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 2ije_1_S DATA FIRST_RESID 1023 DATA SEQUENCE GPLGSALEIA EQLTLLDHLV FKSIPYEEFF GQGWMKAEKY ERTPYIMKTT DATA SEQUENCE KHFNHVSNFI ASEIIRNEDI SARASAIEKW VAVADICRCL HNYNAVLEIT DATA SEQUENCE SSINRSAIFR LKKTWLKVSK QTKSLLDKLQ KLVSSDGRFK NLRESLRNCD DATA SEQUENCE PPCVPYLGMY LTDLVFIEEG TPNYTEDGLV NFSKMRMISH IIREIRQFQQ DATA SEQUENCE TTYKIDPQPK VIQYLLDESF MLDEESLYES SLLIEPK 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 1023 G HA2 0.000 nan 3.960 nan 0.000 0.244 1023 G HA3 0.000 3.969 3.960 0.015 0.000 0.244 1023 G C 0.000 174.857 174.900 -0.071 0.000 0.946 1023 G CA 0.000 45.066 45.100 -0.058 0.000 0.502 1024 P HA -0.003 nan 4.420 nan 0.000 0.214 1024 P C 2.253 179.499 177.300 -0.090 0.000 1.163 1024 P CA 0.910 63.956 63.100 -0.090 0.000 0.883 1024 P CB 0.107 31.759 31.700 -0.080 0.000 0.788 1025 L N -1.216 119.965 121.223 -0.070 0.000 2.081 1025 L HA -0.153 4.196 4.340 0.015 0.000 0.212 1025 L C 2.577 179.407 176.870 -0.066 0.000 1.080 1025 L CA 1.934 56.736 54.840 -0.064 0.000 0.754 1025 L CB -1.649 40.382 42.059 -0.048 0.000 0.893 1025 L HN 0.125 nan 8.230 nan 0.000 0.433 1026 G N -0.923 107.838 108.800 -0.064 0.000 2.402 1026 G HA2 -0.197 3.772 3.960 0.015 0.000 0.216 1026 G HA3 -0.197 3.772 3.960 0.015 0.000 0.216 1026 G C 1.736 176.591 174.900 -0.075 0.000 1.162 1026 G CA 0.828 45.891 45.100 -0.061 0.000 0.777 1026 G HN 0.351 nan 8.290 nan 0.000 0.539 1027 S N 1.177 116.819 115.700 -0.096 0.000 2.355 1027 S HA 0.021 4.501 4.470 0.015 0.000 0.222 1027 S C 2.812 177.329 174.600 -0.137 0.000 1.031 1027 S CA 1.120 59.246 58.200 -0.123 0.000 0.993 1027 S CB -0.425 62.682 63.200 -0.155 0.000 0.859 1027 S HN 0.562 nan 8.310 nan 0.000 0.453 1028 A N 1.534 124.266 122.820 -0.146 0.000 1.908 1028 A HA -0.094 4.235 4.320 0.015 0.000 0.218 1028 A C 2.145 179.668 177.584 -0.103 0.000 1.181 1028 A CA 1.547 53.491 52.037 -0.154 0.000 0.627 1028 A CB -0.764 18.156 19.000 -0.133 0.000 0.818 1028 A HN 0.418 nan 8.150 nan 0.000 0.445 1029 L N 0.845 122.021 121.223 -0.079 0.000 2.017 1029 L HA -0.197 4.152 4.340 0.015 0.000 0.208 1029 L C 2.472 179.312 176.870 -0.049 0.000 1.073 1029 L CA 2.842 57.647 54.840 -0.058 0.000 0.745 1029 L CB -0.755 41.275 42.059 -0.048 0.000 0.894 1029 L HN 0.666 nan 8.230 nan 0.000 0.432 1030 E N -0.680 119.492 120.200 -0.048 0.000 2.150 1030 E HA -0.215 4.144 4.350 0.015 0.000 0.193 1030 E C 2.242 178.834 176.600 -0.014 0.000 0.985 1030 E CA 1.575 57.957 56.400 -0.029 0.000 0.814 1030 E CB -0.598 29.086 29.700 -0.026 0.000 0.752 1030 E HN 0.609 nan 8.360 nan 0.000 0.466 1031 I N 1.745 122.302 120.570 -0.023 0.000 2.252 1031 I HA -0.228 3.951 4.170 0.015 0.000 0.245 1031 I C 2.670 178.800 176.117 0.022 0.000 1.102 1031 I CA 1.054 62.367 61.300 0.022 0.000 1.385 1031 I CB -0.304 37.677 38.000 -0.032 0.000 1.064 1031 I HN 0.197 nan 8.210 nan 0.000 0.414 1032 A N 0.372 123.184 122.820 -0.013 0.000 1.930 1032 A HA -0.202 4.127 4.320 0.015 0.000 0.217 1032 A C 2.197 179.747 177.584 -0.056 0.000 1.175 1032 A CA 1.532 53.557 52.037 -0.020 0.000 0.627 1032 A CB -0.485 18.492 19.000 -0.039 0.000 0.815 1032 A HN 0.432 nan 8.150 nan 0.000 0.443 1033 E N -0.605 119.561 120.200 -0.057 0.000 2.047 1033 E HA -0.179 4.181 4.350 0.015 0.000 0.191 1033 E C 2.259 178.814 176.600 -0.074 0.000 0.987 1033 E CA 1.141 57.492 56.400 -0.081 0.000 0.799 1033 E CB -0.161 29.510 29.700 -0.048 0.000 0.752 1033 E HN 0.518 nan 8.360 nan 0.000 0.449 1034 Q N 0.570 120.355 119.800 -0.025 0.000 2.119 1034 Q HA -0.080 4.270 4.340 0.015 0.000 0.201 1034 Q C 2.353 178.351 176.000 -0.003 0.000 0.972 1034 Q CA 0.791 56.592 55.803 -0.003 0.000 0.847 1034 Q CB -0.288 28.468 28.738 0.030 0.000 0.903 1034 Q HN 0.349 nan 8.270 nan 0.000 0.433 1035 L N 0.350 121.575 121.223 0.003 0.000 2.046 1035 L HA -0.188 4.161 4.340 0.015 0.000 0.208 1035 L C 2.171 179.038 176.870 -0.006 0.000 1.077 1035 L CA 1.394 56.247 54.840 0.021 0.000 0.747 1035 L CB -0.400 41.684 42.059 0.041 0.000 0.896 1035 L HN 0.240 nan 8.230 nan 0.000 0.432 1036 T N 0.041 114.537 114.554 -0.096 0.000 2.788 1036 T HA -0.176 4.183 4.350 0.015 0.000 0.268 1036 T C 1.940 176.523 174.700 -0.195 0.000 1.044 1036 T CA 0.988 62.953 62.100 -0.224 0.000 1.139 1036 T CB -0.138 68.448 68.868 -0.470 0.000 0.867 1036 T HN 0.205 nan 8.240 nan 0.000 0.454 1037 L N 0.303 121.446 121.223 -0.133 0.000 2.046 1037 L HA -0.064 4.285 4.340 0.015 0.000 0.208 1037 L C 2.428 179.325 176.870 0.045 0.000 1.077 1037 L CA 1.266 56.094 54.840 -0.020 0.000 0.747 1037 L CB -0.467 41.592 42.059 0.000 0.000 0.896 1037 L HN 0.290 nan 8.230 nan 0.000 0.432 1038 L N -0.943 120.293 121.223 0.022 0.000 2.056 1038 L HA -0.221 4.129 4.340 0.015 0.000 0.207 1038 L C 2.292 179.111 176.870 -0.085 0.000 1.078 1038 L CA 1.040 55.876 54.840 -0.007 0.000 0.749 1038 L CB -0.610 41.485 42.059 0.060 0.000 0.901 1038 L HN 0.264 nan 8.230 nan 0.000 0.433 1039 D N -0.850 119.569 120.400 0.033 0.000 2.092 1039 D HA -0.248 4.402 4.640 0.015 0.000 0.193 1039 D C 2.066 178.426 176.300 0.100 0.000 0.994 1039 D CA 1.345 55.387 54.000 0.071 0.000 0.828 1039 D CB -0.180 40.699 40.800 0.132 0.000 0.963 1039 D HN 0.361 nan 8.370 nan 0.000 0.450 1040 H N 0.404 119.536 119.070 0.104 0.000 2.387 1040 H HA -0.102 4.463 4.556 0.015 0.000 0.299 1040 H C 2.296 177.755 175.328 0.219 0.000 1.090 1040 H CA 0.751 56.953 56.048 0.256 0.000 1.332 1040 H CB -0.080 29.885 29.762 0.338 0.000 1.386 1040 H HN 0.088 nan 8.280 nan 0.000 0.516 1041 L N 0.512 121.821 121.223 0.143 0.000 2.017 1041 L HA -0.115 4.234 4.340 0.015 0.000 0.208 1041 L C 2.721 179.584 176.870 -0.012 0.000 1.073 1041 L CA 1.437 56.318 54.840 0.068 0.000 0.745 1041 L CB -0.956 41.135 42.059 0.054 0.000 0.894 1041 L HN 0.124 nan 8.230 nan 0.000 0.432 1042 V N -0.766 119.117 119.914 -0.051 0.000 2.407 1042 V HA -0.280 3.849 4.120 0.015 0.000 0.248 1042 V C 2.345 178.466 176.094 0.045 0.000 1.055 1042 V CA 2.050 64.331 62.300 -0.033 0.000 1.049 1042 V CB -0.552 31.176 31.823 -0.158 0.000 0.662 1042 V HN 0.608 nan 8.190 nan 0.000 0.455 1043 F N 1.782 121.669 119.950 -0.105 0.000 2.134 1043 F HA -0.113 4.425 4.527 0.017 0.000 0.299 1043 F C 2.323 178.047 175.800 -0.126 0.000 1.097 1043 F CA 2.445 60.387 58.000 -0.096 0.000 1.264 1043 F CB -0.534 38.393 39.000 -0.122 0.000 1.001 1043 F HN 0.184 nan 8.300 nan 0.000 0.479 1044 K N -0.301 119.832 120.400 -0.445 0.000 2.288 1044 K HA -0.054 4.275 4.320 0.015 0.000 0.201 1044 K C 1.582 177.998 176.600 -0.307 0.000 1.048 1044 K CA 1.274 57.283 56.287 -0.464 0.000 0.956 1044 K CB -0.181 32.158 32.500 -0.268 0.000 0.746 1044 K HN 0.237 nan 8.250 nan 0.000 0.461 1045 S N 0.862 116.430 115.700 -0.221 0.000 2.603 1045 S HA 0.146 4.626 4.470 0.015 0.000 0.220 1045 S C 0.484 174.801 174.600 -0.471 0.000 0.967 1045 S CA -0.001 58.044 58.200 -0.258 0.000 0.920 1045 S CB -0.108 63.061 63.200 -0.053 0.000 0.773 1045 S HN 0.226 nan 8.310 nan 0.000 0.529 1046 I N 4.530 124.890 120.570 -0.350 0.000 2.421 1046 I HA 0.147 4.326 4.170 0.015 0.000 0.291 1046 I C -2.206 173.649 176.117 -0.437 0.000 1.089 1046 I CA -2.157 58.914 61.300 -0.381 0.000 1.354 1046 I CB 0.486 38.306 38.000 -0.298 0.000 1.413 1046 I HN -0.075 nan 8.210 nan 0.000 0.513 1047 P HA -0.075 nan 4.420 nan 0.000 0.271 1047 P C 0.244 177.292 177.300 -0.420 0.000 1.220 1047 P CA -0.075 62.766 63.100 -0.432 0.000 0.768 1047 P CB 0.366 31.797 31.700 -0.447 0.000 0.848 1048 Y N 2.209 122.344 120.300 -0.276 0.000 2.465 1048 Y HA -0.192 4.367 4.550 0.016 0.000 0.289 1048 Y C 1.457 177.070 175.900 -0.478 0.000 1.150 1048 Y CA 1.283 59.255 58.100 -0.214 0.000 1.293 1048 Y CB -1.303 37.096 38.460 -0.101 0.000 0.977 1048 Y HN 0.227 nan 8.280 nan 0.000 0.556 1049 E N 1.041 120.794 120.200 -0.744 0.000 2.204 1049 E HA -0.145 4.215 4.350 0.015 0.000 0.194 1049 E C 1.818 178.159 176.600 -0.432 0.000 0.989 1049 E CA 1.402 57.409 56.400 -0.654 0.000 0.824 1049 E CB -0.250 29.199 29.700 -0.417 0.000 0.756 1049 E HN 0.707 nan 8.360 nan 0.000 0.477 1050 E N -0.474 119.457 120.200 -0.449 0.000 2.268 1050 E HA -0.119 4.240 4.350 0.015 0.000 0.195 1050 E C 0.963 177.443 176.600 -0.201 0.000 0.995 1050 E CA 0.489 56.691 56.400 -0.330 0.000 0.836 1050 E CB -0.136 29.306 29.700 -0.430 0.000 0.763 1050 E HN 0.387 nan 8.360 nan 0.000 0.491 1051 F N -0.278 119.651 119.950 -0.036 0.000 2.811 1051 F HA 0.081 4.618 4.527 0.017 0.000 0.301 1051 F C 0.653 176.667 175.800 0.357 0.000 1.151 1051 F CA -0.023 58.075 58.000 0.162 0.000 1.412 1051 F CB 0.128 39.116 39.000 -0.020 0.000 1.113 1051 F HN -0.142 nan 8.300 nan 0.000 0.579 1052 F N 0.574 120.723 119.950 0.332 0.000 2.420 1052 F HA 0.408 4.944 4.527 0.015 0.000 0.352 1052 F C 1.237 177.097 175.800 0.100 0.000 1.108 1052 F CA -0.489 57.631 58.000 0.200 0.000 1.162 1052 F CB 1.012 40.091 39.000 0.131 0.000 1.118 1052 F HN 0.069 nan 8.300 nan 0.000 0.510 1053 G N 3.052 111.991 108.800 0.233 0.000 2.198 1053 G HA2 -0.350 3.619 3.960 0.015 0.000 0.257 1053 G HA3 -0.350 3.619 3.960 0.015 0.000 0.257 1053 G C 0.360 175.159 174.900 -0.169 0.000 1.042 1053 G CA 0.223 45.339 45.100 0.025 0.000 0.791 1053 G HN 0.974 nan 8.290 nan 0.000 0.502 1054 Q N -2.777 116.795 119.800 -0.381 0.000 2.372 1054 Q HA -0.259 4.090 4.340 0.015 0.000 0.333 1054 Q C 1.427 176.844 176.000 -0.972 0.000 1.285 1054 Q CA 1.626 56.685 55.803 -1.239 0.000 0.983 1054 Q CB -2.038 26.197 28.738 -0.839 0.000 1.229 1054 Q HN 1.649 nan 8.270 nan 0.000 0.442 1055 G N 0.820 109.343 108.800 -0.462 0.000 2.470 1055 G HA2 -0.161 3.808 3.960 0.015 0.000 0.220 1055 G HA3 -0.161 3.808 3.960 0.015 0.000 0.220 1055 G C 0.739 175.541 174.900 -0.164 0.000 1.121 1055 G CA 0.530 45.508 45.100 -0.202 0.000 0.766 1055 G HN 0.924 nan 8.290 nan 0.000 0.553 1056 W N -0.617 120.667 121.300 -0.027 0.000 2.825 1056 W HA 0.313 4.983 4.660 0.016 0.000 0.243 1056 W C 1.522 178.011 176.519 -0.049 0.000 1.293 1056 W CA 0.208 57.514 57.345 -0.064 0.000 1.403 1056 W CB -0.128 29.302 29.460 -0.049 0.000 1.134 1056 W HN -0.020 nan 8.180 nan 0.000 0.666 1057 M N 0.809 120.134 119.600 -0.459 0.000 2.371 1057 M HA 0.170 4.659 4.480 0.015 0.000 0.246 1057 M C 0.285 176.494 176.300 -0.151 0.000 1.103 1057 M CA 0.553 55.694 55.300 -0.265 0.000 1.010 1057 M CB -0.522 31.855 32.600 -0.371 0.000 1.457 1057 M HN -0.223 nan 8.290 nan 0.000 0.486 1058 K N 0.081 120.396 120.400 -0.141 0.000 2.132 1058 K HA 0.527 4.857 4.320 0.015 0.000 0.241 1058 K C 1.020 177.603 176.600 -0.030 0.000 1.000 1058 K CA -0.141 56.099 56.287 -0.078 0.000 0.911 1058 K CB 0.693 33.146 32.500 -0.078 0.000 1.093 1058 K HN -0.073 nan 8.250 nan 0.000 0.460 1059 A N 0.902 123.720 122.820 -0.003 0.000 2.067 1059 A HA -0.114 4.215 4.320 0.015 0.000 0.219 1059 A C 0.835 178.453 177.584 0.057 0.000 1.158 1059 A CA 1.299 53.357 52.037 0.035 0.000 0.661 1059 A CB -0.301 18.718 19.000 0.032 0.000 0.801 1059 A HN 0.688 nan 8.150 nan 0.000 0.452 1060 E N 0.302 120.520 120.200 0.030 0.000 2.403 1060 E HA 0.021 4.381 4.350 0.015 0.000 0.187 1060 E C 1.404 178.022 176.600 0.032 0.000 1.073 1060 E CA 0.511 56.938 56.400 0.045 0.000 0.888 1060 E CB -0.147 29.568 29.700 0.025 0.000 1.035 1060 E HN 0.834 nan 8.360 nan 0.000 0.471 1061 K N 0.095 120.488 120.400 -0.011 0.000 2.044 1061 K HA -0.270 4.060 4.320 0.015 0.000 0.210 1061 K C 1.081 177.589 176.600 -0.154 0.000 1.049 1061 K CA 1.541 57.764 56.287 -0.105 0.000 0.927 1061 K CB -0.577 31.795 32.500 -0.212 0.000 0.713 1061 K HN 0.201 nan 8.250 nan 0.000 0.443 1062 Y N 1.490 121.806 120.300 0.028 0.000 2.421 1062 Y HA -0.095 4.464 4.550 0.016 0.000 0.292 1062 Y C 1.910 177.807 175.900 -0.005 0.000 1.136 1062 Y CA 1.239 59.343 58.100 0.008 0.000 1.255 1062 Y CB 0.045 38.505 38.460 0.000 0.000 0.991 1062 Y HN 0.261 nan 8.280 nan 0.000 0.552 1063 E N -0.615 119.657 120.200 0.120 0.000 2.127 1063 E HA 0.009 4.368 4.350 0.015 0.000 0.191 1063 E C 2.062 178.686 176.600 0.040 0.000 0.964 1063 E CA 0.497 56.940 56.400 0.070 0.000 0.832 1063 E CB -0.108 29.629 29.700 0.062 0.000 0.790 1063 E HN 0.219 nan 8.360 nan 0.000 0.465 1064 R N 0.435 120.953 120.500 0.029 0.000 2.075 1064 R HA 0.015 4.364 4.340 0.015 0.000 0.226 1064 R C 0.309 176.623 176.300 0.023 0.000 1.114 1064 R CA 1.670 57.784 56.100 0.022 0.000 0.972 1064 R CB 0.235 30.545 30.300 0.016 0.000 0.869 1064 R HN 0.237 nan 8.270 nan 0.000 0.437 1065 T N -1.653 112.911 114.554 0.017 0.000 3.514 1065 T HA 0.315 4.674 4.350 0.015 0.000 0.259 1065 T C -2.041 172.650 174.700 -0.015 0.000 1.466 1065 T CA -1.572 60.539 62.100 0.019 0.000 1.562 1065 T CB 1.419 70.342 68.868 0.091 0.000 0.924 1065 T HN 0.058 nan 8.240 nan 0.000 0.678 1066 P HA -0.166 nan 4.420 nan 0.000 0.216 1066 P C 0.708 177.905 177.300 -0.172 0.000 1.150 1066 P CA 1.103 64.149 63.100 -0.090 0.000 0.837 1066 P CB 0.018 31.635 31.700 -0.139 0.000 0.786 1067 Y N -0.200 120.054 120.300 -0.077 0.000 2.263 1067 Y HA -0.046 4.513 4.550 0.015 0.000 0.292 1067 Y C 2.766 178.608 175.900 -0.097 0.000 1.130 1067 Y CA 0.820 58.865 58.100 -0.092 0.000 1.179 1067 Y CB -1.028 37.347 38.460 -0.141 0.000 0.998 1067 Y HN -0.198 nan 8.280 nan 0.000 0.532 1068 I N -0.766 119.806 120.570 0.003 0.000 2.226 1068 I HA -0.334 3.845 4.170 0.015 0.000 0.245 1068 I C 2.105 178.203 176.117 -0.032 0.000 1.100 1068 I CA 1.083 62.346 61.300 -0.062 0.000 1.374 1068 I CB -0.292 37.619 38.000 -0.148 0.000 1.057 1068 I HN 0.257 nan 8.210 nan 0.000 0.413 1069 M N 0.335 119.908 119.600 -0.045 0.000 2.159 1069 M HA -0.198 4.291 4.480 0.015 0.000 0.263 1069 M C 2.167 178.488 176.300 0.034 0.000 1.063 1069 M CA 1.718 56.991 55.300 -0.045 0.000 1.110 1069 M CB -1.075 31.439 32.600 -0.144 0.000 1.374 1069 M HN 0.185 nan 8.290 nan 0.000 0.411 1070 K N -0.584 119.825 120.400 0.015 0.000 2.148 1070 K HA -0.077 4.252 4.320 0.015 0.000 0.204 1070 K C 2.010 178.677 176.600 0.113 0.000 1.050 1070 K CA 1.528 57.838 56.287 0.038 0.000 0.942 1070 K CB -0.164 32.311 32.500 -0.042 0.000 0.724 1070 K HN 0.312 nan 8.250 nan 0.000 0.446 1071 T N 0.500 115.121 114.554 0.112 0.000 2.777 1071 T HA -0.108 4.252 4.350 0.015 0.000 0.266 1071 T C 1.876 176.711 174.700 0.226 0.000 1.040 1071 T CA 1.672 63.877 62.100 0.174 0.000 1.141 1071 T CB -0.278 68.677 68.868 0.145 0.000 0.868 1071 T HN 0.242 nan 8.240 nan 0.000 0.444 1072 T N 1.565 116.202 114.554 0.137 0.000 2.821 1072 T HA -0.041 4.318 4.350 0.015 0.000 0.267 1072 T C 1.944 176.771 174.700 0.213 0.000 1.046 1072 T CA 1.054 63.233 62.100 0.132 0.000 1.139 1072 T CB -0.101 68.791 68.868 0.041 0.000 0.871 1072 T HN 0.394 nan 8.240 nan 0.000 0.454 1073 K N 0.216 120.731 120.400 0.192 0.000 2.025 1073 K HA -0.197 4.132 4.320 0.015 0.000 0.207 1073 K C 2.280 179.017 176.600 0.229 0.000 1.049 1073 K CA 1.515 57.917 56.287 0.192 0.000 0.933 1073 K CB -0.205 32.386 32.500 0.151 0.000 0.714 1073 K HN 0.401 nan 8.250 nan 0.000 0.438 1074 H N -0.332 118.833 119.070 0.158 0.000 2.352 1074 H HA -0.179 4.386 4.556 0.015 0.000 0.299 1074 H C 1.789 177.246 175.328 0.215 0.000 1.097 1074 H CA 2.281 58.425 56.048 0.158 0.000 1.311 1074 H CB -0.408 29.428 29.762 0.123 0.000 1.377 1074 H HN 0.309 nan 8.280 nan 0.000 0.504 1075 F N 0.793 120.789 119.950 0.075 0.000 2.126 1075 F HA -0.238 4.298 4.527 0.014 0.000 0.299 1075 F C 1.950 177.739 175.800 -0.020 0.000 1.096 1075 F CA 1.653 59.667 58.000 0.024 0.000 1.255 1075 F CB -0.149 38.932 39.000 0.135 0.000 0.997 1075 F HN 0.209 nan 8.300 nan 0.000 0.479 1076 N N -0.605 118.304 118.700 0.348 0.000 2.270 1076 N HA -0.191 4.558 4.740 0.015 0.000 0.181 1076 N C 1.663 177.207 175.510 0.056 0.000 1.016 1076 N CA 1.405 54.586 53.050 0.219 0.000 0.870 1076 N CB -0.758 37.855 38.487 0.211 0.000 0.979 1076 N HN 0.505 nan 8.380 nan 0.000 0.431 1077 H N 1.147 120.189 119.070 -0.047 0.000 2.293 1077 H HA 0.015 4.580 4.556 0.015 0.000 0.300 1077 H C 1.891 177.127 175.328 -0.153 0.000 1.082 1077 H CA 1.728 57.721 56.048 -0.091 0.000 1.308 1077 H CB -0.322 29.375 29.762 -0.108 0.000 1.375 1077 H HN -0.136 nan 8.280 nan 0.000 0.495 1078 V N -0.058 119.594 119.914 -0.436 0.000 2.287 1078 V HA -0.285 3.844 4.120 0.015 0.000 0.248 1078 V C 2.744 178.586 176.094 -0.421 0.000 1.053 1078 V CA 2.077 64.066 62.300 -0.518 0.000 1.027 1078 V CB -1.081 30.430 31.823 -0.520 0.000 0.646 1078 V HN 0.607 nan 8.190 nan 0.000 0.447 1079 S N 0.031 115.499 115.700 -0.386 0.000 2.368 1079 S HA -0.227 4.252 4.470 0.015 0.000 0.225 1079 S C 1.943 176.421 174.600 -0.203 0.000 1.030 1079 S CA 1.857 59.873 58.200 -0.307 0.000 0.999 1079 S CB -0.480 62.579 63.200 -0.234 0.000 0.844 1079 S HN 0.658 nan 8.310 nan 0.000 0.459 1080 N N -0.066 118.539 118.700 -0.159 0.000 2.270 1080 N HA -0.047 4.702 4.740 0.015 0.000 0.181 1080 N C 1.497 176.924 175.510 -0.139 0.000 1.016 1080 N CA 1.053 54.035 53.050 -0.114 0.000 0.870 1080 N CB -0.417 38.027 38.487 -0.072 0.000 0.979 1080 N HN 0.519 nan 8.380 nan 0.000 0.431 1081 F N 2.241 121.947 119.950 -0.407 0.000 2.095 1081 F HA -0.098 4.438 4.527 0.015 0.000 0.298 1081 F C 2.153 177.831 175.800 -0.202 0.000 1.104 1081 F CA 1.194 58.962 58.000 -0.387 0.000 1.232 1081 F CB -0.354 38.275 39.000 -0.618 0.000 0.987 1081 F HN -0.096 nan 8.300 nan 0.000 0.475 1082 I N 0.204 120.687 120.570 -0.146 0.000 2.179 1082 I HA -0.295 3.884 4.170 0.015 0.000 0.242 1082 I C 2.704 178.638 176.117 -0.305 0.000 1.088 1082 I CA 1.261 62.264 61.300 -0.494 0.000 1.357 1082 I CB -1.001 36.462 38.000 -0.895 0.000 1.051 1082 I HN 0.245 nan 8.210 nan 0.000 0.409 1083 A N 0.023 122.730 122.820 -0.189 0.000 1.933 1083 A HA -0.183 4.146 4.320 0.015 0.000 0.218 1083 A C 2.485 180.043 177.584 -0.045 0.000 1.175 1083 A CA 2.120 54.105 52.037 -0.086 0.000 0.628 1083 A CB -0.682 18.296 19.000 -0.038 0.000 0.814 1083 A HN 0.380 nan 8.150 nan 0.000 0.444 1084 S N -0.733 114.951 115.700 -0.026 0.000 2.356 1084 S HA -0.188 4.291 4.470 0.015 0.000 0.223 1084 S C 1.995 176.586 174.600 -0.015 0.000 1.032 1084 S CA 1.460 59.687 58.200 0.046 0.000 1.005 1084 S CB -0.310 62.982 63.200 0.152 0.000 0.867 1084 S HN 0.772 nan 8.310 nan 0.000 0.449 1085 E N 0.886 121.043 120.200 -0.071 0.000 2.085 1085 E HA -0.159 4.201 4.350 0.015 0.000 0.194 1085 E C 1.974 178.501 176.600 -0.122 0.000 0.994 1085 E CA 1.156 57.385 56.400 -0.284 0.000 0.801 1085 E CB -0.219 29.379 29.700 -0.170 0.000 0.743 1085 E HN 0.486 nan 8.360 nan 0.000 0.453 1086 I N 0.965 121.513 120.570 -0.036 0.000 2.179 1086 I HA -0.280 3.899 4.170 0.015 0.000 0.242 1086 I C 2.396 178.482 176.117 -0.051 0.000 1.088 1086 I CA 0.697 61.988 61.300 -0.015 0.000 1.357 1086 I CB -0.249 37.749 38.000 -0.003 0.000 1.051 1086 I HN 0.273 nan 8.210 nan 0.000 0.409 1087 I N 0.827 121.370 120.570 -0.045 0.000 2.286 1087 I HA -0.241 3.938 4.170 0.015 0.000 0.248 1087 I C 2.360 178.441 176.117 -0.059 0.000 1.115 1087 I CA 1.622 62.898 61.300 -0.041 0.000 1.392 1087 I CB -0.973 37.017 38.000 -0.016 0.000 1.065 1087 I HN 0.281 nan 8.210 nan 0.000 0.418 1088 R N 0.520 120.969 120.500 -0.086 0.000 2.323 1088 R HA 0.012 4.362 4.340 0.015 0.000 0.198 1088 R C 0.486 176.718 176.300 -0.114 0.000 0.988 1088 R CA -0.101 55.937 56.100 -0.104 0.000 1.041 1088 R CB -0.327 29.880 30.300 -0.155 0.000 0.926 1088 R HN 0.371 nan 8.270 nan 0.000 0.476 1089 N N 2.102 120.739 118.700 -0.105 0.000 2.452 1089 N HA -0.048 4.702 4.740 0.015 0.000 0.266 1089 N C 0.774 176.237 175.510 -0.078 0.000 1.175 1089 N CA 0.258 53.251 53.050 -0.095 0.000 0.945 1089 N CB 0.931 39.367 38.487 -0.085 0.000 1.063 1089 N HN 0.231 nan 8.380 nan 0.000 0.472 1090 E N 1.644 121.801 120.200 -0.072 0.000 2.068 1090 E HA -0.241 4.118 4.350 0.015 0.000 0.207 1090 E C -0.089 176.478 176.600 -0.055 0.000 1.032 1090 E CA 1.600 57.965 56.400 -0.059 0.000 0.839 1090 E CB -0.088 29.580 29.700 -0.053 0.000 0.758 1090 E HN 0.732 nan 8.360 nan 0.000 0.457 1091 D N -1.620 118.745 120.400 -0.058 0.000 2.467 1091 D HA 0.262 4.912 4.640 0.015 0.000 0.245 1091 D C 0.924 177.184 176.300 -0.066 0.000 1.038 1091 D CA -0.690 53.276 54.000 -0.055 0.000 1.038 1091 D CB 0.669 41.439 40.800 -0.049 0.000 1.278 1091 D HN -0.129 nan 8.370 nan 0.000 0.564 1092 I N -0.280 120.251 120.570 -0.064 0.000 2.264 1092 I HA -0.270 3.909 4.170 0.015 0.000 0.248 1092 I C 1.817 177.881 176.117 -0.088 0.000 1.111 1092 I CA 1.201 62.455 61.300 -0.077 0.000 1.382 1092 I CB -0.326 37.635 38.000 -0.065 0.000 1.060 1092 I HN 0.351 nan 8.210 nan 0.000 0.418 1093 S N 0.482 116.137 115.700 -0.074 0.000 2.406 1093 S HA -0.014 4.465 4.470 0.015 0.000 0.228 1093 S C 2.185 176.736 174.600 -0.082 0.000 1.020 1093 S CA 1.096 59.251 58.200 -0.075 0.000 0.965 1093 S CB -0.122 63.042 63.200 -0.060 0.000 0.798 1093 S HN 0.537 nan 8.310 nan 0.000 0.488 1094 A N 1.365 124.138 122.820 -0.078 0.000 2.014 1094 A HA 0.049 4.378 4.320 0.015 0.000 0.218 1094 A C 2.026 179.558 177.584 -0.086 0.000 1.163 1094 A CA 1.051 53.041 52.037 -0.078 0.000 0.652 1094 A CB -0.328 18.628 19.000 -0.073 0.000 0.808 1094 A HN 0.365 nan 8.150 nan 0.000 0.449 1095 R N -0.299 120.142 120.500 -0.098 0.000 2.066 1095 R HA -0.026 4.324 4.340 0.015 0.000 0.232 1095 R C 2.353 178.559 176.300 -0.158 0.000 1.131 1095 R CA 1.442 57.471 56.100 -0.117 0.000 0.955 1095 R CB -0.400 29.823 30.300 -0.128 0.000 0.851 1095 R HN 0.429 nan 8.270 nan 0.000 0.432 1096 A N 0.104 122.817 122.820 -0.178 0.000 1.902 1096 A HA -0.188 4.141 4.320 0.015 0.000 0.217 1096 A C 2.106 179.594 177.584 -0.159 0.000 1.181 1096 A CA 2.033 53.938 52.037 -0.219 0.000 0.623 1096 A CB -0.779 18.114 19.000 -0.179 0.000 0.818 1096 A HN 0.555 nan 8.150 nan 0.000 0.443 1097 S N -0.120 115.511 115.700 -0.115 0.000 2.447 1097 S HA 0.150 4.629 4.470 0.015 0.000 0.233 1097 S C 1.959 176.506 174.600 -0.088 0.000 1.006 1097 S CA 1.115 59.258 58.200 -0.095 0.000 0.957 1097 S CB -0.456 62.692 63.200 -0.087 0.000 0.773 1097 S HN 0.830 nan 8.310 nan 0.000 0.507 1098 A N 1.937 124.718 122.820 -0.065 0.000 1.929 1098 A HA 0.217 4.546 4.320 0.015 0.000 0.216 1098 A C 2.167 179.807 177.584 0.093 0.000 1.176 1098 A CA 1.071 53.111 52.037 0.003 0.000 0.628 1098 A CB -0.684 18.354 19.000 0.062 0.000 0.816 1098 A HN 0.555 nan 8.150 nan 0.000 0.444 1099 I N -0.243 120.337 120.570 0.016 0.000 2.252 1099 I HA -0.240 3.940 4.170 0.015 0.000 0.245 1099 I C 2.407 178.545 176.117 0.035 0.000 1.102 1099 I CA 1.450 62.763 61.300 0.022 0.000 1.385 1099 I CB -0.387 37.461 38.000 -0.254 0.000 1.064 1099 I HN 0.439 nan 8.210 nan 0.000 0.414 1100 E N 0.679 120.856 120.200 -0.038 0.000 2.150 1100 E HA -0.241 4.118 4.350 0.015 0.000 0.193 1100 E C 2.116 178.692 176.600 -0.040 0.000 0.985 1100 E CA 0.754 57.138 56.400 -0.026 0.000 0.814 1100 E CB -0.093 29.577 29.700 -0.050 0.000 0.752 1100 E HN 0.352 nan 8.360 nan 0.000 0.466 1101 K N 0.734 121.072 120.400 -0.103 0.000 2.002 1101 K HA -0.171 4.158 4.320 0.015 0.000 0.209 1101 K C 1.769 178.224 176.600 -0.241 0.000 1.048 1101 K CA 1.339 57.490 56.287 -0.226 0.000 0.930 1101 K CB -0.196 32.080 32.500 -0.374 0.000 0.714 1101 K HN 0.175 nan 8.250 nan 0.000 0.438 1102 W N 0.812 122.120 121.300 0.014 0.000 2.363 1102 W HA -0.154 4.515 4.660 0.013 0.000 0.296 1102 W C 2.156 178.690 176.519 0.024 0.000 1.212 1102 W CA 0.434 57.796 57.345 0.029 0.000 1.260 1102 W CB -0.314 29.170 29.460 0.039 0.000 1.131 1102 W HN -0.124 nan 8.180 nan 0.000 0.530 1103 V N 0.495 120.541 119.914 0.219 0.000 2.407 1103 V HA -0.291 3.839 4.120 0.015 0.000 0.248 1103 V C 2.293 178.440 176.094 0.089 0.000 1.055 1103 V CA 1.895 64.289 62.300 0.156 0.000 1.049 1103 V CB -1.375 30.531 31.823 0.138 0.000 0.662 1103 V HN 0.240 nan 8.190 nan 0.000 0.455 1104 A N -0.288 122.555 122.820 0.039 0.000 1.930 1104 A HA -0.130 4.199 4.320 0.015 0.000 0.217 1104 A C 2.365 179.945 177.584 -0.006 0.000 1.175 1104 A CA 1.868 53.904 52.037 -0.002 0.000 0.627 1104 A CB -0.538 18.436 19.000 -0.043 0.000 0.815 1104 A HN 0.345 nan 8.150 nan 0.000 0.443 1105 V N -0.135 119.780 119.914 0.002 0.000 2.358 1105 V HA -0.226 3.903 4.120 0.015 0.000 0.246 1105 V C 3.042 179.171 176.094 0.058 0.000 1.047 1105 V CA 1.818 64.128 62.300 0.017 0.000 1.035 1105 V CB -1.222 30.632 31.823 0.051 0.000 0.658 1105 V HN 0.602 nan 8.190 nan 0.000 0.452 1106 A N 0.117 122.999 122.820 0.103 0.000 1.902 1106 A HA -0.314 4.016 4.320 0.015 0.000 0.217 1106 A C 2.045 179.641 177.584 0.020 0.000 1.181 1106 A CA 2.292 54.373 52.037 0.073 0.000 0.623 1106 A CB -0.702 18.358 19.000 0.100 0.000 0.818 1106 A HN 0.593 nan 8.150 nan 0.000 0.443 1107 D N -0.364 120.047 120.400 0.019 0.000 2.117 1107 D HA -0.091 4.558 4.640 0.015 0.000 0.198 1107 D C 1.719 177.993 176.300 -0.043 0.000 0.982 1107 D CA 1.231 55.227 54.000 -0.007 0.000 0.828 1107 D CB -0.191 40.612 40.800 0.004 0.000 0.967 1107 D HN 0.486 nan 8.370 nan 0.000 0.464 1108 I N -0.197 120.348 120.570 -0.042 0.000 2.315 1108 I HA -0.273 3.906 4.170 0.015 0.000 0.248 1108 I C 2.270 178.330 176.117 -0.095 0.000 1.117 1108 I CA 0.452 61.713 61.300 -0.064 0.000 1.404 1108 I CB -0.182 37.786 38.000 -0.053 0.000 1.071 1108 I HN 0.224 nan 8.210 nan 0.000 0.419 1109 C N 0.308 119.558 119.300 -0.083 0.000 2.422 1109 C HA -0.147 4.323 4.460 0.015 0.000 0.279 1109 C C 2.950 177.817 174.990 -0.205 0.000 1.305 1109 C CA 0.768 59.715 59.018 -0.118 0.000 1.757 1109 C CB -1.200 26.496 27.740 -0.073 0.000 1.962 1109 C HN 0.453 nan 8.230 nan 0.000 0.499 1110 R N -0.024 120.361 120.500 -0.192 0.000 2.115 1110 R HA -0.130 4.219 4.340 0.015 0.000 0.230 1110 R C 1.925 178.011 176.300 -0.356 0.000 1.111 1110 R CA 1.807 57.736 56.100 -0.285 0.000 0.976 1110 R CB -0.432 29.791 30.300 -0.128 0.000 0.870 1110 R HN 0.530 nan 8.270 nan 0.000 0.445 1111 C N 0.385 119.525 119.300 -0.267 0.000 2.446 1111 C HA 0.059 4.528 4.460 0.015 0.000 0.279 1111 C C 2.222 176.944 174.990 -0.445 0.000 1.366 1111 C CA 0.259 59.088 59.018 -0.315 0.000 1.763 1111 C CB -0.608 27.032 27.740 -0.167 0.000 1.929 1111 C HN 0.465 nan 8.230 nan 0.000 0.509 1112 L N -0.767 120.278 121.223 -0.298 0.000 2.591 1112 L HA 0.111 4.460 4.340 0.015 0.000 0.228 1112 L C 0.469 177.308 176.870 -0.051 0.000 1.133 1112 L CA 0.532 55.300 54.840 -0.120 0.000 0.880 1112 L CB -0.766 41.267 42.059 -0.044 0.000 1.033 1112 L HN 0.511 nan 8.230 nan 0.000 0.450 1113 H N -1.498 117.464 119.070 -0.181 0.000 2.903 1113 H HA -0.179 4.385 4.556 0.012 0.000 0.285 1113 H C 0.516 175.639 175.328 -0.343 0.000 1.231 1113 H CA 0.251 56.070 56.048 -0.382 0.000 1.135 1113 H CB -1.481 28.236 29.762 -0.074 0.000 1.328 1113 H HN 0.252 nan 8.280 nan 0.000 0.388 1114 N N 0.639 119.198 118.700 -0.235 0.000 2.918 1114 N HA 0.061 4.810 4.740 0.015 0.000 0.247 1114 N C 0.420 175.829 175.510 -0.168 0.000 1.117 1114 N CA -0.067 52.919 53.050 -0.106 0.000 1.005 1114 N CB 0.004 38.432 38.487 -0.098 0.000 1.297 1114 N HN 0.337 nan 8.380 nan 0.000 0.513 1115 Y N 1.126 121.437 120.300 0.018 0.000 2.352 1115 Y HA -0.102 4.455 4.550 0.011 0.000 0.292 1115 Y C 2.188 178.113 175.900 0.041 0.000 1.136 1115 Y CA 0.737 58.849 58.100 0.019 0.000 1.227 1115 Y CB -0.150 38.307 38.460 -0.004 0.000 0.991 1115 Y HN 0.449 nan 8.280 nan 0.000 0.545 1116 N N 0.625 119.436 118.700 0.186 0.000 2.069 1116 N HA -0.224 4.525 4.740 0.015 0.000 0.191 1116 N C 1.923 177.512 175.510 0.132 0.000 1.031 1116 N CA 1.672 54.859 53.050 0.227 0.000 0.852 1116 N CB -0.373 38.232 38.487 0.198 0.000 1.018 1116 N HN 0.281 nan 8.380 nan 0.000 0.423 1117 A N -0.247 122.601 122.820 0.047 0.000 1.969 1117 A HA -0.023 4.306 4.320 0.015 0.000 0.218 1117 A C 2.390 179.964 177.584 -0.017 0.000 1.169 1117 A CA 1.312 53.336 52.037 -0.021 0.000 0.635 1117 A CB -0.753 18.240 19.000 -0.013 0.000 0.810 1117 A HN 0.195 nan 8.150 nan 0.000 0.445 1118 V N -0.256 119.669 119.914 0.018 0.000 2.332 1118 V HA -0.243 3.886 4.120 0.015 0.000 0.248 1118 V C 2.481 178.602 176.094 0.045 0.000 1.055 1118 V CA 2.037 64.360 62.300 0.039 0.000 1.038 1118 V CB -0.725 31.139 31.823 0.068 0.000 0.651 1118 V HN 0.595 nan 8.190 nan 0.000 0.450 1119 L N 0.211 121.470 121.223 0.061 0.000 2.044 1119 L HA -0.096 4.253 4.340 0.015 0.000 0.205 1119 L C 2.381 179.249 176.870 -0.004 0.000 1.075 1119 L CA 1.814 56.690 54.840 0.060 0.000 0.747 1119 L CB -0.833 41.249 42.059 0.038 0.000 0.903 1119 L HN 0.372 nan 8.230 nan 0.000 0.435 1120 E N -0.300 119.774 120.200 -0.211 0.000 2.070 1120 E HA -0.270 4.090 4.350 0.015 0.000 0.197 1120 E C 2.218 178.635 176.600 -0.306 0.000 1.004 1120 E CA 2.011 58.046 56.400 -0.608 0.000 0.805 1120 E CB -0.276 28.978 29.700 -0.743 0.000 0.744 1120 E HN 0.561 nan 8.360 nan 0.000 0.451 1121 I N 0.949 121.418 120.570 -0.168 0.000 2.233 1121 I HA -0.218 3.961 4.170 0.015 0.000 0.243 1121 I C 2.851 178.960 176.117 -0.013 0.000 1.093 1121 I CA 1.532 62.776 61.300 -0.092 0.000 1.380 1121 I CB -0.572 37.447 38.000 0.032 0.000 1.067 1121 I HN 0.228 nan 8.210 nan 0.000 0.413 1122 T N -1.563 113.008 114.554 0.028 0.000 2.867 1122 T HA -0.136 4.223 4.350 0.015 0.000 0.268 1122 T C 1.986 176.721 174.700 0.059 0.000 1.057 1122 T CA 1.336 63.476 62.100 0.067 0.000 1.136 1122 T CB -0.623 68.289 68.868 0.073 0.000 0.874 1122 T HN 0.441 nan 8.240 nan 0.000 0.466 1123 S N 1.080 116.802 115.700 0.038 0.000 2.387 1123 S HA -0.037 4.442 4.470 0.015 0.000 0.226 1123 S C 2.348 176.972 174.600 0.041 0.000 1.026 1123 S CA 1.059 59.291 58.200 0.053 0.000 0.972 1123 S CB -0.825 62.437 63.200 0.103 0.000 0.814 1123 S HN 0.476 nan 8.310 nan 0.000 0.477 1124 S N 1.685 117.381 115.700 -0.007 0.000 2.348 1124 S HA 0.077 4.556 4.470 0.015 0.000 0.221 1124 S C 1.773 176.395 174.600 0.035 0.000 1.033 1124 S CA 1.254 59.438 58.200 -0.027 0.000 1.010 1124 S CB -0.665 62.451 63.200 -0.139 0.000 0.891 1124 S HN 0.601 nan 8.310 nan 0.000 0.442 1125 I N 2.015 122.625 120.570 0.068 0.000 2.567 1125 I HA -0.117 4.062 4.170 0.015 0.000 0.257 1125 I C 2.182 178.455 176.117 0.260 0.000 1.184 1125 I CA 0.796 62.206 61.300 0.184 0.000 1.451 1125 I CB -0.320 37.825 38.000 0.242 0.000 1.089 1125 I HN 0.390 nan 8.210 nan 0.000 0.441 1126 N N 1.408 120.210 118.700 0.171 0.000 2.398 1126 N HA -0.024 4.725 4.740 0.015 0.000 0.188 1126 N C 0.526 176.106 175.510 0.117 0.000 1.122 1126 N CA -0.037 53.101 53.050 0.146 0.000 0.866 1126 N CB 0.304 38.825 38.487 0.057 0.000 0.970 1126 N HN 0.267 nan 8.380 nan 0.000 0.462 1127 R N 0.702 121.280 120.500 0.131 0.000 2.638 1127 R HA -0.057 4.292 4.340 0.015 0.000 0.268 1127 R C 1.819 178.229 176.300 0.184 0.000 1.006 1127 R CA 0.305 56.477 56.100 0.121 0.000 1.088 1127 R CB 0.596 30.970 30.300 0.124 0.000 0.950 1127 R HN 0.232 nan 8.270 nan 0.000 0.419 1128 S N 2.075 117.868 115.700 0.156 0.000 2.383 1128 S HA -0.249 4.230 4.470 0.015 0.000 0.229 1128 S C 2.030 176.851 174.600 0.368 0.000 1.030 1128 S CA 1.130 59.474 58.200 0.240 0.000 1.002 1128 S CB -0.256 63.051 63.200 0.178 0.000 0.829 1128 S HN 0.740 nan 8.310 nan 0.000 0.467 1129 A N 1.435 124.476 122.820 0.368 0.000 1.978 1129 A HA 0.082 4.411 4.320 0.015 0.000 0.220 1129 A C 2.202 179.896 177.584 0.183 0.000 1.170 1129 A CA 1.516 53.716 52.037 0.270 0.000 0.636 1129 A CB -0.659 18.486 19.000 0.242 0.000 0.810 1129 A HN 0.634 nan 8.150 nan 0.000 0.448 1130 I N -2.972 117.745 120.570 0.245 0.000 2.731 1130 I HA -0.006 4.173 4.170 0.015 0.000 0.260 1130 I C 2.136 178.541 176.117 0.480 0.000 1.138 1130 I CA 0.437 61.910 61.300 0.288 0.000 1.461 1130 I CB -0.131 38.030 38.000 0.269 0.000 1.128 1130 I HN 0.387 nan 8.210 nan 0.000 0.438 1131 F N 3.006 123.110 119.950 0.257 0.000 2.171 1131 F HA -0.232 4.303 4.527 0.014 0.000 0.300 1131 F C 2.667 178.530 175.800 0.106 0.000 1.090 1131 F CA 1.581 59.652 58.000 0.118 0.000 1.293 1131 F CB -0.140 38.856 39.000 -0.006 0.000 1.013 1131 F HN -0.026 nan 8.300 nan 0.000 0.486 1132 R N 0.051 120.724 120.500 0.287 0.000 2.316 1132 R HA -0.042 4.307 4.340 0.015 0.000 0.202 1132 R C 0.407 176.765 176.300 0.096 0.000 1.029 1132 R CA 0.475 56.671 56.100 0.160 0.000 1.018 1132 R CB -0.750 29.654 30.300 0.173 0.000 0.888 1132 R HN 0.213 nan 8.270 nan 0.000 0.471 1133 L N 2.783 124.111 121.223 0.174 0.000 2.650 1133 L HA 0.078 4.427 4.340 0.015 0.000 0.239 1133 L C 0.837 177.834 176.870 0.211 0.000 1.412 1133 L CA 0.506 55.434 54.840 0.146 0.000 1.219 1133 L CB 0.210 42.328 42.059 0.099 0.000 1.534 1133 L HN 0.044 nan 8.230 nan 0.000 0.430 1134 K N 0.450 120.920 120.400 0.116 0.000 2.077 1134 K HA -0.230 4.100 4.320 0.015 0.000 0.213 1134 K C 1.714 178.369 176.600 0.092 0.000 1.051 1134 K CA 1.603 57.941 56.287 0.086 0.000 0.929 1134 K CB -0.134 32.373 32.500 0.012 0.000 0.715 1134 K HN 0.412 nan 8.250 nan 0.000 0.451 1135 K N 0.235 120.660 120.400 0.042 0.000 2.147 1135 K HA -0.065 4.264 4.320 0.015 0.000 0.205 1135 K C 2.217 178.812 176.600 -0.008 0.000 1.049 1135 K CA 1.487 57.783 56.287 0.014 0.000 0.936 1135 K CB -0.153 32.344 32.500 -0.005 0.000 0.722 1135 K HN 0.181 nan 8.250 nan 0.000 0.446 1136 T N -0.015 114.515 114.554 -0.039 0.000 2.812 1136 T HA -0.124 4.236 4.350 0.015 0.000 0.264 1136 T C 1.314 175.889 174.700 -0.209 0.000 1.042 1136 T CA 1.015 63.022 62.100 -0.156 0.000 1.140 1136 T CB -0.226 68.489 68.868 -0.255 0.000 0.870 1136 T HN 0.372 nan 8.240 nan 0.000 0.445 1137 W N 1.385 122.642 121.300 -0.071 0.000 2.392 1137 W HA 0.113 4.782 4.660 0.015 0.000 0.279 1137 W C 1.887 178.369 176.519 -0.060 0.000 1.225 1137 W CA 0.146 57.445 57.345 -0.077 0.000 1.233 1137 W CB -0.585 28.795 29.460 -0.134 0.000 1.122 1137 W HN 0.211 nan 8.180 nan 0.000 0.561 1138 L N 0.132 121.426 121.223 0.118 0.000 2.083 1138 L HA -0.192 4.157 4.340 0.015 0.000 0.209 1138 L C 2.018 178.904 176.870 0.027 0.000 1.083 1138 L CA 1.344 56.223 54.840 0.064 0.000 0.752 1138 L CB -0.630 41.449 42.059 0.033 0.000 0.899 1138 L HN -0.090 nan 8.230 nan 0.000 0.433 1139 K N -0.406 119.986 120.400 -0.014 0.000 2.487 1139 K HA 0.114 4.443 4.320 0.015 0.000 0.192 1139 K C -0.015 176.553 176.600 -0.052 0.000 1.027 1139 K CA -0.076 56.187 56.287 -0.040 0.000 1.054 1139 K CB 0.389 32.850 32.500 -0.065 0.000 0.824 1139 K HN 0.059 nan 8.250 nan 0.000 0.510 1140 V N 2.619 122.509 119.914 -0.040 0.000 2.465 1140 V HA 0.012 4.141 4.120 0.015 0.000 0.279 1140 V C 0.483 176.595 176.094 0.031 0.000 1.045 1140 V CA -0.749 61.529 62.300 -0.038 0.000 0.938 1140 V CB 1.298 33.083 31.823 -0.064 0.000 0.986 1140 V HN 0.295 nan 8.190 nan 0.000 0.467 1141 S N 4.473 120.182 115.700 0.015 0.000 2.558 1141 S HA 0.009 4.488 4.470 0.015 0.000 0.287 1141 S C 1.120 175.752 174.600 0.053 0.000 1.321 1141 S CA 0.119 58.335 58.200 0.026 0.000 1.048 1141 S CB 0.309 63.516 63.200 0.012 0.000 0.844 1141 S HN 0.909 nan 8.310 nan 0.000 0.512 1142 K N 1.967 122.394 120.400 0.044 0.000 2.283 1142 K HA -0.160 4.169 4.320 0.015 0.000 0.202 1142 K C 1.676 178.305 176.600 0.048 0.000 1.048 1142 K CA 1.283 57.600 56.287 0.050 0.000 0.948 1142 K CB -0.276 32.245 32.500 0.035 0.000 0.742 1142 K HN 0.752 nan 8.250 nan 0.000 0.458 1143 Q N 0.743 120.566 119.800 0.039 0.000 2.123 1143 Q HA -0.059 4.290 4.340 0.015 0.000 0.199 1143 Q C 1.861 177.890 176.000 0.049 0.000 0.966 1143 Q CA 1.853 57.677 55.803 0.035 0.000 0.845 1143 Q CB -0.052 28.700 28.738 0.022 0.000 0.907 1143 Q HN 0.376 nan 8.270 nan 0.000 0.439 1144 T N 1.225 115.814 114.554 0.059 0.000 2.777 1144 T HA -0.098 4.261 4.350 0.015 0.000 0.266 1144 T C 1.601 176.376 174.700 0.126 0.000 1.040 1144 T CA 1.078 63.227 62.100 0.082 0.000 1.141 1144 T CB -0.039 68.874 68.868 0.074 0.000 0.868 1144 T HN 0.203 nan 8.240 nan 0.000 0.444 1145 K N 1.077 121.562 120.400 0.143 0.000 2.097 1145 K HA -0.047 4.282 4.320 0.015 0.000 0.206 1145 K C 2.709 179.367 176.600 0.098 0.000 1.049 1145 K CA 1.295 57.678 56.287 0.160 0.000 0.933 1145 K CB -0.234 32.351 32.500 0.141 0.000 0.717 1145 K HN 0.203 nan 8.250 nan 0.000 0.442 1146 S N 1.145 116.889 115.700 0.074 0.000 2.371 1146 S HA -0.102 4.378 4.470 0.015 0.000 0.224 1146 S C 1.949 176.583 174.600 0.057 0.000 1.029 1146 S CA 0.653 58.885 58.200 0.054 0.000 0.978 1146 S CB -0.146 63.079 63.200 0.042 0.000 0.833 1146 S HN 0.210 nan 8.310 nan 0.000 0.466 1147 L N 1.412 122.673 121.223 0.063 0.000 2.083 1147 L HA 0.083 4.432 4.340 0.015 0.000 0.209 1147 L C 2.157 179.071 176.870 0.074 0.000 1.083 1147 L CA 1.567 56.443 54.840 0.061 0.000 0.752 1147 L CB -0.895 41.198 42.059 0.057 0.000 0.899 1147 L HN 0.461 nan 8.230 nan 0.000 0.433 1148 L N -0.449 120.832 121.223 0.097 0.000 2.046 1148 L HA -0.203 4.146 4.340 0.015 0.000 0.208 1148 L C 2.143 179.061 176.870 0.081 0.000 1.077 1148 L CA 2.183 57.090 54.840 0.111 0.000 0.747 1148 L CB -0.897 41.260 42.059 0.162 0.000 0.896 1148 L HN 0.440 nan 8.230 nan 0.000 0.432 1149 D N -0.872 119.567 120.400 0.065 0.000 2.104 1149 D HA -0.217 4.432 4.640 0.015 0.000 0.194 1149 D C 1.997 178.323 176.300 0.043 0.000 0.994 1149 D CA 1.324 55.350 54.000 0.044 0.000 0.830 1149 D CB 0.112 40.933 40.800 0.034 0.000 0.959 1149 D HN 0.171 nan 8.370 nan 0.000 0.452 1150 K N 0.070 120.498 120.400 0.047 0.000 2.057 1150 K HA -0.072 4.257 4.320 0.015 0.000 0.207 1150 K C 2.418 179.053 176.600 0.058 0.000 1.049 1150 K CA 0.564 56.880 56.287 0.048 0.000 0.931 1150 K CB -0.682 31.846 32.500 0.046 0.000 0.714 1150 K HN 0.333 nan 8.250 nan 0.000 0.440 1151 L N 1.341 122.602 121.223 0.065 0.000 2.046 1151 L HA -0.222 4.127 4.340 0.015 0.000 0.208 1151 L C 2.618 179.534 176.870 0.077 0.000 1.077 1151 L CA 1.364 56.249 54.840 0.075 0.000 0.747 1151 L CB -0.476 41.629 42.059 0.077 0.000 0.896 1151 L HN 0.268 nan 8.230 nan 0.000 0.432 1152 Q N -0.085 119.753 119.800 0.064 0.000 2.119 1152 Q HA -0.197 4.152 4.340 0.015 0.000 0.201 1152 Q C 2.174 178.198 176.000 0.040 0.000 0.972 1152 Q CA 1.176 57.010 55.803 0.051 0.000 0.847 1152 Q CB -0.088 28.672 28.738 0.036 0.000 0.903 1152 Q HN 0.467 nan 8.270 nan 0.000 0.433 1153 K N 0.593 121.016 120.400 0.037 0.000 2.026 1153 K HA -0.160 4.169 4.320 0.015 0.000 0.208 1153 K C 2.093 178.719 176.600 0.045 0.000 1.048 1153 K CA 1.008 57.311 56.287 0.028 0.000 0.929 1153 K CB -0.240 32.276 32.500 0.026 0.000 0.713 1153 K HN 0.065 nan 8.250 nan 0.000 0.439 1154 L N 1.147 122.412 121.223 0.070 0.000 2.042 1154 L HA -0.136 4.213 4.340 0.015 0.000 0.210 1154 L C 1.700 178.639 176.870 0.114 0.000 1.076 1154 L CA 1.686 56.584 54.840 0.097 0.000 0.749 1154 L CB -0.319 41.823 42.059 0.139 0.000 0.893 1154 L HN 0.100 nan 8.230 nan 0.000 0.432 1155 V N -2.505 117.485 119.914 0.126 0.000 3.342 1155 V HA 0.278 4.407 4.120 0.015 0.000 0.322 1155 V C 0.990 177.184 176.094 0.166 0.000 1.370 1155 V CA 0.100 62.504 62.300 0.172 0.000 1.170 1155 V CB -1.175 30.742 31.823 0.158 0.000 1.101 1155 V HN 0.403 nan 8.190 nan 0.000 0.442 1156 S N 1.677 117.410 115.700 0.055 0.000 2.558 1156 S HA 0.100 4.580 4.470 0.015 0.000 0.288 1156 S C 1.588 176.017 174.600 -0.284 0.000 1.318 1156 S CA 0.500 58.657 58.200 -0.071 0.000 1.056 1156 S CB 1.036 64.192 63.200 -0.073 0.000 0.853 1156 S HN 1.038 nan 8.310 nan 0.000 0.505 1157 S N 2.764 118.135 115.700 -0.549 0.000 2.522 1157 S HA 0.018 4.497 4.470 0.015 0.000 0.227 1157 S C 0.113 174.311 174.600 -0.670 0.000 0.986 1157 S CA -0.115 57.367 58.200 -1.196 0.000 0.929 1157 S CB -0.424 62.219 63.200 -0.928 0.000 0.769 1157 S HN 0.780 nan 8.310 nan 0.000 0.529 1158 D N 2.403 122.590 120.400 -0.356 0.000 2.506 1158 D HA 0.335 4.984 4.640 0.015 0.000 0.234 1158 D C 1.249 177.438 176.300 -0.185 0.000 1.143 1158 D CA 1.478 55.347 54.000 -0.219 0.000 0.871 1158 D CB 0.045 40.762 40.800 -0.138 0.000 1.190 1158 D HN 0.438 nan 8.370 nan 0.000 0.459 1159 G N 2.821 111.537 108.800 -0.140 0.000 2.273 1159 G HA2 -0.406 3.563 3.960 0.015 0.000 0.280 1159 G HA3 -0.406 3.563 3.960 0.015 0.000 0.280 1159 G C 0.297 175.138 174.900 -0.099 0.000 1.047 1159 G CA 0.367 45.407 45.100 -0.100 0.000 0.869 1159 G HN 0.646 nan 8.290 nan 0.000 0.502 1160 R N -2.419 117.998 120.500 -0.138 0.000 3.267 1160 R HA -0.210 4.139 4.340 0.015 0.000 0.254 1160 R C 0.625 176.980 176.300 0.092 0.000 0.993 1160 R CA 1.078 57.146 56.100 -0.054 0.000 0.670 1160 R CB -2.439 27.834 30.300 -0.046 0.000 1.125 1160 R HN 1.311 nan 8.270 nan 0.000 0.434 1161 F N -1.395 118.518 119.950 -0.061 0.000 3.039 1161 F HA -0.317 4.217 4.527 0.013 0.000 0.287 1161 F C 1.802 177.553 175.800 -0.081 0.000 0.956 1161 F CA 1.649 59.609 58.000 -0.066 0.000 0.971 1161 F CB -1.232 37.730 39.000 -0.063 0.000 0.943 1161 F HN 0.395 nan 8.300 nan 0.000 0.766 1162 K N 0.768 121.184 120.400 0.027 0.000 2.020 1162 K HA -0.270 4.059 4.320 0.015 0.000 0.212 1162 K C 1.838 178.442 176.600 0.007 0.000 1.050 1162 K CA 2.258 58.547 56.287 0.003 0.000 0.929 1162 K CB -0.096 32.390 32.500 -0.023 0.000 0.714 1162 K HN 0.432 nan 8.250 nan 0.000 0.443 1163 N N 0.974 119.681 118.700 0.013 0.000 2.166 1163 N HA -0.169 4.581 4.740 0.015 0.000 0.186 1163 N C 1.788 177.291 175.510 -0.011 0.000 1.019 1163 N CA 1.106 54.162 53.050 0.010 0.000 0.856 1163 N CB -0.397 38.104 38.487 0.024 0.000 0.993 1163 N HN 0.215 nan 8.380 nan 0.000 0.426 1164 L N 1.694 122.917 121.223 0.000 0.000 2.056 1164 L HA -0.019 4.331 4.340 0.015 0.000 0.207 1164 L C 2.382 179.132 176.870 -0.200 0.000 1.078 1164 L CA 1.514 56.282 54.840 -0.120 0.000 0.749 1164 L CB -0.567 41.472 42.059 -0.034 0.000 0.901 1164 L HN 0.016 nan 8.230 nan 0.000 0.433 1165 R N -0.612 119.828 120.500 -0.099 0.000 2.081 1165 R HA -0.234 4.115 4.340 0.015 0.000 0.235 1165 R C 2.259 178.512 176.300 -0.078 0.000 1.131 1165 R CA 1.683 57.717 56.100 -0.109 0.000 0.960 1165 R CB -0.227 30.035 30.300 -0.063 0.000 0.856 1165 R HN 0.468 nan 8.270 nan 0.000 0.436 1166 E N 0.127 120.296 120.200 -0.052 0.000 2.077 1166 E HA -0.139 4.220 4.350 0.015 0.000 0.193 1166 E C 1.826 178.404 176.600 -0.036 0.000 0.989 1166 E CA 1.792 58.176 56.400 -0.026 0.000 0.800 1166 E CB -0.342 29.352 29.700 -0.009 0.000 0.746 1166 E HN 0.221 nan 8.360 nan 0.000 0.452 1167 S N -0.952 114.700 115.700 -0.080 0.000 2.402 1167 S HA -0.022 4.457 4.470 0.015 0.000 0.229 1167 S C 1.795 176.323 174.600 -0.120 0.000 1.021 1167 S CA 0.904 59.056 58.200 -0.079 0.000 0.974 1167 S CB -0.206 62.919 63.200 -0.125 0.000 0.800 1167 S HN 0.355 nan 8.310 nan 0.000 0.484 1168 L N 0.640 121.743 121.223 -0.200 0.000 2.240 1168 L HA 0.117 4.467 4.340 0.015 0.000 0.211 1168 L C 2.679 179.600 176.870 0.084 0.000 1.106 1168 L CA 0.695 55.474 54.840 -0.102 0.000 0.793 1168 L CB -0.350 41.637 42.059 -0.120 0.000 0.927 1168 L HN 0.284 nan 8.230 nan 0.000 0.446 1169 R N 0.799 121.324 120.500 0.041 0.000 2.081 1169 R HA -0.109 4.241 4.340 0.015 0.000 0.235 1169 R C 0.669 177.006 176.300 0.063 0.000 1.131 1169 R CA 1.348 57.484 56.100 0.061 0.000 0.960 1169 R CB 0.059 30.379 30.300 0.033 0.000 0.856 1169 R HN 0.373 nan 8.270 nan 0.000 0.436 1170 N N -0.066 118.662 118.700 0.046 0.000 2.714 1170 N HA 0.062 4.811 4.740 0.015 0.000 0.298 1170 N C -1.175 174.354 175.510 0.032 0.000 1.298 1170 N CA 0.006 53.080 53.050 0.041 0.000 1.007 1170 N CB 0.602 39.111 38.487 0.038 0.000 1.318 1170 N HN 0.111 nan 8.380 nan 0.000 0.516 1171 C N 0.821 120.153 119.300 0.053 0.000 2.441 1171 C HA 0.340 4.809 4.460 0.015 0.000 0.318 1171 C C -0.893 174.130 174.990 0.055 0.000 1.222 1171 C CA -0.742 58.265 59.018 -0.017 0.000 1.474 1171 C CB 0.604 28.317 27.740 -0.045 0.000 2.125 1171 C HN 0.380 nan 8.230 nan 0.000 0.479 1172 D N 7.378 127.746 120.400 -0.053 0.000 2.232 1172 D HA 0.328 4.978 4.640 0.015 0.000 0.242 1172 D C -1.965 174.343 176.300 0.012 0.000 1.093 1172 D CA -0.497 53.513 54.000 0.017 0.000 0.845 1172 D CB 1.759 42.559 40.800 0.000 0.000 1.124 1172 D HN 0.506 nan 8.370 nan 0.000 0.467 1173 P HA 0.103 nan 4.420 nan 0.000 0.271 1173 P C -2.400 174.861 177.300 -0.066 0.000 1.244 1173 P CA -0.915 62.226 63.100 0.069 0.000 0.793 1173 P CB -0.492 31.315 31.700 0.178 0.000 0.984 1174 P HA 0.065 nan 4.420 nan 0.000 0.269 1174 P C -0.463 176.624 177.300 -0.354 0.000 1.209 1174 P CA 0.182 62.958 63.100 -0.540 0.000 0.776 1174 P CB 0.403 31.312 31.700 -1.317 0.000 0.876 1175 C N 2.273 121.490 119.300 -0.138 0.000 3.241 1175 C HA 0.478 4.947 4.460 0.015 0.000 0.348 1175 C C -1.485 173.589 174.990 0.139 0.000 1.180 1175 C CA -0.363 58.675 59.018 0.033 0.000 1.273 1175 C CB 1.161 28.725 27.740 -0.293 0.000 1.620 1175 C HN 0.369 nan 8.230 nan 0.000 0.510 1176 V N 6.391 126.368 119.914 0.105 0.000 2.357 1176 V HA 0.492 4.621 4.120 0.015 0.000 0.281 1176 V C -1.945 174.046 176.094 -0.171 0.000 1.015 1176 V CA -0.818 61.438 62.300 -0.075 0.000 0.827 1176 V CB 1.394 33.265 31.823 0.079 0.000 1.018 1176 V HN 0.859 nan 8.190 nan 0.000 0.432 1177 P HA 0.158 nan 4.420 nan 0.000 0.277 1177 P C -1.156 176.082 177.300 -0.103 0.000 1.271 1177 P CA -0.477 62.524 63.100 -0.166 0.000 0.795 1177 P CB 1.066 32.724 31.700 -0.070 0.000 1.101 1178 Y N 1.117 121.319 120.300 -0.163 0.000 2.404 1178 Y HA 0.149 4.708 4.550 0.015 0.000 0.344 1178 Y C 1.171 176.965 175.900 -0.177 0.000 0.995 1178 Y CA -0.533 57.468 58.100 -0.164 0.000 1.201 1178 Y CB 0.203 38.486 38.460 -0.294 0.000 1.151 1178 Y HN 0.161 nan 8.280 nan 0.000 0.517 1179 L N 6.010 126.925 121.223 -0.512 0.000 2.141 1179 L HA 0.051 4.400 4.340 0.015 0.000 0.209 1179 L C 2.212 178.676 176.870 -0.677 0.000 1.094 1179 L CA 2.246 56.863 54.840 -0.372 0.000 0.763 1179 L CB -0.907 41.075 42.059 -0.128 0.000 0.908 1179 L HN 0.964 nan 8.230 nan 0.000 0.437 1180 G N -0.641 107.317 108.800 -1.403 0.000 2.469 1180 G HA2 -0.381 3.589 3.960 0.015 0.000 0.220 1180 G HA3 -0.381 3.589 3.960 0.015 0.000 0.220 1180 G C 1.639 176.217 174.900 -0.538 0.000 1.136 1180 G CA 1.135 45.650 45.100 -0.974 0.000 0.759 1180 G HN 0.470 nan 8.290 nan 0.000 0.562 1181 M N -0.850 118.332 119.600 -0.697 0.000 2.086 1181 M HA -0.073 4.416 4.480 0.015 0.000 0.261 1181 M C 2.398 178.508 176.300 -0.317 0.000 1.067 1181 M CA 1.503 56.543 55.300 -0.435 0.000 1.116 1181 M CB -0.179 32.017 32.600 -0.673 0.000 1.348 1181 M HN 0.372 nan 8.290 nan 0.000 0.407 1182 Y N 0.470 120.628 120.300 -0.237 0.000 2.242 1182 Y HA -0.176 4.384 4.550 0.016 0.000 0.291 1182 Y C 2.210 178.029 175.900 -0.135 0.000 1.137 1182 Y CA 1.146 59.138 58.100 -0.179 0.000 1.181 1182 Y CB -0.298 38.010 38.460 -0.254 0.000 0.989 1182 Y HN 0.226 nan 8.280 nan 0.000 0.527 1183 L N -0.865 120.313 121.223 -0.076 0.000 2.012 1183 L HA -0.251 4.098 4.340 0.015 0.000 0.210 1183 L C 2.312 179.348 176.870 0.277 0.000 1.073 1183 L CA 1.729 56.513 54.840 -0.094 0.000 0.748 1183 L CB -1.056 40.731 42.059 -0.455 0.000 0.891 1183 L HN 0.219 nan 8.230 nan 0.000 0.431 1184 T N -0.847 113.810 114.554 0.172 0.000 2.746 1184 T HA -0.175 4.184 4.350 0.015 0.000 0.267 1184 T C 1.456 176.301 174.700 0.241 0.000 1.039 1184 T CA 1.514 63.750 62.100 0.227 0.000 1.142 1184 T CB -0.268 68.702 68.868 0.170 0.000 0.866 1184 T HN 0.325 nan 8.240 nan 0.000 0.444 1185 D N 1.130 121.632 120.400 0.170 0.000 2.149 1185 D HA -0.030 4.619 4.640 0.015 0.000 0.198 1185 D C 2.102 178.574 176.300 0.287 0.000 0.990 1185 D CA 0.776 54.883 54.000 0.179 0.000 0.839 1185 D CB -0.379 40.495 40.800 0.122 0.000 0.948 1185 D HN 0.326 nan 8.370 nan 0.000 0.460 1186 L N 0.208 121.622 121.223 0.318 0.000 2.056 1186 L HA -0.118 4.231 4.340 0.015 0.000 0.207 1186 L C 2.555 179.633 176.870 0.346 0.000 1.078 1186 L CA 0.452 55.515 54.840 0.371 0.000 0.749 1186 L CB -0.260 42.118 42.059 0.532 0.000 0.901 1186 L HN -0.075 nan 8.230 nan 0.000 0.433 1187 V N -0.516 119.627 119.914 0.381 0.000 2.343 1187 V HA -0.324 3.805 4.120 0.015 0.000 0.247 1187 V C 2.275 178.492 176.094 0.205 0.000 1.051 1187 V CA 1.910 64.353 62.300 0.238 0.000 1.036 1187 V CB -0.585 31.390 31.823 0.253 0.000 0.654 1187 V HN 0.293 nan 8.190 nan 0.000 0.451 1188 F N 0.250 120.268 119.950 0.113 0.000 2.091 1188 F HA -0.220 4.318 4.527 0.018 0.000 0.299 1188 F C 2.128 177.968 175.800 0.066 0.000 1.103 1188 F CA 1.808 59.856 58.000 0.080 0.000 1.228 1188 F CB -0.188 38.862 39.000 0.083 0.000 0.984 1188 F HN 0.051 nan 8.300 nan 0.000 0.477 1189 I N -0.433 120.264 120.570 0.212 0.000 2.286 1189 I HA -0.219 3.961 4.170 0.015 0.000 0.245 1189 I C 2.318 178.446 176.117 0.018 0.000 1.104 1189 I CA 0.961 62.323 61.300 0.103 0.000 1.397 1189 I CB -0.460 37.635 38.000 0.158 0.000 1.072 1189 I HN 0.089 nan 8.210 nan 0.000 0.417 1190 E N 0.881 121.105 120.200 0.040 0.000 2.051 1190 E HA -0.213 4.146 4.350 0.015 0.000 0.192 1190 E C 2.036 178.603 176.600 -0.057 0.000 0.991 1190 E CA 1.197 57.591 56.400 -0.009 0.000 0.799 1190 E CB -0.241 29.452 29.700 -0.011 0.000 0.748 1190 E HN 0.494 nan 8.360 nan 0.000 0.449 1191 E N -0.292 119.862 120.200 -0.076 0.000 2.204 1191 E HA -0.077 4.282 4.350 0.015 0.000 0.194 1191 E C 1.949 178.460 176.600 -0.149 0.000 0.989 1191 E CA 0.985 57.320 56.400 -0.108 0.000 0.824 1191 E CB -0.161 29.471 29.700 -0.114 0.000 0.756 1191 E HN 0.281 nan 8.360 nan 0.000 0.477 1192 G N 0.524 109.200 108.800 -0.206 0.000 2.939 1192 G HA2 0.005 3.974 3.960 0.015 0.000 0.210 1192 G HA3 0.005 3.974 3.960 0.015 0.000 0.210 1192 G C 0.362 175.188 174.900 -0.124 0.000 1.160 1192 G CA 0.129 45.101 45.100 -0.214 0.000 0.770 1192 G HN 0.049 nan 8.290 nan 0.000 0.543 1193 T N 1.729 116.228 114.554 -0.091 0.000 2.912 1193 T HA 0.510 4.870 4.350 0.015 0.000 0.299 1193 T C -3.006 171.653 174.700 -0.068 0.000 1.052 1193 T CA -1.015 61.045 62.100 -0.067 0.000 0.996 1193 T CB 3.230 72.067 68.868 -0.051 0.000 1.070 1193 T HN -0.122 nan 8.240 nan 0.000 0.465 1194 P HA 0.333 nan 4.420 nan 0.000 0.284 1194 P C 0.274 177.504 177.300 -0.117 0.000 1.253 1194 P CA -0.460 62.605 63.100 -0.059 0.000 0.800 1194 P CB 1.038 32.723 31.700 -0.025 0.000 0.961 1195 N N 1.118 119.722 118.700 -0.160 0.000 2.166 1195 N HA -0.108 4.641 4.740 0.015 0.000 0.186 1195 N C 0.255 175.414 175.510 -0.586 0.000 1.019 1195 N CA 1.436 54.247 53.050 -0.398 0.000 0.856 1195 N CB -0.426 37.755 38.487 -0.510 0.000 0.993 1195 N HN 0.540 nan 8.380 nan 0.000 0.426 1196 Y N -0.609 119.622 120.300 -0.115 0.000 2.549 1196 Y HA 0.295 4.855 4.550 0.016 0.000 0.339 1196 Y C 1.067 176.911 175.900 -0.094 0.000 1.053 1196 Y CA -1.199 56.828 58.100 -0.122 0.000 1.105 1196 Y CB 0.982 39.384 38.460 -0.097 0.000 1.258 1196 Y HN -0.200 nan 8.280 nan 0.000 0.478 1197 T N -2.971 111.625 114.554 0.070 0.000 2.788 1197 T HA 0.131 4.490 4.350 0.015 0.000 0.280 1197 T C 1.057 175.781 174.700 0.040 0.000 0.984 1197 T CA -0.398 61.720 62.100 0.029 0.000 0.972 1197 T CB 1.042 69.920 68.868 0.016 0.000 1.039 1197 T HN 0.866 nan 8.240 nan 0.000 0.530 1198 E N -0.002 120.210 120.200 0.020 0.000 2.209 1198 E HA -0.193 4.166 4.350 0.015 0.000 0.196 1198 E C 0.907 177.511 176.600 0.007 0.000 0.993 1198 E CA 1.485 57.891 56.400 0.011 0.000 0.819 1198 E CB -0.173 29.530 29.700 0.005 0.000 0.745 1198 E HN 0.664 nan 8.360 nan 0.000 0.477 1199 D N -1.118 119.290 120.400 0.013 0.000 2.349 1199 D HA 0.037 4.686 4.640 0.015 0.000 0.224 1199 D C 1.141 177.442 176.300 0.001 0.000 1.029 1199 D CA 0.861 54.866 54.000 0.008 0.000 0.879 1199 D CB 0.655 41.466 40.800 0.018 0.000 0.906 1199 D HN 0.389 nan 8.370 nan 0.000 0.528 1200 G N 0.994 109.798 108.800 0.007 0.000 2.141 1200 G HA2 -0.263 3.706 3.960 0.015 0.000 0.242 1200 G HA3 -0.263 3.706 3.960 0.015 0.000 0.242 1200 G C 0.221 175.147 174.900 0.042 0.000 0.982 1200 G CA -0.135 44.947 45.100 -0.030 0.000 0.662 1200 G HN 0.307 nan 8.290 nan 0.000 0.527 1201 L N 0.500 121.775 121.223 0.087 0.000 2.399 1201 L HA 0.550 4.899 4.340 0.015 0.000 0.265 1201 L C 1.296 178.205 176.870 0.064 0.000 1.089 1201 L CA -1.239 53.658 54.840 0.094 0.000 0.802 1201 L CB 1.359 43.461 42.059 0.070 0.000 1.180 1201 L HN -0.081 nan 8.230 nan 0.000 0.454 1202 V N 1.544 121.389 119.914 -0.116 0.000 2.599 1202 V HA -0.129 4.000 4.120 0.015 0.000 0.300 1202 V C 0.721 176.368 176.094 -0.745 0.000 1.034 1202 V CA 0.129 62.107 62.300 -0.537 0.000 1.115 1202 V CB 0.466 31.805 31.823 -0.806 0.000 0.934 1202 V HN 0.765 nan 8.190 nan 0.000 0.485 1203 N N 3.833 122.198 118.700 -0.558 0.000 2.605 1203 N HA 0.162 4.911 4.740 0.015 0.000 0.258 1203 N C 0.744 176.023 175.510 -0.386 0.000 1.156 1203 N CA -0.363 52.472 53.050 -0.359 0.000 1.008 1203 N CB 0.032 38.388 38.487 -0.219 0.000 1.354 1203 N HN 0.603 nan 8.380 nan 0.000 0.509 1204 F N 1.175 121.089 119.950 -0.060 0.000 2.250 1204 F HA -0.207 4.329 4.527 0.015 0.000 0.301 1204 F C 2.756 178.529 175.800 -0.045 0.000 1.077 1204 F CA 0.558 58.524 58.000 -0.056 0.000 1.348 1204 F CB -0.252 38.726 39.000 -0.038 0.000 1.040 1204 F HN 0.485 nan 8.300 nan 0.000 0.509 1205 S N 0.453 116.208 115.700 0.093 0.000 2.370 1205 S HA -0.291 4.188 4.470 0.015 0.000 0.226 1205 S C 2.218 176.829 174.600 0.018 0.000 1.033 1205 S CA 1.826 60.056 58.200 0.051 0.000 1.011 1205 S CB -0.357 62.859 63.200 0.028 0.000 0.852 1205 S HN 0.458 nan 8.310 nan 0.000 0.457 1206 K N -0.341 120.043 120.400 -0.027 0.000 2.148 1206 K HA -0.022 4.307 4.320 0.015 0.000 0.204 1206 K C 2.199 178.783 176.600 -0.028 0.000 1.050 1206 K CA 1.241 57.505 56.287 -0.037 0.000 0.942 1206 K CB -0.165 32.281 32.500 -0.090 0.000 0.724 1206 K HN 0.331 nan 8.250 nan 0.000 0.446 1207 M N 0.826 120.397 119.600 -0.049 0.000 2.117 1207 M HA -0.133 4.356 4.480 0.015 0.000 0.262 1207 M C 1.984 178.305 176.300 0.035 0.000 1.065 1207 M CA 1.603 56.880 55.300 -0.038 0.000 1.114 1207 M CB -0.910 31.680 32.600 -0.017 0.000 1.361 1207 M HN 0.166 nan 8.290 nan 0.000 0.408 1208 R N -0.469 120.066 120.500 0.058 0.000 2.092 1208 R HA -0.016 4.333 4.340 0.015 0.000 0.231 1208 R C 2.277 178.627 176.300 0.082 0.000 1.119 1208 R CA 1.197 57.337 56.100 0.067 0.000 0.970 1208 R CB -0.313 30.016 30.300 0.049 0.000 0.864 1208 R HN 0.372 nan 8.270 nan 0.000 0.440 1209 M N 0.303 119.945 119.600 0.071 0.000 2.080 1209 M HA -0.186 4.303 4.480 0.015 0.000 0.260 1209 M C 2.260 178.646 176.300 0.143 0.000 1.068 1209 M CA 1.783 57.141 55.300 0.097 0.000 1.109 1209 M CB -0.314 32.333 32.600 0.078 0.000 1.342 1209 M HN 0.110 nan 8.290 nan 0.000 0.405 1210 I N -0.695 119.953 120.570 0.130 0.000 2.226 1210 I HA -0.258 3.921 4.170 0.015 0.000 0.245 1210 I C 2.473 178.700 176.117 0.182 0.000 1.100 1210 I CA 1.053 62.459 61.300 0.176 0.000 1.374 1210 I CB -0.362 37.755 38.000 0.195 0.000 1.057 1210 I HN 0.220 nan 8.210 nan 0.000 0.413 1211 S N -0.460 115.338 115.700 0.164 0.000 2.368 1211 S HA -0.275 4.204 4.470 0.015 0.000 0.225 1211 S C 2.003 176.643 174.600 0.066 0.000 1.030 1211 S CA 1.496 59.770 58.200 0.123 0.000 0.999 1211 S CB -0.461 62.798 63.200 0.098 0.000 0.844 1211 S HN 0.502 nan 8.310 nan 0.000 0.459 1212 H N 1.446 120.517 119.070 0.002 0.000 2.353 1212 H HA -0.046 4.518 4.556 0.015 0.000 0.298 1212 H C 1.772 177.072 175.328 -0.046 0.000 1.103 1212 H CA 1.900 57.935 56.048 -0.022 0.000 1.293 1212 H CB -0.406 29.358 29.762 0.003 0.000 1.372 1212 H HN 0.380 nan 8.280 nan 0.000 0.501 1213 I N -0.396 120.148 120.570 -0.043 0.000 2.286 1213 I HA -0.209 3.970 4.170 0.015 0.000 0.245 1213 I C 2.250 178.189 176.117 -0.298 0.000 1.104 1213 I CA 1.082 62.303 61.300 -0.132 0.000 1.397 1213 I CB -0.184 37.827 38.000 0.018 0.000 1.072 1213 I HN 0.268 nan 8.210 nan 0.000 0.417 1214 I N 0.440 120.872 120.570 -0.230 0.000 2.361 1214 I HA -0.264 3.916 4.170 0.015 0.000 0.251 1214 I C 2.668 178.578 176.117 -0.344 0.000 1.133 1214 I CA 1.241 62.343 61.300 -0.331 0.000 1.413 1214 I CB -0.396 37.521 38.000 -0.138 0.000 1.073 1214 I HN 0.185 nan 8.210 nan 0.000 0.424 1215 R N 0.771 121.098 120.500 -0.288 0.000 2.081 1215 R HA -0.165 4.184 4.340 0.015 0.000 0.235 1215 R C 2.165 178.248 176.300 -0.362 0.000 1.131 1215 R CA 1.447 57.373 56.100 -0.289 0.000 0.960 1215 R CB -0.227 29.939 30.300 -0.223 0.000 0.856 1215 R HN 0.465 nan 8.270 nan 0.000 0.436 1216 E N 0.537 120.475 120.200 -0.436 0.000 2.077 1216 E HA -0.189 4.170 4.350 0.015 0.000 0.193 1216 E C 2.058 178.311 176.600 -0.578 0.000 0.989 1216 E CA 1.147 57.237 56.400 -0.516 0.000 0.800 1216 E CB -0.159 29.297 29.700 -0.406 0.000 0.746 1216 E HN 0.345 nan 8.360 nan 0.000 0.452 1217 I N 1.061 121.289 120.570 -0.570 0.000 2.163 1217 I HA -0.302 3.877 4.170 0.015 0.000 0.243 1217 I C 2.542 178.532 176.117 -0.211 0.000 1.085 1217 I CA 1.299 62.337 61.300 -0.437 0.000 1.347 1217 I CB -0.344 37.225 38.000 -0.719 0.000 1.044 1217 I HN 0.058 nan 8.210 nan 0.000 0.408 1218 R N 0.325 120.666 120.500 -0.265 0.000 2.096 1218 R HA -0.235 4.114 4.340 0.015 0.000 0.235 1218 R C 2.278 178.494 176.300 -0.139 0.000 1.127 1218 R CA 1.435 57.425 56.100 -0.182 0.000 0.968 1218 R CB -0.457 29.732 30.300 -0.186 0.000 0.861 1218 R HN 0.517 nan 8.270 nan 0.000 0.440 1219 Q N 0.561 120.222 119.800 -0.232 0.000 2.061 1219 Q HA -0.175 4.175 4.340 0.015 0.000 0.204 1219 Q C 1.701 177.673 176.000 -0.047 0.000 0.984 1219 Q CA 1.671 57.337 55.803 -0.228 0.000 0.846 1219 Q CB -0.108 28.364 28.738 -0.443 0.000 0.902 1219 Q HN 0.396 nan 8.270 nan 0.000 0.421 1220 F N 0.301 120.308 119.950 0.096 0.000 2.325 1220 F HA -0.106 4.430 4.527 0.015 0.000 0.299 1220 F C 2.435 178.501 175.800 0.443 0.000 1.090 1220 F CA 0.457 58.614 58.000 0.261 0.000 1.392 1220 F CB 0.153 39.345 39.000 0.319 0.000 1.053 1220 F HN 0.188 nan 8.300 nan 0.000 0.521 1221 Q N 0.015 120.030 119.800 0.358 0.000 2.187 1221 Q HA -0.172 4.178 4.340 0.015 0.000 0.199 1221 Q C 2.025 178.127 176.000 0.171 0.000 0.957 1221 Q CA 0.971 56.801 55.803 0.044 0.000 0.857 1221 Q CB -0.126 28.407 28.738 -0.342 0.000 0.929 1221 Q HN 0.542 nan 8.270 nan 0.000 0.453 1222 Q N -0.064 119.810 119.800 0.124 0.000 2.123 1222 Q HA -0.013 4.337 4.340 0.015 0.000 0.199 1222 Q C 0.215 176.275 176.000 0.100 0.000 0.966 1222 Q CA 0.753 56.607 55.803 0.084 0.000 0.845 1222 Q CB 0.330 29.079 28.738 0.019 0.000 0.907 1222 Q HN 0.152 nan 8.270 nan 0.000 0.439 1223 T N 2.020 116.636 114.554 0.104 0.000 2.794 1223 T HA 0.190 4.550 4.350 0.015 0.000 0.296 1223 T C 0.111 174.758 174.700 -0.089 0.000 0.949 1223 T CA -0.310 61.796 62.100 0.009 0.000 1.101 1223 T CB 0.985 69.843 68.868 -0.016 0.000 0.905 1223 T HN 0.248 nan 8.240 nan 0.000 0.516 1224 T N 0.912 115.395 114.554 -0.118 0.000 2.944 1224 T HA 0.560 4.919 4.350 0.015 0.000 0.284 1224 T C -0.430 174.125 174.700 -0.242 0.000 1.010 1224 T CA -0.855 61.117 62.100 -0.213 0.000 1.025 1224 T CB 0.534 69.394 68.868 -0.013 0.000 1.079 1224 T HN 0.403 nan 8.240 nan 0.000 0.516 1225 Y N 0.558 120.734 120.300 -0.206 0.000 2.309 1225 Y HA 0.301 4.860 4.550 0.014 0.000 0.327 1225 Y C 1.300 177.171 175.900 -0.049 0.000 1.172 1225 Y CA -0.392 57.644 58.100 -0.106 0.000 1.280 1225 Y CB 0.927 39.331 38.460 -0.093 0.000 1.234 1225 Y HN 0.507 nan 8.280 nan 0.000 0.512 1226 K N 4.960 125.429 120.400 0.115 0.000 2.518 1226 K HA 0.341 4.670 4.320 0.015 0.000 0.244 1226 K C -1.051 175.597 176.600 0.080 0.000 1.232 1226 K CA 0.180 56.510 56.287 0.071 0.000 1.189 1226 K CB -0.276 32.248 32.500 0.040 0.000 1.737 1226 K HN 0.515 nan 8.250 nan 0.000 0.333 1227 I N 0.918 121.539 120.570 0.086 0.000 2.466 1227 I HA 0.166 4.346 4.170 0.015 0.000 0.289 1227 I C -0.329 175.813 176.117 0.041 0.000 1.026 1227 I CA -0.988 60.345 61.300 0.055 0.000 1.078 1227 I CB 2.025 40.048 38.000 0.038 0.000 1.249 1227 I HN 0.185 nan 8.210 nan 0.000 0.429 1228 D N 7.735 128.153 120.400 0.029 0.000 2.345 1228 D HA 0.252 4.901 4.640 0.015 0.000 0.247 1228 D C -2.186 174.128 176.300 0.024 0.000 1.108 1228 D CA -0.889 53.126 54.000 0.026 0.000 0.894 1228 D CB 1.075 41.888 40.800 0.021 0.000 1.203 1228 D HN 0.222 nan 8.370 nan 0.000 0.430 1229 P HA 0.095 nan 4.420 nan 0.000 0.274 1229 P C -0.718 176.596 177.300 0.025 0.000 1.237 1229 P CA -0.412 62.703 63.100 0.026 0.000 0.793 1229 P CB 0.948 32.665 31.700 0.029 0.000 0.977 1230 Q N 1.744 121.561 119.800 0.028 0.000 2.616 1230 Q HA 0.204 4.553 4.340 0.015 0.000 0.250 1230 Q C -1.763 174.262 176.000 0.041 0.000 0.991 1230 Q CA -1.765 54.056 55.803 0.030 0.000 0.707 1230 Q CB 1.815 30.569 28.738 0.027 0.000 1.247 1230 Q HN 0.362 nan 8.270 nan 0.000 0.491 1231 P HA -0.246 nan 4.420 nan 0.000 0.218 1231 P C 0.831 178.169 177.300 0.062 0.000 1.154 1231 P CA 1.473 64.600 63.100 0.046 0.000 0.872 1231 P CB 0.549 32.271 31.700 0.037 0.000 0.790 1232 K N -0.503 119.932 120.400 0.059 0.000 2.057 1232 K HA -0.057 4.273 4.320 0.015 0.000 0.207 1232 K C 2.194 178.865 176.600 0.118 0.000 1.049 1232 K CA 1.219 57.551 56.287 0.075 0.000 0.931 1232 K CB -0.563 31.965 32.500 0.047 0.000 0.714 1232 K HN 0.028 nan 8.250 nan 0.000 0.440 1233 V N 1.744 121.722 119.914 0.107 0.000 2.358 1233 V HA -0.220 3.910 4.120 0.015 0.000 0.246 1233 V C 2.157 178.370 176.094 0.199 0.000 1.047 1233 V CA 1.510 63.911 62.300 0.168 0.000 1.035 1233 V CB -0.402 31.486 31.823 0.108 0.000 0.658 1233 V HN 0.266 nan 8.190 nan 0.000 0.452 1234 I N -0.120 120.519 120.570 0.116 0.000 2.208 1234 I HA -0.327 3.853 4.170 0.015 0.000 0.245 1234 I C 2.680 178.850 176.117 0.087 0.000 1.097 1234 I CA 1.908 63.255 61.300 0.078 0.000 1.363 1234 I CB -0.443 37.589 38.000 0.054 0.000 1.051 1234 I HN 0.389 nan 8.210 nan 0.000 0.413 1235 Q N 0.433 120.303 119.800 0.117 0.000 2.096 1235 Q HA -0.290 4.059 4.340 0.015 0.000 0.204 1235 Q C 2.364 178.482 176.000 0.196 0.000 0.982 1235 Q CA 2.129 58.010 55.803 0.130 0.000 0.850 1235 Q CB -0.299 28.515 28.738 0.127 0.000 0.901 1235 Q HN 0.578 nan 8.270 nan 0.000 0.422 1236 Y N 0.841 121.220 120.300 0.131 0.000 2.145 1236 Y HA -0.212 4.347 4.550 0.015 0.000 0.286 1236 Y C 1.695 177.758 175.900 0.271 0.000 1.145 1236 Y CA 1.699 59.933 58.100 0.224 0.000 1.148 1236 Y CB -0.432 38.145 38.460 0.196 0.000 0.981 1236 Y HN 0.108 nan 8.280 nan 0.000 0.507 1237 L N -0.216 120.859 121.223 -0.248 0.000 2.141 1237 L HA -0.162 4.188 4.340 0.015 0.000 0.209 1237 L C 2.061 178.703 176.870 -0.380 0.000 1.094 1237 L CA 0.909 55.361 54.840 -0.647 0.000 0.763 1237 L CB -0.425 41.430 42.059 -0.339 0.000 0.908 1237 L HN 0.279 nan 8.230 nan 0.000 0.437 1238 L N -0.864 120.320 121.223 -0.066 0.000 2.592 1238 L HA 0.066 4.415 4.340 0.015 0.000 0.227 1238 L C 0.440 177.366 176.870 0.094 0.000 1.127 1238 L CA -0.315 54.536 54.840 0.019 0.000 0.884 1238 L CB -0.306 41.747 42.059 -0.010 0.000 1.065 1238 L HN 0.135 nan 8.230 nan 0.000 0.457 1239 D N 1.105 121.605 120.400 0.166 0.000 2.424 1239 D HA -0.021 4.628 4.640 0.015 0.000 0.244 1239 D C 0.644 176.981 176.300 0.061 0.000 1.134 1239 D CA 0.578 54.667 54.000 0.148 0.000 0.881 1239 D CB 0.998 41.938 40.800 0.234 0.000 1.191 1239 D HN 0.164 nan 8.370 nan 0.000 0.445 1240 E N 0.819 121.003 120.200 -0.027 0.000 2.601 1240 E HA -0.012 4.347 4.350 0.015 0.000 0.219 1240 E C 1.639 178.122 176.600 -0.194 0.000 0.964 1240 E CA 0.026 56.358 56.400 -0.114 0.000 1.050 1240 E CB 0.338 30.037 29.700 -0.002 0.000 1.068 1240 E HN 0.527 nan 8.360 nan 0.000 0.496 1241 S N 1.302 116.931 115.700 -0.118 0.000 2.402 1241 S HA -0.218 4.262 4.470 0.015 0.000 0.233 1241 S C 1.642 176.251 174.600 0.014 0.000 1.030 1241 S CA 1.253 59.443 58.200 -0.017 0.000 1.003 1241 S CB -0.615 62.634 63.200 0.081 0.000 0.813 1241 S HN 0.462 nan 8.310 nan 0.000 0.477 1242 F N -0.260 119.672 119.950 -0.031 0.000 2.653 1242 F HA 0.591 5.127 4.527 0.015 0.000 0.304 1242 F C 0.420 176.168 175.800 -0.087 0.000 1.092 1242 F CA -1.515 56.446 58.000 -0.065 0.000 1.279 1242 F CB -0.400 38.543 39.000 -0.096 0.000 1.044 1242 F HN -0.059 nan 8.300 nan 0.000 0.564 1243 M N 2.806 122.253 119.600 -0.255 0.000 2.251 1243 M HA 0.147 4.636 4.480 0.015 0.000 0.343 1243 M C -0.524 175.765 176.300 -0.019 0.000 1.245 1243 M CA 0.616 55.818 55.300 -0.163 0.000 1.061 1243 M CB 0.506 33.010 32.600 -0.160 0.000 1.723 1243 M HN 0.240 nan 8.290 nan 0.000 0.449 1244 L N 3.133 124.360 121.223 0.007 0.000 2.362 1244 L HA 0.335 4.684 4.340 0.015 0.000 0.275 1244 L C -0.048 176.835 176.870 0.021 0.000 0.998 1244 L CA -1.180 53.675 54.840 0.027 0.000 0.820 1244 L CB 1.967 44.052 42.059 0.043 0.000 1.270 1244 L HN 0.658 nan 8.230 nan 0.000 0.415 1245 D N 0.444 120.860 120.400 0.026 0.000 2.384 1245 D HA -0.039 4.610 4.640 0.015 0.000 0.244 1245 D C 0.981 177.308 176.300 0.044 0.000 1.251 1245 D CA -0.471 53.547 54.000 0.031 0.000 0.961 1245 D CB 0.703 41.521 40.800 0.030 0.000 1.116 1245 D HN 0.672 nan 8.370 nan 0.000 0.484 1246 E N -0.233 119.994 120.200 0.046 0.000 2.086 1246 E HA -0.384 3.976 4.350 0.015 0.000 0.205 1246 E C 1.346 177.992 176.600 0.077 0.000 1.027 1246 E CA 1.806 58.239 56.400 0.056 0.000 0.830 1246 E CB 0.004 29.729 29.700 0.041 0.000 0.751 1246 E HN 0.542 nan 8.360 nan 0.000 0.456 1247 E N 0.069 120.309 120.200 0.066 0.000 2.107 1247 E HA -0.060 4.299 4.350 0.015 0.000 0.191 1247 E C 2.183 178.844 176.600 0.102 0.000 0.982 1247 E CA 1.151 57.602 56.400 0.085 0.000 0.809 1247 E CB -0.058 29.676 29.700 0.058 0.000 0.756 1247 E HN 0.110 nan 8.360 nan 0.000 0.459 1248 S N 0.459 116.203 115.700 0.073 0.000 2.383 1248 S HA -0.073 4.407 4.470 0.015 0.000 0.227 1248 S C 1.877 176.517 174.600 0.067 0.000 1.026 1248 S CA 0.697 58.934 58.200 0.061 0.000 0.981 1248 S CB -0.190 63.036 63.200 0.044 0.000 0.818 1248 S HN 0.153 nan 8.310 nan 0.000 0.472 1249 L N -0.533 120.738 121.223 0.081 0.000 2.017 1249 L HA -0.127 4.223 4.340 0.015 0.000 0.208 1249 L C 2.311 179.244 176.870 0.105 0.000 1.073 1249 L CA 1.516 56.405 54.840 0.082 0.000 0.745 1249 L CB -0.461 41.651 42.059 0.088 0.000 0.894 1249 L HN 0.316 nan 8.230 nan 0.000 0.432 1250 Y N 0.381 120.700 120.300 0.031 0.000 2.314 1250 Y HA -0.214 4.345 4.550 0.015 0.000 0.293 1250 Y C 2.600 178.518 175.900 0.031 0.000 1.129 1250 Y CA 1.561 59.682 58.100 0.036 0.000 1.201 1250 Y CB 0.064 38.545 38.460 0.035 0.000 0.999 1250 Y HN 0.219 nan 8.280 nan 0.000 0.541 1251 E N -0.872 119.391 120.200 0.105 0.000 2.072 1251 E HA -0.161 4.198 4.350 0.015 0.000 0.191 1251 E C 2.127 178.712 176.600 -0.025 0.000 0.985 1251 E CA 1.387 57.812 56.400 0.042 0.000 0.801 1251 E CB -0.088 29.651 29.700 0.066 0.000 0.750 1251 E HN 0.389 nan 8.360 nan 0.000 0.452 1252 S N 0.165 115.856 115.700 -0.016 0.000 2.368 1252 S HA -0.164 4.315 4.470 0.015 0.000 0.225 1252 S C 2.009 176.568 174.600 -0.068 0.000 1.030 1252 S CA 1.050 59.232 58.200 -0.030 0.000 0.999 1252 S CB -0.321 62.871 63.200 -0.012 0.000 0.844 1252 S HN 0.283 nan 8.310 nan 0.000 0.459 1253 S N 1.470 117.104 115.700 -0.110 0.000 2.359 1253 S HA -0.054 4.425 4.470 0.015 0.000 0.224 1253 S C 1.778 176.266 174.600 -0.186 0.000 1.035 1253 S CA 1.048 59.152 58.200 -0.160 0.000 1.018 1253 S CB -0.506 62.541 63.200 -0.254 0.000 0.876 1253 S HN 0.459 nan 8.310 nan 0.000 0.448 1254 L N 0.806 121.885 121.223 -0.239 0.000 2.131 1254 L HA -0.064 4.286 4.340 0.015 0.000 0.210 1254 L C 2.264 179.081 176.870 -0.087 0.000 1.092 1254 L CA 0.937 55.674 54.840 -0.173 0.000 0.759 1254 L CB -0.407 41.565 42.059 -0.145 0.000 0.903 1254 L HN 0.374 nan 8.230 nan 0.000 0.435 1255 L N -0.949 120.232 121.223 -0.069 0.000 2.270 1255 L HA -0.101 4.248 4.340 0.015 0.000 0.210 1255 L C 2.319 179.163 176.870 -0.043 0.000 1.104 1255 L CA 0.822 55.636 54.840 -0.043 0.000 0.804 1255 L CB -0.120 41.920 42.059 -0.031 0.000 0.937 1255 L HN 0.235 nan 8.230 nan 0.000 0.450 1256 I N -0.586 119.953 120.570 -0.052 0.000 2.333 1256 I HA -0.135 4.045 4.170 0.015 0.000 0.246 1256 I C 1.030 177.121 176.117 -0.043 0.000 1.106 1256 I CA 0.950 62.222 61.300 -0.047 0.000 1.411 1256 I CB 0.341 38.310 38.000 -0.051 0.000 1.082 1256 I HN 0.162 nan 8.210 nan 0.000 0.420 1257 E N 1.104 121.274 120.200 -0.050 0.000 2.621 1257 E HA 0.288 4.647 4.350 0.015 0.000 0.263 1257 E C -2.472 174.102 176.600 -0.043 0.000 1.033 1257 E CA -1.994 54.383 56.400 -0.038 0.000 0.778 1257 E CB 1.223 30.906 29.700 -0.028 0.000 1.426 1257 E HN -0.088 nan 8.360 nan 0.000 0.394 1258 P HA -0.050 nan 4.420 nan 0.000 0.267 1258 P C -0.410 176.881 177.300 -0.014 0.000 1.201 1258 P CA 0.095 63.180 63.100 -0.025 0.000 0.775 1258 P CB 0.622 32.313 31.700 -0.015 0.000 0.854 1259 K N 0.000 120.397 120.400 -0.005 0.000 2.780 1259 K HA 0.000 4.329 4.320 0.015 0.000 0.191 1259 K CA 0.000 56.295 56.287 0.014 0.000 0.838 1259 K CB 0.000 32.519 32.500 0.032 0.000 1.064 1259 K HN 0.000 nan 8.250 nan 0.000 0.543