0.252 0.000 2.286 1437 I HA -0.212 3.956 4.170 -0.003 0.000 0.245 1437 I C 2.337 178.357 176.117 -0.162 0.000 1.104 1437 I CA 1.531 62.713 61.300 -0.198 0.000 1.397 1437 I CB -0.322 37.574 38.000 -0.174 0.000 1.072 1437 I HN 0.420 nan 8.210 nan 0.000 0.417 1438 N N 0.343 118.837 118.700 -0.343 0.000 2.223 1438 N HA -0.190 4.549 4.740 -0.003 0.000 0.185 1438 N C 1.906 177.375 175.510 -0.068 0.000 1.016 1438 N CA 1.642 54.581 53.050 -0.184 0.000 0.863 1438 N CB 0.044 38.221 38.487 -0.516 0.000 0.983 1438 N HN 0.354 nan 8.380 nan 0.000 0.429 1439 S N -2.726 112.898 115.700 -0.127 0.000 2.470 1439 S HA 0.064 4.532 4.470 -0.003 0.000 0.222 1439 S C 1.729 176.302 174.600 -0.046 0.000 1.024 1439 S CA 0.821 58.974 58.200 -0.079 0.000 0.931 1439 S CB -0.306 62.838 63.200 -0.093 0.000 0.791 1439 S HN 0.201 nan 8.310 nan 0.000 0.513 1440 T N 0.891 115.417 114.554 -0.046 0.000 2.939 1440 T HA 0.102 4.450 4.350 -0.003 0.000 0.254 1440 T C 1.681 176.393 174.700 0.020 0.000 1.041 1440 T CA 1.116 63.200 62.100 -0.026 0.000 1.142 1440 T CB -0.429 68.405 68.868 -0.057 0.000 0.874 1440 T HN 0.531 nan 8.240 nan 0.000 0.452 1441 C N 0.823 120.172 119.300 0.081 0.000 2.735 1441 C HA 0.378 4.837 4.460 -0.003 0.000 0.271 1441 C C 1.326 176.425 174.990 0.182 0.000 1.281 1441 C CA -1.073 58.041 59.018 0.160 0.000 1.719 1441 C CB -0.807 27.082 27.740 0.249 0.000 2.024 1441 C HN 0.392 nan 8.230 nan 0.000 0.566 1442 R N 2.159 122.746 120.500 0.146 0.000 2.590 1442 R HA 0.321 4.659 4.340 -0.003 0.000 0.274 1442 R C 0.476 176.699 176.300 -0.128 0.000 1.061 1442 R CA 0.950 56.968 56.100 -0.136 0.000 1.081 1442 R CB 0.565 30.771 30.300 -0.158 0.000 0.984 1442 R HN 0.583 nan 8.270 nan 0.000 0.448 1443 T N -1.000 113.457 114.554 -0.162 0.000 2.773 1443 T HA 0.217 4.566 4.350 -0.003 0.000 0.278 1443 T C 0.397 175.102 174.700 0.009 0.000 1.011 1443 T CA -0.885 61.174 62.100 -0.069 0.000 1.014 1443 T CB 1.221 70.047 68.868 -0.070 0.000 1.293 1443 T HN 0.453 nan 8.240 nan 0.000 0.554 1444 D N 0.544 120.952 120.400 0.013 0.000 2.218 1444 D HA -0.031 4.607 4.640 -0.003 0.000 0.204 1444 D C 2.152 178.493 176.300 0.068 0.000 0.976 1444 D CA 1.821 55.867 54.000 0.076 0.000 0.853 1444 D CB -0.110 40.713 40.800 0.039 0.000 0.939 1444 D HN 0.640 nan 8.370 nan 0.000 0.481 1445 S N -1.567 114.108 115.700 -0.042 0.000 2.499 1445 S HA 0.398 4.866 4.470 -0.003 0.000 0.225 1445 S C 1.196 175.595 174.600 -0.336 0.000 1.050 1445 S CA 0.454 58.590 58.200 -0.107 0.000 0.928 1445 S CB 1.413 64.621 63.200 0.013 0.000 0.803 1445 S HN 0.285 nan 8.310 nan 0.000 0.506 1446 G N 0.389 109.017 108.800 -0.286 0.000 2.929 1446 G HA2 0.534 4.493 3.960 -0.003 0.000 0.123 1446 G HA3 0.534 4.493 3.960 -0.003 0.000 0.123 1446 G C -1.769 172.730 174.900 -0.669 0.000 1.212 1446 G CA -0.705 44.158 45.100 -0.396 0.000 1.238 1446 G HN 0.230 nan 8.290 nan 0.000 0.617 1447 F N 0.880 120.841 119.950 0.018 0.000 2.576 1447 F HA 0.822 5.348 4.527 -0.003 0.000 0.313 1447 F C 0.417 176.203 175.800 -0.022 0.000 1.078 1447 F CA -0.537 57.468 58.000 0.009 0.000 0.921 1447 F CB 2.620 41.616 39.000 -0.008 0.000 1.232 1447 F HN 0.638 nan 8.300 nan 0.000 0.459 1448 A N 1.250 124.155 122.820 0.141 0.000 2.374 1448 A HA 0.896 5.214 4.320 -0.003 0.000 0.317 1448 A C -0.618 176.987 177.584 0.036 0.000 1.094 1448 A CA -0.631 51.447 52.037 0.068 0.000 0.765 1448 A CB 1.016 20.042 19.000 0.042 0.000 1.268 1448 A HN 1.033 nan 8.150 nan 0.000 0.438 1449 A N 0.318 123.119 122.820 -0.031 0.000 2.386 1449 A HA 0.552 4.870 4.320 -0.003 0.000 0.246 1449 A C 0.050 177.448 177.584 -0.310 0.000 1.089 1449 A CA -0.014 51.904 52.037 -0.198 0.000 0.790 1449 A CB 0.324 19.185 19.000 -0.231 0.000 1.042 1449 A HN 1.808 nan 8.150 nan 0.000 0.497 1450 V N 0.398 120.055 119.914 -0.429 0.000 2.962 1450 V HA 0.438 4.556 4.120 -0.003 0.000 0.313 1450 V C 1.198 177.005 176.094 -0.478 0.000 1.099 1450 V CA 0.322 62.418 62.300 -0.340 0.000 0.971 1450 V CB 2.350 34.124 31.823 -0.082 0.000 1.028 1450 V HN 1.371 nan 8.190 nan 0.000 0.430 1451 S N 2.078 117.649 115.700 -0.215 0.000 2.436 1451 S HA 0.095 4.563 4.470 -0.003 0.000 0.228 1451 S C 0.401 175.010 174.600 0.015 0.000 1.014 1451 S CA 0.817 59.006 58.200 -0.018 0.000 0.950 1451 S CB 0.054 63.377 63.200 0.205 0.000 0.784 1451 S HN 0.779 nan 8.310 nan 0.000 0.504 1452 D N 1.140 121.538 120.400 -0.003 0.000 2.365 1452 D HA 0.186 4.824 4.640 -0.003 0.000 0.235 1452 D C 0.693 176.983 176.300 -0.016 0.000 1.368 1452 D CA -0.372 53.632 54.000 0.008 0.000 1.001 1452 D CB 1.829 42.637 40.800 0.012 0.000 1.364 1452 D HN 0.074 nan 8.370 nan 0.000 0.577 1453 V N 1.805 121.709 119.914 -0.017 0.000 3.383 1453 V HA 0.032 4.151 4.120 -0.003 0.000 0.272 1453 V C 0.925 176.985 176.094 -0.056 0.000 1.181 1453 V CA 1.028 63.295 62.300 -0.055 0.000 1.171 1453 V CB -0.605 31.164 31.823 -0.090 0.000 0.800 1453 V HN 0.306 nan 8.190 nan 0.000 0.515 1454 N N 0.529 119.199 118.700 -0.050 0.000 2.275 1454 N HA 0.271 5.009 4.740 -0.003 0.000 0.236 1454 N C -0.198 175.266 175.510 -0.076 0.000 1.154 1454 N CA -0.104 52.897 53.050 -0.082 0.000 0.866 1454 N CB 0.173 38.570 38.487 -0.150 0.000 1.093 1454 N HN 0.620 nan 8.380 nan 0.000 0.515 1455 K N -0.354 120.016 120.400 -0.051 0.000 2.435 1455 K HA 0.620 4.939 4.320 -0.003 0.000 0.251 1455 K C -0.860 175.720 176.600 -0.033 0.000 0.954 1455 K CA -1.045 55.218 56.287 -0.040 0.000 0.820 1455 K CB 2.020 34.504 32.500 -0.027 0.000 1.292 1455 K HN 0.050 nan 8.250 nan 0.000 0.436 1456 A N 2.510 125.313 122.820 -0.027 0.000 2.567 1456 A HA -0.008 4.310 4.320 -0.003 0.000 0.240 1456 A C 0.334 177.905 177.584 -0.021 0.000 1.053 1456 A CA 0.407 52.430 52.037 -0.024 0.000 0.755 1456 A CB -0.359 18.630 19.000 -0.018 0.000 0.978 1456 A HN 0.984 nan 8.150 nan 0.000 0.507 1457 N N 0.883 119.568 118.700 -0.025 0.000 2.778 1457 N HA -0.252 4.486 4.740 -0.003 0.000 0.249 1457 N C 0.896 176.393 175.510 -0.021 0.000 1.069 1457 N CA 2.225 55.262 53.050 -0.022 0.000 0.831 1457 N CB -1.602 36.876 38.487 -0.014 0.000 1.142 1457 N HN 2.245 nan 8.380 nan 0.000 0.573 1458 G N -1.052 107.731 108.800 -0.027 0.000 2.147 1458 G HA2 0.057 4.015 3.960 -0.003 0.000 0.244 1458 G HA3 0.057 4.015 3.960 -0.003 0.000 0.244 1458 G C 1.165 176.057 174.900 -0.014 0.000 1.005 1458 G CA 1.098 46.181 45.100 -0.028 0.000 0.713 1458 G HN 1.553 nan 8.290 nan 0.000 0.515 1459 G N -1.170 107.626 108.800 -0.006 0.000 3.377 1459 G HA2 0.002 3.960 3.960 -0.003 0.000 0.304 1459 G HA3 0.002 3.960 3.960 -0.003 0.000 0.304 1459 G C 0.408 175.320 174.900 0.021 0.000 1.366 1459 G CA 0.895 46.000 45.100 0.010 0.000 1.020 1459 G HN 2.023 nan 8.290 nan 0.000 0.621 1460 S N 0.669 116.395 115.700 0.044 0.000 2.548 1460 S HA 0.668 5.136 4.470 -0.003 0.000 0.286 1460 S C -0.534 174.117 174.600 0.084 0.000 1.098 1460 S CA -0.740 57.499 58.200 0.064 0.000 0.930 1460 S CB 2.324 65.577 63.200 0.089 0.000 1.070 1460 S HN 0.701 nan 8.310 nan 0.000 0.480 1461 K N 1.125 121.573 120.400 0.079 0.000 2.144 1461 K HA 0.417 4.736 4.320 -0.003 0.000 0.270 1461 K C -1.171 175.560 176.600 0.219 0.000 1.005 1461 K CA -0.502 55.838 56.287 0.088 0.000 0.932 1461 K CB 0.462 32.991 32.500 0.047 0.000 1.021 1461 K HN 0.450 nan 8.250 nan 0.000 0.462 1462 Y N 0.808 121.106 120.300 -0.003 0.000 2.320 1462 Y HA 0.042 4.590 4.550 -0.002 0.000 0.324 1462 Y C 0.499 176.383 175.900 -0.025 0.000 1.190 1462 Y CA -1.402 56.690 58.100 -0.014 0.000 1.215 1462 Y CB 0.813 39.265 38.460 -0.014 0.000 1.221 1462 Y HN 0.571 nan 8.280 nan 0.000 0.486 1463 D N 2.660 123.120 120.400 0.099 0.000 2.688 1463 D HA 0.036 4.674 4.640 -0.003 0.000 0.228 1463 D C -0.551 175.767 176.300 0.030 0.000 1.116 1463 D CA 0.305 54.322 54.000 0.028 0.000 1.023 1463 D CB -0.619 40.166 40.800 -0.025 0.000 1.100 1463 D HN 0.506 nan 8.370 nan 0.000 0.487 1464 N N 1.786 120.525 118.700 0.065 0.000 2.371 1464 N HA 0.134 4.872 4.740 -0.003 0.000 0.280 1464 N C -1.864 173.647 175.510 0.002 0.000 1.084 1464 N CA -0.426 52.647 53.050 0.038 0.000 0.892 1464 N CB 1.561 40.098 38.487 0.084 0.000 1.653 1464 N HN 0.169 nan 8.380 nan 0.000 0.480 1465 Q N 2.959 122.734 119.800 -0.041 0.000 2.533 1465 Q HA 0.186 4.524 4.340 -0.003 0.000 0.251 1465 Q C -1.077 174.812 176.000 -0.184 0.000 0.966 1465 Q CA -0.565 55.183 55.803 -0.091 0.000 0.714 1465 Q CB 1.028 29.739 28.738 -0.044 0.000 1.284 1465 Q HN 0.516 nan 8.270 nan 0.000 0.478 1466 E N 0.881 120.865 120.200 -0.360 0.000 2.404 1466 E HA -0.017 4.331 4.350 -0.003 0.000 0.261 1466 E C 0.941 177.232 176.600 -0.515 0.000 1.074 1466 E CA 0.507 56.541 56.400 -0.609 0.000 0.917 1466 E CB 1.364 30.199 29.700 -1.442 0.000 0.965 1466 E HN 0.796 nan 8.360 nan 0.000 0.433 1467 S N 1.971 117.478 115.700 -0.322 0.000 2.469 1467 S HA -0.181 4.288 4.470 -0.003 0.000 0.238 1467 S C 1.536 176.176 174.600 0.067 0.000 0.998 1467 S CA 0.914 59.096 58.200 -0.028 0.000 0.957 1467 S CB -0.522 62.690 63.200 0.020 0.000 0.764 1467 S HN 0.533 nan 8.310 nan 0.000 0.514 1468 F N 0.858 120.849 119.950 0.069 0.000 2.771 1468 F HA 0.357 4.883 4.527 -0.003 0.000 0.299 1468 F C 1.752 177.576 175.800 0.041 0.000 1.177 1468 F CA -0.549 57.488 58.000 0.061 0.000 1.450 1468 F CB -0.641 38.391 39.000 0.053 0.000 1.114 1468 F HN 0.173 nan 8.300 nan 0.000 0.587 1469 L N 0.042 121.298 121.223 0.056 0.000 2.056 1469 L HA -0.108 4.231 4.340 -0.003 0.000 0.207 1469 L C 1.841 178.674 176.870 -0.061 0.000 1.078 1469 L CA 2.054 56.852 54.840 -0.070 0.000 0.749 1469 L CB -0.897 40.959 42.059 -0.338 0.000 0.901 1469 L HN 0.202 nan 8.230 nan 0.000 0.433 1470 F N 0.240 120.271 119.950 0.135 0.000 2.187 1470 F HA -0.004 4.521 4.527 -0.003 0.000 0.295 1470 F C 2.662 178.603 175.800 0.235 0.000 1.091 1470 F CA 1.029 59.159 58.000 0.218 0.000 1.308 1470 F CB -0.582 38.513 39.000 0.159 0.000 1.030 1470 F HN 0.154 nan 8.300 nan 0.000 0.487 1471 A N 0.032 123.059 122.820 0.345 0.000 1.854 1471 A HA -0.105 4.213 4.320 -0.003 0.000 0.214 1471 A C 2.012 179.608 177.584 0.019 0.000 1.192 1471 A CA 1.695 53.829 52.037 0.162 0.000 0.611 1471 A CB -0.489 18.558 19.000 0.078 0.000 0.832 1471 A HN 0.386 nan 8.150 nan 0.000 0.442 1472 E N -0.805 119.451 120.200 0.094 0.000 2.152 1472 E HA 0.035 4.384 4.350 -0.003 0.000 0.195 1472 E C 2.012 178.709 176.600 0.161 0.000 0.934 1472 E CA 0.677 57.117 56.400 0.067 0.000 0.869 1472 E CB -0.223 29.602 29.700 0.209 0.000 0.842 1472 E HN 0.260 nan 8.360 nan 0.000 0.472 1473 V N 1.973 122.020 119.914 0.223 0.000 2.287 1473 V HA -0.267 3.851 4.120 -0.003 0.000 0.248 1473 V C 2.327 178.536 176.094 0.191 0.000 1.053 1473 V CA 1.548 63.987 62.300 0.231 0.000 1.027 1473 V CB -0.348 31.592 31.823 0.194 0.000 0.646 1473 V HN 0.320 nan 8.190 nan 0.000 0.447 1474 M N -0.700 118.999 119.600 0.166 0.000 2.349 1474 M HA -0.060 4.418 4.480 -0.003 0.000 0.266 1474 M C 2.086 178.417 176.300 0.052 0.000 1.076 1474 M CA 1.399 56.798 55.300 0.165 0.000 1.126 1474 M CB -1.019 31.801 32.600 0.367 0.000 1.392 1474 M HN 0.345 nan 8.290 nan 0.000 0.440 1475 K N -0.269 120.110 120.400 -0.035 0.000 2.044 1475 K HA -0.112 4.206 4.320 -0.003 0.000 0.204 1475 K C 1.934 178.415 176.600 -0.198 0.000 1.049 1475 K CA 1.179 57.363 56.287 -0.171 0.000 0.945 1475 K CB -0.034 32.275 32.500 -0.319 0.000 0.724 1475 K HN 0.204 nan 8.250 nan 0.000 0.440 1476 Y N 0.760 120.988 120.300 -0.121 0.000 2.200 1476 Y HA -0.174 4.375 4.550 -0.003 0.000 0.290 1476 Y C 2.665 178.511 175.900 -0.090 0.000 1.137 1476 Y CA 1.120 59.054 58.100 -0.276 0.000 1.163 1476 Y CB 0.005 38.347 38.460 -0.197 0.000 0.988 1476 Y HN 0.098 nan 8.280 nan 0.000 0.518 1477 S N -0.594 115.215 115.700 0.181 0.000 2.356 1477 S HA -0.254 4.215 4.470 -0.003 0.000 0.223 1477 S C 1.732 176.432 174.600 0.166 0.000 1.032 1477 S CA 1.582 59.884 58.200 0.170 0.000 1.005 1477 S CB -0.652 62.563 63.200 0.026 0.000 0.867 1477 S HN 0.536 nan 8.310 nan 0.000 0.449 1478 Y N 1.824 122.104 120.300 -0.033 0.000 2.133 1478 Y HA -0.080 4.469 4.550 -0.003 0.000 0.287 1478 Y C 1.944 177.881 175.900 0.062 0.000 1.134 1478 Y CA 1.087 59.175 58.100 -0.020 0.000 1.133 1478 Y CB -0.586 37.812 38.460 -0.103 0.000 0.987 1478 Y HN 0.080 nan 8.280 nan 0.000 0.502 1479 L N 0.657 121.867 121.223 -0.023 0.000 2.127 1479 L HA -0.187 4.151 4.340 -0.003 0.000 0.211 1479 L C 2.585 179.513 176.870 0.096 0.000 1.089 1479 L CA 1.875 56.686 54.840 -0.049 0.000 0.757 1479 L CB -1.617 40.356 42.059 -0.144 0.000 0.899 1479 L HN 0.416 nan 8.230 nan 0.000 0.434 1480 A N -1.873 121.037 122.820 0.149 0.000 2.067 1480 A HA -0.184 4.134 4.320 -0.003 0.000 0.219 1480 A C 1.638 179.083 177.584 -0.231 0.000 1.158 1480 A CA 1.568 53.681 52.037 0.126 0.000 0.661 1480 A CB -0.658 18.423 19.000 0.134 0.000 0.801 1480 A HN 0.603 nan 8.150 nan 0.000 0.452 1481 H N -1.115 117.903 119.070 -0.086 0.000 2.893 1481 H HA 0.227 4.781 4.556 -0.003 0.000 0.270 1481 H C 0.945 176.157 175.328 -0.193 0.000 1.095 1481 H CA 0.276 56.241 56.048 -0.137 0.000 1.186 1481 H CB 0.366 30.047 29.762 -0.135 0.000 1.562 1481 H HN 0.493 nan 8.280 nan 0.000 0.536 1482 S N 0.568 116.146 115.700 -0.204 0.000 2.693 1482 S HA 0.263 4.731 4.470 -0.003 0.000 0.276 1482 S C 0.219 174.770 174.600 -0.081 0.000 1.192 1482 S CA -1.081 56.953 58.200 -0.276 0.000 0.994 1482 S CB 1.689 64.452 63.200 -0.728 0.000 1.012 1482 S HN 0.325 nan 8.310 nan 0.000 0.550 1483 E N 0.305 120.485 120.200 -0.033 0.000 2.418 1483 E HA 0.237 4.585 4.350 -0.003 0.000 0.261 1483 E C -0.471 176.128 176.600 -0.002 0.000 1.070 1483 E CA -0.447 55.951 56.400 -0.003 0.000 0.931 1483 E CB 0.008 29.713 29.700 0.008 0.000 0.954 1483 E HN 0.595 nan 8.360 nan 0.000 0.439 1484 D N 0.327 120.708 120.400 -0.032 0.000 2.382 1484 D HA 0.454 5.092 4.640 -0.003 0.000 0.240 1484 D C -0.838 175.347 176.300 -0.190 0.000 1.146 1484 D CA 0.575 54.536 54.000 -0.066 0.000 0.897 1484 D CB 0.727 41.494 40.800 -0.054 0.000 1.197 1484 D HN 0.662 nan 8.370 nan 0.000 0.432 1485 A N 1.214 123.845 122.820 -0.315 0.000 2.540 1485 A HA 0.613 4.931 4.320 -0.003 0.000 0.291 1485 A C 0.501 177.784 177.584 -0.502 0.000 1.083 1485 A CA -0.024 51.642 52.037 -0.618 0.000 0.650 1485 A CB 0.252 18.415 19.000 -1.395 0.000 1.292 1485 A HN 0.522 nan 8.150 nan 0.000 0.435 1486 A N -0.727 121.812 122.820 -0.470 0.000 1.940 1486 A HA -0.045 4.273 4.320 -0.003 0.000 0.219 1486 A C 1.596 179.246 177.584 0.110 0.000 1.176 1486 A CA 2.333 54.328 52.037 -0.071 0.000 0.631 1486 A CB -1.070 18.008 19.000 0.130 0.000 0.814 1486 A HN 1.844 nan 8.150 nan 0.000 0.446 1487 W N 0.059 121.342 121.300 -0.028 0.000 2.699 1487 W HA 0.195 4.854 4.660 -0.003 0.000 0.249 1487 W C 0.465 177.077 176.519 0.154 0.000 1.280 1487 W CA -0.010 57.212 57.345 -0.205 0.000 1.345 1487 W CB -0.525 28.655 29.460 -0.467 0.000 1.128 1487 W HN 0.115 nan 8.180 nan 0.000 0.642 1488 Q N 1.460 121.442 119.800 0.303 0.000 2.373 1488 Q HA 0.143 4.481 4.340 -0.003 0.000 0.255 1488 Q C 0.267 176.499 176.000 0.386 0.000 0.980 1488 Q CA -0.167 55.877 55.803 0.401 0.000 0.882 1488 Q CB 2.016 30.879 28.738 0.208 0.000 1.249 1488 Q HN -0.052 nan 8.270 nan 0.000 0.438 1489 V N 3.145 123.304 119.914 0.408 0.000 2.740 1489 V HA -0.030 4.088 4.120 -0.003 0.000 0.303 1489 V C 0.489 176.681 176.094 0.162 0.000 1.054 1489 V CA 0.215 62.698 62.300 0.306 0.000 1.106 1489 V CB 0.778 32.702 31.823 0.167 0.000 0.957 1489 V HN 0.644 nan 8.190 nan 0.000 0.486 1490 Q N 2.729 122.626 119.800 0.161 0.000 2.445 1490 Q HA 0.545 4.883 4.340 -0.003 0.000 0.281 1490 Q C -0.782 175.263 176.000 0.074 0.000 1.101 1490 Q CA -0.959 54.897 55.803 0.088 0.000 0.833 1490 Q CB 2.392 31.179 28.738 0.083 0.000 1.416 1490 Q HN 0.606 nan 8.270 nan 0.000 0.451 1491 K N -0.101 120.321 120.400 0.037 0.000 2.090 1491 K HA 0.505 4.823 4.320 -0.003 0.000 0.250 1491 K C 0.723 177.346 176.600 0.039 0.000 1.004 1491 K CA 0.330 56.636 56.287 0.032 0.000 0.919 1491 K CB 0.462 32.966 32.500 0.007 0.000 1.045 1491 K HN 0.812 nan 8.250 nan 0.000 0.471 1492 G N 0.780 109.606 108.800 0.043 0.000 2.651 1492 G HA2 -0.355 3.603 3.960 -0.003 0.000 0.315 1492 G HA3 -0.355 3.603 3.960 -0.003 0.000 0.315 1492 G C 0.597 175.527 174.900 0.049 0.000 1.258 1492 G CA 0.219 45.346 45.100 0.046 0.000 1.002 1492 G HN 0.768 nan 8.290 nan 0.000 0.551 1493 G N -0.390 108.429 108.800 0.033 0.000 3.690 1493 G HA2 0.494 4.452 3.960 -0.003 0.000 0.283 1493 G HA3 0.494 4.452 3.960 -0.003 0.000 0.283 1493 G C 0.969 175.870 174.900 0.002 0.000 1.057 1493 G CA 0.882 45.992 45.100 0.015 0.000 0.821 1493 G HN 0.610 nan 8.290 nan 0.000 0.526 1494 K N 0.349 120.759 120.400 0.017 0.000 2.444 1494 K HA 0.055 4.374 4.320 -0.003 0.000 0.193 1494 K C -0.016 176.603 176.600 0.031 0.000 1.024 1494 K CA -0.195 56.100 56.287 0.014 0.000 1.077 1494 K CB 0.177 32.687 32.500 0.016 0.000 0.833 1494 K HN 0.229 nan 8.250 nan 0.000 0.517 1495 N N 1.292 120.020 118.700 0.048 0.000 2.468 1495 N HA -0.037 4.701 4.740 -0.003 0.000 0.265 1495 N C 0.832 176.365 175.510 0.039 0.000 1.199 1495 N CA 0.227 53.329 53.050 0.087 0.000 0.928 1495 N CB 1.059 39.622 38.487 0.127 0.000 1.059 1495 N HN 0.085 nan 8.380 nan 0.000 0.467 1496 T N -1.383 113.208 114.554 0.062 0.000 3.001 1496 T HA 0.255 4.603 4.350 -0.003 0.000 0.251 1496 T C 0.033 174.600 174.700 -0.222 0.000 1.040 1496 T CA 0.187 62.243 62.100 -0.073 0.000 0.985 1496 T CB -0.033 68.794 68.868 -0.069 0.000 1.011 1496 T HN 0.194 nan 8.240 nan 0.000 0.509 1497 F N 0.438 120.434 119.950 0.077 0.000 2.593 1497 F HA 0.737 5.262 4.527 -0.003 0.000 0.320 1497 F C -0.700 175.163 175.800 0.105 0.000 1.060 1497 F CA -1.316 56.728 58.000 0.073 0.000 0.940 1497 F CB 2.404 41.440 39.000 0.059 0.000 1.268 1497 F HN -0.132 nan 8.300 nan 0.000 0.475 1498 V N 2.874 122.945 119.914 0.262 0.000 2.668 1498 V HA 0.449 4.567 4.120 -0.003 0.000 0.304 1498 V C -1.598 174.601 176.094 0.175 0.000 1.071 1498 V CA -0.668 61.782 62.300 0.250 0.000 0.894 1498 V CB 1.301 33.231 31.823 0.178 0.000 1.008 1498 V HN 0.564 nan 8.190 nan 0.000 0.425 1499 Y N 6.518 126.978 120.300 0.267 0.000 2.359 1499 Y HA 0.324 4.872 4.550 -0.003 0.000 0.330 1499 Y C 1.131 177.151 175.900 0.199 0.000 1.143 1499 Y CA 0.098 58.348 58.100 0.251 0.000 1.318 1499 Y CB 0.641 39.301 38.460 0.333 0.000 1.234 1499 Y HN 0.848 nan 8.280 nan 0.000 0.522 1500 N N 0.108 118.980 118.700 0.286 0.000 2.364 1500 N HA -0.012 4.726 4.740 -0.003 0.000 0.264 1500 N C 0.896 176.657 175.510 0.417 0.000 1.263 1500 N CA 0.074 53.296 53.050 0.287 0.000 0.959 1500 N CB 0.552 39.195 38.487 0.261 0.000 1.204 1500 N HN 0.632 nan 8.380 nan 0.000 0.550 1501 T N -1.394 113.457 114.554 0.495 0.000 3.072 1501 T HA -0.096 4.252 4.350 -0.003 0.000 0.266 1501 T C 0.682 175.498 174.700 0.194 0.000 1.127 1501 T CA 0.969 63.267 62.100 0.329 0.000 1.107 1501 T CB -0.249 68.716 68.868 0.161 0.000 0.910 1501 T HN 0.628 nan 8.240 nan 0.000 0.513 1502 E N -0.000 120.283 120.200 0.138 0.000 2.496 1502 E HA 0.562 4.910 4.350 -0.003 0.000 0.202 1502 E C 0.817 177.314 176.600 -0.171 0.000 1.021 1502 E CA 0.471 56.871 56.400 0.001 0.000 1.015 1502 E CB -0.417 29.279 29.700 -0.007 0.000 1.102 1502 E HN 0.322 nan 8.360 nan 0.000 0.452 1503 A N 0.576 123.431 122.820 0.058 0.000 2.847 1503 A HA -0.214 4.105 4.320 -0.003 0.000 0.263 1503 A C -0.448 177.146 177.584 0.017 0.000 1.391 1503 A CA 1.096 53.175 52.037 0.069 0.000 0.866 1503 A CB -2.350 16.493 19.000 -0.263 0.000 1.057 1503 A HN 0.471 nan 8.150 nan 0.000 0.673 1504 H N 0.214 119.375 119.070 0.151 0.000 2.640 1504 H HA 0.399 4.953 4.556 -0.003 0.000 0.297 1504 H C -2.483 172.784 175.328 -0.102 0.000 1.073 1504 H CA -1.502 54.552 56.048 0.010 0.000 1.305 1504 H CB 0.740 30.517 29.762 0.026 0.000 1.404 1504 H HN 0.424 nan 8.280 nan 0.000 0.459 1505 P HA 0.100 nan 4.420 nan 0.000 0.276 1505 P C -0.237 177.100 177.300 0.062 0.000 1.235 1505 P CA -0.150 62.697 63.100 -0.421 0.000 0.772 1505 P CB 1.271 32.487 31.700 -0.805 0.000 0.871 1506 I N 1.681 122.361 120.570 0.183 0.000 2.433 1506 I HA 0.179 4.347 4.170 -0.003 0.000 0.292 1506 I C 0.900 177.147 176.117 0.217 0.000 1.001 1506 I CA -0.702 60.730 61.300 0.221 0.000 1.119 1506 I CB 1.571 39.618 38.000 0.080 0.000 1.289 1506 I HN 0.269 nan 8.210 nan 0.000 0.438 1507 S N 4.394 120.119 115.700 0.042 0.000 2.549 1507 S HA 0.195 4.663 4.470 -0.003 0.000 0.286 1507 S C 0.253 174.779 174.600 -0.124 0.000 1.314 1507 S CA -0.563 57.372 58.200 -0.442 0.000 1.062 1507 S CB 0.599 63.609 63.200 -0.318 0.000 0.865 1507 S HN 0.420 nan 8.310 nan 0.000 0.498 1508 V N 2.684 122.449 119.914 -0.248 0.000 2.715 1508 V HA 0.658 4.777 4.120 -0.003 0.000 0.299 1508 V C 0.785 176.629 176.094 -0.417 0.000 1.054 1508 V CA -1.053 61.087 62.300 -0.267 0.000 1.077 1508 V CB -0.283 31.387 31.823 -0.255 0.000 0.972 1508 V HN 0.968 nan 8.190 nan 0.000 0.484 1509 A N 4.303 126.592 122.820 -0.885 0.000 2.567 1509 A HA 0.319 4.637 4.320 -0.003 0.000 0.236 1509 A C 1.029 178.431 177.584 -0.304 0.000 1.088 1509 A CA 0.600 52.287 52.037 -0.583 0.000 0.776 1509 A CB -0.480 18.064 19.000 -0.760 0.000 1.033 1509 A HN 1.226 nan 8.150 nan 0.000 0.513 1510 R N 0.000 120.394 120.500 -0.176 0.000 2.786 1510 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 1510 R CA 0.000 56.028 56.100 -0.120 0.000 0.921 1510 R CB 0.000 30.234 30.300 -0.109 0.000 0.687 1510 R HN 0.000 nan 8.270 nan 0.000 0.535