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 1jm6_1_A DATA FIRST_RESID 1003 DATA SEQUENCE ASLAGAPKYI EHFSKFSPSP LSMKQFLDFG XXXACEKTSF TFLRQELPVR DATA SEQUENCE LANIMKEINL LPDRVLSTPS VQLVQSWYVQ SLLDIMEFLD KDPEDHRTLS DATA SEQUENCE QFTDALVTIR NRHNDVVPTM AQGVLEYXXX XXXDPVSNQN IQYFLDRFYL DATA SEQUENCE SRISIRMLIN QHTLIFDXXX XXXXPKHIGS IDPNCSVSDV VKDAYDMAKL DATA SEQUENCE LCDKYYMASP DLEIQEVNAT NATQPIHMVY VPSHLYHMLF ELFKNAMRAT DATA SEQUENCE VESHESSLTL PPIKIMVALG EEDLSIKMSD RGGGVPLRKI ERLFSYMYST DATA SEQUENCE APTPXXXXXX XXXAGFGYGL PISRLYAKYF QGDLQLFSME GFGTDAVIYL DATA SEQUENCE KALSTDSVER LPVY 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 1003 A HA 0.000 nan 4.320 nan 0.000 0.244 1003 A C 0.000 177.664 177.584 0.134 0.000 1.274 1003 A CA 0.000 52.096 52.037 0.098 0.000 0.836 1003 A CB 0.000 19.060 19.000 0.100 0.000 0.831 1004 S N 0.533 116.331 115.700 0.164 0.000 2.481 1004 S HA 0.373 4.843 4.470 -0.001 0.000 0.282 1004 S C 0.120 174.834 174.600 0.190 0.000 1.243 1004 S CA 0.218 58.505 58.200 0.146 0.000 1.078 1004 S CB 0.160 63.435 63.200 0.124 0.000 0.916 1004 S HN 1.566 nan 8.310 nan 0.000 0.495 1005 L N 2.398 123.698 121.223 0.129 0.000 2.719 1005 L HA 0.640 4.980 4.340 -0.001 0.000 0.236 1005 L C 0.645 177.547 176.870 0.054 0.000 1.285 1005 L CA -0.030 54.887 54.840 0.127 0.000 1.222 1005 L CB -0.453 41.675 42.059 0.116 0.000 1.493 1005 L HN 0.802 nan 8.230 nan 0.000 0.415 1006 A N 0.754 123.568 122.820 -0.010 0.000 2.533 1006 A HA 0.362 4.681 4.320 -0.001 0.000 0.180 1006 A C 1.606 179.093 177.584 -0.162 0.000 1.566 1006 A CA 0.415 52.419 52.037 -0.055 0.000 1.153 1006 A CB -0.140 18.839 19.000 -0.034 0.000 1.462 1006 A HN 0.513 nan 8.150 nan 0.000 0.523 1007 G N -0.031 108.614 108.800 -0.257 0.000 2.623 1007 G HA2 0.254 4.213 3.960 -0.001 0.000 0.214 1007 G HA3 0.254 4.213 3.960 -0.001 0.000 0.214 1007 G C 1.506 175.894 174.900 -0.853 0.000 1.138 1007 G CA 1.190 45.880 45.100 -0.684 0.000 0.794 1007 G HN 0.828 nan 8.290 nan 0.000 0.535 1008 A N 2.001 124.613 122.820 -0.346 0.000 1.940 1008 A HA -0.116 4.204 4.320 -0.001 0.000 0.221 1008 A C 0.708 178.304 177.584 0.021 0.000 1.190 1008 A CA 2.197 54.260 52.037 0.044 0.000 0.647 1008 A CB -1.313 17.776 19.000 0.148 0.000 0.821 1008 A HN 0.386 nan 8.150 nan 0.000 0.457 1009 P HA -0.200 nan 4.420 nan 0.000 0.214 1009 P C 1.198 178.494 177.300 -0.006 0.000 1.163 1009 P CA 1.870 64.963 63.100 -0.012 0.000 0.889 1009 P CB -0.145 31.532 31.700 -0.039 0.000 0.790 1010 K N -1.255 119.083 120.400 -0.103 0.000 2.026 1010 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 1010 K C 2.369 179.003 176.600 0.057 0.000 1.048 1010 K CA 1.586 57.827 56.287 -0.078 0.000 0.929 1010 K CB -1.058 31.335 32.500 -0.178 0.000 0.713 1010 K HN 0.280 nan 8.250 nan 0.000 0.439 1011 Y N 1.714 122.086 120.300 0.121 0.000 2.081 1011 Y HA -0.241 4.308 4.550 -0.002 0.000 0.280 1011 Y C 2.523 178.588 175.900 0.275 0.000 1.163 1011 Y CA 0.469 58.696 58.100 0.212 0.000 1.135 1011 Y CB -0.341 38.299 38.460 0.300 0.000 0.970 1011 Y HN -0.028 nan 8.280 nan 0.000 0.498 1012 I N -0.124 120.671 120.570 0.376 0.000 2.252 1012 I HA -0.221 3.948 4.170 -0.001 0.000 0.245 1012 I C 2.292 178.542 176.117 0.221 0.000 1.102 1012 I CA 1.277 62.762 61.300 0.308 0.000 1.385 1012 I CB -0.908 37.222 38.000 0.217 0.000 1.064 1012 I HN 0.232 nan 8.210 nan 0.000 0.414 1013 E N 0.616 120.909 120.200 0.156 0.000 2.219 1013 E HA -0.273 4.076 4.350 -0.001 0.000 0.198 1013 E C 2.033 178.707 176.600 0.123 0.000 0.998 1013 E CA 1.447 57.912 56.400 0.108 0.000 0.818 1013 E CB -0.383 29.356 29.700 0.065 0.000 0.741 1013 E HN 0.593 nan 8.360 nan 0.000 0.477 1014 H N -1.345 117.737 119.070 0.020 0.000 2.329 1014 H HA 0.070 4.625 4.556 -0.001 0.000 0.306 1014 H C 1.640 177.021 175.328 0.087 0.000 1.062 1014 H CA 1.585 57.597 56.048 -0.061 0.000 1.364 1014 H CB -0.652 28.962 29.762 -0.247 0.000 1.409 1014 H HN 0.164 nan 8.280 nan 0.000 0.519 1015 F N 0.465 120.457 119.950 0.071 0.000 2.407 1015 F HA -0.069 4.456 4.527 -0.003 0.000 0.299 1015 F C 2.764 178.695 175.800 0.218 0.000 1.097 1015 F CA 0.834 58.891 58.000 0.095 0.000 1.422 1015 F CB -0.227 38.765 39.000 -0.013 0.000 1.067 1015 F HN 0.314 nan 8.300 nan 0.000 0.539 1016 S N 0.306 116.176 115.700 0.283 0.000 2.481 1016 S HA -0.114 4.356 4.470 -0.001 0.000 0.231 1016 S C 1.708 176.377 174.600 0.115 0.000 0.996 1016 S CA 0.603 58.918 58.200 0.192 0.000 0.942 1016 S CB -0.345 62.942 63.200 0.146 0.000 0.768 1016 S HN 0.330 nan 8.310 nan 0.000 0.520 1017 K N 0.136 120.549 120.400 0.021 0.000 2.486 1017 K HA 0.146 4.465 4.320 -0.001 0.000 0.194 1017 K C -0.511 175.915 176.600 -0.289 0.000 1.033 1017 K CA 0.249 56.426 56.287 -0.183 0.000 1.004 1017 K CB -0.093 32.205 32.500 -0.337 0.000 0.798 1017 K HN 0.454 nan 8.250 nan 0.000 0.495 1018 F N 0.208 120.162 119.950 0.007 0.000 2.440 1018 F HA 0.220 4.750 4.527 0.005 0.000 0.328 1018 F C 0.799 176.632 175.800 0.055 0.000 1.070 1018 F CA -1.044 56.970 58.000 0.024 0.000 1.011 1018 F CB 1.280 40.285 39.000 0.008 0.000 1.226 1018 F HN -0.309 nan 8.300 nan 0.000 0.491 1019 S N 1.723 117.585 115.700 0.271 0.000 2.509 1019 S HA 0.601 5.071 4.470 -0.001 0.000 0.297 1019 S C -2.766 171.912 174.600 0.130 0.000 1.118 1019 S CA -1.753 56.587 58.200 0.234 0.000 1.074 1019 S CB 0.995 64.364 63.200 0.282 0.000 1.038 1019 S HN 0.211 nan 8.310 nan 0.000 0.498 1020 P HA 0.050 nan 4.420 nan 0.000 0.264 1020 P C -0.982 176.095 177.300 -0.371 0.000 1.179 1020 P CA 0.210 63.142 63.100 -0.279 0.000 0.763 1020 P CB 0.302 31.687 31.700 -0.525 0.000 0.806 1021 S N 2.374 117.942 115.700 -0.219 0.000 2.601 1021 S HA 0.518 4.987 4.470 -0.001 0.000 0.312 1021 S C -2.716 171.827 174.600 -0.095 0.000 1.107 1021 S CA -1.817 56.321 58.200 -0.104 0.000 1.129 1021 S CB 0.558 63.788 63.200 0.050 0.000 0.982 1021 S HN 0.122 nan 8.310 nan 0.000 0.469 1022 P HA 0.276 nan 4.420 nan 0.000 0.268 1022 P C -1.026 176.245 177.300 -0.048 0.000 1.204 1022 P CA -0.367 62.676 63.100 -0.094 0.000 0.768 1022 P CB 0.343 32.022 31.700 -0.035 0.000 0.842 1023 L N 2.129 123.302 121.223 -0.083 0.000 2.309 1023 L HA 0.395 4.735 4.340 -0.001 0.000 0.282 1023 L C 0.985 177.851 176.870 -0.006 0.000 1.036 1023 L CA -0.062 54.679 54.840 -0.165 0.000 0.806 1023 L CB 1.177 42.916 42.059 -0.533 0.000 1.220 1023 L HN 0.378 nan 8.230 nan 0.000 0.429 1024 S N 2.352 118.072 115.700 0.032 0.000 2.634 1024 S HA 0.163 4.632 4.470 -0.001 0.000 0.261 1024 S C 1.101 175.869 174.600 0.279 0.000 1.271 1024 S CA -0.281 58.007 58.200 0.146 0.000 0.985 1024 S CB 0.466 63.713 63.200 0.079 0.000 0.968 1024 S HN 0.666 nan 8.310 nan 0.000 0.568 1025 M N 0.925 120.683 119.600 0.263 0.000 2.229 1025 M HA 0.139 4.618 4.480 -0.001 0.000 0.264 1025 M C 1.630 178.039 176.300 0.182 0.000 1.063 1025 M CA 1.737 57.170 55.300 0.222 0.000 1.114 1025 M CB -0.626 31.976 32.600 0.004 0.000 1.387 1025 M HN 0.776 nan 8.290 nan 0.000 0.420 1026 K N -0.653 119.815 120.400 0.113 0.000 2.296 1026 K HA -0.013 4.307 4.320 -0.001 0.000 0.200 1026 K C 1.931 178.564 176.600 0.055 0.000 1.048 1026 K CA 0.983 57.311 56.287 0.070 0.000 0.966 1026 K CB 0.014 32.534 32.500 0.033 0.000 0.754 1026 K HN 0.526 nan 8.250 nan 0.000 0.466 1027 Q N -0.806 119.027 119.800 0.055 0.000 2.212 1027 Q HA -0.013 4.326 4.340 -0.001 0.000 0.199 1027 Q C 1.409 177.477 176.000 0.113 0.000 0.950 1027 Q CA 0.873 56.663 55.803 -0.022 0.000 0.863 1027 Q CB 0.046 28.713 28.738 -0.117 0.000 0.944 1027 Q HN 0.193 nan 8.270 nan 0.000 0.465 1028 F N 0.750 120.813 119.950 0.189 0.000 2.186 1028 F HA -0.127 4.399 4.527 -0.001 0.000 0.299 1028 F C 1.887 177.851 175.800 0.272 0.000 1.090 1028 F CA 0.994 59.151 58.000 0.262 0.000 1.307 1028 F CB -0.107 38.979 39.000 0.144 0.000 1.019 1028 F HN 0.010 nan 8.300 nan 0.000 0.489 1029 L N -0.687 120.737 121.223 0.336 0.000 2.109 1029 L HA -0.149 4.191 4.340 -0.001 0.000 0.207 1029 L C 0.588 177.561 176.870 0.172 0.000 1.086 1029 L CA 0.933 55.891 54.840 0.196 0.000 0.760 1029 L CB -0.407 41.712 42.059 0.100 0.000 0.910 1029 L HN -0.136 nan 8.230 nan 0.000 0.437 1030 D N -0.359 120.112 120.400 0.118 0.000 2.982 1030 D HA 0.041 4.680 4.640 -0.001 0.000 0.238 1030 D C 0.189 176.432 176.300 -0.095 0.000 1.168 1030 D CA 0.494 54.489 54.000 -0.008 0.000 0.947 1030 D CB -0.176 40.569 40.800 -0.091 0.000 1.147 1030 D HN 0.130 nan 8.370 nan 0.000 0.450 1031 F N -0.275 119.680 119.950 0.009 0.000 2.724 1031 F HA 0.284 4.810 4.527 -0.002 0.000 0.310 1031 F C 1.569 177.337 175.800 -0.053 0.000 1.107 1031 F CA -0.217 57.786 58.000 0.005 0.000 1.218 1031 F CB 0.468 39.495 39.000 0.044 0.000 1.042 1031 F HN 0.124 nan 8.300 nan 0.000 0.540 1037 C N -1.496 117.922 119.300 0.197 0.000 3.231 1037 C HA 0.555 5.014 4.460 -0.001 0.000 0.343 1037 C C 0.835 176.089 174.990 0.440 0.000 1.349 1037 C CA 0.369 59.551 59.018 0.273 0.000 1.209 1037 C CB 0.473 28.290 27.740 0.127 0.000 1.475 1037 C HN 0.767 nan 8.230 nan 0.000 0.460 1038 E N 0.934 121.318 120.200 0.308 0.000 2.008 1038 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 1038 E C 1.618 178.244 176.600 0.044 0.000 0.986 1038 E CA 1.412 57.758 56.400 -0.090 0.000 0.807 1038 E CB -0.120 29.479 29.700 -0.169 0.000 0.766 1038 E HN 0.666 nan 8.360 nan 0.000 0.450 1039 K N 0.608 121.051 120.400 0.072 0.000 2.242 1039 K HA -0.217 4.103 4.320 -0.001 0.000 0.206 1039 K C 2.283 178.995 176.600 0.186 0.000 1.045 1039 K CA 1.827 58.199 56.287 0.142 0.000 0.930 1039 K CB -0.650 31.903 32.500 0.089 0.000 0.726 1039 K HN 0.270 nan 8.250 nan 0.000 0.462 1040 T N -1.398 113.264 114.554 0.180 0.000 2.770 1040 T HA -0.108 4.241 4.350 -0.001 0.000 0.263 1040 T C 2.207 177.114 174.700 0.345 0.000 1.039 1040 T CA 1.562 63.778 62.100 0.193 0.000 1.142 1040 T CB -0.218 68.719 68.868 0.116 0.000 0.868 1040 T HN 0.179 nan 8.240 nan 0.000 0.435 1041 S N -0.248 115.718 115.700 0.443 0.000 2.453 1041 S HA 0.083 4.552 4.470 -0.001 0.000 0.231 1041 S C 1.407 176.245 174.600 0.398 0.000 1.005 1041 S CA 0.543 59.048 58.200 0.508 0.000 0.949 1041 S CB -0.720 62.715 63.200 0.391 0.000 0.774 1041 S HN 0.582 nan 8.310 nan 0.000 0.510 1042 F N 1.674 121.652 119.950 0.046 0.000 2.148 1042 F HA 0.142 4.669 4.527 0.001 0.000 0.285 1042 F C 2.341 177.988 175.800 -0.256 0.000 1.092 1042 F CA 1.750 59.554 58.000 -0.326 0.000 1.218 1042 F CB -1.069 37.647 39.000 -0.473 0.000 1.059 1042 F HN 0.056 nan 8.300 nan 0.000 0.490 1043 T N 1.186 115.575 114.554 -0.275 0.000 2.684 1043 T HA -0.327 4.022 4.350 -0.001 0.000 0.267 1043 T C 1.654 176.198 174.700 -0.261 0.000 1.032 1043 T CA 2.436 64.334 62.100 -0.337 0.000 1.155 1043 T CB -0.841 68.022 68.868 -0.009 0.000 0.857 1043 T HN 0.466 nan 8.240 nan 0.000 0.457 1044 F N 0.251 120.078 119.950 -0.206 0.000 2.262 1044 F HA 0.172 4.698 4.527 -0.002 0.000 0.292 1044 F C 1.762 177.466 175.800 -0.161 0.000 1.081 1044 F CA 0.371 58.289 58.000 -0.136 0.000 1.355 1044 F CB -0.266 38.724 39.000 -0.016 0.000 1.069 1044 F HN -0.030 nan 8.300 nan 0.000 0.506 1045 L N 1.880 122.969 121.223 -0.223 0.000 2.083 1045 L HA -0.126 4.214 4.340 -0.001 0.000 0.209 1045 L C 2.604 179.271 176.870 -0.338 0.000 1.083 1045 L CA 1.973 56.652 54.840 -0.268 0.000 0.752 1045 L CB -1.130 41.030 42.059 0.168 0.000 0.899 1045 L HN 0.301 nan 8.230 nan 0.000 0.433 1046 R N -1.647 118.553 120.500 -0.501 0.000 2.328 1046 R HA -0.124 4.216 4.340 -0.001 0.000 0.207 1046 R C 1.796 177.836 176.300 -0.433 0.000 1.056 1046 R CA 0.854 56.651 56.100 -0.505 0.000 1.016 1046 R CB -0.180 29.601 30.300 -0.865 0.000 0.872 1046 R HN 0.266 nan 8.270 nan 0.000 0.471 1047 Q N 0.444 119.970 119.800 -0.456 0.000 2.471 1047 Q HA 0.030 4.370 4.340 -0.001 0.000 0.241 1047 Q C 1.419 177.124 176.000 -0.491 0.000 0.886 1047 Q CA 0.943 56.493 55.803 -0.421 0.000 0.953 1047 Q CB 0.466 29.000 28.738 -0.341 0.000 1.108 1047 Q HN 0.288 nan 8.270 nan 0.000 0.575 1048 E N 0.581 120.432 120.200 -0.581 0.000 2.047 1048 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 1048 E C 2.014 178.353 176.600 -0.435 0.000 0.987 1048 E CA 1.046 57.089 56.400 -0.596 0.000 0.799 1048 E CB -0.276 28.780 29.700 -1.072 0.000 0.752 1048 E HN 0.294 nan 8.360 nan 0.000 0.449 1049 L N 0.365 121.343 121.223 -0.409 0.000 2.056 1049 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 1049 L C -0.637 176.039 176.870 -0.323 0.000 1.078 1049 L CA 1.240 55.895 54.840 -0.308 0.000 0.749 1049 L CB -1.330 40.568 42.059 -0.269 0.000 0.901 1049 L HN 0.190 nan 8.230 nan 0.000 0.433 1050 P HA -0.124 nan 4.420 nan 0.000 0.218 1050 P C 1.918 178.908 177.300 -0.517 0.000 1.148 1050 P CA 1.066 63.749 63.100 -0.695 0.000 0.822 1050 P CB 0.099 30.927 31.700 -1.454 0.000 0.784 1051 V N -0.117 119.561 119.914 -0.393 0.000 2.358 1051 V HA -0.201 3.918 4.120 -0.001 0.000 0.246 1051 V C 2.492 178.555 176.094 -0.052 0.000 1.047 1051 V CA 1.728 63.957 62.300 -0.119 0.000 1.035 1051 V CB -0.832 30.913 31.823 -0.131 0.000 0.658 1051 V HN 0.085 nan 8.190 nan 0.000 0.452 1052 R N -0.461 119.971 120.500 -0.114 0.000 2.073 1052 R HA -0.014 4.325 4.340 -0.001 0.000 0.229 1052 R C 2.299 178.602 176.300 0.006 0.000 1.120 1052 R CA 1.191 57.254 56.100 -0.062 0.000 0.967 1052 R CB -0.405 29.832 30.300 -0.104 0.000 0.862 1052 R HN 0.400 nan 8.270 nan 0.000 0.436 1053 L N 0.264 121.490 121.223 0.005 0.000 2.027 1053 L HA -0.104 4.235 4.340 -0.001 0.000 0.206 1053 L C 2.657 179.619 176.870 0.154 0.000 1.074 1053 L CA 1.203 56.126 54.840 0.139 0.000 0.745 1053 L CB -0.534 41.588 42.059 0.105 0.000 0.898 1053 L HN 0.215 nan 8.230 nan 0.000 0.433 1054 A N -0.317 122.575 122.820 0.119 0.000 2.015 1054 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 1054 A C 2.042 179.723 177.584 0.162 0.000 1.163 1054 A CA 1.474 53.623 52.037 0.187 0.000 0.646 1054 A CB -0.588 18.587 19.000 0.291 0.000 0.806 1054 A HN 0.464 nan 8.150 nan 0.000 0.448 1055 N N -0.465 118.317 118.700 0.137 0.000 2.084 1055 N HA -0.141 4.598 4.740 -0.001 0.000 0.190 1055 N C 1.479 177.060 175.510 0.119 0.000 1.030 1055 N CA 1.655 54.780 53.050 0.125 0.000 0.849 1055 N CB -0.181 38.371 38.487 0.109 0.000 1.012 1055 N HN 0.440 nan 8.380 nan 0.000 0.423 1056 I N 1.204 121.839 120.570 0.109 0.000 3.059 1056 I HA 0.037 4.206 4.170 -0.001 0.000 0.270 1056 I C 1.857 178.046 176.117 0.121 0.000 1.238 1056 I CA 0.591 61.967 61.300 0.126 0.000 1.478 1056 I CB -0.141 37.895 38.000 0.059 0.000 1.097 1056 I HN 0.062 nan 8.210 nan 0.000 0.455 1057 M N -0.590 119.060 119.600 0.084 0.000 2.349 1057 M HA -0.106 4.374 4.480 -0.001 0.000 0.266 1057 M C 2.099 178.424 176.300 0.041 0.000 1.076 1057 M CA 1.077 56.400 55.300 0.038 0.000 1.126 1057 M CB -0.323 32.334 32.600 0.096 0.000 1.392 1057 M HN -0.011 nan 8.290 nan 0.000 0.440 1058 K N 1.083 121.530 120.400 0.078 0.000 2.147 1058 K HA -0.141 4.178 4.320 -0.001 0.000 0.205 1058 K C 1.625 178.245 176.600 0.034 0.000 1.049 1058 K CA 1.305 57.630 56.287 0.062 0.000 0.936 1058 K CB 0.120 32.672 32.500 0.087 0.000 0.722 1058 K HN 0.337 nan 8.250 nan 0.000 0.446 1059 E N -0.097 120.149 120.200 0.075 0.000 2.371 1059 E HA -0.051 4.298 4.350 -0.001 0.000 0.194 1059 E C 1.714 178.180 176.600 -0.224 0.000 1.012 1059 E CA 0.479 56.922 56.400 0.072 0.000 0.860 1059 E CB 0.154 30.044 29.700 0.317 0.000 0.811 1059 E HN 0.396 nan 8.360 nan 0.000 0.502 1060 I N 1.631 122.082 120.570 -0.199 0.000 2.761 1060 I HA -0.187 3.982 4.170 -0.001 0.000 0.261 1060 I C 1.034 176.958 176.117 -0.322 0.000 1.198 1060 I CA 0.821 61.869 61.300 -0.420 0.000 1.482 1060 I CB -0.121 37.728 38.000 -0.251 0.000 1.100 1060 I HN 0.110 nan 8.210 nan 0.000 0.445 1061 N N 0.096 118.686 118.700 -0.184 0.000 2.295 1061 N HA 0.058 4.798 4.740 -0.001 0.000 0.221 1061 N C 0.988 176.409 175.510 -0.150 0.000 1.129 1061 N CA -0.064 52.898 53.050 -0.148 0.000 0.836 1061 N CB 0.404 38.843 38.487 -0.081 0.000 1.040 1061 N HN 0.149 nan 8.380 nan 0.000 0.494 1062 L N 0.107 121.198 121.223 -0.219 0.000 2.616 1062 L HA 0.352 4.691 4.340 -0.001 0.000 0.229 1062 L C 0.283 177.022 176.870 -0.218 0.000 1.110 1062 L CA 0.042 54.780 54.840 -0.170 0.000 0.884 1062 L CB 0.055 42.045 42.059 -0.116 0.000 1.115 1062 L HN 0.249 nan 8.230 nan 0.000 0.481 1063 L N 0.367 121.388 121.223 -0.338 0.000 2.473 1063 L HA 0.175 4.514 4.340 -0.001 0.000 0.268 1063 L C -1.747 175.026 176.870 -0.162 0.000 1.215 1063 L CA -1.160 53.486 54.840 -0.322 0.000 0.823 1063 L CB -0.215 41.585 42.059 -0.431 0.000 1.099 1063 L HN -0.117 nan 8.230 nan 0.000 0.483 1064 P HA -0.046 nan 4.420 nan 0.000 0.261 1064 P C -0.148 177.158 177.300 0.011 0.000 1.183 1064 P CA 0.206 63.301 63.100 -0.010 0.000 0.761 1064 P CB 0.370 32.105 31.700 0.058 0.000 0.785 1065 D N 2.538 122.938 120.400 -0.001 0.000 2.315 1065 D HA -0.168 4.472 4.640 -0.001 0.000 0.211 1065 D C 1.666 177.970 176.300 0.008 0.000 0.977 1065 D CA 1.249 55.241 54.000 -0.013 0.000 0.894 1065 D CB 0.073 40.860 40.800 -0.022 0.000 0.910 1065 D HN 0.351 nan 8.370 nan 0.000 0.490 1066 R N -0.359 120.176 120.500 0.059 0.000 2.200 1066 R HA 0.009 4.348 4.340 -0.001 0.000 0.208 1066 R C 2.064 178.466 176.300 0.169 0.000 1.033 1066 R CA 0.240 56.340 56.100 0.001 0.000 1.000 1066 R CB 0.327 30.513 30.300 -0.190 0.000 0.906 1066 R HN 0.109 nan 8.270 nan 0.000 0.462 1067 V N -0.847 119.306 119.914 0.399 0.000 3.085 1067 V HA 0.073 4.193 4.120 -0.001 0.000 0.245 1067 V C 1.573 177.681 176.094 0.025 0.000 1.114 1067 V CA 0.653 63.117 62.300 0.273 0.000 1.108 1067 V CB 0.034 31.837 31.823 -0.033 0.000 0.798 1067 V HN 0.277 nan 8.190 nan 0.000 0.471 1068 L N 0.512 121.717 121.223 -0.030 0.000 2.083 1068 L HA -0.104 4.235 4.340 -0.001 0.000 0.209 1068 L C 2.443 179.268 176.870 -0.075 0.000 1.083 1068 L CA 2.197 56.978 54.840 -0.099 0.000 0.752 1068 L CB -0.198 41.797 42.059 -0.106 0.000 0.899 1068 L HN 0.472 nan 8.230 nan 0.000 0.433 1069 S N -1.327 114.350 115.700 -0.039 0.000 2.496 1069 S HA -0.022 4.447 4.470 -0.001 0.000 0.224 1069 S C 0.917 175.497 174.600 -0.034 0.000 0.996 1069 S CA 0.041 58.217 58.200 -0.039 0.000 0.927 1069 S CB -0.130 63.050 63.200 -0.033 0.000 0.774 1069 S HN 0.397 nan 8.310 nan 0.000 0.524 1070 T N 3.758 118.302 114.554 -0.017 0.000 2.939 1070 T HA 0.039 4.388 4.350 -0.001 0.000 0.319 1070 T C -1.545 173.128 174.700 -0.046 0.000 1.082 1070 T CA -0.720 61.372 62.100 -0.012 0.000 1.133 1070 T CB 0.662 69.541 68.868 0.020 0.000 1.019 1070 T HN 0.069 nan 8.240 nan 0.000 0.548 1071 P HA -0.041 nan 4.420 nan 0.000 0.214 1071 P C 1.753 178.996 177.300 -0.096 0.000 1.162 1071 P CA 0.837 63.903 63.100 -0.056 0.000 0.879 1071 P CB 0.032 31.713 31.700 -0.032 0.000 0.786 1072 S N -0.595 115.056 115.700 -0.083 0.000 2.387 1072 S HA -0.137 4.333 4.470 -0.001 0.000 0.230 1072 S C 1.980 176.456 174.600 -0.205 0.000 1.035 1072 S CA 1.339 59.464 58.200 -0.125 0.000 1.014 1072 S CB -1.306 61.854 63.200 -0.065 0.000 0.836 1072 S HN -0.074 nan 8.310 nan 0.000 0.466 1073 V N 1.595 121.407 119.914 -0.170 0.000 2.343 1073 V HA -0.247 3.873 4.120 -0.001 0.000 0.247 1073 V C 2.394 178.345 176.094 -0.238 0.000 1.051 1073 V CA 1.781 63.955 62.300 -0.211 0.000 1.036 1073 V CB -0.705 31.015 31.823 -0.173 0.000 0.654 1073 V HN 0.531 nan 8.190 nan 0.000 0.451 1074 Q N -0.769 118.911 119.800 -0.199 0.000 2.020 1074 Q HA -0.143 4.197 4.340 -0.001 0.000 0.198 1074 Q C 2.287 178.114 176.000 -0.288 0.000 0.974 1074 Q CA 1.427 57.115 55.803 -0.192 0.000 0.829 1074 Q CB -0.430 28.232 28.738 -0.127 0.000 0.894 1074 Q HN 0.502 nan 8.270 nan 0.000 0.433 1075 L N 0.973 121.994 121.223 -0.335 0.000 2.011 1075 L HA -0.264 4.076 4.340 -0.001 0.000 0.225 1075 L C 2.133 178.397 176.870 -1.009 0.000 1.084 1075 L CA 1.886 56.386 54.840 -0.566 0.000 0.791 1075 L CB -0.807 40.932 42.059 -0.533 0.000 0.898 1075 L HN 0.053 nan 8.230 nan 0.000 0.440 1076 V N -0.461 118.909 119.914 -0.907 0.000 2.594 1076 V HA -0.302 3.818 4.120 -0.001 0.000 0.253 1076 V C 2.568 178.547 176.094 -0.192 0.000 1.069 1076 V CA 1.897 63.737 62.300 -0.766 0.000 1.082 1076 V CB -0.763 30.849 31.823 -0.351 0.000 0.680 1076 V HN 0.723 nan 8.190 nan 0.000 0.469 1077 Q N 0.400 120.087 119.800 -0.188 0.000 2.079 1077 Q HA -0.214 4.125 4.340 -0.001 0.000 0.200 1077 Q C 2.478 178.519 176.000 0.067 0.000 0.974 1077 Q CA 1.981 57.767 55.803 -0.027 0.000 0.840 1077 Q CB -0.242 28.442 28.738 -0.090 0.000 0.898 1077 Q HN 0.673 nan 8.270 nan 0.000 0.430 1078 S N -0.399 115.269 115.700 -0.052 0.000 2.387 1078 S HA -0.179 4.291 4.470 -0.001 0.000 0.230 1078 S C 1.497 176.233 174.600 0.227 0.000 1.035 1078 S CA 1.315 59.540 58.200 0.041 0.000 1.014 1078 S CB -0.590 62.592 63.200 -0.031 0.000 0.836 1078 S HN 0.618 nan 8.310 nan 0.000 0.466 1079 W N 0.625 121.967 121.300 0.070 0.000 2.379 1079 W HA 0.092 4.751 4.660 -0.001 0.000 0.307 1079 W C 2.272 178.900 176.519 0.181 0.000 1.200 1079 W CA 0.270 57.629 57.345 0.022 0.000 1.297 1079 W CB -1.742 27.500 29.460 -0.363 0.000 1.140 1079 W HN 0.397 nan 8.180 nan 0.000 0.507 1080 Y N 0.118 120.630 120.300 0.352 0.000 2.333 1080 Y HA -0.172 4.379 4.550 0.000 0.000 0.290 1080 Y C 2.437 178.472 175.900 0.225 0.000 1.144 1080 Y CA 1.373 59.677 58.100 0.341 0.000 1.228 1080 Y CB -0.966 37.660 38.460 0.278 0.000 0.985 1080 Y HN -0.303 nan 8.280 nan 0.000 0.542 1081 V N -0.847 119.260 119.914 0.322 0.000 2.719 1081 V HA -0.203 3.916 4.120 -0.001 0.000 0.252 1081 V C 2.102 178.318 176.094 0.203 0.000 1.065 1081 V CA 1.533 63.975 62.300 0.237 0.000 1.086 1081 V CB -0.346 31.590 31.823 0.188 0.000 0.700 1081 V HN 0.239 nan 8.190 nan 0.000 0.467 1082 Q N 0.314 120.239 119.800 0.208 0.000 2.212 1082 Q HA 0.001 4.340 4.340 -0.001 0.000 0.199 1082 Q C 2.083 178.157 176.000 0.123 0.000 0.950 1082 Q CA 1.298 57.200 55.803 0.165 0.000 0.863 1082 Q CB -0.193 28.652 28.738 0.177 0.000 0.944 1082 Q HN 0.510 nan 8.270 nan 0.000 0.465 1083 S N -0.152 115.624 115.700 0.127 0.000 2.671 1083 S HA 0.115 4.584 4.470 -0.001 0.000 0.220 1083 S C 0.808 175.400 174.600 -0.014 0.000 0.951 1083 S CA 0.117 58.323 58.200 0.010 0.000 0.932 1083 S CB 0.065 63.207 63.200 -0.096 0.000 0.777 1083 S HN 0.381 nan 8.310 nan 0.000 0.508 1084 L N -0.569 120.680 121.223 0.043 0.000 2.806 1084 L HA 0.461 4.801 4.340 -0.001 0.000 0.242 1084 L C 1.289 178.158 176.870 -0.003 0.000 1.068 1084 L CA 1.039 55.881 54.840 0.003 0.000 0.923 1084 L CB -0.351 41.757 42.059 0.081 0.000 1.364 1084 L HN 0.179 nan 8.230 nan 0.000 0.511 1085 L N -0.011 121.246 121.223 0.057 0.000 2.044 1085 L HA -0.089 4.250 4.340 -0.001 0.000 0.205 1085 L C 1.980 178.880 176.870 0.051 0.000 1.075 1085 L CA 1.278 56.144 54.840 0.042 0.000 0.747 1085 L CB -0.714 41.406 42.059 0.102 0.000 0.903 1085 L HN 0.223 nan 8.230 nan 0.000 0.435 1086 D N 0.390 120.834 120.400 0.074 0.000 2.149 1086 D HA -0.171 4.469 4.640 -0.001 0.000 0.198 1086 D C 2.179 178.617 176.300 0.231 0.000 0.990 1086 D CA 1.247 55.322 54.000 0.125 0.000 0.839 1086 D CB 0.011 40.861 40.800 0.085 0.000 0.948 1086 D HN 0.275 nan 8.370 nan 0.000 0.460 1087 I N 0.020 120.661 120.570 0.119 0.000 2.761 1087 I HA -0.075 4.095 4.170 -0.001 0.000 0.261 1087 I C 2.109 178.346 176.117 0.200 0.000 1.198 1087 I CA 0.490 61.880 61.300 0.149 0.000 1.482 1087 I CB -0.317 37.656 38.000 -0.044 0.000 1.100 1087 I HN 0.032 nan 8.210 nan 0.000 0.445 1088 M N 0.605 120.243 119.600 0.062 0.000 2.419 1088 M HA -0.139 4.340 4.480 -0.001 0.000 0.264 1088 M C 2.129 178.445 176.300 0.026 0.000 1.082 1088 M CA 1.099 56.391 55.300 -0.012 0.000 1.119 1088 M CB -0.242 32.263 32.600 -0.159 0.000 1.398 1088 M HN 0.234 nan 8.290 nan 0.000 0.453 1089 E N 0.292 120.528 120.200 0.060 0.000 2.209 1089 E HA -0.207 4.142 4.350 -0.001 0.000 0.196 1089 E C 1.038 177.558 176.600 -0.134 0.000 0.993 1089 E CA 1.387 57.747 56.400 -0.066 0.000 0.819 1089 E CB -0.382 29.225 29.700 -0.156 0.000 0.745 1089 E HN 0.471 nan 8.360 nan 0.000 0.477 1090 F N 0.548 120.522 119.950 0.039 0.000 2.727 1090 F HA 0.276 4.802 4.527 -0.001 0.000 0.302 1090 F C 1.402 177.224 175.800 0.036 0.000 1.097 1090 F CA -0.064 57.988 58.000 0.086 0.000 1.330 1090 F CB 0.235 39.345 39.000 0.183 0.000 1.084 1090 F HN -0.086 nan 8.300 nan 0.000 0.578 1091 L N 0.811 122.110 121.223 0.128 0.000 2.711 1091 L HA -0.065 4.275 4.340 -0.001 0.000 0.242 1091 L C 1.173 178.072 176.870 0.047 0.000 1.153 1091 L CA 0.655 55.516 54.840 0.036 0.000 0.898 1091 L CB -0.466 41.615 42.059 0.036 0.000 1.044 1091 L HN 0.215 nan 8.230 nan 0.000 0.437 1092 D N -2.657 117.788 120.400 0.075 0.000 2.186 1092 D HA -0.027 4.612 4.640 -0.001 0.000 0.316 1092 D C 0.588 176.932 176.300 0.074 0.000 1.071 1092 D CA -0.222 53.812 54.000 0.056 0.000 0.869 1092 D CB 0.123 40.939 40.800 0.026 0.000 1.623 1092 D HN -0.008 nan 8.370 nan 0.000 0.531 1093 K N 1.048 121.508 120.400 0.099 0.000 2.440 1093 K HA 0.010 4.329 4.320 -0.001 0.000 0.270 1093 K C -0.050 176.610 176.600 0.101 0.000 0.980 1093 K CA -0.032 56.302 56.287 0.079 0.000 0.953 1093 K CB 0.404 32.947 32.500 0.072 0.000 0.925 1093 K HN 0.005 nan 8.250 nan 0.000 0.497 1094 D N 3.125 123.543 120.400 0.029 0.000 2.359 1094 D HA 0.024 4.664 4.640 -0.001 0.000 0.273 1094 D C -1.755 174.514 176.300 -0.051 0.000 1.362 1094 D CA -1.916 52.092 54.000 0.012 0.000 1.010 1094 D CB 0.650 41.447 40.800 -0.005 0.000 1.090 1094 D HN 0.138 nan 8.370 nan 0.000 0.521 1095 P HA -0.138 nan 4.420 nan 0.000 0.225 1095 P C 0.103 177.323 177.300 -0.134 0.000 1.141 1095 P CA 1.010 64.027 63.100 -0.139 0.000 0.774 1095 P CB 0.183 32.017 31.700 0.223 0.000 0.760 1096 E N -0.302 119.860 120.200 -0.063 0.000 2.419 1096 E HA 0.028 4.377 4.350 -0.001 0.000 0.190 1096 E C 0.076 176.651 176.600 -0.041 0.000 1.040 1096 E CA -0.083 56.292 56.400 -0.041 0.000 0.900 1096 E CB -0.034 29.660 29.700 -0.010 0.000 1.054 1096 E HN 0.506 nan 8.360 nan 0.000 0.462 1097 D N -1.212 119.154 120.400 -0.056 0.000 2.457 1097 D HA 0.066 4.705 4.640 -0.001 0.000 0.240 1097 D C 0.429 176.743 176.300 0.023 0.000 1.041 1097 D CA -0.706 53.291 54.000 -0.005 0.000 0.861 1097 D CB 1.475 42.280 40.800 0.009 0.000 1.394 1097 D HN -0.032 nan 8.370 nan 0.000 0.473 1098 H N 1.354 120.409 119.070 -0.025 0.000 2.255 1098 H HA -0.185 4.371 4.556 -0.001 0.000 0.290 1098 H C 1.948 177.267 175.328 -0.015 0.000 1.087 1098 H CA 2.172 58.211 56.048 -0.015 0.000 1.213 1098 H CB 0.405 30.167 29.762 -0.000 0.000 1.349 1098 H HN 0.341 nan 8.280 nan 0.000 0.487 1099 R N -0.669 119.934 120.500 0.170 0.000 2.120 1099 R HA -0.112 4.227 4.340 -0.001 0.000 0.234 1099 R C 2.358 178.704 176.300 0.077 0.000 1.123 1099 R CA 1.587 57.757 56.100 0.118 0.000 0.975 1099 R CB -0.310 30.029 30.300 0.064 0.000 0.866 1099 R HN 0.426 nan 8.270 nan 0.000 0.446 1100 T N 1.838 116.393 114.554 0.003 0.000 2.699 1100 T HA -0.160 4.189 4.350 -0.001 0.000 0.268 1100 T C 1.866 176.533 174.700 -0.056 0.000 1.036 1100 T CA 1.177 63.257 62.100 -0.033 0.000 1.147 1100 T CB -0.156 68.581 68.868 -0.219 0.000 0.862 1100 T HN 0.162 nan 8.240 nan 0.000 0.446 1101 L N 1.365 122.510 121.223 -0.131 0.000 2.017 1101 L HA -0.096 4.243 4.340 -0.001 0.000 0.208 1101 L C 2.932 179.841 176.870 0.066 0.000 1.073 1101 L CA 1.807 56.584 54.840 -0.107 0.000 0.745 1101 L CB -0.936 41.036 42.059 -0.145 0.000 0.894 1101 L HN 0.423 nan 8.230 nan 0.000 0.432 1102 S N -1.422 114.348 115.700 0.117 0.000 2.481 1102 S HA -0.162 4.308 4.470 -0.001 0.000 0.231 1102 S C 1.790 176.477 174.600 0.144 0.000 0.996 1102 S CA 0.524 58.816 58.200 0.153 0.000 0.942 1102 S CB -0.077 63.247 63.200 0.206 0.000 0.768 1102 S HN 0.428 nan 8.310 nan 0.000 0.520 1103 Q N -0.487 119.428 119.800 0.191 0.000 2.137 1103 Q HA 0.113 4.452 4.340 -0.001 0.000 0.198 1103 Q C 1.722 177.898 176.000 0.292 0.000 0.960 1103 Q CA 1.002 56.975 55.803 0.283 0.000 0.847 1103 Q CB -0.206 28.760 28.738 0.381 0.000 0.915 1103 Q HN 0.613 nan 8.270 nan 0.000 0.448 1104 F N 1.085 120.981 119.950 -0.090 0.000 2.075 1104 F HA -0.208 4.318 4.527 -0.002 0.000 0.297 1104 F C 2.151 177.743 175.800 -0.346 0.000 1.113 1104 F CA 1.795 59.452 58.000 -0.571 0.000 1.218 1104 F CB -0.642 38.038 39.000 -0.533 0.000 0.984 1104 F HN -0.047 nan 8.300 nan 0.000 0.472 1105 T N -0.019 114.440 114.554 -0.158 0.000 2.759 1105 T HA -0.209 4.141 4.350 -0.001 0.000 0.269 1105 T C 1.395 176.012 174.700 -0.138 0.000 1.042 1105 T CA 1.775 63.796 62.100 -0.131 0.000 1.140 1105 T CB -0.482 68.469 68.868 0.138 0.000 0.864 1105 T HN 0.221 nan 8.240 nan 0.000 0.455 1106 D N 1.179 121.544 120.400 -0.058 0.000 2.117 1106 D HA 0.051 4.691 4.640 -0.001 0.000 0.198 1106 D C 2.350 178.608 176.300 -0.070 0.000 0.982 1106 D CA 1.166 55.150 54.000 -0.026 0.000 0.828 1106 D CB -0.484 40.343 40.800 0.044 0.000 0.967 1106 D HN 0.396 nan 8.370 nan 0.000 0.464 1107 A N 0.121 122.882 122.820 -0.098 0.000 1.902 1107 A HA -0.137 4.183 4.320 -0.001 0.000 0.217 1107 A C 2.121 179.553 177.584 -0.253 0.000 1.181 1107 A CA 1.031 52.996 52.037 -0.119 0.000 0.623 1107 A CB -0.763 18.176 19.000 -0.102 0.000 0.818 1107 A HN 0.171 nan 8.150 nan 0.000 0.443 1108 L N -0.501 120.468 121.223 -0.423 0.000 2.046 1108 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 1108 L C 2.570 179.280 176.870 -0.267 0.000 1.077 1108 L CA 1.375 55.951 54.840 -0.440 0.000 0.747 1108 L CB -0.511 41.166 42.059 -0.636 0.000 0.896 1108 L HN 0.220 nan 8.230 nan 0.000 0.432 1109 V N -0.831 118.968 119.914 -0.190 0.000 2.282 1109 V HA -0.362 3.758 4.120 -0.001 0.000 0.249 1109 V C 2.438 178.456 176.094 -0.126 0.000 1.057 1109 V CA 2.383 64.609 62.300 -0.124 0.000 1.032 1109 V CB -1.146 30.631 31.823 -0.077 0.000 0.645 1109 V HN 0.539 nan 8.190 nan 0.000 0.447 1110 T N 0.381 114.862 114.554 -0.123 0.000 2.708 1110 T HA -0.126 4.223 4.350 -0.001 0.000 0.266 1110 T C 1.829 176.442 174.700 -0.145 0.000 1.037 1110 T CA 1.889 63.924 62.100 -0.109 0.000 1.146 1110 T CB -0.326 68.497 68.868 -0.074 0.000 0.865 1110 T HN 0.379 nan 8.240 nan 0.000 0.435 1111 I N 0.685 121.140 120.570 -0.193 0.000 2.286 1111 I HA -0.147 4.023 4.170 -0.001 0.000 0.248 1111 I C 2.846 178.774 176.117 -0.316 0.000 1.115 1111 I CA 1.222 62.356 61.300 -0.277 0.000 1.392 1111 I CB -0.388 37.400 38.000 -0.353 0.000 1.065 1111 I HN 0.116 nan 8.210 nan 0.000 0.418 1112 R N 0.905 121.257 120.500 -0.247 0.000 2.148 1112 R HA -0.090 4.249 4.340 -0.001 0.000 0.223 1112 R C 1.872 178.088 176.300 -0.140 0.000 1.088 1112 R CA 0.995 56.982 56.100 -0.188 0.000 0.985 1112 R CB 0.004 30.212 30.300 -0.153 0.000 0.880 1112 R HN 0.382 nan 8.270 nan 0.000 0.451 1113 N N 0.614 119.229 118.700 -0.142 0.000 2.290 1113 N HA -0.113 4.626 4.740 -0.001 0.000 0.179 1113 N C 1.692 177.088 175.510 -0.189 0.000 1.016 1113 N CA 0.674 53.645 53.050 -0.132 0.000 0.871 1113 N CB -0.175 38.246 38.487 -0.110 0.000 0.987 1113 N HN 0.221 nan 8.380 nan 0.000 0.431 1114 R N 0.619 120.989 120.500 -0.217 0.000 2.091 1114 R HA -0.064 4.276 4.340 -0.001 0.000 0.238 1114 R C 1.029 176.975 176.300 -0.589 0.000 1.136 1114 R CA 1.386 57.263 56.100 -0.373 0.000 0.959 1114 R CB -0.138 30.018 30.300 -0.239 0.000 0.856 1114 R HN 0.432 nan 8.270 nan 0.000 0.437 1115 H N -0.507 118.271 119.070 -0.486 0.000 2.538 1115 H HA 0.119 4.674 4.556 -0.002 0.000 0.286 1115 H C 0.637 175.863 175.328 -0.170 0.000 1.035 1115 H CA -0.376 55.473 56.048 -0.332 0.000 1.169 1115 H CB 0.348 30.021 29.762 -0.148 0.000 1.417 1115 H HN 0.283 nan 8.280 nan 0.000 0.567 1116 N N 0.732 119.363 118.700 -0.116 0.000 2.512 1116 N HA -0.082 4.658 4.740 -0.001 0.000 0.183 1116 N C 0.146 175.669 175.510 0.022 0.000 1.073 1116 N CA 0.846 53.877 53.050 -0.033 0.000 0.911 1116 N CB 0.237 38.690 38.487 -0.056 0.000 0.964 1116 N HN 0.420 nan 8.380 nan 0.000 0.447 1117 D N -0.051 120.373 120.400 0.040 0.000 2.643 1117 D HA 0.109 4.749 4.640 -0.001 0.000 0.244 1117 D C 1.364 177.874 176.300 0.351 0.000 1.257 1117 D CA -0.127 53.978 54.000 0.176 0.000 0.831 1117 D CB 0.675 41.591 40.800 0.193 0.000 1.043 1117 D HN -0.106 nan 8.370 nan 0.000 0.488 1118 V N 0.072 120.224 119.914 0.396 0.000 2.594 1118 V HA -0.171 3.948 4.120 -0.001 0.000 0.253 1118 V C 2.296 178.572 176.094 0.303 0.000 1.069 1118 V CA 1.154 63.746 62.300 0.487 0.000 1.082 1118 V CB 0.126 32.264 31.823 0.527 0.000 0.680 1118 V HN 0.158 nan 8.190 nan 0.000 0.469 1119 V N -0.335 119.670 119.914 0.151 0.000 2.500 1119 V HA 0.001 4.121 4.120 -0.001 0.000 0.243 1119 V C -0.184 175.823 176.094 -0.144 0.000 1.039 1119 V CA 1.503 63.771 62.300 -0.054 0.000 1.053 1119 V CB -1.106 30.539 31.823 -0.298 0.000 0.695 1119 V HN 0.468 nan 8.190 nan 0.000 0.463 1120 P HA -0.065 nan 4.420 nan 0.000 0.222 1120 P C 1.589 178.919 177.300 0.050 0.000 1.147 1120 P CA 1.435 64.522 63.100 -0.021 0.000 0.790 1120 P CB -0.037 31.672 31.700 0.015 0.000 0.780 1121 T N -1.291 113.306 114.554 0.072 0.000 2.814 1121 T HA 0.024 4.373 4.350 -0.001 0.000 0.254 1121 T C 1.772 176.467 174.700 -0.008 0.000 1.037 1121 T CA 0.892 63.017 62.100 0.042 0.000 1.143 1121 T CB -0.505 68.380 68.868 0.029 0.000 0.866 1121 T HN -0.035 nan 8.240 nan 0.000 0.431 1122 M N 1.530 121.133 119.600 0.005 0.000 2.149 1122 M HA 0.012 4.491 4.480 -0.001 0.000 0.261 1122 M C 2.750 179.053 176.300 0.005 0.000 1.064 1122 M CA 1.202 56.482 55.300 -0.034 0.000 1.102 1122 M CB -1.286 31.312 32.600 -0.002 0.000 1.369 1122 M HN 0.314 nan 8.290 nan 0.000 0.408 1123 A N -0.591 122.251 122.820 0.036 0.000 1.972 1123 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 1123 A C 2.080 179.741 177.584 0.129 0.000 1.169 1123 A CA 1.818 53.919 52.037 0.107 0.000 0.635 1123 A CB -0.606 18.473 19.000 0.131 0.000 0.810 1123 A HN 0.500 nan 8.150 nan 0.000 0.446 1124 Q N -0.493 119.360 119.800 0.089 0.000 2.331 1124 Q HA 0.087 4.427 4.340 -0.001 0.000 0.203 1124 Q C 1.723 177.759 176.000 0.059 0.000 0.944 1124 Q CA 1.367 57.221 55.803 0.084 0.000 0.892 1124 Q CB -0.528 28.252 28.738 0.069 0.000 0.983 1124 Q HN 0.489 nan 8.270 nan 0.000 0.482 1125 G N -1.276 107.538 108.800 0.023 0.000 2.623 1125 G HA2 -0.013 3.947 3.960 -0.001 0.000 0.214 1125 G HA3 -0.013 3.947 3.960 -0.001 0.000 0.214 1125 G C 0.970 175.888 174.900 0.031 0.000 1.138 1125 G CA 0.662 45.767 45.100 0.007 0.000 0.794 1125 G HN 0.272 nan 8.290 nan 0.000 0.535 1126 V N 0.224 120.159 119.914 0.035 0.000 3.644 1126 V HA 0.201 4.320 4.120 -0.001 0.000 0.267 1126 V C 2.184 178.342 176.094 0.107 0.000 1.277 1126 V CA 0.362 62.672 62.300 0.017 0.000 1.096 1126 V CB 0.589 32.414 31.823 0.004 0.000 0.828 1126 V HN 0.370 nan 8.190 nan 0.000 0.446 1127 L N 0.349 121.654 121.223 0.136 0.000 2.127 1127 L HA 0.168 4.507 4.340 -0.001 0.000 0.203 1127 L C 1.352 178.307 176.870 0.142 0.000 1.080 1127 L CA 1.339 56.268 54.840 0.148 0.000 0.768 1127 L CB 0.175 42.324 42.059 0.150 0.000 0.924 1127 L HN 0.323 nan 8.230 nan 0.000 0.444 1128 E N -0.168 120.114 120.200 0.136 0.000 2.035 1128 E HA 0.161 4.511 4.350 -0.001 0.000 0.271 1128 E C -1.654 175.057 176.600 0.184 0.000 0.953 1128 E CA -0.379 56.091 56.400 0.116 0.000 0.777 1128 E CB 0.618 30.365 29.700 0.078 0.000 1.104 1128 E HN 0.321 nan 8.360 nan 0.000 0.408 1137 P HA 0.012 nan 4.420 nan 0.000 0.281 1137 P C 0.380 177.757 177.300 0.128 0.000 1.274 1137 P CA -0.482 62.658 63.100 0.067 0.000 0.794 1137 P CB 0.618 32.348 31.700 0.049 0.000 1.201 1138 V N 0.846 120.835 119.914 0.124 0.000 2.107 1138 V HA -0.027 4.092 4.120 -0.001 0.000 0.229 1138 V C 1.443 177.590 176.094 0.088 0.000 1.545 1138 V CA 1.729 64.098 62.300 0.114 0.000 1.546 1138 V CB -1.619 30.260 31.823 0.094 0.000 1.542 1138 V HN 0.574 nan 8.190 nan 0.000 0.492 1139 S N 1.874 117.627 115.700 0.088 0.000 3.325 1139 S HA 0.194 4.664 4.470 -0.001 0.000 0.254 1139 S C 0.838 175.477 174.600 0.064 0.000 1.084 1139 S CA -0.245 57.994 58.200 0.065 0.000 0.786 1139 S CB 0.409 63.638 63.200 0.049 0.000 0.849 1139 S HN 0.631 nan 8.310 nan 0.000 0.483 1140 N N 3.012 121.753 118.700 0.068 0.000 3.091 1140 N HA 0.303 5.043 4.740 -0.001 0.000 0.255 1140 N C -1.272 174.276 175.510 0.064 0.000 1.204 1140 N CA -0.029 53.055 53.050 0.057 0.000 0.990 1140 N CB 1.048 39.561 38.487 0.043 0.000 1.260 1140 N HN 0.473 nan 8.380 nan 0.000 0.502 1141 Q N 0.603 120.445 119.800 0.071 0.000 3.026 1141 Q HA 0.194 4.533 4.340 -0.001 0.000 0.258 1141 Q C 0.573 176.619 176.000 0.076 0.000 1.388 1141 Q CA -0.047 55.793 55.803 0.062 0.000 1.000 1141 Q CB -0.077 28.711 28.738 0.083 0.000 1.634 1141 Q HN 0.269 nan 8.270 nan 0.000 0.571 1142 N N 0.945 119.678 118.700 0.056 0.000 2.501 1142 N HA -0.008 4.731 4.740 -0.001 0.000 0.195 1142 N C 0.585 176.156 175.510 0.102 0.000 1.213 1142 N CA 0.417 53.516 53.050 0.081 0.000 0.864 1142 N CB 0.349 38.861 38.487 0.042 0.000 0.999 1142 N HN 0.505 nan 8.380 nan 0.000 0.454 1143 I N 0.397 120.996 120.570 0.049 0.000 2.761 1143 I HA -0.205 3.965 4.170 -0.001 0.000 0.261 1143 I C 2.557 178.713 176.117 0.065 0.000 1.198 1143 I CA 0.687 61.994 61.300 0.011 0.000 1.482 1143 I CB 0.070 38.009 38.000 -0.102 0.000 1.100 1143 I HN 0.017 nan 8.210 nan 0.000 0.445 1144 Q N 0.611 120.525 119.800 0.189 0.000 2.016 1144 Q HA -0.267 4.073 4.340 -0.001 0.000 0.200 1144 Q C 2.243 178.404 176.000 0.269 0.000 0.978 1144 Q CA 1.967 57.976 55.803 0.344 0.000 0.833 1144 Q CB -0.608 28.343 28.738 0.355 0.000 0.895 1144 Q HN 0.537 nan 8.270 nan 0.000 0.427 1145 Y N -0.007 120.372 120.300 0.132 0.000 2.128 1145 Y HA -0.259 4.288 4.550 -0.004 0.000 0.284 1145 Y C 1.969 177.919 175.900 0.083 0.000 1.154 1145 Y CA 2.151 60.315 58.100 0.107 0.000 1.149 1145 Y CB -0.651 37.863 38.460 0.091 0.000 0.976 1145 Y HN 0.323 nan 8.280 nan 0.000 0.505 1146 F N -0.218 119.746 119.950 0.022 0.000 2.146 1146 F HA -0.168 4.357 4.527 -0.005 0.000 0.298 1146 F C 1.685 177.356 175.800 -0.216 0.000 1.096 1146 F CA 1.381 59.312 58.000 -0.114 0.000 1.275 1146 F CB -0.690 38.253 39.000 -0.095 0.000 1.008 1146 F HN 0.074 nan 8.300 nan 0.000 0.480 1147 L N 0.628 121.559 121.223 -0.487 0.000 2.141 1147 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 1147 L C 2.171 178.733 176.870 -0.513 0.000 1.094 1147 L CA 1.562 55.895 54.840 -0.846 0.000 0.763 1147 L CB -1.137 40.352 42.059 -0.950 0.000 0.908 1147 L HN 0.121 nan 8.230 nan 0.000 0.437 1148 D N -0.466 119.841 120.400 -0.154 0.000 2.097 1148 D HA -0.168 4.471 4.640 -0.001 0.000 0.195 1148 D C 2.344 178.548 176.300 -0.159 0.000 0.989 1148 D CA 1.141 55.153 54.000 0.021 0.000 0.827 1148 D CB 0.067 40.899 40.800 0.053 0.000 0.966 1148 D HN 0.305 nan 8.370 nan 0.000 0.456 1149 R N -0.332 119.972 120.500 -0.326 0.000 2.066 1149 R HA -0.083 4.256 4.340 -0.001 0.000 0.232 1149 R C 2.346 178.413 176.300 -0.388 0.000 1.131 1149 R CA 0.715 56.619 56.100 -0.326 0.000 0.955 1149 R CB -0.547 29.543 30.300 -0.351 0.000 0.851 1149 R HN 0.161 nan 8.270 nan 0.000 0.432 1150 F N 0.715 120.146 119.950 -0.866 0.000 2.095 1150 F HA -0.230 4.295 4.527 -0.004 0.000 0.298 1150 F C 1.661 177.160 175.800 -0.501 0.000 1.104 1150 F CA 1.469 58.910 58.000 -0.931 0.000 1.232 1150 F CB -0.286 37.673 39.000 -1.734 0.000 0.987 1150 F HN -0.012 nan 8.300 nan 0.000 0.475 1151 Y N -0.878 119.187 120.300 -0.391 0.000 2.395 1151 Y HA -0.130 4.421 4.550 0.001 0.000 0.293 1151 Y C 2.496 178.145 175.900 -0.418 0.000 1.123 1151 Y CA 0.194 58.067 58.100 -0.377 0.000 1.227 1151 Y CB -0.120 38.237 38.460 -0.171 0.000 1.012 1151 Y HN 0.126 nan 8.280 nan 0.000 0.552 1152 L N -0.291 120.804 121.223 -0.214 0.000 2.109 1152 L HA -0.192 4.147 4.340 -0.001 0.000 0.207 1152 L C 2.638 179.322 176.870 -0.310 0.000 1.086 1152 L CA 1.788 56.473 54.840 -0.259 0.000 0.760 1152 L CB -0.513 41.470 42.059 -0.126 0.000 0.910 1152 L HN 0.303 nan 8.230 nan 0.000 0.437 1153 S N -0.051 115.481 115.700 -0.281 0.000 2.368 1153 S HA -0.287 4.182 4.470 -0.001 0.000 0.225 1153 S C 2.146 176.566 174.600 -0.301 0.000 1.030 1153 S CA 1.410 59.460 58.200 -0.250 0.000 0.999 1153 S CB -0.340 62.727 63.200 -0.222 0.000 0.844 1153 S HN 0.513 nan 8.310 nan 0.000 0.459 1154 R N 0.732 120.993 120.500 -0.397 0.000 2.073 1154 R HA 0.019 4.358 4.340 -0.001 0.000 0.234 1154 R C 2.264 178.377 176.300 -0.313 0.000 1.134 1154 R CA 1.847 57.750 56.100 -0.328 0.000 0.952 1154 R CB -0.639 29.455 30.300 -0.342 0.000 0.850 1154 R HN 0.551 nan 8.270 nan 0.000 0.433 1155 I N 1.311 121.612 120.570 -0.448 0.000 2.208 1155 I HA -0.299 3.871 4.170 -0.001 0.000 0.245 1155 I C 2.576 178.378 176.117 -0.525 0.000 1.097 1155 I CA 1.766 62.721 61.300 -0.576 0.000 1.363 1155 I CB -0.381 37.043 38.000 -0.961 0.000 1.051 1155 I HN 0.393 nan 8.210 nan 0.000 0.413 1156 S N 0.717 116.068 115.700 -0.581 0.000 2.423 1156 S HA -0.069 4.400 4.470 -0.001 0.000 0.231 1156 S C 1.930 176.480 174.600 -0.083 0.000 1.014 1156 S CA 0.802 58.820 58.200 -0.303 0.000 0.965 1156 S CB -0.609 62.516 63.200 -0.125 0.000 0.785 1156 S HN 0.400 nan 8.310 nan 0.000 0.495 1157 I N 0.996 121.479 120.570 -0.144 0.000 2.406 1157 I HA 0.100 4.269 4.170 -0.001 0.000 0.249 1157 I C 2.990 179.045 176.117 -0.104 0.000 1.122 1157 I CA 0.701 61.933 61.300 -0.114 0.000 1.431 1157 I CB -0.161 37.751 38.000 -0.146 0.000 1.087 1157 I HN 0.184 nan 8.210 nan 0.000 0.424 1158 R N -0.304 120.126 120.500 -0.117 0.000 2.148 1158 R HA -0.123 4.216 4.340 -0.001 0.000 0.223 1158 R C 2.164 178.457 176.300 -0.011 0.000 1.088 1158 R CA 1.011 57.062 56.100 -0.081 0.000 0.985 1158 R CB -0.115 30.137 30.300 -0.081 0.000 0.880 1158 R HN 0.195 nan 8.270 nan 0.000 0.451 1159 M N 0.792 120.407 119.600 0.025 0.000 2.065 1159 M HA -0.156 4.323 4.480 -0.001 0.000 0.259 1159 M C 1.806 178.188 176.300 0.136 0.000 1.071 1159 M CA 1.738 57.098 55.300 0.099 0.000 1.109 1159 M CB -0.467 32.252 32.600 0.199 0.000 1.313 1159 M HN 0.079 nan 8.290 nan 0.000 0.408 1160 L N -0.951 120.382 121.223 0.184 0.000 2.012 1160 L HA -0.264 4.076 4.340 -0.001 0.000 0.210 1160 L C 2.440 179.361 176.870 0.084 0.000 1.073 1160 L CA 1.548 56.502 54.840 0.190 0.000 0.748 1160 L CB -0.927 41.196 42.059 0.108 0.000 0.891 1160 L HN 0.327 nan 8.230 nan 0.000 0.431 1161 I N 0.058 120.622 120.570 -0.011 0.000 2.142 1161 I HA -0.293 3.876 4.170 -0.001 0.000 0.240 1161 I C 2.125 178.239 176.117 -0.005 0.000 1.078 1161 I CA 1.737 62.992 61.300 -0.075 0.000 1.343 1161 I CB -0.409 37.501 38.000 -0.150 0.000 1.046 1161 I HN 0.302 nan 8.210 nan 0.000 0.405 1162 N N 0.009 118.712 118.700 0.004 0.000 2.205 1162 N HA -0.213 4.526 4.740 -0.001 0.000 0.186 1162 N C 1.800 177.330 175.510 0.034 0.000 1.015 1162 N CA 0.744 53.802 53.050 0.013 0.000 0.862 1162 N CB -0.012 38.480 38.487 0.010 0.000 0.986 1162 N HN 0.334 nan 8.380 nan 0.000 0.429 1163 Q N 0.033 119.867 119.800 0.056 0.000 2.167 1163 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 1163 Q C 1.799 177.847 176.000 0.080 0.000 0.970 1163 Q CA 1.199 57.026 55.803 0.040 0.000 0.855 1163 Q CB -0.371 28.413 28.738 0.077 0.000 0.911 1163 Q HN 0.612 nan 8.270 nan 0.000 0.438 1164 H N 0.332 119.453 119.070 0.085 0.000 2.294 1164 H HA -0.008 4.548 4.556 -0.001 0.000 0.306 1164 H C 1.454 176.922 175.328 0.234 0.000 1.065 1164 H CA 1.872 58.069 56.048 0.249 0.000 1.343 1164 H CB 0.347 30.137 29.762 0.047 0.000 1.396 1164 H HN 0.174 nan 8.280 nan 0.000 0.506 1165 T N 1.627 116.346 114.554 0.274 0.000 2.849 1165 T HA -0.096 4.253 4.350 -0.001 0.000 0.270 1165 T C 2.337 177.084 174.700 0.077 0.000 1.066 1165 T CA 1.062 63.260 62.100 0.164 0.000 1.130 1165 T CB -0.102 68.798 68.868 0.053 0.000 0.864 1165 T HN 0.215 nan 8.240 nan 0.000 0.481 1166 L N -0.183 121.062 121.223 0.036 0.000 2.168 1166 L HA 0.236 4.575 4.340 -0.001 0.000 0.203 1166 L C 2.311 179.129 176.870 -0.087 0.000 1.078 1166 L CA 0.703 55.531 54.840 -0.021 0.000 0.780 1166 L CB -0.191 41.852 42.059 -0.027 0.000 0.939 1166 L HN 0.218 nan 8.230 nan 0.000 0.451 1167 I N -1.086 119.379 120.570 -0.174 0.000 2.830 1167 I HA -0.216 3.954 4.170 -0.001 0.000 0.263 1167 I C 1.513 177.250 176.117 -0.633 0.000 1.230 1167 I CA 1.464 62.495 61.300 -0.448 0.000 1.480 1167 I CB -0.004 37.545 38.000 -0.751 0.000 1.095 1167 I HN 0.211 nan 8.210 nan 0.000 0.455 1168 F N -0.112 119.732 119.950 -0.176 0.000 2.699 1168 F HA 0.058 4.584 4.527 -0.001 0.000 0.295 1168 F C 1.298 177.049 175.800 -0.082 0.000 1.052 1168 F CA -0.890 57.010 58.000 -0.167 0.000 1.239 1168 F CB -0.247 38.551 39.000 -0.337 0.000 1.018 1168 F HN 0.025 nan 8.300 nan 0.000 0.627 1178 K N 0.781 121.239 120.400 0.097 0.000 3.333 1178 K HA 0.284 4.603 4.320 -0.001 0.000 0.173 1178 K C -1.381 175.312 176.600 0.155 0.000 1.138 1178 K CA -0.239 56.073 56.287 0.042 0.000 0.771 1178 K CB -0.935 31.586 32.500 0.036 0.000 0.982 1178 K HN 0.448 nan 8.250 nan 0.000 0.572 1179 H N 1.305 120.357 119.070 -0.029 0.000 2.582 1179 H HA 0.317 4.872 4.556 -0.001 0.000 0.345 1179 H C -0.243 175.056 175.328 -0.048 0.000 1.104 1179 H CA -0.885 55.141 56.048 -0.037 0.000 1.390 1179 H CB 1.411 31.148 29.762 -0.043 0.000 1.461 1179 H HN 0.177 nan 8.280 nan 0.000 0.551 1180 I N 3.286 123.901 120.570 0.075 0.000 2.317 1180 I HA 0.196 4.365 4.170 -0.001 0.000 0.286 1180 I C 1.051 177.161 176.117 -0.012 0.000 1.119 1180 I CA 0.435 61.744 61.300 0.016 0.000 1.228 1180 I CB 0.261 38.276 38.000 0.026 0.000 1.476 1180 I HN 1.043 nan 8.210 nan 0.000 0.514 1181 G N 4.028 112.813 108.800 -0.025 0.000 2.520 1181 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.248 1181 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.248 1181 G C 0.697 175.587 174.900 -0.015 0.000 1.161 1181 G CA 0.139 45.214 45.100 -0.042 0.000 0.946 1181 G HN 0.587 nan 8.290 nan 0.000 0.565 1182 S N 0.000 115.666 115.700 -0.057 0.000 2.593 1182 S HA 0.480 4.949 4.470 -0.001 0.000 0.217 1182 S C 0.948 175.472 174.600 -0.127 0.000 0.966 1182 S CA 0.611 58.780 58.200 -0.053 0.000 0.914 1182 S CB -0.002 63.165 63.200 -0.054 0.000 0.776 1182 S HN 0.677 nan 8.310 nan 0.000 0.523 1183 I N 2.594 123.071 120.570 -0.154 0.000 2.342 1183 I HA 0.329 4.498 4.170 -0.001 0.000 0.291 1183 I C -0.426 175.570 176.117 -0.201 0.000 1.010 1183 I CA -0.479 60.690 61.300 -0.218 0.000 1.308 1183 I CB 0.983 38.847 38.000 -0.226 0.000 1.400 1183 I HN 0.008 nan 8.210 nan 0.000 0.488 1184 D N 8.731 128.955 120.400 -0.293 0.000 2.349 1184 D HA 0.307 4.946 4.640 -0.001 0.000 0.232 1184 D C -1.995 174.213 176.300 -0.153 0.000 1.071 1184 D CA -2.342 51.440 54.000 -0.363 0.000 0.832 1184 D CB 2.173 42.600 40.800 -0.621 0.000 1.086 1184 D HN 0.139 nan 8.370 nan 0.000 0.504 1185 P HA 0.029 nan 4.420 nan 0.000 0.225 1185 P C -0.233 177.072 177.300 0.009 0.000 1.156 1185 P CA 0.558 63.644 63.100 -0.025 0.000 0.787 1185 P CB 0.149 31.849 31.700 -0.000 0.000 0.802 1186 N N -0.701 118.017 118.700 0.030 0.000 2.790 1186 N HA 0.128 4.867 4.740 -0.001 0.000 0.256 1186 N C -1.332 174.270 175.510 0.153 0.000 1.409 1186 N CA -0.453 52.663 53.050 0.109 0.000 0.799 1186 N CB -0.061 38.486 38.487 0.101 0.000 1.170 1186 N HN -0.112 nan 8.380 nan 0.000 0.507 1187 C N 1.590 120.931 119.300 0.069 0.000 2.307 1187 C HA 0.425 4.884 4.460 -0.001 0.000 0.340 1187 C C 1.018 175.913 174.990 -0.159 0.000 1.275 1187 C CA -0.226 58.777 59.018 -0.024 0.000 1.811 1187 C CB 0.059 27.776 27.740 -0.037 0.000 2.372 1187 C HN 0.691 nan 8.230 nan 0.000 0.531 1188 S N 4.935 120.464 115.700 -0.285 0.000 2.494 1188 S HA 0.170 4.639 4.470 -0.001 0.000 0.312 1188 S C 1.160 175.626 174.600 -0.222 0.000 1.121 1188 S CA -0.484 57.416 58.200 -0.500 0.000 1.068 1188 S CB 0.234 63.188 63.200 -0.409 0.000 1.141 1188 S HN 0.784 nan 8.310 nan 0.000 0.527 1189 V N 5.465 125.264 119.914 -0.192 0.000 2.250 1189 V HA -0.241 3.878 4.120 -0.001 0.000 0.253 1189 V C 2.610 178.676 176.094 -0.046 0.000 1.065 1189 V CA 2.617 64.865 62.300 -0.087 0.000 1.039 1189 V CB -1.280 30.498 31.823 -0.075 0.000 0.647 1189 V HN 0.852 nan 8.190 nan 0.000 0.446 1190 S N -0.609 115.053 115.700 -0.063 0.000 2.365 1190 S HA -0.261 4.208 4.470 -0.001 0.000 0.225 1190 S C 1.812 176.415 174.600 0.006 0.000 1.039 1190 S CA 1.739 59.928 58.200 -0.018 0.000 1.033 1190 S CB -0.521 62.663 63.200 -0.027 0.000 0.887 1190 S HN 0.638 nan 8.310 nan 0.000 0.447 1191 D N 0.932 121.322 120.400 -0.017 0.000 2.097 1191 D HA -0.074 4.565 4.640 -0.001 0.000 0.195 1191 D C 2.099 178.432 176.300 0.056 0.000 0.989 1191 D CA 0.917 54.925 54.000 0.013 0.000 0.827 1191 D CB -0.406 40.392 40.800 -0.004 0.000 0.966 1191 D HN 0.208 nan 8.370 nan 0.000 0.456 1192 V N 0.844 120.795 119.914 0.061 0.000 2.287 1192 V HA -0.230 3.889 4.120 -0.001 0.000 0.248 1192 V C 2.728 178.936 176.094 0.190 0.000 1.053 1192 V CA 1.115 63.496 62.300 0.135 0.000 1.027 1192 V CB -0.598 31.300 31.823 0.125 0.000 0.646 1192 V HN 0.053 nan 8.190 nan 0.000 0.447 1193 V N -0.302 119.707 119.914 0.158 0.000 2.343 1193 V HA -0.277 3.842 4.120 -0.001 0.000 0.247 1193 V C 2.478 178.682 176.094 0.184 0.000 1.051 1193 V CA 2.077 64.520 62.300 0.238 0.000 1.036 1193 V CB -0.685 31.257 31.823 0.198 0.000 0.654 1193 V HN 0.557 nan 8.190 nan 0.000 0.451 1194 K N -0.367 120.098 120.400 0.108 0.000 2.025 1194 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 1194 K C 1.946 178.606 176.600 0.100 0.000 1.049 1194 K CA 1.633 57.964 56.287 0.073 0.000 0.933 1194 K CB -0.389 32.139 32.500 0.047 0.000 0.714 1194 K HN 0.409 nan 8.250 nan 0.000 0.438 1195 D N 0.951 121.425 120.400 0.124 0.000 2.133 1195 D HA -0.163 4.477 4.640 -0.001 0.000 0.195 1195 D C 1.771 178.224 176.300 0.255 0.000 0.997 1195 D CA 1.484 55.578 54.000 0.157 0.000 0.840 1195 D CB -0.192 40.694 40.800 0.143 0.000 0.947 1195 D HN 0.234 nan 8.370 nan 0.000 0.452 1196 A N -0.446 122.538 122.820 0.273 0.000 2.014 1196 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 1196 A C 2.092 179.609 177.584 -0.112 0.000 1.163 1196 A CA 0.855 52.968 52.037 0.125 0.000 0.652 1196 A CB -0.784 18.233 19.000 0.028 0.000 0.808 1196 A HN 0.344 nan 8.150 nan 0.000 0.449 1197 Y N 1.252 121.235 120.300 -0.529 0.000 2.163 1197 Y HA -0.192 4.357 4.550 -0.001 0.000 0.288 1197 Y C 1.781 177.461 175.900 -0.367 0.000 1.136 1197 Y CA 1.909 59.438 58.100 -0.952 0.000 1.147 1197 Y CB -0.194 37.727 38.460 -0.899 0.000 0.987 1197 Y HN 0.330 nan 8.280 nan 0.000 0.509 1198 D N -0.163 120.122 120.400 -0.191 0.000 2.104 1198 D HA -0.211 4.428 4.640 -0.001 0.000 0.194 1198 D C 2.202 178.429 176.300 -0.121 0.000 0.994 1198 D CA 1.549 55.459 54.000 -0.150 0.000 0.830 1198 D CB -0.263 40.541 40.800 0.006 0.000 0.959 1198 D HN 0.307 nan 8.370 nan 0.000 0.452 1199 M N 0.688 120.300 119.600 0.020 0.000 2.059 1199 M HA -0.084 4.395 4.480 -0.001 0.000 0.259 1199 M C 2.356 178.780 176.300 0.206 0.000 1.072 1199 M CA 1.148 56.534 55.300 0.143 0.000 1.117 1199 M CB -1.315 31.420 32.600 0.225 0.000 1.320 1199 M HN -0.000 nan 8.290 nan 0.000 0.408 1200 A N 0.007 122.955 122.820 0.213 0.000 1.884 1200 A HA -0.272 4.047 4.320 -0.001 0.000 0.219 1200 A C 2.304 179.770 177.584 -0.197 0.000 1.197 1200 A CA 2.494 54.476 52.037 -0.092 0.000 0.637 1200 A CB -0.908 17.937 19.000 -0.258 0.000 0.827 1200 A HN 0.563 nan 8.150 nan 0.000 0.450 1201 K N -1.074 119.090 120.400 -0.394 0.000 2.103 1201 K HA -0.153 4.166 4.320 -0.001 0.000 0.207 1201 K C 1.865 178.358 176.600 -0.178 0.000 1.048 1201 K CA 1.405 57.453 56.287 -0.397 0.000 0.930 1201 K CB -0.267 31.808 32.500 -0.709 0.000 0.716 1201 K HN 0.298 nan 8.250 nan 0.000 0.444 1202 L N 1.632 122.783 121.223 -0.120 0.000 2.042 1202 L HA -0.175 4.164 4.340 -0.001 0.000 0.210 1202 L C 2.036 178.900 176.870 -0.011 0.000 1.076 1202 L CA 1.541 56.355 54.840 -0.044 0.000 0.749 1202 L CB -0.551 41.502 42.059 -0.010 0.000 0.893 1202 L HN 0.260 nan 8.230 nan 0.000 0.432 1203 L N -2.227 118.996 121.223 -0.001 0.000 2.056 1203 L HA -0.273 4.066 4.340 -0.001 0.000 0.207 1203 L C 2.774 179.640 176.870 -0.006 0.000 1.078 1203 L CA 1.392 56.234 54.840 0.003 0.000 0.749 1203 L CB -1.066 40.989 42.059 -0.006 0.000 0.901 1203 L HN 0.415 nan 8.230 nan 0.000 0.433 1204 C N 0.808 120.102 119.300 -0.010 0.000 2.442 1204 C HA -0.212 4.248 4.460 -0.001 0.000 0.279 1204 C C 2.438 177.497 174.990 0.115 0.000 1.237 1204 C CA 1.441 60.507 59.018 0.079 0.000 1.722 1204 C CB -0.614 27.159 27.740 0.054 0.000 2.056 1204 C HN 0.522 nan 8.230 nan 0.000 0.469 1205 D N 0.012 120.441 120.400 0.049 0.000 2.149 1205 D HA -0.114 4.526 4.640 -0.001 0.000 0.198 1205 D C 2.206 178.525 176.300 0.032 0.000 0.990 1205 D CA 1.165 55.191 54.000 0.043 0.000 0.839 1205 D CB -0.265 40.540 40.800 0.007 0.000 0.948 1205 D HN 0.529 nan 8.370 nan 0.000 0.460 1206 K N -1.341 119.073 120.400 0.025 0.000 2.504 1206 K HA -0.071 4.248 4.320 -0.001 0.000 0.195 1206 K C 0.977 177.576 176.600 -0.002 0.000 1.036 1206 K CA 0.367 56.660 56.287 0.010 0.000 0.984 1206 K CB 0.248 32.759 32.500 0.019 0.000 0.788 1206 K HN 0.282 nan 8.250 nan 0.000 0.488 1207 Y N -1.921 118.278 120.300 -0.169 0.000 2.678 1207 Y HA 0.009 4.559 4.550 -0.001 0.000 0.274 1207 Y C 0.983 176.659 175.900 -0.372 0.000 1.114 1207 Y CA 0.407 58.303 58.100 -0.341 0.000 1.274 1207 Y CB 0.596 38.725 38.460 -0.551 0.000 1.438 1207 Y HN -0.095 nan 8.280 nan 0.000 0.493 1208 Y N -0.103 120.296 120.300 0.165 0.000 2.478 1208 Y HA 0.196 4.745 4.550 -0.001 0.000 0.261 1208 Y C 0.698 176.608 175.900 0.017 0.000 1.127 1208 Y CA 0.336 58.485 58.100 0.081 0.000 1.288 1208 Y CB 0.020 38.543 38.460 0.104 0.000 1.084 1208 Y HN 0.062 nan 8.280 nan 0.000 0.530 1209 M N -0.813 118.861 119.600 0.124 0.000 2.751 1209 M HA -0.223 4.257 4.480 -0.001 0.000 0.199 1209 M C -0.179 176.165 176.300 0.073 0.000 0.550 1209 M CA 0.862 56.200 55.300 0.064 0.000 0.640 1209 M CB -2.288 30.329 32.600 0.028 0.000 2.351 1209 M HN 0.220 nan 8.290 nan 0.000 0.613 1210 A N 0.227 123.111 122.820 0.108 0.000 2.594 1210 A HA 0.878 5.198 4.320 -0.001 0.000 0.296 1210 A C -0.240 177.387 177.584 0.072 0.000 1.061 1210 A CA 0.154 52.233 52.037 0.070 0.000 0.689 1210 A CB 1.673 20.703 19.000 0.050 0.000 1.280 1210 A HN 0.877 nan 8.150 nan 0.000 0.406 1211 S N 0.587 116.308 115.700 0.034 0.000 2.552 1211 S HA 0.846 5.315 4.470 -0.001 0.000 0.272 1211 S C -3.411 171.208 174.600 0.033 0.000 1.150 1211 S CA -1.113 57.103 58.200 0.026 0.000 0.849 1211 S CB 1.318 64.522 63.200 0.006 0.000 1.113 1211 S HN 0.499 nan 8.310 nan 0.000 0.458 1212 P HA 0.381 nan 4.420 nan 0.000 0.272 1212 P C -0.467 176.923 177.300 0.149 0.000 1.240 1212 P CA -0.216 62.916 63.100 0.052 0.000 0.791 1212 P CB 0.355 32.081 31.700 0.043 0.000 0.978 1213 D N -0.349 120.103 120.400 0.087 0.000 2.425 1213 D HA 0.361 5.000 4.640 -0.001 0.000 0.274 1213 D C -0.349 175.927 176.300 -0.040 0.000 1.242 1213 D CA 0.165 54.218 54.000 0.087 0.000 1.060 1213 D CB 0.397 41.204 40.800 0.012 0.000 1.112 1213 D HN 0.124 nan 8.370 nan 0.000 0.561 1214 L N -0.383 120.669 121.223 -0.285 0.000 2.401 1214 L HA 0.418 4.758 4.340 -0.001 0.000 0.266 1214 L C -1.178 175.554 176.870 -0.230 0.000 0.991 1214 L CA -0.316 54.251 54.840 -0.455 0.000 0.818 1214 L CB 2.096 43.442 42.059 -1.188 0.000 1.321 1214 L HN 0.236 nan 8.230 nan 0.000 0.413 1215 E N 4.261 124.379 120.200 -0.137 0.000 2.256 1215 E HA 0.578 4.928 4.350 -0.001 0.000 0.268 1215 E C -1.396 175.173 176.600 -0.052 0.000 0.877 1215 E CA -0.441 55.912 56.400 -0.078 0.000 0.757 1215 E CB 2.131 31.805 29.700 -0.043 0.000 1.183 1215 E HN 0.545 nan 8.360 nan 0.000 0.418 1216 I N 2.608 123.153 120.570 -0.042 0.000 2.474 1216 I HA 0.357 4.527 4.170 -0.001 0.000 0.294 1216 I C -0.511 175.599 176.117 -0.012 0.000 1.005 1216 I CA -0.748 60.540 61.300 -0.019 0.000 1.113 1216 I CB 1.919 39.910 38.000 -0.015 0.000 1.289 1216 I HN 0.385 nan 8.210 nan 0.000 0.436 1217 Q N 3.989 123.785 119.800 -0.006 0.000 2.359 1217 Q HA 0.480 4.819 4.340 -0.001 0.000 0.274 1217 Q C -1.479 174.521 176.000 0.000 0.000 1.074 1217 Q CA -0.550 55.251 55.803 -0.002 0.000 0.810 1217 Q CB 2.874 31.612 28.738 -0.000 0.000 1.342 1217 Q HN 0.486 nan 8.270 nan 0.000 0.427 1218 E N 0.989 121.191 120.200 0.004 0.000 2.266 1218 E HA 0.632 4.982 4.350 -0.001 0.000 0.268 1218 E C -1.456 175.151 176.600 0.011 0.000 0.879 1218 E CA -0.769 55.636 56.400 0.007 0.000 0.762 1218 E CB 2.185 31.892 29.700 0.011 0.000 1.199 1218 E HN 0.297 nan 8.360 nan 0.000 0.422 1219 V N 3.402 123.324 119.914 0.013 0.000 2.439 1219 V HA 0.172 4.291 4.120 -0.001 0.000 0.277 1219 V C -0.492 175.613 176.094 0.019 0.000 1.008 1219 V CA -0.985 61.324 62.300 0.015 0.000 0.846 1219 V CB 1.158 32.990 31.823 0.015 0.000 1.031 1219 V HN 0.542 nan 8.190 nan 0.000 0.441 1220 N N 3.204 121.916 118.700 0.021 0.000 2.439 1220 N HA 0.335 5.074 4.740 -0.001 0.000 0.243 1220 N C 0.955 176.477 175.510 0.021 0.000 1.088 1220 N CA 0.402 53.466 53.050 0.024 0.000 0.940 1220 N CB 1.979 40.484 38.487 0.029 0.000 1.180 1220 N HN 0.695 nan 8.380 nan 0.000 0.505 1221 A N 2.908 125.740 122.820 0.021 0.000 1.968 1221 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 1221 A C 1.804 179.398 177.584 0.018 0.000 1.169 1221 A CA 1.398 53.446 52.037 0.019 0.000 0.638 1221 A CB -0.289 18.723 19.000 0.021 0.000 0.812 1221 A HN 0.641 nan 8.150 nan 0.000 0.446 1222 T N -0.530 114.036 114.554 0.019 0.000 2.985 1222 T HA 0.024 4.373 4.350 -0.001 0.000 0.266 1222 T C 0.537 175.246 174.700 0.015 0.000 1.076 1222 T CA 1.259 63.369 62.100 0.017 0.000 1.135 1222 T CB -0.160 68.719 68.868 0.020 0.000 0.890 1222 T HN 0.411 nan 8.240 nan 0.000 0.480 1223 N N -0.119 118.592 118.700 0.017 0.000 2.685 1223 N HA 0.514 5.254 4.740 -0.001 0.000 0.252 1223 N C 0.592 176.112 175.510 0.016 0.000 1.261 1223 N CA -0.048 53.010 53.050 0.015 0.000 0.768 1223 N CB 0.711 39.206 38.487 0.014 0.000 1.304 1223 N HN 0.046 nan 8.380 nan 0.000 0.536 1224 A N 0.940 123.768 122.820 0.013 0.000 2.159 1224 A HA -0.149 4.171 4.320 -0.001 0.000 0.222 1224 A C 1.121 178.713 177.584 0.014 0.000 1.163 1224 A CA 1.914 53.958 52.037 0.013 0.000 0.664 1224 A CB -0.110 18.896 19.000 0.010 0.000 0.803 1224 A HN 0.503 nan 8.150 nan 0.000 0.470 1225 T N -1.795 112.767 114.554 0.014 0.000 3.475 1225 T HA 0.236 4.585 4.350 -0.001 0.000 0.310 1225 T C -0.107 174.604 174.700 0.018 0.000 0.963 1225 T CA -0.074 62.035 62.100 0.015 0.000 0.985 1225 T CB 0.073 68.948 68.868 0.010 0.000 1.198 1225 T HN 0.663 nan 8.240 nan 0.000 0.508 1226 Q N 1.928 121.742 119.800 0.023 0.000 2.342 1226 Q HA 0.497 4.837 4.340 -0.001 0.000 0.267 1226 Q C -3.021 173.012 176.000 0.056 0.000 1.038 1226 Q CA -2.456 53.364 55.803 0.028 0.000 0.832 1226 Q CB 1.996 30.742 28.738 0.012 0.000 1.323 1226 Q HN -0.063 nan 8.270 nan 0.000 0.448 1227 P HA 0.012 nan 4.420 nan 0.000 0.266 1227 P C -0.789 176.642 177.300 0.219 0.000 1.193 1227 P CA 0.538 63.726 63.100 0.147 0.000 0.770 1227 P CB 0.404 32.224 31.700 0.200 0.000 0.836 1228 I N 3.960 124.612 120.570 0.137 0.000 2.379 1228 I HA 0.113 4.283 4.170 -0.001 0.000 0.290 1228 I C 0.747 176.919 176.117 0.093 0.000 1.063 1228 I CA 0.179 61.548 61.300 0.115 0.000 1.351 1228 I CB 0.067 38.087 38.000 0.033 0.000 1.410 1228 I HN 0.412 nan 8.210 nan 0.000 0.505 1229 H N 6.259 125.328 119.070 -0.001 0.000 2.797 1229 H HA 0.832 5.387 4.556 -0.001 0.000 0.362 1229 H C -0.306 175.018 175.328 -0.008 0.000 1.183 1229 H CA -0.779 55.267 56.048 -0.003 0.000 1.197 1229 H CB 1.869 31.630 29.762 -0.000 0.000 1.835 1229 H HN 0.536 nan 8.280 nan 0.000 0.567 1230 M N -1.620 118.044 119.600 0.107 0.000 2.949 1230 M HA 0.497 4.976 4.480 -0.001 0.000 0.270 1230 M C -1.749 174.579 176.300 0.047 0.000 1.221 1230 M CA -1.119 54.216 55.300 0.058 0.000 0.818 1230 M CB 1.547 34.156 32.600 0.015 0.000 1.635 1230 M HN 0.181 nan 8.290 nan 0.000 0.492 1231 V N 2.303 122.237 119.914 0.033 0.000 2.372 1231 V HA 0.523 4.642 4.120 -0.001 0.000 0.261 1231 V C -1.226 174.886 176.094 0.030 0.000 1.055 1231 V CA 0.224 62.523 62.300 -0.001 0.000 0.930 1231 V CB -0.302 31.506 31.823 -0.025 0.000 1.031 1231 V HN 0.715 nan 8.190 nan 0.000 0.479 1232 Y N 2.702 122.880 120.300 -0.203 0.000 2.779 1232 Y HA 0.465 5.014 4.550 -0.002 0.000 0.340 1232 Y C -0.633 175.117 175.900 -0.251 0.000 1.252 1232 Y CA -0.930 57.015 58.100 -0.259 0.000 1.072 1232 Y CB 1.831 40.196 38.460 -0.158 0.000 1.343 1232 Y HN 0.147 nan 8.280 nan 0.000 0.450 1233 V N 5.018 124.607 119.914 -0.542 0.000 2.320 1233 V HA 0.204 4.323 4.120 -0.001 0.000 0.265 1233 V C -2.019 174.081 176.094 0.010 0.000 1.048 1233 V CA -1.254 60.837 62.300 -0.348 0.000 0.865 1233 V CB 0.794 32.225 31.823 -0.654 0.000 1.043 1233 V HN 0.639 nan 8.190 nan 0.000 0.474 1234 P HA -0.175 nan 4.420 nan 0.000 0.217 1234 P C 1.880 179.291 177.300 0.185 0.000 1.148 1234 P CA 1.736 64.900 63.100 0.107 0.000 0.828 1234 P CB 0.166 31.868 31.700 0.004 0.000 0.783 1235 S N -1.762 114.035 115.700 0.162 0.000 2.382 1235 S HA -0.234 4.236 4.470 -0.001 0.000 0.228 1235 S C 1.812 176.591 174.600 0.299 0.000 1.027 1235 S CA 1.263 59.587 58.200 0.207 0.000 0.991 1235 S CB -1.604 61.696 63.200 0.166 0.000 0.823 1235 S HN 0.175 nan 8.310 nan 0.000 0.469 1236 H N 1.279 120.434 119.070 0.140 0.000 2.321 1236 H HA 0.121 4.676 4.556 -0.002 0.000 0.300 1236 H C 2.067 177.505 175.328 0.183 0.000 1.087 1236 H CA 1.390 57.513 56.048 0.124 0.000 1.319 1236 H CB -0.812 29.148 29.762 0.330 0.000 1.379 1236 H HN 0.295 nan 8.280 nan 0.000 0.501 1237 L N -0.138 121.349 121.223 0.441 0.000 2.012 1237 L HA -0.200 4.140 4.340 -0.001 0.000 0.210 1237 L C 2.182 179.189 176.870 0.229 0.000 1.073 1237 L CA 1.607 56.615 54.840 0.281 0.000 0.748 1237 L CB -0.940 41.245 42.059 0.210 0.000 0.891 1237 L HN 0.292 nan 8.230 nan 0.000 0.431 1238 Y N -0.679 119.705 120.300 0.139 0.000 2.165 1238 Y HA -0.354 4.195 4.550 -0.001 0.000 0.286 1238 Y C 2.777 178.759 175.900 0.136 0.000 1.155 1238 Y CA 2.263 60.432 58.100 0.117 0.000 1.164 1238 Y CB -0.486 38.005 38.460 0.052 0.000 0.978 1238 Y HN 0.516 nan 8.280 nan 0.000 0.513 1239 H N -0.584 118.502 119.070 0.028 0.000 2.319 1239 H HA -0.206 4.350 4.556 -0.000 0.000 0.299 1239 H C 2.164 177.439 175.328 -0.089 0.000 1.092 1239 H CA 2.604 58.587 56.048 -0.109 0.000 1.302 1239 H CB -0.186 29.333 29.762 -0.406 0.000 1.373 1239 H HN 0.362 nan 8.280 nan 0.000 0.497 1240 M N -0.264 119.402 119.600 0.110 0.000 2.067 1240 M HA -0.176 4.303 4.480 -0.001 0.000 0.260 1240 M C 2.380 178.694 176.300 0.024 0.000 1.069 1240 M CA 1.551 56.908 55.300 0.095 0.000 1.117 1240 M CB -0.249 32.418 32.600 0.112 0.000 1.334 1240 M HN 0.304 nan 8.290 nan 0.000 0.407 1241 L N -1.014 120.228 121.223 0.032 0.000 2.083 1241 L HA -0.210 4.129 4.340 -0.001 0.000 0.209 1241 L C 2.505 179.473 176.870 0.163 0.000 1.083 1241 L CA 1.089 55.959 54.840 0.050 0.000 0.752 1241 L CB -0.636 41.523 42.059 0.166 0.000 0.899 1241 L HN 0.235 nan 8.230 nan 0.000 0.433 1242 F N 1.095 120.947 119.950 -0.164 0.000 2.084 1242 F HA -0.178 4.348 4.527 -0.002 0.000 0.296 1242 F C 2.570 178.301 175.800 -0.114 0.000 1.111 1242 F CA 1.495 59.358 58.000 -0.228 0.000 1.224 1242 F CB -0.154 38.459 39.000 -0.645 0.000 0.991 1242 F HN -0.025 nan 8.300 nan 0.000 0.471 1243 E N 0.864 120.948 120.200 -0.193 0.000 2.070 1243 E HA -0.219 4.130 4.350 -0.001 0.000 0.197 1243 E C 2.453 178.926 176.600 -0.213 0.000 1.004 1243 E CA 1.669 57.925 56.400 -0.240 0.000 0.805 1243 E CB -0.830 28.810 29.700 -0.100 0.000 0.744 1243 E HN 0.475 nan 8.360 nan 0.000 0.451 1244 L N -0.605 120.523 121.223 -0.158 0.000 2.027 1244 L HA -0.126 4.213 4.340 -0.001 0.000 0.206 1244 L C 2.535 179.290 176.870 -0.192 0.000 1.074 1244 L CA 0.971 55.699 54.840 -0.187 0.000 0.745 1244 L CB -0.480 41.444 42.059 -0.224 0.000 0.898 1244 L HN 0.053 nan 8.230 nan 0.000 0.433 1245 F N 0.493 120.344 119.950 -0.167 0.000 2.126 1245 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 1245 F C 2.607 178.284 175.800 -0.206 0.000 1.096 1245 F CA 1.427 59.346 58.000 -0.135 0.000 1.255 1245 F CB -0.185 38.760 39.000 -0.092 0.000 0.997 1245 F HN -0.070 nan 8.300 nan 0.000 0.479 1246 K N -0.068 120.235 120.400 -0.163 0.000 2.103 1246 K HA -0.193 4.127 4.320 -0.001 0.000 0.207 1246 K C 1.748 178.249 176.600 -0.166 0.000 1.048 1246 K CA 1.486 57.622 56.287 -0.251 0.000 0.930 1246 K CB -0.226 32.001 32.500 -0.454 0.000 0.716 1246 K HN 0.168 nan 8.250 nan 0.000 0.444 1247 N N 0.578 119.181 118.700 -0.162 0.000 2.142 1247 N HA -0.115 4.625 4.740 -0.001 0.000 0.186 1247 N C 1.592 177.038 175.510 -0.107 0.000 1.023 1247 N CA 1.372 54.338 53.050 -0.140 0.000 0.852 1247 N CB -0.278 38.118 38.487 -0.152 0.000 0.998 1247 N HN 0.179 nan 8.380 nan 0.000 0.424 1248 A N 0.571 123.338 122.820 -0.089 0.000 1.968 1248 A HA 0.007 4.327 4.320 -0.001 0.000 0.217 1248 A C 2.174 179.740 177.584 -0.029 0.000 1.169 1248 A CA 0.937 52.938 52.037 -0.061 0.000 0.638 1248 A CB -0.337 18.627 19.000 -0.060 0.000 0.812 1248 A HN 0.191 nan 8.150 nan 0.000 0.446 1249 M N -1.398 118.198 119.600 -0.008 0.000 2.288 1249 M HA -0.025 4.454 4.480 -0.001 0.000 0.266 1249 M C 2.289 178.547 176.300 -0.070 0.000 1.072 1249 M CA 1.362 56.657 55.300 -0.009 0.000 1.132 1249 M CB -0.207 32.398 32.600 0.009 0.000 1.386 1249 M HN 0.470 nan 8.290 nan 0.000 0.432 1250 R N 0.976 121.426 120.500 -0.085 0.000 2.062 1250 R HA -0.105 4.235 4.340 -0.001 0.000 0.231 1250 R C 2.249 178.451 176.300 -0.164 0.000 1.136 1250 R CA 1.691 57.705 56.100 -0.142 0.000 0.948 1250 R CB -0.309 29.933 30.300 -0.097 0.000 0.845 1250 R HN 0.314 nan 8.270 nan 0.000 0.430 1251 A N 0.222 122.976 122.820 -0.111 0.000 1.892 1251 A HA -0.190 4.130 4.320 -0.001 0.000 0.218 1251 A C 2.225 179.768 177.584 -0.069 0.000 1.188 1251 A CA 2.263 54.246 52.037 -0.090 0.000 0.631 1251 A CB -1.155 17.799 19.000 -0.077 0.000 0.822 1251 A HN 0.512 nan 8.150 nan 0.000 0.447 1252 T N -0.289 114.234 114.554 -0.051 0.000 2.652 1252 T HA -0.145 4.204 4.350 -0.001 0.000 0.267 1252 T C 1.909 176.627 174.700 0.030 0.000 1.039 1252 T CA 1.768 63.872 62.100 0.007 0.000 1.153 1252 T CB -0.604 68.243 68.868 -0.036 0.000 0.863 1252 T HN 0.167 nan 8.240 nan 0.000 0.428 1253 V N 1.511 121.364 119.914 -0.101 0.000 2.287 1253 V HA -0.183 3.936 4.120 -0.001 0.000 0.248 1253 V C 2.423 178.423 176.094 -0.157 0.000 1.053 1253 V CA 1.757 63.955 62.300 -0.171 0.000 1.027 1253 V CB -0.599 30.979 31.823 -0.408 0.000 0.646 1253 V HN 0.550 nan 8.190 nan 0.000 0.447 1254 E N -0.271 119.809 120.200 -0.200 0.000 2.347 1254 E HA -0.097 4.252 4.350 -0.001 0.000 0.196 1254 E C 2.129 178.674 176.600 -0.091 0.000 1.008 1254 E CA 1.006 57.313 56.400 -0.156 0.000 0.852 1254 E CB -0.004 29.604 29.700 -0.154 0.000 0.783 1254 E HN 0.517 nan 8.360 nan 0.000 0.505 1255 S N -0.739 114.924 115.700 -0.062 0.000 2.517 1255 S HA 0.075 4.544 4.470 -0.001 0.000 0.214 1255 S C 0.020 174.458 174.600 -0.271 0.000 0.991 1255 S CA 0.074 58.190 58.200 -0.140 0.000 0.906 1255 S CB 0.190 63.297 63.200 -0.154 0.000 0.789 1255 S HN 0.233 nan 8.310 nan 0.000 0.513 1256 H N 0.242 119.268 119.070 -0.074 0.000 2.858 1256 H HA 0.459 5.014 4.556 -0.001 0.000 0.318 1256 H C 0.926 176.226 175.328 -0.047 0.000 1.419 1256 H CA -0.670 55.345 56.048 -0.054 0.000 1.373 1256 H CB 0.929 30.660 29.762 -0.052 0.000 1.915 1256 H HN 0.125 nan 8.280 nan 0.000 0.704 1257 E N -1.081 119.189 120.200 0.116 0.000 2.367 1257 E HA 0.167 4.516 4.350 -0.001 0.000 0.204 1257 E C 0.092 176.719 176.600 0.044 0.000 0.840 1257 E CA -0.123 56.308 56.400 0.051 0.000 1.051 1257 E CB 0.715 30.433 29.700 0.031 0.000 1.051 1257 E HN 0.179 nan 8.360 nan 0.000 0.509 1258 S N 0.734 116.466 115.700 0.053 0.000 2.433 1258 S HA 0.243 4.713 4.470 -0.001 0.000 0.310 1258 S C 0.731 175.334 174.600 0.005 0.000 1.097 1258 S CA -0.229 57.987 58.200 0.026 0.000 1.103 1258 S CB 1.196 64.410 63.200 0.024 0.000 0.992 1258 S HN 0.295 nan 8.310 nan 0.000 0.469 1259 S N 4.871 120.572 115.700 0.002 0.000 2.607 1259 S HA 0.096 4.565 4.470 -0.001 0.000 0.224 1259 S C 1.073 175.664 174.600 -0.016 0.000 0.969 1259 S CA 0.154 58.349 58.200 -0.008 0.000 0.927 1259 S CB -0.551 62.653 63.200 0.006 0.000 0.772 1259 S HN 0.756 nan 8.310 nan 0.000 0.533 1260 L N 1.295 122.509 121.223 -0.014 0.000 2.640 1260 L HA 0.271 4.611 4.340 -0.001 0.000 0.230 1260 L C 1.266 178.120 176.870 -0.026 0.000 1.123 1260 L CA 0.524 55.355 54.840 -0.014 0.000 0.900 1260 L CB -0.080 41.976 42.059 -0.005 0.000 1.146 1260 L HN 0.500 nan 8.230 nan 0.000 0.484 1261 T N -3.522 111.005 114.554 -0.044 0.000 3.516 1261 T HA 0.298 4.647 4.350 -0.001 0.000 0.300 1261 T C -0.103 174.505 174.700 -0.152 0.000 0.995 1261 T CA -0.378 61.685 62.100 -0.061 0.000 0.982 1261 T CB 0.031 68.886 68.868 -0.022 0.000 1.199 1261 T HN -0.165 nan 8.240 nan 0.000 0.481 1262 L N 3.439 124.551 121.223 -0.184 0.000 2.418 1262 L HA 0.433 4.772 4.340 -0.001 0.000 0.274 1262 L C -2.222 174.491 176.870 -0.261 0.000 1.135 1262 L CA -1.930 52.712 54.840 -0.330 0.000 0.870 1262 L CB 0.289 42.223 42.059 -0.208 0.000 1.154 1262 L HN 0.092 nan 8.230 nan 0.000 0.462 1263 P HA 0.112 nan 4.420 nan 0.000 0.267 1263 P C -2.436 174.803 177.300 -0.103 0.000 1.205 1263 P CA -0.843 62.153 63.100 -0.173 0.000 0.765 1263 P CB -0.116 31.490 31.700 -0.156 0.000 0.828 1264 P HA 0.108 nan 4.420 nan 0.000 0.270 1264 P C -0.244 177.049 177.300 -0.012 0.000 1.223 1264 P CA 0.202 63.288 63.100 -0.025 0.000 0.785 1264 P CB 0.619 32.301 31.700 -0.029 0.000 0.923 1265 I N 1.706 122.293 120.570 0.029 0.000 2.365 1265 I HA 0.225 4.395 4.170 -0.001 0.000 0.291 1265 I C 0.936 177.063 176.117 0.016 0.000 1.004 1265 I CA -0.453 60.874 61.300 0.045 0.000 1.311 1265 I CB 0.411 38.506 38.000 0.159 0.000 1.401 1265 I HN 0.060 nan 8.210 nan 0.000 0.491 1266 K N 7.056 127.452 120.400 -0.007 0.000 2.206 1266 K HA 0.605 4.925 4.320 -0.001 0.000 0.264 1266 K C -0.864 175.721 176.600 -0.025 0.000 0.967 1266 K CA -0.780 55.500 56.287 -0.012 0.000 0.844 1266 K CB 2.417 34.915 32.500 -0.003 0.000 1.099 1266 K HN 0.388 nan 8.250 nan 0.000 0.441 1267 I N 2.816 123.376 120.570 -0.017 0.000 2.493 1267 I HA 0.383 4.552 4.170 -0.001 0.000 0.298 1267 I C -0.155 175.950 176.117 -0.020 0.000 0.998 1267 I CA -0.856 60.427 61.300 -0.029 0.000 1.137 1267 I CB 1.595 39.599 38.000 0.007 0.000 1.310 1267 I HN 0.513 nan 8.210 nan 0.000 0.445 1268 M N 6.139 125.721 119.600 -0.029 0.000 2.197 1268 M HA 0.392 4.871 4.480 -0.001 0.000 0.301 1268 M C -1.374 174.912 176.300 -0.023 0.000 0.987 1268 M CA -0.773 54.517 55.300 -0.017 0.000 0.921 1268 M CB 1.824 34.419 32.600 -0.008 0.000 1.569 1268 M HN 0.164 nan 8.290 nan 0.000 0.431 1269 V N 4.143 124.049 119.914 -0.014 0.000 2.347 1269 V HA 0.762 4.881 4.120 -0.001 0.000 0.280 1269 V C 0.020 176.112 176.094 -0.003 0.000 1.021 1269 V CA -0.660 61.631 62.300 -0.016 0.000 0.847 1269 V CB 1.263 33.077 31.823 -0.015 0.000 0.990 1269 V HN 0.896 nan 8.190 nan 0.000 0.444 1270 A N 5.773 128.594 122.820 0.002 0.000 2.319 1270 A HA 0.821 5.141 4.320 -0.001 0.000 0.310 1270 A C -1.112 176.487 177.584 0.025 0.000 1.152 1270 A CA -0.516 51.532 52.037 0.018 0.000 0.783 1270 A CB 1.209 20.227 19.000 0.030 0.000 1.184 1270 A HN 0.786 nan 8.150 nan 0.000 0.474 1271 L N 3.120 124.358 121.223 0.025 0.000 2.296 1271 L HA 0.821 5.160 4.340 -0.001 0.000 0.286 1271 L C 0.399 177.289 176.870 0.032 0.000 1.023 1271 L CA 0.242 55.099 54.840 0.029 0.000 0.812 1271 L CB 1.346 43.421 42.059 0.027 0.000 1.223 1271 L HN 0.749 nan 8.230 nan 0.000 0.421 1272 G N 2.885 111.708 108.800 0.038 0.000 2.932 1272 G HA2 0.401 4.360 3.960 -0.001 0.000 0.283 1272 G HA3 0.401 4.360 3.960 -0.001 0.000 0.283 1272 G C -0.068 174.851 174.900 0.032 0.000 1.336 1272 G CA -0.330 44.791 45.100 0.035 0.000 1.056 1272 G HN 0.605 nan 8.290 nan 0.000 0.522 1273 E N -0.987 119.230 120.200 0.028 0.000 2.274 1273 E HA 0.004 4.354 4.350 -0.001 0.000 0.194 1273 E C 1.692 178.309 176.600 0.028 0.000 0.996 1273 E CA 1.085 57.500 56.400 0.025 0.000 0.840 1273 E CB 0.430 30.142 29.700 0.020 0.000 0.772 1273 E HN 0.662 nan 8.360 nan 0.000 0.491 1274 E N -0.575 119.644 120.200 0.033 0.000 2.414 1274 E HA 0.025 4.374 4.350 -0.001 0.000 0.208 1274 E C -0.427 176.201 176.600 0.048 0.000 0.820 1274 E CA 0.032 56.454 56.400 0.036 0.000 1.143 1274 E CB 0.664 30.381 29.700 0.028 0.000 1.150 1274 E HN 0.025 nan 8.360 nan 0.000 0.540 1275 D N 0.698 121.133 120.400 0.058 0.000 2.342 1275 D HA 0.273 4.912 4.640 -0.001 0.000 0.243 1275 D C -1.135 175.210 176.300 0.076 0.000 1.019 1275 D CA -0.512 53.540 54.000 0.086 0.000 0.864 1275 D CB 2.071 42.945 40.800 0.124 0.000 1.315 1275 D HN -0.006 nan 8.370 nan 0.000 0.468 1276 L N 1.572 122.837 121.223 0.071 0.000 2.294 1276 L HA 0.419 4.759 4.340 -0.001 0.000 0.283 1276 L C -0.834 176.058 176.870 0.036 0.000 1.015 1276 L CA -0.371 54.488 54.840 0.032 0.000 0.831 1276 L CB 0.463 42.513 42.059 -0.016 0.000 1.217 1276 L HN 0.185 nan 8.230 nan 0.000 0.420 1277 S N 6.174 121.893 115.700 0.031 0.000 2.454 1277 S HA 0.716 5.186 4.470 -0.001 0.000 0.306 1277 S C -0.258 174.294 174.600 -0.080 0.000 1.100 1277 S CA -0.397 57.789 58.200 -0.023 0.000 1.087 1277 S CB 1.469 64.709 63.200 0.066 0.000 1.019 1277 S HN 0.462 nan 8.310 nan 0.000 0.480 1278 I N 2.817 123.295 120.570 -0.154 0.000 2.410 1278 I HA 0.428 4.598 4.170 -0.001 0.000 0.286 1278 I C -0.166 175.856 176.117 -0.160 0.000 1.009 1278 I CA -0.515 60.708 61.300 -0.128 0.000 1.111 1278 I CB 1.432 39.363 38.000 -0.115 0.000 1.262 1278 I HN 0.314 nan 8.210 nan 0.000 0.443 1279 K N 7.765 128.099 120.400 -0.110 0.000 2.265 1279 K HA 0.525 4.845 4.320 -0.001 0.000 0.267 1279 K C -1.102 175.436 176.600 -0.103 0.000 0.994 1279 K CA -0.642 55.587 56.287 -0.097 0.000 0.860 1279 K CB 1.685 34.162 32.500 -0.038 0.000 1.099 1279 K HN 0.659 nan 8.250 nan 0.000 0.448 1280 M N 3.641 123.157 119.600 -0.140 0.000 2.061 1280 M HA 0.207 4.686 4.480 -0.001 0.000 0.346 1280 M C -1.252 174.982 176.300 -0.111 0.000 1.112 1280 M CA -0.160 55.029 55.300 -0.185 0.000 1.021 1280 M CB 1.084 33.479 32.600 -0.340 0.000 1.530 1280 M HN 0.421 nan 8.290 nan 0.000 0.437 1281 S N 3.937 119.596 115.700 -0.068 0.000 2.451 1281 S HA 0.511 4.980 4.470 -0.001 0.000 0.301 1281 S C -0.978 173.593 174.600 -0.049 0.000 1.116 1281 S CA -0.792 57.392 58.200 -0.026 0.000 1.093 1281 S CB 1.257 64.471 63.200 0.024 0.000 1.017 1281 S HN 0.806 nan 8.310 nan 0.000 0.482 1282 D N 0.553 120.911 120.400 -0.070 0.000 2.477 1282 D HA 0.457 5.097 4.640 -0.001 0.000 0.234 1282 D C -0.413 175.763 176.300 -0.206 0.000 1.048 1282 D CA -1.037 52.902 54.000 -0.101 0.000 0.959 1282 D CB 0.866 41.617 40.800 -0.081 0.000 1.408 1282 D HN 0.216 nan 8.370 nan 0.000 0.496 1283 R N -0.017 120.348 120.500 -0.224 0.000 3.039 1283 R HA 0.374 4.714 4.340 -0.001 0.000 0.336 1283 R C 1.037 177.240 176.300 -0.161 0.000 1.258 1283 R CA -0.240 55.643 56.100 -0.362 0.000 1.125 1283 R CB 0.472 30.592 30.300 -0.300 0.000 1.427 1283 R HN 0.625 nan 8.270 nan 0.000 0.588 1284 G N -0.687 108.036 108.800 -0.129 0.000 3.155 1284 G HA2 0.160 4.119 3.960 -0.001 0.000 0.213 1284 G HA3 0.160 4.119 3.960 -0.001 0.000 0.213 1284 G C 1.028 175.875 174.900 -0.088 0.000 1.196 1284 G CA 0.447 45.504 45.100 -0.071 0.000 0.846 1284 G HN 0.521 nan 8.290 nan 0.000 0.516 1285 G N -1.349 107.379 108.800 -0.120 0.000 2.241 1285 G HA2 0.169 4.128 3.960 -0.001 0.000 0.244 1285 G HA3 0.169 4.128 3.960 -0.001 0.000 0.244 1285 G C 1.197 176.080 174.900 -0.028 0.000 0.998 1285 G CA 0.615 45.666 45.100 -0.082 0.000 0.621 1285 G HN 2.129 nan 8.290 nan 0.000 0.519 1286 G N -2.019 106.766 108.800 -0.026 0.000 2.752 1286 G HA2 0.216 4.176 3.960 -0.001 0.000 0.234 1286 G HA3 0.216 4.176 3.960 -0.001 0.000 0.234 1286 G C -0.252 174.659 174.900 0.019 0.000 1.367 1286 G CA 0.246 45.357 45.100 0.019 0.000 0.879 1286 G HN 1.683 nan 8.290 nan 0.000 0.563 1287 V N 1.561 121.496 119.914 0.035 0.000 2.888 1287 V HA 0.609 4.728 4.120 -0.001 0.000 0.309 1287 V C -1.992 174.125 176.094 0.039 0.000 1.114 1287 V CA -0.939 61.380 62.300 0.031 0.000 0.940 1287 V CB 2.361 34.197 31.823 0.022 0.000 1.021 1287 V HN 0.862 nan 8.190 nan 0.000 0.426 1288 P HA 0.028 nan 4.420 nan 0.000 0.266 1288 P C 0.757 178.077 177.300 0.033 0.000 1.193 1288 P CA -0.031 63.088 63.100 0.032 0.000 0.770 1288 P CB 0.815 32.529 31.700 0.023 0.000 0.836 1289 L N 3.351 124.599 121.223 0.041 0.000 2.187 1289 L HA -0.150 4.190 4.340 -0.001 0.000 0.213 1289 L C 2.582 179.469 176.870 0.029 0.000 1.100 1289 L CA 1.731 56.599 54.840 0.046 0.000 0.765 1289 L CB -0.867 41.222 42.059 0.050 0.000 0.904 1289 L HN 0.333 nan 8.230 nan 0.000 0.437 1290 R N -0.316 120.195 120.500 0.018 0.000 2.127 1290 R HA -0.155 4.185 4.340 -0.001 0.000 0.238 1290 R C 1.551 177.840 176.300 -0.017 0.000 1.134 1290 R CA 1.593 57.695 56.100 0.005 0.000 0.975 1290 R CB -0.041 30.262 30.300 0.006 0.000 0.865 1290 R HN 0.362 nan 8.270 nan 0.000 0.447 1291 K N -0.171 120.213 120.400 -0.026 0.000 2.373 1291 K HA 0.143 4.462 4.320 -0.001 0.000 0.202 1291 K C 1.262 177.806 176.600 -0.093 0.000 1.025 1291 K CA -0.298 55.937 56.287 -0.087 0.000 1.115 1291 K CB 0.623 33.074 32.500 -0.082 0.000 0.858 1291 K HN 0.172 nan 8.250 nan 0.000 0.525 1292 I N 1.407 121.966 120.570 -0.019 0.000 2.439 1292 I HA -0.166 4.003 4.170 -0.001 0.000 0.251 1292 I C 1.959 178.129 176.117 0.088 0.000 1.139 1292 I CA 1.522 62.839 61.300 0.027 0.000 1.438 1292 I CB -0.289 37.747 38.000 0.060 0.000 1.085 1292 I HN 0.285 nan 8.210 nan 0.000 0.427 1293 E N 0.547 120.778 120.200 0.052 0.000 2.072 1293 E HA -0.181 4.168 4.350 -0.001 0.000 0.191 1293 E C 2.254 178.913 176.600 0.098 0.000 0.985 1293 E CA 0.584 57.036 56.400 0.086 0.000 0.801 1293 E CB 0.049 29.761 29.700 0.020 0.000 0.750 1293 E HN 0.306 nan 8.360 nan 0.000 0.452 1294 R N 0.517 120.975 120.500 -0.069 0.000 2.159 1294 R HA -0.211 4.128 4.340 -0.001 0.000 0.249 1294 R C 2.341 178.498 176.300 -0.239 0.000 1.136 1294 R CA 1.427 57.371 56.100 -0.260 0.000 0.951 1294 R CB -0.593 29.333 30.300 -0.624 0.000 0.876 1294 R HN 0.247 nan 8.270 nan 0.000 0.440 1295 L N -0.275 120.829 121.223 -0.199 0.000 2.574 1295 L HA -0.213 4.127 4.340 -0.001 0.000 0.230 1295 L C 1.066 177.749 176.870 -0.312 0.000 1.160 1295 L CA 1.156 55.881 54.840 -0.192 0.000 0.807 1295 L CB -0.311 41.581 42.059 -0.278 0.000 0.931 1295 L HN 0.206 nan 8.230 nan 0.000 0.450 1296 F N -1.750 118.156 119.950 -0.074 0.000 2.688 1296 F HA 0.167 4.695 4.527 0.001 0.000 0.310 1296 F C 1.392 177.085 175.800 -0.180 0.000 1.098 1296 F CA -0.292 57.641 58.000 -0.112 0.000 1.228 1296 F CB 0.472 39.409 39.000 -0.105 0.000 1.042 1296 F HN -0.201 nan 8.300 nan 0.000 0.557 1297 S N -0.328 115.421 115.700 0.082 0.000 2.531 1297 S HA 0.051 4.520 4.470 -0.001 0.000 0.279 1297 S C 1.035 175.679 174.600 0.074 0.000 1.305 1297 S CA -0.256 57.999 58.200 0.092 0.000 1.058 1297 S CB 0.360 63.660 63.200 0.166 0.000 0.899 1297 S HN 0.361 nan 8.310 nan 0.000 0.493 1298 Y N 3.359 123.794 120.300 0.226 0.000 2.497 1298 Y HA -0.077 4.472 4.550 -0.002 0.000 0.292 1298 Y C 2.075 178.098 175.900 0.204 0.000 1.137 1298 Y CA 0.577 58.819 58.100 0.236 0.000 1.285 1298 Y CB -0.037 38.560 38.460 0.228 0.000 0.991 1298 Y HN 0.628 nan 8.280 nan 0.000 0.556 1299 M N -1.549 118.237 119.600 0.310 0.000 2.556 1299 M HA 0.027 4.506 4.480 -0.001 0.000 0.245 1299 M C -0.446 175.988 176.300 0.223 0.000 1.128 1299 M CA 0.518 55.959 55.300 0.236 0.000 1.069 1299 M CB -1.048 31.675 32.600 0.205 0.000 1.469 1299 M HN 0.149 nan 8.290 nan 0.000 0.494 1300 Y N 0.892 121.241 120.300 0.082 0.000 2.352 1300 Y HA 0.546 5.096 4.550 -0.001 0.000 0.339 1300 Y C -0.529 175.372 175.900 0.002 0.000 0.992 1300 Y CA -0.749 57.372 58.100 0.035 0.000 1.100 1300 Y CB 1.308 39.779 38.460 0.017 0.000 1.192 1300 Y HN 0.062 nan 8.280 nan 0.000 0.458 1301 S N 3.195 118.555 115.700 -0.567 0.000 2.563 1301 S HA 0.216 4.685 4.470 -0.001 0.000 0.279 1301 S C -0.590 173.675 174.600 -0.559 0.000 1.155 1301 S CA -0.591 57.336 58.200 -0.455 0.000 0.928 1301 S CB 1.137 64.207 63.200 -0.217 0.000 1.107 1301 S HN 0.693 nan 8.310 nan 0.000 0.462 1302 T N 3.111 117.389 114.554 -0.460 0.000 3.278 1302 T HA 0.466 4.815 4.350 -0.001 0.000 0.251 1302 T C 0.364 174.945 174.700 -0.198 0.000 1.039 1302 T CA 0.601 62.509 62.100 -0.321 0.000 0.935 1302 T CB -0.281 68.465 68.868 -0.204 0.000 1.034 1302 T HN 0.790 nan 8.240 nan 0.000 0.575 1303 A N 1.968 124.665 122.820 -0.204 0.000 2.340 1303 A HA 0.698 5.017 4.320 -0.001 0.000 0.331 1303 A C -2.629 174.871 177.584 -0.139 0.000 1.140 1303 A CA -2.073 49.864 52.037 -0.166 0.000 0.801 1303 A CB 0.635 19.506 19.000 -0.215 0.000 1.234 1303 A HN 0.004 nan 8.150 nan 0.000 0.469 1304 P HA 0.062 nan 4.420 nan 0.000 0.252 1304 P C 0.269 177.512 177.300 -0.096 0.000 1.183 1304 P CA 0.772 63.830 63.100 -0.069 0.000 0.973 1304 P CB -0.310 31.376 31.700 -0.023 0.000 0.990 1305 T N 5.309 119.814 114.554 -0.082 0.000 2.836 1305 T HA -0.029 4.321 4.350 -0.001 0.000 0.343 1305 T C -1.299 173.361 174.700 -0.065 0.000 1.081 1305 T CA -0.260 61.795 62.100 -0.075 0.000 1.126 1305 T CB -0.538 68.314 68.868 -0.028 0.000 1.060 1305 T HN 0.315 nan 8.240 nan 0.000 0.536 1317 G N -0.554 107.754 108.800 -0.820 0.000 5.233 1317 G HA2 0.530 4.489 3.960 -0.001 0.000 0.203 1317 G HA3 0.530 4.489 3.960 -0.001 0.000 0.203 1317 G C -0.562 174.012 174.900 -0.544 0.000 0.734 1317 G CA 0.379 45.134 45.100 -0.574 0.000 0.662 1317 G HN 1.096 nan 8.290 nan 0.000 0.468 1318 F N -0.759 119.037 119.950 -0.256 0.000 2.815 1318 F HA 0.443 4.969 4.527 -0.001 0.000 0.323 1318 F C 1.415 177.060 175.800 -0.259 0.000 1.151 1318 F CA -1.900 55.972 58.000 -0.214 0.000 1.191 1318 F CB 0.076 38.976 39.000 -0.167 0.000 1.069 1318 F HN 0.220 nan 8.300 nan 0.000 0.514 1319 G N 1.623 110.396 108.800 -0.045 0.000 2.439 1319 G HA2 -0.392 3.568 3.960 -0.001 0.000 0.305 1319 G HA3 -0.392 3.568 3.960 -0.001 0.000 0.305 1319 G C 0.312 175.268 174.900 0.095 0.000 0.966 1319 G CA 1.541 46.635 45.100 -0.009 0.000 0.890 1319 G HN 0.756 nan 8.290 nan 0.000 0.513 1320 Y N -4.013 116.402 120.300 0.192 0.000 2.527 1320 Y HA 0.488 5.037 4.550 -0.001 0.000 0.247 1320 Y C 1.994 177.957 175.900 0.106 0.000 1.138 1320 Y CA -0.258 57.953 58.100 0.184 0.000 1.228 1320 Y CB -0.629 38.005 38.460 0.290 0.000 1.252 1320 Y HN 0.066 nan 8.280 nan 0.000 0.531 1321 G N 1.999 110.829 108.800 0.049 0.000 2.469 1321 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.219 1321 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.219 1321 G C 1.508 176.450 174.900 0.070 0.000 1.150 1321 G CA 1.557 46.697 45.100 0.067 0.000 0.763 1321 G HN 0.453 nan 8.290 nan 0.000 0.561 1322 L N 0.600 121.794 121.223 -0.049 0.000 2.127 1322 L HA 0.039 4.378 4.340 -0.001 0.000 0.203 1322 L C -0.021 176.913 176.870 0.107 0.000 1.080 1322 L CA 0.662 55.418 54.840 -0.140 0.000 0.768 1322 L CB -0.549 41.135 42.059 -0.626 0.000 0.924 1322 L HN 0.178 nan 8.230 nan 0.000 0.444 1323 P HA -0.136 nan 4.420 nan 0.000 0.217 1323 P C 1.811 179.274 177.300 0.272 0.000 1.151 1323 P CA 1.425 64.656 63.100 0.219 0.000 0.828 1323 P CB 0.107 31.605 31.700 -0.338 0.000 0.788 1324 I N -1.081 119.664 120.570 0.291 0.000 2.353 1324 I HA -0.164 4.005 4.170 -0.001 0.000 0.248 1324 I C 2.133 178.481 176.117 0.385 0.000 1.119 1324 I CA 1.295 62.774 61.300 0.298 0.000 1.417 1324 I CB -0.581 37.586 38.000 0.278 0.000 1.078 1324 I HN -0.045 nan 8.210 nan 0.000 0.421 1325 S N 0.440 116.371 115.700 0.386 0.000 2.368 1325 S HA -0.193 4.276 4.470 -0.001 0.000 0.225 1325 S C 2.115 176.923 174.600 0.347 0.000 1.030 1325 S CA 1.199 59.632 58.200 0.388 0.000 0.999 1325 S CB -0.308 63.042 63.200 0.250 0.000 0.844 1325 S HN 0.361 nan 8.310 nan 0.000 0.459 1326 R N 1.033 121.714 120.500 0.301 0.000 2.081 1326 R HA -0.038 4.301 4.340 -0.001 0.000 0.235 1326 R C 2.115 178.547 176.300 0.220 0.000 1.131 1326 R CA 1.128 57.379 56.100 0.252 0.000 0.960 1326 R CB -0.462 29.981 30.300 0.237 0.000 0.856 1326 R HN 0.378 nan 8.270 nan 0.000 0.436 1327 L N -0.276 121.064 121.223 0.196 0.000 2.083 1327 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 1327 L C 2.244 179.162 176.870 0.081 0.000 1.083 1327 L CA 1.488 56.389 54.840 0.101 0.000 0.752 1327 L CB -0.617 41.460 42.059 0.031 0.000 0.899 1327 L HN 0.247 nan 8.230 nan 0.000 0.433 1328 Y N -0.185 120.181 120.300 0.111 0.000 2.224 1328 Y HA -0.224 4.327 4.550 0.001 0.000 0.289 1328 Y C 2.635 178.730 175.900 0.325 0.000 1.146 1328 Y CA 1.215 59.410 58.100 0.158 0.000 1.182 1328 Y CB -0.306 38.196 38.460 0.071 0.000 0.983 1328 Y HN 0.144 nan 8.280 nan 0.000 0.524 1329 A N 0.091 123.161 122.820 0.417 0.000 1.897 1329 A HA -0.143 4.176 4.320 -0.001 0.000 0.215 1329 A C 2.078 179.864 177.584 0.336 0.000 1.181 1329 A CA 1.370 53.627 52.037 0.366 0.000 0.620 1329 A CB -0.353 18.805 19.000 0.264 0.000 0.821 1329 A HN 0.331 nan 8.150 nan 0.000 0.443 1330 K N -1.545 119.015 120.400 0.266 0.000 2.283 1330 K HA -0.109 4.211 4.320 -0.001 0.000 0.202 1330 K C 1.762 178.497 176.600 0.225 0.000 1.048 1330 K CA 1.082 57.494 56.287 0.208 0.000 0.948 1330 K CB -0.272 32.316 32.500 0.146 0.000 0.742 1330 K HN 0.592 nan 8.250 nan 0.000 0.458 1331 Y N 0.522 120.889 120.300 0.112 0.000 2.165 1331 Y HA -0.167 4.382 4.550 -0.003 0.000 0.286 1331 Y C 0.813 176.657 175.900 -0.094 0.000 1.155 1331 Y CA 1.284 59.376 58.100 -0.015 0.000 1.164 1331 Y CB -0.148 38.294 38.460 -0.029 0.000 0.978 1331 Y HN -0.095 nan 8.280 nan 0.000 0.513 1332 F N 1.572 121.547 119.950 0.041 0.000 2.925 1332 F HA 0.223 4.750 4.527 0.001 0.000 0.302 1332 F C 0.205 176.051 175.800 0.077 0.000 1.189 1332 F CA -0.352 57.618 58.000 -0.051 0.000 1.346 1332 F CB 0.066 39.074 39.000 0.013 0.000 0.954 1332 F HN -0.055 nan 8.300 nan 0.000 0.506 1333 Q N -0.694 119.225 119.800 0.198 0.000 2.504 1333 Q HA -0.138 4.202 4.340 -0.001 0.000 0.274 1333 Q C 0.208 176.320 176.000 0.187 0.000 1.103 1333 Q CA 0.804 56.708 55.803 0.167 0.000 0.962 1333 Q CB -1.893 26.937 28.738 0.153 0.000 1.322 1333 Q HN 0.644 nan 8.270 nan 0.000 0.500 1334 G N -0.723 108.214 108.800 0.228 0.000 2.938 1334 G HA2 0.690 4.649 3.960 -0.001 0.000 0.258 1334 G HA3 0.690 4.649 3.960 -0.001 0.000 0.258 1334 G C -0.975 174.051 174.900 0.210 0.000 1.356 1334 G CA 0.250 45.488 45.100 0.230 0.000 1.052 1334 G HN 0.088 nan 8.290 nan 0.000 0.550 1335 D N -2.230 118.315 120.400 0.242 0.000 2.653 1335 D HA 0.501 5.140 4.640 -0.001 0.000 0.258 1335 D C -1.700 174.747 176.300 0.245 0.000 1.252 1335 D CA -0.478 53.654 54.000 0.221 0.000 0.777 1335 D CB 1.853 42.768 40.800 0.192 0.000 1.339 1335 D HN 0.352 nan 8.370 nan 0.000 0.422 1336 L N 1.694 123.027 121.223 0.183 0.000 2.439 1336 L HA 0.543 4.882 4.340 -0.001 0.000 0.270 1336 L C -1.409 175.521 176.870 0.100 0.000 0.972 1336 L CA -0.236 54.688 54.840 0.141 0.000 0.836 1336 L CB 1.432 43.585 42.059 0.156 0.000 1.255 1336 L HN 0.427 nan 8.230 nan 0.000 0.404 1337 Q N 4.382 124.202 119.800 0.034 0.000 2.372 1337 Q HA 0.570 4.910 4.340 -0.001 0.000 0.273 1337 Q C -1.686 174.082 176.000 -0.387 0.000 1.078 1337 Q CA -0.919 54.784 55.803 -0.167 0.000 0.806 1337 Q CB 3.387 32.005 28.738 -0.199 0.000 1.332 1337 Q HN 0.399 nan 8.270 nan 0.000 0.435 1338 L N 2.237 123.190 121.223 -0.450 0.000 2.313 1338 L HA 0.557 4.897 4.340 -0.001 0.000 0.283 1338 L C -1.493 175.049 176.870 -0.546 0.000 1.013 1338 L CA 0.021 54.645 54.840 -0.360 0.000 0.816 1338 L CB 0.969 42.978 42.059 -0.084 0.000 1.236 1338 L HN 0.526 nan 8.230 nan 0.000 0.419 1339 F N 1.843 121.840 119.950 0.080 0.000 2.507 1339 F HA 0.572 5.098 4.527 -0.001 0.000 0.328 1339 F C 0.338 176.178 175.800 0.067 0.000 1.136 1339 F CA -0.535 57.508 58.000 0.073 0.000 0.930 1339 F CB 2.194 41.238 39.000 0.072 0.000 1.166 1339 F HN 0.352 nan 8.300 nan 0.000 0.436 1340 S N 3.529 119.365 115.700 0.226 0.000 2.607 1340 S HA 0.754 5.223 4.470 -0.001 0.000 0.303 1340 S C -0.650 174.047 174.600 0.163 0.000 1.086 1340 S CA -0.719 57.579 58.200 0.162 0.000 0.995 1340 S CB 1.095 64.355 63.200 0.100 0.000 1.084 1340 S HN 0.581 nan 8.310 nan 0.000 0.507 1341 M N 3.128 122.838 119.600 0.183 0.000 1.999 1341 M HA 0.302 4.782 4.480 -0.001 0.000 0.299 1341 M C -0.464 175.938 176.300 0.169 0.000 0.900 1341 M CA -0.329 55.076 55.300 0.175 0.000 0.904 1341 M CB 1.356 34.082 32.600 0.209 0.000 1.477 1341 M HN 0.708 nan 8.290 nan 0.000 0.403 1342 E N 1.335 121.599 120.200 0.106 0.000 2.529 1342 E HA 0.148 4.498 4.350 -0.001 0.000 0.259 1342 E C 1.131 177.787 176.600 0.093 0.000 0.966 1342 E CA 1.522 57.969 56.400 0.080 0.000 0.937 1342 E CB 0.506 30.238 29.700 0.053 0.000 0.923 1342 E HN 0.948 nan 8.360 nan 0.000 0.468 1343 G N 3.478 112.324 108.800 0.077 0.000 2.195 1343 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.246 1343 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.246 1343 G C 0.189 175.171 174.900 0.138 0.000 0.984 1343 G CA 0.331 45.476 45.100 0.076 0.000 0.633 1343 G HN 0.607 nan 8.290 nan 0.000 0.525 1344 F N 0.664 120.612 119.950 -0.002 0.000 2.282 1344 F HA 0.586 5.112 4.527 -0.001 0.000 0.255 1344 F C 1.228 177.037 175.800 0.015 0.000 0.959 1344 F CA 1.859 59.862 58.000 0.006 0.000 1.170 1344 F CB 0.451 39.458 39.000 0.012 0.000 1.376 1344 F HN 0.738 nan 8.300 nan 0.000 0.709 1345 G N -0.381 108.329 108.800 -0.149 0.000 2.428 1345 G HA2 0.467 4.426 3.960 -0.001 0.000 0.305 1345 G HA3 0.467 4.426 3.960 -0.001 0.000 0.305 1345 G C -1.659 173.258 174.900 0.029 0.000 1.260 1345 G CA -0.157 44.797 45.100 -0.244 0.000 0.853 1345 G HN 0.221 nan 8.290 nan 0.000 0.480 1346 T N 0.524 115.077 114.554 -0.000 0.000 2.916 1346 T HA 0.625 4.974 4.350 -0.001 0.000 0.305 1346 T C -1.976 172.755 174.700 0.052 0.000 1.119 1346 T CA -0.486 61.644 62.100 0.049 0.000 1.008 1346 T CB 2.078 70.945 68.868 -0.001 0.000 1.129 1346 T HN 0.363 nan 8.240 nan 0.000 0.480 1347 D N 1.798 122.256 120.400 0.097 0.000 2.471 1347 D HA 0.593 5.233 4.640 -0.001 0.000 0.245 1347 D C -0.726 175.598 176.300 0.040 0.000 1.116 1347 D CA -0.237 53.822 54.000 0.098 0.000 0.853 1347 D CB 1.478 42.402 40.800 0.207 0.000 1.123 1347 D HN 0.679 nan 8.370 nan 0.000 0.540 1348 A N 2.235 125.031 122.820 -0.039 0.000 2.260 1348 A HA 0.626 4.946 4.320 -0.001 0.000 0.314 1348 A C -0.395 177.126 177.584 -0.106 0.000 1.257 1348 A CA -0.530 51.453 52.037 -0.091 0.000 0.871 1348 A CB 0.657 19.581 19.000 -0.127 0.000 1.166 1348 A HN 0.351 nan 8.150 nan 0.000 0.522 1349 V N 4.012 123.850 119.914 -0.128 0.000 2.495 1349 V HA 0.403 4.523 4.120 -0.001 0.000 0.298 1349 V C -0.263 175.615 176.094 -0.360 0.000 1.031 1349 V CA -0.312 61.829 62.300 -0.266 0.000 0.871 1349 V CB 1.544 33.173 31.823 -0.324 0.000 0.988 1349 V HN 0.759 nan 8.190 nan 0.000 0.432 1350 I N 4.667 125.018 120.570 -0.364 0.000 2.321 1350 I HA 0.408 4.577 4.170 -0.001 0.000 0.291 1350 I C -1.033 174.881 176.117 -0.339 0.000 0.998 1350 I CA -0.300 60.856 61.300 -0.240 0.000 1.227 1350 I CB 0.888 38.816 38.000 -0.119 0.000 1.368 1350 I HN 0.527 nan 8.210 nan 0.000 0.466 1351 Y N 6.801 127.129 120.300 0.047 0.000 2.328 1351 Y HA 0.621 5.170 4.550 -0.001 0.000 0.337 1351 Y C -0.190 175.733 175.900 0.039 0.000 0.966 1351 Y CA -0.685 57.440 58.100 0.043 0.000 1.136 1351 Y CB 1.223 39.720 38.460 0.063 0.000 1.170 1351 Y HN 0.306 nan 8.280 nan 0.000 0.470 1352 L N 2.762 124.070 121.223 0.142 0.000 2.323 1352 L HA 0.579 4.919 4.340 -0.001 0.000 0.265 1352 L C -0.618 176.306 176.870 0.091 0.000 1.012 1352 L CA -1.444 53.439 54.840 0.071 0.000 0.820 1352 L CB 2.008 43.990 42.059 -0.128 0.000 1.334 1352 L HN 0.418 nan 8.230 nan 0.000 0.427 1353 K N 0.374 120.837 120.400 0.105 0.000 2.322 1353 K HA 0.330 4.649 4.320 -0.001 0.000 0.283 1353 K C 0.692 177.328 176.600 0.059 0.000 1.042 1353 K CA 0.158 56.500 56.287 0.091 0.000 0.958 1353 K CB 1.622 34.188 32.500 0.111 0.000 0.984 1353 K HN 0.695 nan 8.250 nan 0.000 0.473 1354 A N 4.824 127.674 122.820 0.050 0.000 1.969 1354 A HA 0.018 4.338 4.320 -0.001 0.000 0.218 1354 A C 0.419 178.023 177.584 0.034 0.000 1.169 1354 A CA 0.962 53.020 52.037 0.035 0.000 0.635 1354 A CB -0.178 18.844 19.000 0.036 0.000 0.810 1354 A HN 0.552 nan 8.150 nan 0.000 0.445 1355 L N 0.635 121.881 121.223 0.039 0.000 2.296 1355 L HA 0.188 4.527 4.340 -0.001 0.000 0.286 1355 L C 1.722 178.613 176.870 0.036 0.000 1.023 1355 L CA 0.023 54.884 54.840 0.034 0.000 0.812 1355 L CB 1.676 43.755 42.059 0.033 0.000 1.223 1355 L HN 0.470 nan 8.230 nan 0.000 0.421 1356 S N 0.460 116.174 115.700 0.023 0.000 2.389 1356 S HA -0.295 4.174 4.470 -0.001 0.000 0.231 1356 S C 1.921 176.542 174.600 0.034 0.000 1.052 1356 S CA 2.092 60.300 58.200 0.013 0.000 1.053 1356 S CB -0.782 62.421 63.200 0.005 0.000 0.886 1356 S HN 0.886 nan 8.310 nan 0.000 0.456 1357 T N 0.483 115.059 114.554 0.036 0.000 2.778 1357 T HA -0.183 4.167 4.350 -0.001 0.000 0.269 1357 T C 1.241 175.975 174.700 0.057 0.000 1.050 1357 T CA 1.711 63.836 62.100 0.042 0.000 1.137 1357 T CB -0.676 68.212 68.868 0.032 0.000 0.860 1357 T HN 0.571 nan 8.240 nan 0.000 0.468 1358 D N 0.933 121.371 120.400 0.064 0.000 2.355 1358 D HA 0.107 4.746 4.640 -0.001 0.000 0.206 1358 D C 0.498 176.869 176.300 0.118 0.000 1.010 1358 D CA 0.155 54.203 54.000 0.080 0.000 0.875 1358 D CB -0.055 40.789 40.800 0.073 0.000 0.966 1358 D HN 0.410 nan 8.370 nan 0.000 0.512 1359 S N 1.558 117.333 115.700 0.125 0.000 2.686 1359 S HA 0.275 4.745 4.470 -0.001 0.000 0.324 1359 S C 0.269 175.066 174.600 0.329 0.000 1.172 1359 S CA -0.349 57.976 58.200 0.209 0.000 1.127 1359 S CB 0.495 63.706 63.200 0.017 0.000 1.338 1359 S HN -0.046 nan 8.310 nan 0.000 0.547 1360 V N 2.480 122.570 119.914 0.293 0.000 2.628 1360 V HA 0.344 4.463 4.120 -0.001 0.000 0.306 1360 V C 0.450 176.543 176.094 -0.003 0.000 1.045 1360 V CA -1.138 61.275 62.300 0.188 0.000 0.905 1360 V CB 1.736 33.626 31.823 0.112 0.000 0.997 1360 V HN 0.668 nan 8.190 nan 0.000 0.436 1361 E N 2.840 122.946 120.200 -0.157 0.000 2.417 1361 E HA 0.090 4.439 4.350 -0.001 0.000 0.261 1361 E C -0.158 176.330 176.600 -0.186 0.000 1.000 1361 E CA -0.004 56.112 56.400 -0.473 0.000 0.919 1361 E CB 0.601 30.144 29.700 -0.262 0.000 0.955 1361 E HN 0.378 nan 8.360 nan 0.000 0.455 1362 R N 4.594 124.980 120.500 -0.190 0.000 2.294 1362 R HA 0.420 4.759 4.340 -0.001 0.000 0.319 1362 R C -0.966 175.444 176.300 0.183 0.000 0.984 1362 R CA -0.417 55.723 56.100 0.066 0.000 0.861 1362 R CB 0.397 30.741 30.300 0.073 0.000 1.104 1362 R HN 0.460 nan 8.270 nan 0.000 0.451 1363 L N 4.541 125.933 121.223 0.282 0.000 2.393 1363 L HA 0.542 4.881 4.340 -0.001 0.000 0.260 1363 L C -2.246 174.804 176.870 0.300 0.000 1.002 1363 L CA -2.554 52.445 54.840 0.264 0.000 0.818 1363 L CB 2.057 44.208 42.059 0.154 0.000 1.369 1363 L HN 0.468 nan 8.230 nan 0.000 0.412 1364 P HA -0.043 nan 4.420 nan 0.000 0.267 1364 P C -0.289 177.116 177.300 0.175 0.000 1.195 1364 P CA -0.259 62.898 63.100 0.095 0.000 0.773 1364 P CB 0.354 32.065 31.700 0.018 0.000 0.837 1365 V N 3.538 123.479 119.914 0.044 0.000 2.742 1365 V HA -0.089 4.031 4.120 -0.001 0.000 0.302 1365 V C 0.158 176.299 176.094 0.077 0.000 1.133 1365 V CA 1.475 63.749 62.300 -0.044 0.000 1.284 1365 V CB -1.612 30.209 31.823 -0.003 0.000 0.850 1365 V HN 0.542 nan 8.190 nan 0.000 0.494 1366 Y N 0.000 120.325 120.300 0.042 0.000 2.660 1366 Y HA 0.000 4.553 4.550 0.005 0.000 0.201 1366 Y CA 0.000 58.129 58.100 0.048 0.000 1.940 1366 Y CB 0.000 38.489 38.460 0.049 0.000 1.050 1366 Y HN 0.000 nan 8.280 nan 0.000 0.758