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 2iq5_1_A DATA FIRST_RESID 1004 DATA SEQUENCE SDVFHLGLTK NDLQGAQLAI VPGDPERVEK IAALMDKPVK LASHREFTSW DATA SEQUENCE RAELDGKAVI VCSTGIGGPS TSIAVEELAQ LGIRTFLRIG TTGAIQPHIN DATA SEQUENCE VGDVLVTTAS VRLDGASLHF APMEFPAVAD FACTTALVEA AKSIGATTHV DATA SEQUENCE GVTASSDTFY PGQERYDTYS GRVVRRFKGS MEEWQAMGVM NYEMESATLL DATA SEQUENCE TMCASQGLRA GMVAGVIVNR TQQEIPNAET MKQTESHAVK IVVEAARRLL 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 1004 S HA 0.000 nan 4.470 nan 0.000 0.327 1004 S C 0.000 174.586 174.600 -0.024 0.000 1.055 1004 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 1004 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 1005 D N 1.845 122.225 120.400 -0.032 0.000 2.289 1005 D HA 0.180 4.820 4.640 0.000 0.000 0.207 1005 D C 0.772 177.056 176.300 -0.028 0.000 0.966 1005 D CA 1.320 55.310 54.000 -0.016 0.000 0.868 1005 D CB 0.636 41.422 40.800 -0.022 0.000 0.943 1005 D HN 0.499 nan 8.370 nan 0.000 0.514 1006 V N -1.922 117.924 119.914 -0.113 0.000 3.113 1006 V HA 0.426 4.546 4.120 0.000 0.000 0.316 1006 V C 0.535 176.486 176.094 -0.238 0.000 1.125 1006 V CA -0.932 61.173 62.300 -0.324 0.000 1.026 1006 V CB 1.220 32.757 31.823 -0.477 0.000 1.080 1006 V HN -0.090 nan 8.190 nan 0.000 0.444 1007 F N -1.257 118.680 119.950 -0.022 0.000 2.776 1007 F HA 0.447 4.974 4.527 0.000 0.000 0.300 1007 F C 1.551 177.218 175.800 -0.222 0.000 1.116 1007 F CA 0.512 58.464 58.000 -0.079 0.000 1.375 1007 F CB -0.889 38.097 39.000 -0.023 0.000 1.109 1007 F HN 0.629 nan 8.300 nan 0.000 0.585 1008 H N -0.922 118.060 119.070 -0.146 0.000 2.916 1008 H HA 0.340 4.896 4.556 0.000 0.000 0.229 1008 H C 1.745 177.014 175.328 -0.099 0.000 0.917 1008 H CA 0.208 56.214 56.048 -0.071 0.000 1.048 1008 H CB 0.096 29.811 29.762 -0.077 0.000 1.417 1008 H HN 0.059 nan 8.280 nan 0.000 0.445 1009 L N -0.183 120.968 121.223 -0.119 0.000 2.313 1009 L HA 0.173 4.513 4.340 0.000 0.000 0.214 1009 L C 1.075 177.958 176.870 0.021 0.000 1.119 1009 L CA 0.785 55.593 54.840 -0.052 0.000 0.809 1009 L CB -0.106 41.864 42.059 -0.148 0.000 0.933 1009 L HN 0.525 nan 8.230 nan 0.000 0.449 1010 G N 1.236 109.947 108.800 -0.148 0.000 2.272 1010 G HA2 -0.261 3.699 3.960 0.000 0.000 0.280 1010 G HA3 -0.261 3.699 3.960 0.000 0.000 0.280 1010 G C -0.229 174.648 174.900 -0.039 0.000 1.067 1010 G CA -0.011 44.958 45.100 -0.217 0.000 0.902 1010 G HN 0.227 nan 8.290 nan 0.000 0.500 1011 L N -0.577 120.615 121.223 -0.052 0.000 2.370 1011 L HA 0.765 5.106 4.340 0.000 0.000 0.266 1011 L C 0.500 177.345 176.870 -0.043 0.000 1.002 1011 L CA -0.890 53.933 54.840 -0.028 0.000 0.818 1011 L CB 2.385 44.430 42.059 -0.023 0.000 1.325 1011 L HN 0.206 nan 8.230 nan 0.000 0.418 1012 T N -0.254 114.283 114.554 -0.028 0.000 2.944 1012 T HA 0.201 4.551 4.350 0.000 0.000 0.284 1012 T C 0.778 175.463 174.700 -0.024 0.000 1.010 1012 T CA -0.386 61.699 62.100 -0.026 0.000 1.025 1012 T CB 1.776 70.634 68.868 -0.018 0.000 1.079 1012 T HN 0.643 nan 8.240 nan 0.000 0.516 1013 K N 1.966 122.354 120.400 -0.021 0.000 2.032 1013 K HA -0.103 4.217 4.320 0.000 0.000 0.209 1013 K C 2.007 178.596 176.600 -0.017 0.000 1.048 1013 K CA 2.046 58.322 56.287 -0.019 0.000 0.927 1013 K CB -0.369 32.123 32.500 -0.013 0.000 0.712 1013 K HN 0.561 nan 8.250 nan 0.000 0.441 1014 N N 0.589 119.280 118.700 -0.015 0.000 2.289 1014 N HA -0.145 4.595 4.740 0.000 0.000 0.184 1014 N C 0.895 176.396 175.510 -0.016 0.000 1.016 1014 N CA 1.518 54.559 53.050 -0.014 0.000 0.872 1014 N CB -0.193 38.287 38.487 -0.012 0.000 0.973 1014 N HN 0.229 nan 8.380 nan 0.000 0.433 1015 D N -0.274 120.116 120.400 -0.018 0.000 2.190 1015 D HA -0.130 4.510 4.640 0.000 0.000 0.200 1015 D C 1.537 177.826 176.300 -0.019 0.000 0.992 1015 D CA 0.747 54.734 54.000 -0.020 0.000 0.854 1015 D CB -0.151 40.637 40.800 -0.019 0.000 0.936 1015 D HN 0.282 nan 8.370 nan 0.000 0.462 1016 L N 0.369 121.582 121.223 -0.018 0.000 2.395 1016 L HA 0.004 4.344 4.340 0.000 0.000 0.218 1016 L C 0.739 177.599 176.870 -0.017 0.000 1.130 1016 L CA 0.588 55.417 54.840 -0.018 0.000 0.826 1016 L CB -0.257 41.787 42.059 -0.025 0.000 0.941 1016 L HN -0.009 nan 8.230 nan 0.000 0.451 1017 Q N -0.279 119.512 119.800 -0.016 0.000 2.468 1017 Q HA -0.273 4.067 4.340 0.000 0.000 0.289 1017 Q C 1.188 177.178 176.000 -0.016 0.000 1.299 1017 Q CA 0.812 56.606 55.803 -0.014 0.000 0.838 1017 Q CB -2.293 26.438 28.738 -0.012 0.000 1.195 1017 Q HN 0.670 nan 8.270 nan 0.000 0.456 1018 G N -1.595 107.194 108.800 -0.019 0.000 2.179 1018 G HA2 -0.289 3.671 3.960 0.000 0.000 0.260 1018 G HA3 -0.289 3.671 3.960 0.000 0.000 0.260 1018 G C 0.362 175.245 174.900 -0.028 0.000 0.977 1018 G CA 0.411 45.499 45.100 -0.021 0.000 0.641 1018 G HN 1.277 nan 8.290 nan 0.000 0.533 1019 A N -0.218 122.583 122.820 -0.032 0.000 2.567 1019 A HA 0.507 4.827 4.320 0.000 0.000 0.240 1019 A C 1.086 178.629 177.584 -0.067 0.000 1.053 1019 A CA 1.448 53.458 52.037 -0.045 0.000 0.755 1019 A CB 0.163 19.138 19.000 -0.041 0.000 0.978 1019 A HN 0.593 nan 8.150 nan 0.000 0.507 1020 Q N 1.118 120.871 119.800 -0.079 0.000 2.164 1020 Q HA 0.309 4.649 4.340 0.000 0.000 0.226 1020 Q C -0.387 175.518 176.000 -0.158 0.000 0.813 1020 Q CA -0.020 55.721 55.803 -0.103 0.000 0.978 1020 Q CB 0.684 29.381 28.738 -0.069 0.000 1.149 1020 Q HN 0.761 nan 8.270 nan 0.000 0.489 1021 L N 0.522 121.654 121.223 -0.152 0.000 2.365 1021 L HA 0.817 5.157 4.340 0.000 0.000 0.273 1021 L C -1.671 175.081 176.870 -0.197 0.000 1.000 1021 L CA -0.630 54.096 54.840 -0.189 0.000 0.819 1021 L CB 1.670 43.662 42.059 -0.113 0.000 1.284 1021 L HN -0.092 nan 8.230 nan 0.000 0.418 1022 A N 5.331 127.984 122.820 -0.279 0.000 2.386 1022 A HA 0.741 5.061 4.320 0.000 0.000 0.311 1022 A C -1.173 176.373 177.584 -0.064 0.000 1.068 1022 A CA -0.618 51.318 52.037 -0.169 0.000 0.743 1022 A CB 1.306 20.186 19.000 -0.199 0.000 1.258 1022 A HN 0.498 nan 8.150 nan 0.000 0.429 1023 I N 2.903 123.472 120.570 -0.002 0.000 2.331 1023 I HA 0.355 4.525 4.170 0.000 0.000 0.292 1023 I C 0.070 176.229 176.117 0.069 0.000 0.998 1023 I CA -0.565 60.755 61.300 0.033 0.000 1.267 1023 I CB 1.034 39.043 38.000 0.015 0.000 1.386 1023 I HN 0.472 nan 8.210 nan 0.000 0.476 1024 V N 6.223 126.194 119.914 0.095 0.000 2.276 1024 V HA 0.511 4.631 4.120 0.000 0.000 0.268 1024 V C -2.500 173.638 176.094 0.074 0.000 1.032 1024 V CA -1.667 60.699 62.300 0.111 0.000 0.810 1024 V CB 0.766 32.689 31.823 0.168 0.000 1.060 1024 V HN 0.492 nan 8.190 nan 0.000 0.446 1025 P HA 0.291 nan 4.420 nan 0.000 0.274 1025 P C 0.988 178.313 177.300 0.042 0.000 1.246 1025 P CA 0.302 63.422 63.100 0.034 0.000 0.795 1025 P CB 1.726 33.434 31.700 0.012 0.000 1.006 1026 G N -0.230 108.585 108.800 0.026 0.000 2.426 1026 G HA2 -0.064 3.896 3.960 0.000 0.000 0.214 1026 G HA3 -0.064 3.896 3.960 0.000 0.000 0.214 1026 G C 0.253 175.156 174.900 0.004 0.000 1.156 1026 G CA 0.441 45.553 45.100 0.020 0.000 0.802 1026 G HN 0.494 nan 8.290 nan 0.000 0.534 1027 D N 0.223 120.620 120.400 -0.005 0.000 2.274 1027 D HA 0.272 4.912 4.640 0.000 0.000 0.239 1027 D C -1.253 175.039 176.300 -0.014 0.000 1.104 1027 D CA -2.386 51.601 54.000 -0.020 0.000 0.840 1027 D CB 2.345 43.128 40.800 -0.028 0.000 1.100 1027 D HN -0.030 nan 8.370 nan 0.000 0.477 1028 P HA -0.137 nan 4.420 nan 0.000 0.221 1028 P C 0.951 178.243 177.300 -0.013 0.000 1.145 1028 P CA 0.715 63.820 63.100 0.009 0.000 0.795 1028 P CB 0.585 32.294 31.700 0.014 0.000 0.775 1029 E N -0.163 120.019 120.200 -0.030 0.000 2.204 1029 E HA -0.138 4.212 4.350 0.000 0.000 0.195 1029 E C 1.807 178.358 176.600 -0.082 0.000 0.990 1029 E CA 0.809 57.181 56.400 -0.047 0.000 0.821 1029 E CB -0.029 29.646 29.700 -0.042 0.000 0.750 1029 E HN 0.238 nan 8.360 nan 0.000 0.477 1030 R N 0.145 120.599 120.500 -0.077 0.000 2.300 1030 R HA 0.059 4.399 4.340 0.000 0.000 0.199 1030 R C 2.160 178.374 176.300 -0.144 0.000 0.920 1030 R CA 0.111 56.153 56.100 -0.098 0.000 1.046 1030 R CB -0.261 30.001 30.300 -0.063 0.000 0.984 1030 R HN 0.059 nan 8.270 nan 0.000 0.493 1031 V N 1.096 120.913 119.914 -0.161 0.000 2.358 1031 V HA -0.231 3.889 4.120 0.000 0.000 0.246 1031 V C 2.459 178.229 176.094 -0.540 0.000 1.047 1031 V CA 2.056 64.222 62.300 -0.224 0.000 1.035 1031 V CB -0.407 31.363 31.823 -0.088 0.000 0.658 1031 V HN 0.339 nan 8.190 nan 0.000 0.452 1032 E N 0.318 120.050 120.200 -0.780 0.000 2.031 1032 E HA -0.253 4.097 4.350 0.000 0.000 0.193 1032 E C 2.275 178.492 176.600 -0.638 0.000 0.994 1032 E CA 1.306 56.993 56.400 -1.188 0.000 0.800 1032 E CB -0.102 29.038 29.700 -0.935 0.000 0.752 1032 E HN 0.346 nan 8.360 nan 0.000 0.447 1033 K N 0.311 120.487 120.400 -0.373 0.000 2.209 1033 K HA -0.113 4.207 4.320 0.000 0.000 0.204 1033 K C 2.350 178.842 176.600 -0.180 0.000 1.048 1033 K CA 1.363 57.513 56.287 -0.228 0.000 0.940 1033 K CB -0.334 32.072 32.500 -0.158 0.000 0.729 1033 K HN 0.392 nan 8.250 nan 0.000 0.451 1034 I N -2.937 117.523 120.570 -0.183 0.000 2.406 1034 I HA 0.102 4.272 4.170 0.000 0.000 0.249 1034 I C 2.346 178.398 176.117 -0.109 0.000 1.122 1034 I CA 1.080 62.309 61.300 -0.118 0.000 1.431 1034 I CB -1.600 36.350 38.000 -0.084 0.000 1.087 1034 I HN 0.113 nan 8.210 nan 0.000 0.424 1035 A N 0.961 123.682 122.820 -0.166 0.000 2.015 1035 A HA 0.199 4.520 4.320 0.000 0.000 0.219 1035 A C 2.555 180.105 177.584 -0.057 0.000 1.163 1035 A CA 1.731 53.719 52.037 -0.082 0.000 0.646 1035 A CB -1.124 17.845 19.000 -0.052 0.000 0.806 1035 A HN 1.003 nan 8.150 nan 0.000 0.448 1036 A N -0.387 122.357 122.820 -0.127 0.000 2.019 1036 A HA 0.005 4.325 4.320 0.000 0.000 0.219 1036 A C 1.950 179.511 177.584 -0.038 0.000 1.164 1036 A CA 1.183 53.175 52.037 -0.075 0.000 0.644 1036 A CB -0.425 18.508 19.000 -0.112 0.000 0.805 1036 A HN 0.412 nan 8.150 nan 0.000 0.449 1037 L N -1.178 120.019 121.223 -0.043 0.000 2.265 1037 L HA -0.055 4.285 4.340 0.000 0.000 0.215 1037 L C 1.049 177.914 176.870 -0.009 0.000 1.117 1037 L CA 1.146 55.971 54.840 -0.024 0.000 0.782 1037 L CB -0.715 41.329 42.059 -0.026 0.000 0.914 1037 L HN 0.495 nan 8.230 nan 0.000 0.441 1038 M N -1.333 118.266 119.600 -0.001 0.000 2.811 1038 M HA 0.252 4.732 4.480 0.000 0.000 0.303 1038 M C -0.380 175.934 176.300 0.024 0.000 1.227 1038 M CA -0.938 54.369 55.300 0.011 0.000 0.874 1038 M CB 1.078 33.687 32.600 0.015 0.000 1.681 1038 M HN -0.184 nan 8.290 nan 0.000 0.500 1039 D N 1.962 122.376 120.400 0.024 0.000 2.382 1039 D HA 0.085 4.725 4.640 0.000 0.000 0.245 1039 D C -0.175 176.150 176.300 0.042 0.000 1.120 1039 D CA 0.260 54.277 54.000 0.027 0.000 0.890 1039 D CB 0.472 41.283 40.800 0.018 0.000 1.201 1039 D HN 0.355 nan 8.370 nan 0.000 0.433 1040 K N 0.380 120.808 120.400 0.046 0.000 3.451 1040 K HA -0.119 4.201 4.320 0.000 0.000 0.273 1040 K C -2.349 174.304 176.600 0.088 0.000 0.944 1040 K CA 0.190 56.509 56.287 0.054 0.000 0.734 1040 K CB -1.540 30.980 32.500 0.033 0.000 1.437 1040 K HN 0.455 nan 8.250 nan 0.000 0.454 1041 P HA 0.145 nan 4.420 nan 0.000 0.276 1041 P C -0.186 177.281 177.300 0.279 0.000 1.264 1041 P CA -0.158 63.104 63.100 0.270 0.000 0.769 1041 P CB 1.222 33.109 31.700 0.312 0.000 0.840 1042 V N 4.502 124.498 119.914 0.137 0.000 2.540 1042 V HA 0.285 4.405 4.120 0.000 0.000 0.302 1042 V C 0.107 175.873 176.094 -0.548 0.000 1.035 1042 V CA -1.149 61.048 62.300 -0.172 0.000 0.873 1042 V CB 1.688 33.441 31.823 -0.117 0.000 0.992 1042 V HN 0.468 nan 8.190 nan 0.000 0.428 1043 K N 5.939 125.614 120.400 -1.208 0.000 2.378 1043 K HA 0.259 4.579 4.320 0.000 0.000 0.288 1043 K C 0.206 176.419 176.600 -0.646 0.000 1.057 1043 K CA -0.192 55.170 56.287 -1.541 0.000 0.971 1043 K CB 0.808 32.410 32.500 -1.497 0.000 0.975 1043 K HN 0.787 nan 8.250 nan 0.000 0.475 1044 L N 3.184 124.148 121.223 -0.433 0.000 2.116 1044 L HA 0.223 4.563 4.340 0.000 0.000 0.200 1044 L C 0.800 177.592 176.870 -0.130 0.000 1.084 1044 L CA 0.616 55.342 54.840 -0.191 0.000 0.766 1044 L CB -0.120 41.891 42.059 -0.081 0.000 0.930 1044 L HN 0.750 nan 8.230 nan 0.000 0.453 1045 A N -1.503 121.267 122.820 -0.083 0.000 2.602 1045 A HA 0.678 4.998 4.320 0.000 0.000 0.290 1045 A C -1.077 176.471 177.584 -0.061 0.000 1.114 1045 A CA -0.307 51.706 52.037 -0.040 0.000 0.683 1045 A CB 1.824 20.914 19.000 0.149 0.000 1.281 1045 A HN -0.110 nan 8.150 nan 0.000 0.416 1046 S N 0.500 116.041 115.700 -0.266 0.000 2.609 1046 S HA 0.534 5.004 4.470 0.000 0.000 0.250 1046 S C -1.818 172.526 174.600 -0.428 0.000 1.112 1046 S CA -0.453 57.631 58.200 -0.194 0.000 1.102 1046 S CB 0.035 63.171 63.200 -0.107 0.000 1.124 1046 S HN 0.663 nan 8.310 nan 0.000 0.460 1047 H N 3.487 122.632 119.070 0.125 0.000 2.823 1047 H HA 0.490 5.046 4.556 0.000 0.000 0.332 1047 H C 0.573 175.977 175.328 0.127 0.000 0.980 1047 H CA -0.513 55.612 56.048 0.129 0.000 1.286 1047 H CB 1.474 31.330 29.762 0.156 0.000 1.541 1047 H HN 0.643 nan 8.280 nan 0.000 0.521 1048 R N 0.773 121.349 120.500 0.126 0.000 3.934 1048 R HA -0.229 4.111 4.340 0.000 0.000 0.384 1048 R C 0.614 176.839 176.300 -0.126 0.000 0.241 1048 R CA 1.735 57.825 56.100 -0.016 0.000 1.241 1048 R CB -0.756 29.516 30.300 -0.046 0.000 0.999 1048 R HN 0.588 nan 8.270 nan 0.000 0.562 1049 E N 0.299 120.276 120.200 -0.372 0.000 2.451 1049 E HA 0.160 4.510 4.350 0.000 0.000 0.194 1049 E C -0.438 175.960 176.600 -0.336 0.000 1.027 1049 E CA 0.210 56.401 56.400 -0.350 0.000 0.914 1049 E CB 0.207 29.687 29.700 -0.367 0.000 1.054 1049 E HN 0.190 nan 8.360 nan 0.000 0.461 1050 F N 1.076 121.075 119.950 0.082 0.000 2.329 1050 F HA 0.252 4.779 4.527 0.000 0.000 0.362 1050 F C 0.582 176.442 175.800 0.100 0.000 1.113 1050 F CA -0.552 57.504 58.000 0.093 0.000 1.212 1050 F CB 0.708 39.775 39.000 0.111 0.000 1.509 1050 F HN -0.398 nan 8.300 nan 0.000 0.546 1051 T N 1.887 116.581 114.554 0.234 0.000 2.767 1051 T HA 0.523 4.873 4.350 0.000 0.000 0.284 1051 T C -0.101 174.754 174.700 0.259 0.000 0.973 1051 T CA -0.696 61.531 62.100 0.211 0.000 0.996 1051 T CB 0.926 69.909 68.868 0.190 0.000 0.927 1051 T HN 0.451 nan 8.240 nan 0.000 0.456 1052 S N 2.174 118.022 115.700 0.246 0.000 2.500 1052 S HA 0.745 5.215 4.470 0.000 0.000 0.301 1052 S C -1.509 173.256 174.600 0.275 0.000 1.092 1052 S CA -1.054 57.288 58.200 0.238 0.000 1.030 1052 S CB 1.170 64.453 63.200 0.139 0.000 1.031 1052 S HN 0.657 nan 8.310 nan 0.000 0.483 1053 W N 1.285 122.598 121.300 0.021 0.000 2.844 1053 W HA 0.666 5.326 4.660 0.000 0.000 0.340 1053 W C 0.179 176.700 176.519 0.003 0.000 1.093 1053 W CA -0.827 56.524 57.345 0.009 0.000 1.212 1053 W CB 1.810 31.274 29.460 0.006 0.000 1.422 1053 W HN 0.777 nan 8.180 nan 0.000 0.515 1054 R N 1.727 122.333 120.500 0.176 0.000 2.664 1054 R HA 0.919 5.259 4.340 0.000 0.000 0.286 1054 R C -0.738 175.638 176.300 0.127 0.000 0.967 1054 R CA -0.352 55.813 56.100 0.108 0.000 0.933 1054 R CB 1.561 31.882 30.300 0.035 0.000 1.146 1054 R HN 0.633 nan 8.270 nan 0.000 0.468 1055 A N 2.468 125.341 122.820 0.088 0.000 2.533 1055 A HA 0.525 4.845 4.320 0.000 0.000 0.293 1055 A C -1.546 176.061 177.584 0.039 0.000 1.228 1055 A CA -0.779 51.303 52.037 0.075 0.000 0.689 1055 A CB 1.647 20.699 19.000 0.086 0.000 1.303 1055 A HN 0.741 nan 8.150 nan 0.000 0.444 1056 E N -0.819 119.399 120.200 0.031 0.000 2.238 1056 E HA 0.601 4.951 4.350 0.000 0.000 0.267 1056 E C -2.065 174.542 176.600 0.011 0.000 0.887 1056 E CA -0.691 55.718 56.400 0.016 0.000 0.769 1056 E CB 2.483 32.191 29.700 0.014 0.000 1.187 1056 E HN 0.372 nan 8.360 nan 0.000 0.416 1057 L N 3.057 124.282 121.223 0.003 0.000 2.482 1057 L HA 0.278 4.618 4.340 0.000 0.000 0.269 1057 L C -1.158 175.710 176.870 -0.004 0.000 0.967 1057 L CA -0.070 54.770 54.840 -0.001 0.000 0.851 1057 L CB 1.313 43.369 42.059 -0.004 0.000 1.242 1057 L HN 0.502 nan 8.230 nan 0.000 0.404 1058 D N 4.135 124.534 120.400 -0.003 0.000 2.882 1058 D HA -0.199 4.441 4.640 0.000 0.000 0.229 1058 D C 1.136 177.434 176.300 -0.004 0.000 1.167 1058 D CA 1.802 55.799 54.000 -0.004 0.000 0.759 1058 D CB -1.029 39.767 40.800 -0.006 0.000 1.088 1058 D HN 1.229 nan 8.370 nan 0.000 0.425 1059 G N -1.112 107.687 108.800 -0.002 0.000 2.213 1059 G HA2 -0.322 3.638 3.960 0.000 0.000 0.236 1059 G HA3 -0.322 3.638 3.960 0.000 0.000 0.236 1059 G C 0.271 175.169 174.900 -0.004 0.000 0.991 1059 G CA 0.410 45.508 45.100 -0.002 0.000 0.629 1059 G HN 0.443 nan 8.290 nan 0.000 0.517 1060 K N 0.946 121.343 120.400 -0.006 0.000 2.159 1060 K HA 0.703 5.023 4.320 0.000 0.000 0.266 1060 K C 0.483 177.078 176.600 -0.008 0.000 0.975 1060 K CA -0.018 56.264 56.287 -0.009 0.000 0.865 1060 K CB 1.886 34.377 32.500 -0.014 0.000 1.087 1060 K HN 0.474 nan 8.250 nan 0.000 0.446 1061 A N 2.377 125.191 122.820 -0.010 0.000 2.477 1061 A HA 0.354 4.674 4.320 0.000 0.000 0.246 1061 A C -0.209 177.367 177.584 -0.014 0.000 1.078 1061 A CA -0.246 51.787 52.037 -0.007 0.000 0.770 1061 A CB 0.280 19.275 19.000 -0.009 0.000 1.011 1061 A HN 0.424 nan 8.150 nan 0.000 0.494 1062 V N 3.529 123.440 119.914 -0.004 0.000 2.876 1062 V HA 0.450 4.570 4.120 0.000 0.000 0.312 1062 V C -0.480 175.618 176.094 0.007 0.000 1.085 1062 V CA -0.700 61.593 62.300 -0.011 0.000 0.945 1062 V CB 1.885 33.704 31.823 -0.006 0.000 1.017 1062 V HN 0.738 nan 8.190 nan 0.000 0.428 1063 I N 2.995 123.562 120.570 -0.006 0.000 2.493 1063 I HA 0.584 4.754 4.170 0.000 0.000 0.298 1063 I C -0.440 175.702 176.117 0.041 0.000 0.998 1063 I CA -0.711 60.604 61.300 0.024 0.000 1.137 1063 I CB 1.970 39.971 38.000 0.001 0.000 1.310 1063 I HN 0.281 nan 8.210 nan 0.000 0.445 1064 V N 4.618 124.587 119.914 0.091 0.000 2.483 1064 V HA 0.426 4.546 4.120 0.000 0.000 0.297 1064 V C -0.533 175.640 176.094 0.131 0.000 1.027 1064 V CA -0.469 61.886 62.300 0.090 0.000 0.855 1064 V CB 2.085 33.949 31.823 0.068 0.000 0.995 1064 V HN 0.909 nan 8.190 nan 0.000 0.424 1065 C N 4.796 124.168 119.300 0.121 0.000 2.535 1065 C HA 0.734 5.195 4.460 0.000 0.000 0.319 1065 C C 0.543 175.627 174.990 0.156 0.000 1.171 1065 C CA -0.379 58.731 59.018 0.154 0.000 1.394 1065 C CB 1.408 29.233 27.740 0.141 0.000 1.990 1065 C HN 1.027 nan 8.230 nan 0.000 0.466 1066 S N 3.088 118.895 115.700 0.179 0.000 2.580 1066 S HA 0.374 4.844 4.470 0.000 0.000 0.274 1066 S C 0.925 175.678 174.600 0.255 0.000 1.329 1066 S CA 0.332 58.628 58.200 0.159 0.000 1.036 1066 S CB 1.352 64.614 63.200 0.104 0.000 0.919 1066 S HN 1.004 nan 8.310 nan 0.000 0.515 1067 T N -1.223 113.440 114.554 0.182 0.000 3.023 1067 T HA 0.531 4.881 4.350 0.000 0.000 0.249 1067 T C 1.189 175.994 174.700 0.176 0.000 1.050 1067 T CA 0.395 62.635 62.100 0.233 0.000 1.088 1067 T CB -0.864 68.075 68.868 0.119 0.000 0.946 1067 T HN 1.919 nan 8.240 nan 0.000 0.480 1068 G N 1.391 110.203 108.800 0.019 0.000 2.698 1068 G HA2 -0.059 3.901 3.960 0.000 0.000 0.225 1068 G HA3 -0.059 3.901 3.960 0.000 0.000 0.225 1068 G C -0.768 174.118 174.900 -0.024 0.000 1.345 1068 G CA -0.534 44.521 45.100 -0.074 0.000 0.871 1068 G HN 0.636 nan 8.290 nan 0.000 0.540 1069 I N 1.986 122.533 120.570 -0.038 0.000 2.365 1069 I HA 0.567 4.737 4.170 0.000 0.000 0.291 1069 I C 1.076 177.195 176.117 0.003 0.000 1.004 1069 I CA 0.687 61.978 61.300 -0.015 0.000 1.311 1069 I CB 0.901 38.885 38.000 -0.027 0.000 1.401 1069 I HN 2.133 nan 8.210 nan 0.000 0.491 1070 G N 3.786 112.595 108.800 0.016 0.000 2.699 1070 G HA2 -0.105 3.856 3.960 0.000 0.000 0.686 1070 G HA3 -0.105 3.856 3.960 0.000 0.000 0.686 1070 G C 0.566 175.482 174.900 0.027 0.000 1.301 1070 G CA -0.421 44.693 45.100 0.023 0.000 0.816 1070 G HN 0.968 nan 8.290 nan 0.000 0.595 1071 G N 0.280 109.099 108.800 0.031 0.000 2.421 1071 G HA2 0.083 4.043 3.960 0.000 0.000 0.216 1071 G HA3 0.083 4.043 3.960 0.000 0.000 0.216 1071 G C 0.166 175.088 174.900 0.037 0.000 1.171 1071 G CA 2.104 47.224 45.100 0.033 0.000 0.775 1071 G HN 0.704 nan 8.290 nan 0.000 0.543 1072 P HA -0.133 nan 4.420 nan 0.000 0.214 1072 P C 2.328 179.652 177.300 0.041 0.000 1.163 1072 P CA 1.940 65.056 63.100 0.028 0.000 0.889 1072 P CB -0.177 31.535 31.700 0.019 0.000 0.790 1073 S N -1.563 114.172 115.700 0.058 0.000 2.359 1073 S HA -0.177 4.293 4.470 0.000 0.000 0.224 1073 S C 1.938 176.635 174.600 0.161 0.000 1.035 1073 S CA 2.277 60.553 58.200 0.126 0.000 1.018 1073 S CB -1.416 61.824 63.200 0.068 0.000 0.876 1073 S HN 0.163 nan 8.310 nan 0.000 0.448 1074 T N 1.677 116.280 114.554 0.082 0.000 2.720 1074 T HA -0.133 4.217 4.350 0.000 0.000 0.268 1074 T C 2.231 176.903 174.700 -0.046 0.000 1.037 1074 T CA 1.778 63.897 62.100 0.031 0.000 1.144 1074 T CB -0.765 68.096 68.868 -0.013 0.000 0.864 1074 T HN 0.723 nan 8.240 nan 0.000 0.444 1075 S N 1.569 117.243 115.700 -0.043 0.000 2.370 1075 S HA -0.106 4.364 4.470 0.000 0.000 0.226 1075 S C 2.085 176.650 174.600 -0.058 0.000 1.033 1075 S CA 1.019 59.177 58.200 -0.070 0.000 1.011 1075 S CB -0.865 62.380 63.200 0.075 0.000 0.852 1075 S HN 0.522 nan 8.310 nan 0.000 0.457 1076 I N 2.298 122.838 120.570 -0.051 0.000 2.142 1076 I HA -0.173 3.997 4.170 0.000 0.000 0.240 1076 I C 3.156 179.110 176.117 -0.272 0.000 1.078 1076 I CA 1.290 62.502 61.300 -0.146 0.000 1.343 1076 I CB -0.791 37.075 38.000 -0.223 0.000 1.046 1076 I HN 0.469 nan 8.210 nan 0.000 0.405 1077 A N 0.330 122.988 122.820 -0.269 0.000 1.883 1077 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1077 A C 2.421 179.909 177.584 -0.160 0.000 1.186 1077 A CA 1.928 53.791 52.037 -0.290 0.000 0.624 1077 A CB -0.989 17.979 19.000 -0.053 0.000 0.822 1077 A HN 0.252 nan 8.150 nan 0.000 0.444 1078 V N -0.104 119.699 119.914 -0.186 0.000 2.307 1078 V HA -0.249 3.871 4.120 0.000 0.000 0.245 1078 V C 2.523 178.515 176.094 -0.170 0.000 1.045 1078 V CA 2.216 64.329 62.300 -0.312 0.000 1.024 1078 V CB -0.743 30.726 31.823 -0.590 0.000 0.651 1078 V HN 0.757 nan 8.190 nan 0.000 0.449 1079 E N 0.190 120.306 120.200 -0.141 0.000 2.070 1079 E HA -0.285 4.065 4.350 0.000 0.000 0.197 1079 E C 2.201 178.776 176.600 -0.042 0.000 1.004 1079 E CA 1.921 58.296 56.400 -0.041 0.000 0.805 1079 E CB -0.066 29.661 29.700 0.045 0.000 0.744 1079 E HN 0.706 nan 8.360 nan 0.000 0.451 1080 E N 0.078 120.192 120.200 -0.144 0.000 2.107 1080 E HA -0.135 4.215 4.350 0.000 0.000 0.191 1080 E C 2.309 178.841 176.600 -0.114 0.000 0.982 1080 E CA 0.683 56.941 56.400 -0.237 0.000 0.809 1080 E CB 0.008 29.442 29.700 -0.442 0.000 0.756 1080 E HN 0.316 nan 8.360 nan 0.000 0.459 1081 L N 0.619 121.827 121.223 -0.026 0.000 2.141 1081 L HA -0.148 4.192 4.340 0.000 0.000 0.209 1081 L C 2.555 179.499 176.870 0.124 0.000 1.094 1081 L CA 0.846 55.728 54.840 0.070 0.000 0.763 1081 L CB -0.405 41.777 42.059 0.205 0.000 0.908 1081 L HN 0.134 nan 8.230 nan 0.000 0.437 1082 A N -0.306 122.638 122.820 0.208 0.000 1.877 1082 A HA -0.259 4.061 4.320 0.000 0.000 0.216 1082 A C 2.222 179.851 177.584 0.076 0.000 1.186 1082 A CA 1.566 53.713 52.037 0.183 0.000 0.620 1082 A CB -0.488 18.615 19.000 0.171 0.000 0.822 1082 A HN 0.448 nan 8.150 nan 0.000 0.443 1083 Q N -1.074 118.751 119.800 0.042 0.000 2.135 1083 Q HA -0.131 4.209 4.340 0.000 0.000 0.204 1083 Q C 1.470 177.472 176.000 0.003 0.000 0.981 1083 Q CA 1.126 56.942 55.803 0.023 0.000 0.856 1083 Q CB -0.232 28.508 28.738 0.004 0.000 0.902 1083 Q HN 0.454 nan 8.270 nan 0.000 0.425 1084 L N -1.158 120.057 121.223 -0.014 0.000 2.610 1084 L HA 0.073 4.413 4.340 0.000 0.000 0.232 1084 L C 1.359 178.216 176.870 -0.020 0.000 1.149 1084 L CA 1.689 56.515 54.840 -0.024 0.000 0.872 1084 L CB -0.329 41.707 42.059 -0.039 0.000 0.992 1084 L HN 0.424 nan 8.230 nan 0.000 0.447 1085 G N -1.480 107.314 108.800 -0.011 0.000 2.184 1085 G HA2 -0.193 3.767 3.960 0.000 0.000 0.206 1085 G HA3 -0.193 3.767 3.960 0.000 0.000 0.206 1085 G C 0.415 175.283 174.900 -0.054 0.000 0.995 1085 G CA -0.300 44.788 45.100 -0.020 0.000 0.651 1085 G HN 0.097 nan 8.290 nan 0.000 0.511 1086 I N 0.872 121.388 120.570 -0.090 0.000 2.598 1086 I HA 0.267 4.437 4.170 0.000 0.000 0.284 1086 I C 1.476 177.456 176.117 -0.228 0.000 1.140 1086 I CA 0.647 61.800 61.300 -0.245 0.000 1.420 1086 I CB 0.923 38.660 38.000 -0.440 0.000 1.387 1086 I HN 0.218 nan 8.210 nan 0.000 0.553 1087 R N 2.410 122.767 120.500 -0.238 0.000 2.469 1087 R HA 0.178 4.518 4.340 0.000 0.000 0.250 1087 R C -0.254 175.992 176.300 -0.090 0.000 0.909 1087 R CA 0.250 56.298 56.100 -0.087 0.000 1.050 1087 R CB 0.729 31.007 30.300 -0.036 0.000 1.256 1087 R HN 0.597 nan 8.270 nan 0.000 0.550 1088 T N 0.388 114.778 114.554 -0.273 0.000 2.879 1088 T HA 0.477 4.827 4.350 0.000 0.000 0.290 1088 T C -1.254 173.231 174.700 -0.359 0.000 0.993 1088 T CA -0.377 61.624 62.100 -0.165 0.000 0.975 1088 T CB 1.374 70.187 68.868 -0.091 0.000 0.981 1088 T HN -0.120 nan 8.240 nan 0.000 0.439 1089 F N 2.704 122.648 119.950 -0.010 0.000 2.477 1089 F HA 0.559 5.086 4.527 0.000 0.000 0.335 1089 F C -0.272 175.522 175.800 -0.010 0.000 1.130 1089 F CA -1.010 56.983 58.000 -0.012 0.000 0.948 1089 F CB 1.332 40.320 39.000 -0.019 0.000 1.154 1089 F HN 0.212 nan 8.300 nan 0.000 0.439 1090 L N 4.105 125.406 121.223 0.130 0.000 2.294 1090 L HA 0.537 4.877 4.340 0.000 0.000 0.283 1090 L C -0.138 176.781 176.870 0.081 0.000 1.015 1090 L CA -0.891 53.997 54.840 0.081 0.000 0.831 1090 L CB 1.646 43.724 42.059 0.032 0.000 1.217 1090 L HN 0.502 nan 8.230 nan 0.000 0.420 1091 R N 3.121 123.664 120.500 0.070 0.000 2.298 1091 R HA 0.530 4.870 4.340 0.000 0.000 0.310 1091 R C -0.890 175.430 176.300 0.033 0.000 1.068 1091 R CA -0.171 55.960 56.100 0.052 0.000 0.957 1091 R CB 0.667 30.989 30.300 0.038 0.000 1.003 1091 R HN 0.381 nan 8.270 nan 0.000 0.454 1092 I N 2.586 123.173 120.570 0.029 0.000 2.404 1092 I HA 0.869 5.039 4.170 0.000 0.000 0.293 1092 I C 0.797 176.924 176.117 0.016 0.000 0.992 1092 I CA -0.676 60.634 61.300 0.018 0.000 1.149 1092 I CB 0.857 38.863 38.000 0.010 0.000 1.315 1092 I HN 0.862 nan 8.210 nan 0.000 0.446 1093 G N 1.841 110.649 108.800 0.014 0.000 2.708 1093 G HA2 0.811 4.771 3.960 0.000 0.000 0.289 1093 G HA3 0.811 4.771 3.960 0.000 0.000 0.289 1093 G C -0.704 174.204 174.900 0.014 0.000 1.416 1093 G CA -0.223 44.885 45.100 0.014 0.000 0.829 1093 G HN 0.970 nan 8.290 nan 0.000 0.480 1094 T N -2.448 112.116 114.554 0.015 0.000 2.887 1094 T HA 0.775 5.125 4.350 0.000 0.000 0.288 1094 T C -0.463 174.254 174.700 0.027 0.000 1.021 1094 T CA -0.741 61.370 62.100 0.018 0.000 1.000 1094 T CB 2.159 71.034 68.868 0.011 0.000 1.034 1094 T HN 0.831 nan 8.240 nan 0.000 0.467 1095 T N 0.286 114.857 114.554 0.029 0.000 2.843 1095 T HA 0.707 5.057 4.350 0.000 0.000 0.302 1095 T C -0.059 174.659 174.700 0.029 0.000 1.232 1095 T CA -0.253 61.867 62.100 0.032 0.000 1.009 1095 T CB 1.382 70.264 68.868 0.023 0.000 1.254 1095 T HN 1.128 nan 8.240 nan 0.000 0.504 1096 G N 0.621 109.440 108.800 0.030 0.000 2.477 1096 G HA2 0.700 4.660 3.960 0.000 0.000 0.304 1096 G HA3 0.700 4.660 3.960 0.000 0.000 0.304 1096 G C -0.457 174.449 174.900 0.009 0.000 1.175 1096 G CA -0.154 44.960 45.100 0.023 0.000 0.907 1096 G HN 0.956 nan 8.290 nan 0.000 0.509 1097 A N -0.362 122.457 122.820 -0.002 0.000 2.299 1097 A HA 0.695 5.015 4.320 0.000 0.000 0.332 1097 A C 0.271 177.842 177.584 -0.021 0.000 1.131 1097 A CA -0.566 51.453 52.037 -0.030 0.000 0.844 1097 A CB 1.677 20.646 19.000 -0.053 0.000 1.251 1097 A HN 0.982 nan 8.150 nan 0.000 0.486 1098 I N 0.005 120.543 120.570 -0.052 0.000 4.240 1098 I HA 0.172 4.342 4.170 0.000 0.000 0.331 1098 I C -0.078 176.023 176.117 -0.026 0.000 1.381 1098 I CA 0.180 61.458 61.300 -0.036 0.000 1.136 1098 I CB 0.109 38.035 38.000 -0.122 0.000 1.137 1098 I HN 0.703 nan 8.210 nan 0.000 0.411 1099 Q N 0.627 120.401 119.800 -0.044 0.000 2.293 1099 Q HA 0.370 4.710 4.340 0.000 0.000 0.261 1099 Q C -1.854 174.140 176.000 -0.009 0.000 0.960 1099 Q CA -2.008 53.778 55.803 -0.029 0.000 0.882 1099 Q CB 1.556 30.259 28.738 -0.058 0.000 1.275 1099 Q HN 0.098 nan 8.270 nan 0.000 0.445 1100 P HA -0.118 nan 4.420 nan 0.000 0.220 1100 P C 0.712 178.067 177.300 0.091 0.000 1.148 1100 P CA 1.234 64.364 63.100 0.051 0.000 0.803 1100 P CB 0.297 32.032 31.700 0.059 0.000 0.782 1101 H N -1.364 117.683 119.070 -0.039 0.000 2.539 1101 H HA 0.230 4.786 4.556 0.000 0.000 0.267 1101 H C 0.514 175.808 175.328 -0.056 0.000 0.982 1101 H CA -0.064 55.969 56.048 -0.026 0.000 1.146 1101 H CB -0.662 29.095 29.762 -0.008 0.000 1.382 1101 H HN 0.056 nan 8.280 nan 0.000 0.577 1102 I N 1.707 122.218 120.570 -0.099 0.000 2.325 1102 I HA 0.096 4.266 4.170 0.000 0.000 0.291 1102 I C -0.223 175.847 176.117 -0.078 0.000 1.019 1102 I CA -0.474 60.699 61.300 -0.212 0.000 1.302 1102 I CB 0.794 38.586 38.000 -0.346 0.000 1.401 1102 I HN 0.139 nan 8.210 nan 0.000 0.485 1103 N N 5.231 123.920 118.700 -0.019 0.000 2.466 1103 N HA 0.304 5.045 4.740 0.000 0.000 0.294 1103 N C -0.511 175.010 175.510 0.019 0.000 1.129 1103 N CA -0.556 52.491 53.050 -0.005 0.000 0.931 1103 N CB 2.207 40.686 38.487 -0.014 0.000 1.193 1103 N HN 0.351 nan 8.380 nan 0.000 0.500 1104 V N -1.145 118.778 119.914 0.014 0.000 2.617 1104 V HA 0.409 4.529 4.120 0.000 0.000 0.304 1104 V C 1.367 177.481 176.094 0.033 0.000 1.040 1104 V CA 0.452 62.766 62.300 0.023 0.000 1.149 1104 V CB -0.015 31.819 31.823 0.018 0.000 0.914 1104 V HN 0.985 nan 8.190 nan 0.000 0.487 1105 G N 2.659 111.486 108.800 0.045 0.000 2.234 1105 G HA2 -0.199 3.761 3.960 0.000 0.000 0.235 1105 G HA3 -0.199 3.761 3.960 0.000 0.000 0.235 1105 G C -0.070 174.871 174.900 0.069 0.000 0.997 1105 G CA 0.166 45.304 45.100 0.064 0.000 0.623 1105 G HN 0.873 nan 8.290 nan 0.000 0.514 1106 D N -0.056 120.387 120.400 0.072 0.000 2.371 1106 D HA 0.533 5.173 4.640 0.000 0.000 0.242 1106 D C 0.478 176.833 176.300 0.093 0.000 1.218 1106 D CA 0.118 54.175 54.000 0.096 0.000 0.945 1106 D CB 1.589 42.516 40.800 0.211 0.000 1.137 1106 D HN 0.244 nan 8.370 nan 0.000 0.464 1107 V N 1.178 121.143 119.914 0.085 0.000 2.604 1107 V HA 0.392 4.512 4.120 0.000 0.000 0.305 1107 V C -0.250 175.898 176.094 0.091 0.000 1.043 1107 V CA -0.771 61.567 62.300 0.063 0.000 0.888 1107 V CB 1.621 33.456 31.823 0.021 0.000 0.995 1107 V HN 0.269 nan 8.190 nan 0.000 0.429 1108 L N 4.792 126.060 121.223 0.074 0.000 2.313 1108 L HA 0.683 5.023 4.340 0.000 0.000 0.283 1108 L C -0.768 176.124 176.870 0.037 0.000 1.013 1108 L CA -0.815 54.069 54.840 0.074 0.000 0.816 1108 L CB 1.911 44.001 42.059 0.052 0.000 1.236 1108 L HN 0.315 nan 8.230 nan 0.000 0.419 1109 V N 1.681 121.613 119.914 0.031 0.000 2.384 1109 V HA 0.311 4.431 4.120 0.000 0.000 0.287 1109 V C 0.216 176.318 176.094 0.013 0.000 1.020 1109 V CA -0.405 61.902 62.300 0.012 0.000 0.850 1109 V CB 1.797 33.619 31.823 -0.003 0.000 0.987 1109 V HN 0.736 nan 8.190 nan 0.000 0.436 1110 T N 3.445 118.002 114.554 0.006 0.000 2.728 1110 T HA 0.188 4.538 4.350 0.000 0.000 0.296 1110 T C 1.351 176.054 174.700 0.005 0.000 0.940 1110 T CA 0.266 62.366 62.100 0.001 0.000 1.013 1110 T CB 1.150 70.013 68.868 -0.008 0.000 0.912 1110 T HN 0.984 nan 8.240 nan 0.000 0.484 1111 T N 1.027 115.585 114.554 0.007 0.000 2.896 1111 T HA 0.431 4.781 4.350 0.000 0.000 0.263 1111 T C 0.750 175.455 174.700 0.009 0.000 1.050 1111 T CA 0.347 62.457 62.100 0.017 0.000 1.140 1111 T CB 0.151 69.034 68.868 0.025 0.000 0.877 1111 T HN 0.717 nan 8.240 nan 0.000 0.457 1112 A N -0.153 122.662 122.820 -0.008 0.000 2.601 1112 A HA 0.692 5.013 4.320 0.000 0.000 0.291 1112 A C -1.015 176.546 177.584 -0.037 0.000 1.075 1112 A CA -0.817 51.209 52.037 -0.018 0.000 0.671 1112 A CB 1.405 20.390 19.000 -0.025 0.000 1.277 1112 A HN 0.201 nan 8.150 nan 0.000 0.417 1113 S N -0.266 115.410 115.700 -0.041 0.000 2.513 1113 S HA 0.574 5.044 4.470 0.000 0.000 0.299 1113 S C -0.433 174.114 174.600 -0.089 0.000 1.087 1113 S CA -0.491 57.668 58.200 -0.068 0.000 1.012 1113 S CB 1.645 64.816 63.200 -0.049 0.000 1.044 1113 S HN 0.859 nan 8.310 nan 0.000 0.485 1114 V N 3.925 123.737 119.914 -0.170 0.000 2.521 1114 V HA 0.204 4.324 4.120 0.000 0.000 0.286 1114 V C 0.706 176.717 176.094 -0.140 0.000 1.034 1114 V CA 0.049 62.213 62.300 -0.227 0.000 1.045 1114 V CB 0.032 31.521 31.823 -0.557 0.000 0.974 1114 V HN 0.686 nan 8.190 nan 0.000 0.480 1115 R N 5.528 125.998 120.500 -0.050 0.000 2.870 1115 R HA 0.320 4.660 4.340 0.000 0.000 0.254 1115 R C -0.281 176.057 176.300 0.064 0.000 1.392 1115 R CA -0.184 55.928 56.100 0.019 0.000 1.322 1115 R CB 0.186 30.520 30.300 0.057 0.000 1.205 1115 R HN 0.661 nan 8.270 nan 0.000 0.597 1116 L N 2.396 123.661 121.223 0.069 0.000 3.001 1116 L HA 0.150 4.490 4.340 0.000 0.000 0.234 1116 L C 0.290 177.249 176.870 0.148 0.000 1.321 1116 L CA -0.210 54.735 54.840 0.175 0.000 1.138 1116 L CB -0.615 41.589 42.059 0.241 0.000 1.503 1116 L HN 0.440 nan 8.230 nan 0.000 0.487 1117 D N -1.548 118.924 120.400 0.119 0.000 2.614 1117 D HA 0.334 4.974 4.640 0.000 0.000 0.264 1117 D C 0.532 176.907 176.300 0.125 0.000 1.092 1117 D CA -0.271 53.793 54.000 0.106 0.000 1.071 1117 D CB 1.811 42.660 40.800 0.082 0.000 1.443 1117 D HN -0.058 nan 8.370 nan 0.000 0.528 1118 G N -0.856 108.023 108.800 0.131 0.000 2.727 1118 G HA2 0.250 4.210 3.960 0.000 0.000 0.203 1118 G HA3 0.250 4.210 3.960 0.000 0.000 0.203 1118 G C 1.296 176.343 174.900 0.244 0.000 1.117 1118 G CA 0.666 45.864 45.100 0.164 0.000 0.817 1118 G HN 0.625 nan 8.290 nan 0.000 0.553 1119 A N 1.724 124.676 122.820 0.219 0.000 1.972 1119 A HA -0.008 4.312 4.320 0.000 0.000 0.219 1119 A C 2.665 180.499 177.584 0.416 0.000 1.169 1119 A CA 2.441 54.645 52.037 0.277 0.000 0.635 1119 A CB -0.680 18.418 19.000 0.163 0.000 0.810 1119 A HN 0.761 nan 8.150 nan 0.000 0.446 1120 S N 0.186 116.064 115.700 0.297 0.000 2.400 1120 S HA -0.123 4.347 4.470 0.000 0.000 0.232 1120 S C 1.748 176.523 174.600 0.291 0.000 1.025 1120 S CA 1.475 59.854 58.200 0.299 0.000 0.993 1120 S CB -0.753 62.549 63.200 0.170 0.000 0.808 1120 S HN 0.457 nan 8.310 nan 0.000 0.478 1121 L N 0.490 121.830 121.223 0.195 0.000 2.362 1121 L HA -0.027 4.313 4.340 0.000 0.000 0.219 1121 L C 2.144 178.963 176.870 -0.085 0.000 1.134 1121 L CA 1.103 55.969 54.840 0.044 0.000 0.807 1121 L CB -0.597 41.447 42.059 -0.026 0.000 0.927 1121 L HN 0.395 nan 8.230 nan 0.000 0.447 1122 H N -2.091 116.937 119.070 -0.070 0.000 2.547 1122 H HA 0.002 4.558 4.556 0.000 0.000 0.272 1122 H C 1.332 176.324 175.328 -0.560 0.000 0.989 1122 H CA 1.048 56.897 56.048 -0.332 0.000 1.214 1122 H CB 0.126 29.611 29.762 -0.462 0.000 1.389 1122 H HN 0.239 nan 8.280 nan 0.000 0.577 1123 F N -0.845 119.127 119.950 0.038 0.000 2.653 1123 F HA 0.539 5.066 4.527 0.000 0.000 0.288 1123 F C 0.948 176.661 175.800 -0.145 0.000 1.121 1123 F CA 0.323 58.295 58.000 -0.047 0.000 1.384 1123 F CB 0.833 39.802 39.000 -0.051 0.000 1.115 1123 F HN 0.042 nan 8.300 nan 0.000 0.599 1124 A N -0.074 122.752 122.820 0.011 0.000 2.604 1124 A HA 0.625 4.945 4.320 0.000 0.000 0.295 1124 A C -2.781 174.807 177.584 0.005 0.000 1.067 1124 A CA -1.392 50.581 52.037 -0.106 0.000 0.683 1124 A CB 0.487 19.248 19.000 -0.399 0.000 1.281 1124 A HN -0.197 nan 8.150 nan 0.000 0.407 1125 P HA 0.164 nan 4.420 nan 0.000 0.271 1125 P C 0.872 178.240 177.300 0.112 0.000 1.233 1125 P CA -0.280 62.852 63.100 0.053 0.000 0.789 1125 P CB 0.384 32.113 31.700 0.049 0.000 0.951 1126 M N 1.043 120.694 119.600 0.086 0.000 2.267 1126 M HA -0.180 4.300 4.480 0.000 0.000 0.263 1126 M C 1.423 177.790 176.300 0.111 0.000 1.063 1126 M CA 1.891 57.250 55.300 0.098 0.000 1.090 1126 M CB -1.227 31.415 32.600 0.070 0.000 1.392 1126 M HN 0.289 nan 8.290 nan 0.000 0.422 1127 E N -0.782 119.483 120.200 0.109 0.000 2.153 1127 E HA -0.075 4.275 4.350 0.000 0.000 0.194 1127 E C 0.251 176.921 176.600 0.116 0.000 0.988 1127 E CA 0.622 57.079 56.400 0.095 0.000 0.811 1127 E CB -0.402 29.349 29.700 0.085 0.000 0.746 1127 E HN 0.497 nan 8.360 nan 0.000 0.466 1128 F N 2.481 122.447 119.950 0.027 0.000 2.538 1128 F HA 0.118 4.645 4.527 0.000 0.000 0.371 1128 F C -1.938 173.878 175.800 0.027 0.000 1.087 1128 F CA -2.549 55.469 58.000 0.029 0.000 1.250 1128 F CB 0.529 39.552 39.000 0.037 0.000 1.110 1128 F HN -0.100 nan 8.300 nan 0.000 0.570 1129 P HA 0.163 nan 4.420 nan 0.000 0.280 1129 P C -1.335 175.927 177.300 -0.062 0.000 1.244 1129 P CA -0.441 62.531 63.100 -0.213 0.000 0.784 1129 P CB 1.283 32.806 31.700 -0.296 0.000 0.913 1130 A N 3.945 126.786 122.820 0.035 0.000 2.990 1130 A HA 0.292 4.612 4.320 0.000 0.000 0.282 1130 A C 0.153 177.752 177.584 0.026 0.000 1.688 1130 A CA -0.365 51.718 52.037 0.076 0.000 1.391 1130 A CB -0.822 18.212 19.000 0.058 0.000 1.112 1130 A HN 0.459 nan 8.150 nan 0.000 0.588 1131 V N 2.011 121.937 119.914 0.020 0.000 2.532 1131 V HA 0.705 4.825 4.120 0.000 0.000 0.295 1131 V C 0.627 176.744 176.094 0.039 0.000 1.041 1131 V CA -0.180 62.122 62.300 0.003 0.000 0.926 1131 V CB 1.460 33.255 31.823 -0.046 0.000 0.992 1131 V HN 0.932 nan 8.190 nan 0.000 0.457 1132 A N 4.202 127.044 122.820 0.037 0.000 2.304 1132 A HA 0.433 4.753 4.320 0.000 0.000 0.271 1132 A C -0.009 177.620 177.584 0.074 0.000 1.091 1132 A CA -0.284 51.782 52.037 0.050 0.000 0.812 1132 A CB 0.262 19.284 19.000 0.036 0.000 1.056 1132 A HN 1.013 nan 8.150 nan 0.000 0.489 1133 D N -0.183 120.264 120.400 0.080 0.000 2.389 1133 D HA 0.135 4.775 4.640 0.000 0.000 0.247 1133 D C 0.649 177.020 176.300 0.119 0.000 1.128 1133 D CA -0.082 53.980 54.000 0.104 0.000 0.884 1133 D CB 0.197 41.050 40.800 0.090 0.000 1.194 1133 D HN 0.376 nan 8.370 nan 0.000 0.441 1134 F N 3.975 123.934 119.950 0.015 0.000 2.171 1134 F HA -0.066 4.461 4.527 0.000 0.000 0.300 1134 F C 1.950 177.755 175.800 0.009 0.000 1.090 1134 F CA 1.638 59.644 58.000 0.009 0.000 1.293 1134 F CB -0.285 38.719 39.000 0.006 0.000 1.013 1134 F HN 0.476 nan 8.300 nan 0.000 0.486 1135 A N -0.588 122.203 122.820 -0.049 0.000 1.898 1135 A HA -0.166 4.155 4.320 0.000 0.000 0.216 1135 A C 2.342 179.835 177.584 -0.152 0.000 1.181 1135 A CA 1.638 53.587 52.037 -0.147 0.000 0.620 1135 A CB -1.618 17.380 19.000 -0.004 0.000 0.819 1135 A HN 0.550 nan 8.150 nan 0.000 0.442 1136 C N -1.050 118.206 119.300 -0.073 0.000 2.453 1136 C HA -0.072 4.388 4.460 0.000 0.000 0.277 1136 C C 3.045 177.985 174.990 -0.085 0.000 1.262 1136 C CA 1.523 60.509 59.018 -0.053 0.000 1.718 1136 C CB -1.489 26.250 27.740 -0.001 0.000 2.031 1136 C HN 0.640 nan 8.230 nan 0.000 0.480 1137 T N 0.660 115.153 114.554 -0.101 0.000 2.684 1137 T HA -0.175 4.175 4.350 0.000 0.000 0.267 1137 T C 1.790 176.385 174.700 -0.176 0.000 1.036 1137 T CA 2.221 64.256 62.100 -0.107 0.000 1.148 1137 T CB -0.576 68.251 68.868 -0.070 0.000 0.863 1137 T HN 0.594 nan 8.240 nan 0.000 0.436 1138 T N 1.979 116.334 114.554 -0.330 0.000 2.708 1138 T HA -0.047 4.303 4.350 0.000 0.000 0.266 1138 T C 2.410 176.993 174.700 -0.194 0.000 1.037 1138 T CA 1.228 63.120 62.100 -0.347 0.000 1.146 1138 T CB -0.587 67.928 68.868 -0.589 0.000 0.865 1138 T HN 0.446 nan 8.240 nan 0.000 0.435 1139 A N 1.094 123.818 122.820 -0.161 0.000 1.902 1139 A HA 0.005 4.325 4.320 0.000 0.000 0.217 1139 A C 2.312 179.851 177.584 -0.075 0.000 1.181 1139 A CA 1.231 53.209 52.037 -0.099 0.000 0.623 1139 A CB -0.839 18.114 19.000 -0.077 0.000 0.818 1139 A HN 0.472 nan 8.150 nan 0.000 0.443 1140 L N -0.671 120.510 121.223 -0.070 0.000 2.017 1140 L HA -0.157 4.183 4.340 0.000 0.000 0.208 1140 L C 2.539 179.378 176.870 -0.052 0.000 1.073 1140 L CA 1.118 55.928 54.840 -0.049 0.000 0.745 1140 L CB -0.605 41.432 42.059 -0.037 0.000 0.894 1140 L HN 0.239 nan 8.230 nan 0.000 0.432 1141 V N -0.178 119.697 119.914 -0.066 0.000 2.343 1141 V HA -0.287 3.833 4.120 0.000 0.000 0.247 1141 V C 2.364 178.422 176.094 -0.060 0.000 1.051 1141 V CA 1.865 64.128 62.300 -0.061 0.000 1.036 1141 V CB -0.470 31.313 31.823 -0.066 0.000 0.654 1141 V HN 0.452 nan 8.190 nan 0.000 0.451 1142 E N -0.027 120.133 120.200 -0.067 0.000 2.106 1142 E HA -0.130 4.220 4.350 0.000 0.000 0.192 1142 E C 2.300 178.871 176.600 -0.049 0.000 0.984 1142 E CA 1.149 57.515 56.400 -0.057 0.000 0.806 1142 E CB -0.288 29.376 29.700 -0.060 0.000 0.750 1142 E HN 0.604 nan 8.360 nan 0.000 0.458 1143 A N 1.269 124.061 122.820 -0.047 0.000 1.930 1143 A HA -0.046 4.274 4.320 0.000 0.000 0.217 1143 A C 2.327 179.887 177.584 -0.041 0.000 1.175 1143 A CA 1.438 53.451 52.037 -0.039 0.000 0.627 1143 A CB -0.452 18.529 19.000 -0.033 0.000 0.815 1143 A HN 0.287 nan 8.150 nan 0.000 0.443 1144 A N 0.078 122.872 122.820 -0.044 0.000 1.873 1144 A HA -0.140 4.180 4.320 0.000 0.000 0.215 1144 A C 2.114 179.661 177.584 -0.062 0.000 1.186 1144 A CA 1.672 53.679 52.037 -0.050 0.000 0.616 1144 A CB -0.412 18.560 19.000 -0.047 0.000 0.823 1144 A HN 0.475 nan 8.150 nan 0.000 0.442 1145 K N 0.044 120.409 120.400 -0.058 0.000 2.148 1145 K HA -0.056 4.264 4.320 0.000 0.000 0.204 1145 K C 2.227 178.795 176.600 -0.054 0.000 1.050 1145 K CA 1.372 57.625 56.287 -0.058 0.000 0.942 1145 K CB -0.193 32.276 32.500 -0.051 0.000 0.724 1145 K HN 0.427 nan 8.250 nan 0.000 0.446 1146 S N 1.135 116.806 115.700 -0.049 0.000 2.402 1146 S HA -0.023 4.447 4.470 0.000 0.000 0.229 1146 S C 1.747 176.316 174.600 -0.051 0.000 1.021 1146 S CA 0.663 58.837 58.200 -0.044 0.000 0.974 1146 S CB 0.008 63.186 63.200 -0.037 0.000 0.800 1146 S HN 0.182 nan 8.310 nan 0.000 0.484 1147 I N 0.669 121.201 120.570 -0.063 0.000 3.059 1147 I HA 0.063 4.233 4.170 0.000 0.000 0.270 1147 I C 1.804 177.854 176.117 -0.112 0.000 1.238 1147 I CA 0.857 62.105 61.300 -0.086 0.000 1.478 1147 I CB -1.342 36.603 38.000 -0.093 0.000 1.097 1147 I HN 0.449 nan 8.210 nan 0.000 0.455 1148 G N 1.528 110.272 108.800 -0.094 0.000 2.137 1148 G HA2 -0.191 3.769 3.960 0.000 0.000 0.237 1148 G HA3 -0.191 3.769 3.960 0.000 0.000 0.237 1148 G C 0.502 175.335 174.900 -0.112 0.000 1.002 1148 G CA 0.238 45.281 45.100 -0.095 0.000 0.702 1148 G HN 0.634 nan 8.290 nan 0.000 0.515 1149 A N -0.051 122.700 122.820 -0.115 0.000 2.371 1149 A HA 0.717 5.037 4.320 0.000 0.000 0.257 1149 A C 0.792 178.316 177.584 -0.100 0.000 1.089 1149 A CA 0.739 52.711 52.037 -0.109 0.000 0.794 1149 A CB 0.488 19.433 19.000 -0.092 0.000 1.029 1149 A HN 0.790 nan 8.150 nan 0.000 0.488 1150 T N 2.962 117.457 114.554 -0.098 0.000 2.727 1150 T HA 0.414 4.764 4.350 0.000 0.000 0.295 1150 T C 0.067 174.634 174.700 -0.222 0.000 0.915 1150 T CA 0.441 62.454 62.100 -0.146 0.000 1.066 1150 T CB -0.053 68.751 68.868 -0.106 0.000 0.891 1150 T HN 0.632 nan 8.240 nan 0.000 0.516 1151 T N 4.559 118.932 114.554 -0.302 0.000 2.829 1151 T HA 0.401 4.751 4.350 0.000 0.000 0.280 1151 T C -0.545 173.895 174.700 -0.433 0.000 0.999 1151 T CA -0.799 61.145 62.100 -0.259 0.000 0.983 1151 T CB 0.878 69.670 68.868 -0.127 0.000 0.968 1151 T HN 0.523 nan 8.240 nan 0.000 0.446 1152 H N 1.139 120.206 119.070 -0.006 0.000 2.529 1152 H HA 0.535 5.091 4.556 0.000 0.000 0.348 1152 H C -1.021 174.305 175.328 -0.004 0.000 1.079 1152 H CA -0.539 55.509 56.048 -0.000 0.000 1.198 1152 H CB 1.801 31.564 29.762 0.002 0.000 1.521 1152 H HN 0.275 nan 8.280 nan 0.000 0.514 1153 V N 2.538 122.510 119.914 0.096 0.000 2.409 1153 V HA 0.714 4.834 4.120 0.000 0.000 0.291 1153 V C 0.521 176.645 176.094 0.050 0.000 1.020 1153 V CA -0.299 62.032 62.300 0.052 0.000 0.848 1153 V CB 1.303 33.142 31.823 0.026 0.000 0.990 1153 V HN 1.088 nan 8.190 nan 0.000 0.430 1154 G N 3.123 111.942 108.800 0.033 0.000 2.356 1154 G HA2 0.402 4.362 3.960 0.000 0.000 0.281 1154 G HA3 0.402 4.362 3.960 0.000 0.000 0.281 1154 G C -1.388 173.509 174.900 -0.006 0.000 1.246 1154 G CA -0.481 44.629 45.100 0.017 0.000 0.889 1154 G HN 0.468 nan 8.290 nan 0.000 0.486 1155 V N 0.846 120.746 119.914 -0.022 0.000 2.583 1155 V HA 0.573 4.693 4.120 0.000 0.000 0.287 1155 V C 0.424 176.465 176.094 -0.089 0.000 1.051 1155 V CA 0.070 62.338 62.300 -0.053 0.000 1.010 1155 V CB 1.250 33.040 31.823 -0.056 0.000 0.988 1155 V HN 0.742 nan 8.190 nan 0.000 0.478 1156 T N 3.818 118.308 114.554 -0.107 0.000 2.855 1156 T HA 0.641 4.991 4.350 0.000 0.000 0.281 1156 T C -0.024 174.552 174.700 -0.208 0.000 1.007 1156 T CA -0.260 61.756 62.100 -0.139 0.000 1.009 1156 T CB 1.586 70.404 68.868 -0.083 0.000 0.983 1156 T HN 0.908 nan 8.240 nan 0.000 0.455 1157 A N 2.348 124.990 122.820 -0.297 0.000 2.276 1157 A HA 0.620 4.940 4.320 0.000 0.000 0.300 1157 A C 0.327 177.841 177.584 -0.117 0.000 1.235 1157 A CA -0.439 51.385 52.037 -0.355 0.000 0.867 1157 A CB 0.398 19.009 19.000 -0.649 0.000 1.137 1157 A HN 0.628 nan 8.150 nan 0.000 0.527 1158 S N 1.919 117.561 115.700 -0.096 0.000 2.474 1158 S HA 0.571 5.041 4.470 0.000 0.000 0.321 1158 S C -0.147 174.452 174.600 -0.003 0.000 1.080 1158 S CA -0.326 57.859 58.200 -0.026 0.000 1.106 1158 S CB 0.543 63.728 63.200 -0.026 0.000 0.984 1158 S HN 0.997 nan 8.310 nan 0.000 0.464 1159 S N 3.134 118.832 115.700 -0.004 0.000 2.532 1159 S HA 0.395 4.865 4.470 0.000 0.000 0.301 1159 S C 0.240 174.823 174.600 -0.028 0.000 1.083 1159 S CA -0.626 57.552 58.200 -0.036 0.000 1.025 1159 S CB 1.340 64.453 63.200 -0.146 0.000 1.056 1159 S HN 0.705 nan 8.310 nan 0.000 0.494 1160 D N 1.803 122.196 120.400 -0.011 0.000 2.363 1160 D HA 0.119 4.760 4.640 0.000 0.000 0.226 1160 D C 0.618 176.914 176.300 -0.007 0.000 1.020 1160 D CA 0.815 54.822 54.000 0.013 0.000 0.892 1160 D CB 0.208 41.037 40.800 0.049 0.000 0.900 1160 D HN 0.712 nan 8.370 nan 0.000 0.531 1161 T N -4.024 110.489 114.554 -0.068 0.000 2.903 1161 T HA 0.272 4.622 4.350 0.000 0.000 0.299 1161 T C 0.431 175.073 174.700 -0.096 0.000 1.093 1161 T CA -0.861 61.212 62.100 -0.045 0.000 1.002 1161 T CB 1.118 69.951 68.868 -0.059 0.000 1.127 1161 T HN -0.141 nan 8.240 nan 0.000 0.488 1162 F N 0.387 120.223 119.950 -0.189 0.000 2.416 1162 F HA 0.193 4.720 4.527 0.000 0.000 0.296 1162 F C 0.965 176.449 175.800 -0.528 0.000 1.099 1162 F CA 0.791 58.568 58.000 -0.373 0.000 1.427 1162 F CB -0.044 38.693 39.000 -0.438 0.000 1.079 1162 F HN 0.703 nan 8.300 nan 0.000 0.536 1163 Y N 0.420 120.684 120.300 -0.060 0.000 2.382 1163 Y HA 0.152 4.702 4.550 0.000 0.000 0.263 1163 Y C -0.511 175.223 175.900 -0.277 0.000 1.103 1163 Y CA 0.368 58.391 58.100 -0.129 0.000 1.223 1163 Y CB -1.811 36.656 38.460 0.011 0.000 1.124 1163 Y HN -0.221 nan 8.280 nan 0.000 0.501 1164 P HA -0.044 nan 4.420 nan 0.000 0.221 1164 P C 1.385 178.401 177.300 -0.473 0.000 1.150 1164 P CA 1.988 64.961 63.100 -0.211 0.000 0.800 1164 P CB -0.112 31.533 31.700 -0.092 0.000 0.787 1165 G N 0.036 108.430 108.800 -0.677 0.000 2.572 1165 G HA2 -0.160 3.800 3.960 0.000 0.000 0.216 1165 G HA3 -0.160 3.800 3.960 0.000 0.000 0.216 1165 G C 1.329 175.752 174.900 -0.794 0.000 1.133 1165 G CA 0.177 44.575 45.100 -1.171 0.000 0.791 1165 G HN 0.352 nan 8.290 nan 0.000 0.538 1166 Q N -0.385 118.945 119.800 -0.784 0.000 2.204 1166 Q HA 0.189 4.529 4.340 0.000 0.000 0.209 1166 Q C 0.033 175.664 176.000 -0.615 0.000 0.861 1166 Q CA -0.268 54.828 55.803 -1.178 0.000 0.971 1166 Q CB 0.453 28.439 28.738 -1.254 0.000 1.095 1166 Q HN 0.589 nan 8.270 nan 0.000 0.486 1167 E N 1.838 121.813 120.200 -0.375 0.000 2.238 1167 E HA -0.235 4.115 4.350 0.000 0.000 0.219 1167 E C -0.944 175.446 176.600 -0.350 0.000 1.275 1167 E CA 0.141 56.371 56.400 -0.282 0.000 0.714 1167 E CB -0.349 29.325 29.700 -0.044 0.000 1.154 1167 E HN 0.344 nan 8.360 nan 0.000 0.363 1168 R N 0.156 120.456 120.500 -0.334 0.000 2.308 1168 R HA 0.187 4.527 4.340 0.000 0.000 0.305 1168 R C 0.301 176.461 176.300 -0.234 0.000 1.053 1168 R CA -0.123 55.874 56.100 -0.172 0.000 0.957 1168 R CB 0.472 30.754 30.300 -0.030 0.000 1.022 1168 R HN 0.231 nan 8.270 nan 0.000 0.461 1169 Y N -0.243 120.094 120.300 0.063 0.000 2.442 1169 Y HA 0.079 4.629 4.550 0.000 0.000 0.250 1169 Y C 0.296 176.225 175.900 0.048 0.000 1.113 1169 Y CA -0.166 57.963 58.100 0.048 0.000 1.273 1169 Y CB 0.770 39.248 38.460 0.031 0.000 1.138 1169 Y HN 0.441 nan 8.280 nan 0.000 0.522 1170 D N 1.596 122.115 120.400 0.198 0.000 2.713 1170 D HA 0.083 4.723 4.640 0.000 0.000 0.229 1170 D C 0.377 176.745 176.300 0.114 0.000 1.136 1170 D CA 0.317 54.404 54.000 0.146 0.000 1.010 1170 D CB -0.064 40.820 40.800 0.141 0.000 1.084 1170 D HN 0.244 nan 8.370 nan 0.000 0.495 1171 T N -3.233 111.359 114.554 0.064 0.000 2.858 1171 T HA 0.171 4.521 4.350 0.000 0.000 0.285 1171 T C 1.088 175.797 174.700 0.014 0.000 1.052 1171 T CA -0.855 61.234 62.100 -0.019 0.000 1.009 1171 T CB 1.136 69.971 68.868 -0.055 0.000 1.241 1171 T HN 0.085 nan 8.240 nan 0.000 0.542 1172 Y N 1.429 121.670 120.300 -0.098 0.000 2.165 1172 Y HA -0.100 4.450 4.550 0.000 0.000 0.286 1172 Y C 2.550 178.435 175.900 -0.025 0.000 1.155 1172 Y CA 2.440 60.504 58.100 -0.059 0.000 1.164 1172 Y CB -0.585 37.830 38.460 -0.075 0.000 0.978 1172 Y HN 0.708 nan 8.280 nan 0.000 0.513 1173 S N -1.089 114.383 115.700 -0.380 0.000 2.470 1173 S HA 0.225 4.696 4.470 0.000 0.000 0.222 1173 S C 1.855 176.344 174.600 -0.184 0.000 1.024 1173 S CA 0.469 58.402 58.200 -0.446 0.000 0.931 1173 S CB -0.496 62.571 63.200 -0.222 0.000 0.791 1173 S HN 1.079 nan 8.310 nan 0.000 0.513 1174 G N 2.070 110.833 108.800 -0.061 0.000 2.153 1174 G HA2 -0.317 3.643 3.960 0.000 0.000 0.252 1174 G HA3 -0.317 3.643 3.960 0.000 0.000 0.252 1174 G C -0.006 174.988 174.900 0.158 0.000 0.994 1174 G CA 0.464 45.600 45.100 0.060 0.000 0.698 1174 G HN 1.029 nan 8.290 nan 0.000 0.521 1175 R N -1.367 119.190 120.500 0.095 0.000 2.750 1175 R HA 0.816 5.156 4.340 0.000 0.000 0.281 1175 R C -0.366 175.977 176.300 0.071 0.000 0.972 1175 R CA -0.500 55.681 56.100 0.134 0.000 0.912 1175 R CB 2.427 32.769 30.300 0.071 0.000 1.187 1175 R HN 0.947 nan 8.270 nan 0.000 0.464 1176 V N 0.483 120.458 119.914 0.102 0.000 2.604 1176 V HA 0.542 4.662 4.120 0.000 0.000 0.305 1176 V C -0.089 176.071 176.094 0.110 0.000 1.043 1176 V CA -1.019 61.303 62.300 0.037 0.000 0.888 1176 V CB 1.676 33.431 31.823 -0.112 0.000 0.995 1176 V HN 0.709 nan 8.190 nan 0.000 0.429 1177 V N 6.325 126.315 119.914 0.126 0.000 2.999 1177 V HA 0.182 4.302 4.120 0.000 0.000 0.307 1177 V C 2.114 178.269 176.094 0.101 0.000 1.084 1177 V CA 0.907 63.277 62.300 0.116 0.000 1.155 1177 V CB 0.969 32.873 31.823 0.134 0.000 0.975 1177 V HN 1.224 nan 8.190 nan 0.000 0.490 1178 R N 4.378 124.910 120.500 0.053 0.000 2.119 1178 R HA -0.254 4.086 4.340 0.000 0.000 0.246 1178 R C 2.078 178.357 176.300 -0.035 0.000 1.146 1178 R CA 2.570 58.681 56.100 0.019 0.000 0.962 1178 R CB -0.698 29.603 30.300 0.002 0.000 0.863 1178 R HN 0.767 nan 8.270 nan 0.000 0.442 1179 R N -0.110 120.332 120.500 -0.098 0.000 2.119 1179 R HA -0.161 4.179 4.340 0.000 0.000 0.246 1179 R C 0.986 177.025 176.300 -0.435 0.000 1.146 1179 R CA 2.085 58.000 56.100 -0.308 0.000 0.962 1179 R CB -0.280 29.749 30.300 -0.451 0.000 0.863 1179 R HN 0.428 nan 8.270 nan 0.000 0.442 1180 F N 0.138 120.107 119.950 0.031 0.000 2.695 1180 F HA 0.292 4.819 4.527 0.000 0.000 0.303 1180 F C 0.372 176.178 175.800 0.010 0.000 1.091 1180 F CA -0.357 57.660 58.000 0.029 0.000 1.300 1180 F CB 0.213 39.233 39.000 0.032 0.000 1.071 1180 F HN -0.147 nan 8.300 nan 0.000 0.578 1181 K N 0.700 121.181 120.400 0.135 0.000 2.412 1181 K HA 0.387 4.707 4.320 0.000 0.000 0.284 1181 K C 1.152 177.796 176.600 0.073 0.000 1.046 1181 K CA 0.952 57.322 56.287 0.137 0.000 0.999 1181 K CB 0.066 32.638 32.500 0.120 0.000 0.941 1181 K HN 0.325 nan 8.250 nan 0.000 0.474 1182 G N 2.566 111.424 108.800 0.098 0.000 2.162 1182 G HA2 -0.354 3.606 3.960 0.000 0.000 0.260 1182 G HA3 -0.354 3.606 3.960 0.000 0.000 0.260 1182 G C 0.916 175.780 174.900 -0.059 0.000 0.976 1182 G CA 0.895 46.009 45.100 0.024 0.000 0.655 1182 G HN 0.794 nan 8.290 nan 0.000 0.533 1183 S N -0.647 115.029 115.700 -0.041 0.000 2.383 1183 S HA 0.047 4.517 4.470 0.000 0.000 0.227 1183 S C 2.262 176.689 174.600 -0.288 0.000 1.026 1183 S CA 1.635 59.697 58.200 -0.230 0.000 0.981 1183 S CB -0.279 62.971 63.200 0.085 0.000 0.818 1183 S HN 0.597 nan 8.310 nan 0.000 0.472 1184 M N 1.502 121.149 119.600 0.077 0.000 2.080 1184 M HA -0.128 4.352 4.480 0.000 0.000 0.260 1184 M C 2.291 178.631 176.300 0.068 0.000 1.068 1184 M CA 1.852 57.282 55.300 0.218 0.000 1.109 1184 M CB -0.333 32.440 32.600 0.289 0.000 1.342 1184 M HN 0.383 nan 8.290 nan 0.000 0.405 1185 E N -0.187 120.021 120.200 0.013 0.000 2.118 1185 E HA -0.242 4.108 4.350 0.000 0.000 0.195 1185 E C 1.927 178.486 176.600 -0.068 0.000 0.992 1185 E CA 1.373 57.765 56.400 -0.013 0.000 0.804 1185 E CB -0.153 29.538 29.700 -0.014 0.000 0.741 1185 E HN 0.615 nan 8.360 nan 0.000 0.458 1186 E N -0.077 120.007 120.200 -0.194 0.000 2.017 1186 E HA -0.186 4.164 4.350 0.000 0.000 0.193 1186 E C 1.935 178.441 176.600 -0.155 0.000 0.997 1186 E CA 1.241 57.472 56.400 -0.282 0.000 0.804 1186 E CB -0.178 29.191 29.700 -0.551 0.000 0.757 1186 E HN 0.401 nan 8.360 nan 0.000 0.448 1187 W N 1.245 122.552 121.300 0.011 0.000 2.338 1187 W HA -0.209 4.451 4.660 0.000 0.000 0.304 1187 W C 2.545 179.029 176.519 -0.059 0.000 1.212 1187 W CA 0.339 57.662 57.345 -0.037 0.000 1.264 1187 W CB -0.344 29.060 29.460 -0.094 0.000 1.142 1187 W HN 0.169 nan 8.180 nan 0.000 0.512 1188 Q N 0.476 120.363 119.800 0.144 0.000 2.077 1188 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 1188 Q C 2.502 178.529 176.000 0.046 0.000 0.989 1188 Q CA 1.989 57.831 55.803 0.064 0.000 0.853 1188 Q CB -0.681 28.082 28.738 0.042 0.000 0.907 1188 Q HN 0.370 nan 8.270 nan 0.000 0.418 1189 A N 0.374 123.214 122.820 0.034 0.000 2.015 1189 A HA -0.114 4.206 4.320 0.000 0.000 0.219 1189 A C 1.852 179.458 177.584 0.037 0.000 1.163 1189 A CA 1.146 53.195 52.037 0.020 0.000 0.646 1189 A CB -0.321 18.678 19.000 -0.002 0.000 0.806 1189 A HN 0.313 nan 8.150 nan 0.000 0.448 1190 M N -1.407 118.238 119.600 0.075 0.000 2.561 1190 M HA 0.180 4.660 4.480 0.000 0.000 0.238 1190 M C 1.285 177.629 176.300 0.072 0.000 1.131 1190 M CA 0.777 56.132 55.300 0.092 0.000 1.046 1190 M CB 0.281 32.984 32.600 0.171 0.000 1.532 1190 M HN 0.599 nan 8.290 nan 0.000 0.497 1191 G N 0.753 109.586 108.800 0.054 0.000 2.141 1191 G HA2 -0.189 3.771 3.960 0.000 0.000 0.231 1191 G HA3 -0.189 3.771 3.960 0.000 0.000 0.231 1191 G C 0.024 174.929 174.900 0.007 0.000 0.984 1191 G CA -0.343 44.773 45.100 0.026 0.000 0.660 1191 G HN 0.289 nan 8.290 nan 0.000 0.525 1192 V N 1.735 121.656 119.914 0.013 0.000 2.655 1192 V HA 0.223 4.343 4.120 0.000 0.000 0.300 1192 V C 1.840 177.878 176.094 -0.093 0.000 1.044 1192 V CA 0.996 63.262 62.300 -0.057 0.000 1.095 1192 V CB 1.271 33.036 31.823 -0.096 0.000 0.952 1192 V HN 0.397 nan 8.190 nan 0.000 0.485 1193 M N 3.136 122.669 119.600 -0.112 0.000 2.248 1193 M HA 0.108 4.588 4.480 0.000 0.000 0.265 1193 M C 0.672 176.890 176.300 -0.137 0.000 1.079 1193 M CA 1.059 56.294 55.300 -0.109 0.000 1.150 1193 M CB 0.050 32.604 32.600 -0.076 0.000 1.366 1193 M HN 0.960 nan 8.290 nan 0.000 0.433 1194 N N -1.760 116.831 118.700 -0.181 0.000 3.046 1194 N HA 0.157 4.897 4.740 0.000 0.000 0.243 1194 N C -2.018 173.345 175.510 -0.244 0.000 1.452 1194 N CA -0.636 52.312 53.050 -0.169 0.000 0.882 1194 N CB 1.220 39.664 38.487 -0.072 0.000 1.425 1194 N HN -0.103 nan 8.380 nan 0.000 0.517 1195 Y N -0.229 120.014 120.300 -0.094 0.000 2.377 1195 Y HA 0.475 5.025 4.550 0.000 0.000 0.339 1195 Y C 0.356 176.192 175.900 -0.108 0.000 1.011 1195 Y CA -0.165 57.859 58.100 -0.128 0.000 1.093 1195 Y CB 1.610 39.971 38.460 -0.167 0.000 1.201 1195 Y HN 0.795 nan 8.280 nan 0.000 0.455 1196 E N 0.034 120.283 120.200 0.081 0.000 2.391 1196 E HA 0.545 4.895 4.350 0.000 0.000 0.256 1196 E C -0.951 175.663 176.600 0.023 0.000 0.975 1196 E CA -0.727 55.697 56.400 0.040 0.000 0.881 1196 E CB 1.183 30.899 29.700 0.027 0.000 1.728 1196 E HN 0.449 nan 8.360 nan 0.000 0.446 1197 M N -0.720 118.894 119.600 0.024 0.000 2.268 1197 M HA 0.337 4.817 4.480 0.000 0.000 0.355 1197 M C -0.066 176.244 176.300 0.017 0.000 0.938 1197 M CA 0.213 55.524 55.300 0.019 0.000 1.025 1197 M CB 0.757 33.377 32.600 0.035 0.000 1.773 1197 M HN 0.488 nan 8.290 nan 0.000 0.613 1198 E N -0.485 119.721 120.200 0.011 0.000 2.500 1198 E HA 0.071 4.421 4.350 0.000 0.000 0.217 1198 E C 1.831 178.424 176.600 -0.011 0.000 0.848 1198 E CA 0.631 57.033 56.400 0.003 0.000 1.217 1198 E CB 0.414 30.117 29.700 0.006 0.000 1.217 1198 E HN 0.306 nan 8.360 nan 0.000 0.573 1199 S N 0.789 116.483 115.700 -0.010 0.000 2.402 1199 S HA -0.048 4.422 4.470 0.000 0.000 0.229 1199 S C 2.221 176.810 174.600 -0.018 0.000 1.021 1199 S CA 0.866 59.055 58.200 -0.018 0.000 0.974 1199 S CB -0.218 62.974 63.200 -0.015 0.000 0.800 1199 S HN 0.217 nan 8.310 nan 0.000 0.484 1200 A N 1.822 124.638 122.820 -0.006 0.000 1.908 1200 A HA -0.066 4.254 4.320 0.000 0.000 0.218 1200 A C 2.432 180.023 177.584 0.012 0.000 1.181 1200 A CA 2.247 54.292 52.037 0.012 0.000 0.627 1200 A CB -1.703 17.313 19.000 0.027 0.000 0.818 1200 A HN 0.585 nan 8.150 nan 0.000 0.445 1201 T N -0.078 114.473 114.554 -0.005 0.000 2.737 1201 T HA -0.101 4.249 4.350 0.000 0.000 0.265 1201 T C 1.871 176.478 174.700 -0.156 0.000 1.038 1201 T CA 1.403 63.474 62.100 -0.048 0.000 1.144 1201 T CB -0.430 68.419 68.868 -0.031 0.000 0.866 1201 T HN 0.356 nan 8.240 nan 0.000 0.434 1202 L N 1.172 122.313 121.223 -0.138 0.000 1.990 1202 L HA -0.057 4.283 4.340 0.000 0.000 0.213 1202 L C 2.160 178.935 176.870 -0.158 0.000 1.072 1202 L CA 1.807 56.533 54.840 -0.190 0.000 0.755 1202 L CB -0.724 41.259 42.059 -0.127 0.000 0.889 1202 L HN 0.249 nan 8.230 nan 0.000 0.432 1203 L N -1.498 119.683 121.223 -0.069 0.000 2.072 1203 L HA -0.134 4.206 4.340 0.000 0.000 0.205 1203 L C 2.345 179.231 176.870 0.027 0.000 1.079 1203 L CA 1.474 56.307 54.840 -0.013 0.000 0.752 1203 L CB -1.136 40.932 42.059 0.016 0.000 0.906 1203 L HN 0.289 nan 8.230 nan 0.000 0.436 1204 T N 0.861 115.434 114.554 0.031 0.000 2.737 1204 T HA -0.195 4.155 4.350 0.000 0.000 0.265 1204 T C 1.897 176.577 174.700 -0.033 0.000 1.038 1204 T CA 1.882 64.044 62.100 0.103 0.000 1.144 1204 T CB -0.229 68.716 68.868 0.128 0.000 0.866 1204 T HN 0.426 nan 8.240 nan 0.000 0.434 1205 M N 0.296 119.759 119.600 -0.228 0.000 2.175 1205 M HA -0.015 4.465 4.480 0.000 0.000 0.264 1205 M C 2.290 178.446 176.300 -0.241 0.000 1.063 1205 M CA 1.474 56.513 55.300 -0.435 0.000 1.119 1205 M CB -1.247 30.701 32.600 -1.086 0.000 1.377 1205 M HN 0.182 nan 8.290 nan 0.000 0.415 1206 C N 1.447 120.643 119.300 -0.174 0.000 2.476 1206 C HA 0.109 4.569 4.460 0.000 0.000 0.278 1206 C C 3.324 178.335 174.990 0.035 0.000 1.274 1206 C CA 1.088 60.068 59.018 -0.063 0.000 1.713 1206 C CB -1.182 26.536 27.740 -0.037 0.000 2.039 1206 C HN 0.763 nan 8.230 nan 0.000 0.484 1207 A N 1.132 124.008 122.820 0.093 0.000 1.969 1207 A HA -0.126 4.194 4.320 0.000 0.000 0.218 1207 A C 2.195 179.912 177.584 0.221 0.000 1.169 1207 A CA 2.125 54.288 52.037 0.211 0.000 0.635 1207 A CB -0.629 18.578 19.000 0.345 0.000 0.810 1207 A HN 0.706 nan 8.150 nan 0.000 0.445 1208 S N -1.601 114.115 115.700 0.027 0.000 2.558 1208 S HA 0.073 4.543 4.470 0.000 0.000 0.217 1208 S C 1.143 175.715 174.600 -0.046 0.000 0.975 1208 S CA 0.577 58.676 58.200 -0.168 0.000 0.912 1208 S CB 0.016 62.938 63.200 -0.464 0.000 0.776 1208 S HN 0.642 nan 8.310 nan 0.000 0.526 1209 Q N 0.368 120.170 119.800 0.004 0.000 2.135 1209 Q HA 0.380 4.720 4.340 0.000 0.000 0.231 1209 Q C 0.628 176.657 176.000 0.049 0.000 0.817 1209 Q CA 0.030 55.848 55.803 0.026 0.000 1.073 1209 Q CB 0.911 29.662 28.738 0.022 0.000 1.176 1209 Q HN 0.635 nan 8.270 nan 0.000 0.478 1210 G N 1.315 110.152 108.800 0.062 0.000 2.198 1210 G HA2 -0.277 3.683 3.960 0.000 0.000 0.260 1210 G HA3 -0.277 3.683 3.960 0.000 0.000 0.260 1210 G C -0.130 174.817 174.900 0.079 0.000 1.025 1210 G CA 0.328 45.470 45.100 0.069 0.000 0.769 1210 G HN 0.279 nan 8.290 nan 0.000 0.507 1211 L N -1.024 120.254 121.223 0.092 0.000 2.330 1211 L HA 0.696 5.036 4.340 0.000 0.000 0.271 1211 L C 0.842 177.792 176.870 0.133 0.000 1.013 1211 L CA -1.253 53.665 54.840 0.131 0.000 0.816 1211 L CB 1.477 43.653 42.059 0.196 0.000 1.287 1211 L HN 0.046 nan 8.230 nan 0.000 0.435 1212 R N 1.336 121.923 120.500 0.145 0.000 2.346 1212 R HA 0.797 5.137 4.340 0.000 0.000 0.311 1212 R C -0.816 175.584 176.300 0.166 0.000 0.983 1212 R CA -0.533 55.641 56.100 0.123 0.000 0.880 1212 R CB 1.745 32.094 30.300 0.081 0.000 1.100 1212 R HN 0.723 nan 8.270 nan 0.000 0.453 1213 A N 1.362 124.258 122.820 0.127 0.000 2.515 1213 A HA 0.848 5.168 4.320 0.000 0.000 0.298 1213 A C -0.817 176.811 177.584 0.074 0.000 1.059 1213 A CA -0.634 51.479 52.037 0.126 0.000 0.698 1213 A CB 2.279 21.335 19.000 0.094 0.000 1.289 1213 A HN 0.769 nan 8.150 nan 0.000 0.404 1214 G N -0.377 108.462 108.800 0.065 0.000 2.694 1214 G HA2 0.683 4.643 3.960 0.000 0.000 0.290 1214 G HA3 0.683 4.643 3.960 0.000 0.000 0.290 1214 G C -1.214 173.705 174.900 0.032 0.000 1.386 1214 G CA -0.411 44.710 45.100 0.035 0.000 0.872 1214 G HN 1.153 nan 8.290 nan 0.000 0.475 1215 M N 1.031 120.642 119.600 0.018 0.000 2.322 1215 M HA 0.668 5.148 4.480 0.000 0.000 0.286 1215 M C -1.941 174.365 176.300 0.010 0.000 1.111 1215 M CA -0.800 54.510 55.300 0.016 0.000 0.941 1215 M CB 2.278 34.885 32.600 0.012 0.000 1.671 1215 M HN 0.646 nan 8.290 nan 0.000 0.470 1216 V N 3.877 123.799 119.914 0.012 0.000 2.914 1216 V HA 1.045 5.165 4.120 0.000 0.000 0.314 1216 V C -1.457 174.647 176.094 0.016 0.000 1.084 1216 V CA -0.077 62.230 62.300 0.012 0.000 0.963 1216 V CB 2.022 33.849 31.823 0.008 0.000 1.025 1216 V HN 1.056 nan 8.190 nan 0.000 0.432 1217 A N 3.542 126.374 122.820 0.020 0.000 2.520 1217 A HA 0.857 5.177 4.320 0.000 0.000 0.298 1217 A C -0.266 177.336 177.584 0.031 0.000 1.051 1217 A CA -0.097 51.954 52.037 0.023 0.000 0.690 1217 A CB 1.709 20.721 19.000 0.019 0.000 1.281 1217 A HN 1.535 nan 8.150 nan 0.000 0.402 1218 G N 0.225 109.044 108.800 0.031 0.000 2.356 1218 G HA2 0.520 4.480 3.960 0.000 0.000 0.298 1218 G HA3 0.520 4.480 3.960 0.000 0.000 0.298 1218 G C -0.432 174.489 174.900 0.035 0.000 1.145 1218 G CA -0.334 44.790 45.100 0.040 0.000 0.850 1218 G HN 0.932 nan 8.290 nan 0.000 0.487 1219 V N 3.419 123.358 119.914 0.042 0.000 2.427 1219 V HA 0.120 4.240 4.120 0.000 0.000 0.268 1219 V C 1.216 177.327 176.094 0.028 0.000 1.046 1219 V CA 0.056 62.375 62.300 0.032 0.000 0.970 1219 V CB 0.728 32.571 31.823 0.033 0.000 1.001 1219 V HN 0.773 nan 8.190 nan 0.000 0.476 1220 I N 3.444 124.028 120.570 0.024 0.000 4.139 1220 I HA 0.551 4.721 4.170 0.000 0.000 0.335 1220 I C 0.228 176.357 176.117 0.021 0.000 1.327 1220 I CA 0.300 61.612 61.300 0.020 0.000 1.112 1220 I CB 0.985 38.995 38.000 0.016 0.000 1.058 1220 I HN 0.413 nan 8.210 nan 0.000 0.396 1221 V N 0.870 120.798 119.914 0.023 0.000 3.225 1221 V HA 0.518 4.638 4.120 0.000 0.000 0.293 1221 V C -2.028 174.078 176.094 0.020 0.000 1.405 1221 V CA -0.561 61.754 62.300 0.024 0.000 1.038 1221 V CB 2.416 34.259 31.823 0.033 0.000 1.123 1221 V HN 0.368 nan 8.190 nan 0.000 0.447 1222 N N 3.143 121.855 118.700 0.020 0.000 2.558 1222 N HA 0.381 5.121 4.740 0.000 0.000 0.285 1222 N C 0.403 175.929 175.510 0.026 0.000 1.112 1222 N CA -0.481 52.579 53.050 0.017 0.000 0.857 1222 N CB 2.001 40.493 38.487 0.008 0.000 1.376 1222 N HN 0.747 nan 8.380 nan 0.000 0.526 1223 R N 1.032 121.551 120.500 0.032 0.000 2.152 1223 R HA -0.087 4.253 4.340 0.000 0.000 0.232 1223 R C 1.135 177.459 176.300 0.042 0.000 1.117 1223 R CA 2.061 58.185 56.100 0.040 0.000 0.981 1223 R CB 0.072 30.401 30.300 0.048 0.000 0.870 1223 R HN 0.666 nan 8.270 nan 0.000 0.451 1224 T N -2.630 111.947 114.554 0.037 0.000 3.100 1224 T HA 0.086 4.436 4.350 0.000 0.000 0.253 1224 T C 0.567 175.285 174.700 0.031 0.000 1.118 1224 T CA -0.031 62.091 62.100 0.036 0.000 1.058 1224 T CB 0.247 69.136 68.868 0.034 0.000 0.953 1224 T HN 0.163 nan 8.240 nan 0.000 0.515 1225 Q N 0.691 120.508 119.800 0.028 0.000 2.245 1225 Q HA 0.363 4.703 4.340 0.000 0.000 0.256 1225 Q C 0.867 176.882 176.000 0.025 0.000 0.942 1225 Q CA -0.560 55.258 55.803 0.025 0.000 0.896 1225 Q CB 2.189 30.939 28.738 0.020 0.000 1.272 1225 Q HN 0.289 nan 8.270 nan 0.000 0.442 1226 Q N 1.587 121.402 119.800 0.024 0.000 2.096 1226 Q HA -0.084 4.256 4.340 0.000 0.000 0.197 1226 Q C 0.020 176.033 176.000 0.021 0.000 0.964 1226 Q CA 0.741 56.557 55.803 0.023 0.000 0.838 1226 Q CB 0.400 29.151 28.738 0.021 0.000 0.906 1226 Q HN 0.615 nan 8.270 nan 0.000 0.444 1227 E N 1.329 121.540 120.200 0.019 0.000 2.414 1227 E HA 0.044 4.394 4.350 0.000 0.000 0.263 1227 E C -0.264 176.347 176.600 0.018 0.000 1.000 1227 E CA -0.244 56.166 56.400 0.017 0.000 0.914 1227 E CB 0.400 30.108 29.700 0.014 0.000 0.948 1227 E HN 0.387 nan 8.360 nan 0.000 0.444 1228 I N 1.611 122.191 120.570 0.017 0.000 2.577 1228 I HA 0.496 4.666 4.170 0.000 0.000 0.300 1228 I C -2.233 173.894 176.117 0.015 0.000 0.990 1228 I CA -2.555 58.756 61.300 0.018 0.000 1.283 1228 I CB 0.816 38.828 38.000 0.019 0.000 1.411 1228 I HN 0.333 nan 8.210 nan 0.000 0.515 1229 P HA 0.213 nan 4.420 nan 0.000 0.275 1229 P C -1.017 176.289 177.300 0.010 0.000 1.228 1229 P CA -0.366 62.742 63.100 0.013 0.000 0.786 1229 P CB 0.368 32.076 31.700 0.014 0.000 0.927 1230 N N 0.838 119.543 118.700 0.007 0.000 2.415 1230 N HA 0.066 4.806 4.740 0.000 0.000 0.248 1230 N C 1.179 176.689 175.510 0.000 0.000 1.271 1230 N CA -0.071 52.982 53.050 0.004 0.000 0.913 1230 N CB 0.662 39.151 38.487 0.003 0.000 1.129 1230 N HN 0.409 nan 8.380 nan 0.000 0.444 1231 A N 1.011 123.830 122.820 -0.002 0.000 1.872 1231 A HA -0.163 4.157 4.320 0.000 0.000 0.214 1231 A C 2.014 179.590 177.584 -0.013 0.000 1.187 1231 A CA 1.391 53.424 52.037 -0.006 0.000 0.614 1231 A CB -0.413 18.584 19.000 -0.006 0.000 0.826 1231 A HN 0.734 nan 8.150 nan 0.000 0.442 1232 E N -0.062 120.130 120.200 -0.014 0.000 2.216 1232 E HA -0.093 4.257 4.350 0.000 0.000 0.192 1232 E C 2.061 178.644 176.600 -0.029 0.000 0.988 1232 E CA 1.677 58.063 56.400 -0.023 0.000 0.834 1232 E CB -0.428 29.261 29.700 -0.019 0.000 0.772 1232 E HN 0.684 nan 8.360 nan 0.000 0.479 1233 T N -1.624 112.919 114.554 -0.017 0.000 2.915 1233 T HA -0.111 4.240 4.350 0.000 0.000 0.269 1233 T C 1.923 176.610 174.700 -0.021 0.000 1.071 1233 T CA 1.180 63.272 62.100 -0.014 0.000 1.132 1233 T CB -0.231 68.639 68.868 0.004 0.000 0.878 1233 T HN 0.098 nan 8.240 nan 0.000 0.479 1234 M N 0.775 120.364 119.600 -0.018 0.000 2.175 1234 M HA 0.042 4.522 4.480 0.000 0.000 0.264 1234 M C 2.440 178.716 176.300 -0.040 0.000 1.063 1234 M CA 1.498 56.786 55.300 -0.019 0.000 1.119 1234 M CB -0.316 32.277 32.600 -0.011 0.000 1.377 1234 M HN 0.224 nan 8.290 nan 0.000 0.415 1235 K N -0.327 120.043 120.400 -0.051 0.000 2.228 1235 K HA -0.126 4.194 4.320 0.000 0.000 0.202 1235 K C 1.984 178.513 176.600 -0.119 0.000 1.051 1235 K CA 0.873 57.118 56.287 -0.070 0.000 0.960 1235 K CB -0.056 32.408 32.500 -0.059 0.000 0.743 1235 K HN 0.175 nan 8.250 nan 0.000 0.458 1236 Q N 0.455 120.168 119.800 -0.144 0.000 2.212 1236 Q HA -0.016 4.324 4.340 0.000 0.000 0.199 1236 Q C 1.623 177.374 176.000 -0.414 0.000 0.950 1236 Q CA 1.388 57.018 55.803 -0.288 0.000 0.863 1236 Q CB 0.140 28.754 28.738 -0.207 0.000 0.944 1236 Q HN 0.143 nan 8.270 nan 0.000 0.465 1237 T N 0.083 114.543 114.554 -0.157 0.000 2.821 1237 T HA -0.126 4.224 4.350 0.000 0.000 0.267 1237 T C 1.417 176.090 174.700 -0.045 0.000 1.046 1237 T CA 1.293 63.371 62.100 -0.037 0.000 1.139 1237 T CB -0.104 68.774 68.868 0.017 0.000 0.871 1237 T HN 0.406 nan 8.240 nan 0.000 0.454 1238 E N 1.096 121.252 120.200 -0.074 0.000 2.072 1238 E HA -0.139 4.211 4.350 0.000 0.000 0.191 1238 E C 2.408 178.969 176.600 -0.066 0.000 0.985 1238 E CA 1.345 57.713 56.400 -0.054 0.000 0.801 1238 E CB -0.011 29.656 29.700 -0.054 0.000 0.750 1238 E HN 0.589 nan 8.360 nan 0.000 0.452 1239 S N -0.717 114.906 115.700 -0.129 0.000 2.383 1239 S HA -0.179 4.291 4.470 0.000 0.000 0.227 1239 S C 1.716 176.292 174.600 -0.040 0.000 1.026 1239 S CA 1.242 59.372 58.200 -0.116 0.000 0.981 1239 S CB -0.650 62.451 63.200 -0.166 0.000 0.818 1239 S HN 0.448 nan 8.310 nan 0.000 0.472 1240 H N 1.716 120.775 119.070 -0.018 0.000 2.321 1240 H HA 0.115 4.671 4.556 0.000 0.000 0.300 1240 H C 2.678 177.996 175.328 -0.017 0.000 1.087 1240 H CA 0.989 57.027 56.048 -0.017 0.000 1.319 1240 H CB -0.330 29.424 29.762 -0.014 0.000 1.379 1240 H HN 0.588 nan 8.280 nan 0.000 0.501 1241 A N 0.702 123.585 122.820 0.106 0.000 1.908 1241 A HA -0.164 4.156 4.320 0.000 0.000 0.218 1241 A C 2.604 180.204 177.584 0.028 0.000 1.181 1241 A CA 1.671 53.739 52.037 0.052 0.000 0.627 1241 A CB -0.877 18.142 19.000 0.032 0.000 0.818 1241 A HN 0.225 nan 8.150 nan 0.000 0.445 1242 V N -0.102 119.821 119.914 0.015 0.000 2.343 1242 V HA -0.282 3.838 4.120 0.000 0.000 0.247 1242 V C 2.521 178.618 176.094 0.005 0.000 1.051 1242 V CA 2.445 64.744 62.300 -0.002 0.000 1.036 1242 V CB -0.629 31.180 31.823 -0.023 0.000 0.654 1242 V HN 0.628 nan 8.190 nan 0.000 0.451 1243 K N -0.266 120.149 120.400 0.024 0.000 2.032 1243 K HA -0.177 4.143 4.320 0.000 0.000 0.209 1243 K C 2.060 178.668 176.600 0.012 0.000 1.048 1243 K CA 1.641 57.943 56.287 0.025 0.000 0.927 1243 K CB -0.170 32.364 32.500 0.057 0.000 0.712 1243 K HN 0.307 nan 8.250 nan 0.000 0.441 1244 I N 0.619 121.199 120.570 0.016 0.000 2.127 1244 I HA -0.250 3.920 4.170 0.000 0.000 0.241 1244 I C 2.409 178.523 176.117 -0.005 0.000 1.075 1244 I CA 1.185 62.485 61.300 0.001 0.000 1.334 1244 I CB -1.329 36.673 38.000 0.003 0.000 1.040 1244 I HN 0.072 nan 8.210 nan 0.000 0.405 1245 V N 0.636 120.550 119.914 -0.001 0.000 2.407 1245 V HA -0.196 3.925 4.120 0.000 0.000 0.248 1245 V C 2.603 178.692 176.094 -0.008 0.000 1.055 1245 V CA 1.399 63.697 62.300 -0.003 0.000 1.049 1245 V CB 0.002 31.826 31.823 0.002 0.000 0.662 1245 V HN 0.189 nan 8.190 nan 0.000 0.455 1246 V N -0.218 119.691 119.914 -0.008 0.000 2.307 1246 V HA -0.142 3.978 4.120 0.000 0.000 0.245 1246 V C 2.608 178.695 176.094 -0.012 0.000 1.045 1246 V CA 1.973 64.267 62.300 -0.010 0.000 1.024 1246 V CB -0.678 31.139 31.823 -0.010 0.000 0.651 1246 V HN 0.519 nan 8.190 nan 0.000 0.449 1247 E N 0.285 120.477 120.200 -0.012 0.000 2.204 1247 E HA -0.095 4.255 4.350 0.000 0.000 0.194 1247 E C 2.281 178.868 176.600 -0.022 0.000 0.989 1247 E CA 1.307 57.697 56.400 -0.016 0.000 0.824 1247 E CB -0.490 29.200 29.700 -0.017 0.000 0.756 1247 E HN 0.568 nan 8.360 nan 0.000 0.477 1248 A N 1.287 124.093 122.820 -0.022 0.000 1.898 1248 A HA -0.041 4.279 4.320 0.000 0.000 0.216 1248 A C 2.404 179.972 177.584 -0.027 0.000 1.181 1248 A CA 1.838 53.858 52.037 -0.029 0.000 0.620 1248 A CB -0.554 18.429 19.000 -0.027 0.000 0.819 1248 A HN 0.256 nan 8.150 nan 0.000 0.442 1249 A N -0.358 122.449 122.820 -0.022 0.000 1.972 1249 A HA -0.180 4.140 4.320 0.000 0.000 0.219 1249 A C 2.221 179.790 177.584 -0.024 0.000 1.169 1249 A CA 1.686 53.709 52.037 -0.024 0.000 0.635 1249 A CB -0.516 18.471 19.000 -0.021 0.000 0.810 1249 A HN 0.547 nan 8.150 nan 0.000 0.446 1250 R N -0.291 120.197 120.500 -0.021 0.000 2.127 1250 R HA -0.118 4.222 4.340 0.000 0.000 0.238 1250 R C 1.929 178.216 176.300 -0.020 0.000 1.134 1250 R CA 1.607 57.696 56.100 -0.019 0.000 0.975 1250 R CB -0.150 30.140 30.300 -0.016 0.000 0.865 1250 R HN 0.529 nan 8.270 nan 0.000 0.447 1251 R N -0.372 120.113 120.500 -0.024 0.000 2.299 1251 R HA 0.071 4.411 4.340 0.000 0.000 0.197 1251 R C 1.308 177.592 176.300 -0.026 0.000 0.971 1251 R CA 0.413 56.497 56.100 -0.026 0.000 1.030 1251 R CB 0.277 30.556 30.300 -0.034 0.000 0.932 1251 R HN 0.236 nan 8.270 nan 0.000 0.477 1252 L N 0.078 121.285 121.223 -0.027 0.000 2.766 1252 L HA 0.252 4.592 4.340 0.000 0.000 0.242 1252 L C 0.338 177.194 176.870 -0.025 0.000 1.136 1252 L CA -0.185 54.639 54.840 -0.026 0.000 0.933 1252 L CB 0.323 42.364 42.059 -0.030 0.000 1.241 1252 L HN 0.046 nan 8.230 nan 0.000 0.522 1253 L N 0.000 121.209 121.223 -0.023 0.000 2.949 1253 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1253 L CA 0.000 54.826 54.840 -0.024 0.000 0.813 1253 L CB 0.000 42.046 42.059 -0.021 0.000 0.961 1253 L HN 0.000 nan 8.230 nan 0.000 0.502