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 3eta_1_A DATA FIRST_RESID 990 DATA SEQUENCE EVSREKITLL RELGQGSFGM VYEGNARDII KGEAETRVAV KTVNESASLR DATA SEQUENCE ERIEFLNEAS VMKGFTCHHV VRLLGVVSKG QPTLVVMELM AHGDLKSYLR DATA SEQUENCE SLRPEAENNP GRPPPTLQEM IQMAAEIADG MAYLNAKKFV HRDLAARNCM DATA SEQUENCE VAHDFTVKIG DFGMTRDIYE TDYYRKGXKG LLPVRWMAPE SLKDGVFTTS DATA SEQUENCE SDMWSFGVVL WEITSLAEQP YQGLSNEQVL KFVMDGGYLD QPDNCPERVT DATA SEQUENCE DLMRMCWQFN PKMRPTFLEI VNLLKDDLHP SFPEVSFFHS EENK 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 990 E HA 0.000 nan 4.350 nan 0.000 0.291 990 E C 0.000 176.587 176.600 -0.021 0.000 1.382 990 E CA 0.000 56.385 56.400 -0.025 0.000 0.976 990 E CB 0.000 29.687 29.700 -0.022 0.000 0.812 991 V N 3.101 123.004 119.914 -0.019 0.000 2.709 991 V HA 0.543 4.664 4.120 0.002 0.000 0.308 991 V C 0.078 176.164 176.094 -0.014 0.000 1.062 991 V CA -0.949 61.341 62.300 -0.017 0.000 0.901 991 V CB 2.228 34.040 31.823 -0.019 0.000 1.003 991 V HN 0.759 nan 8.190 nan 0.000 0.425 992 S N 2.601 118.292 115.700 -0.014 0.000 2.552 992 S HA 0.066 4.538 4.470 0.002 0.000 0.289 992 S C 1.306 175.898 174.600 -0.015 0.000 1.304 992 S CA -0.010 58.182 58.200 -0.013 0.000 1.063 992 S CB 0.340 63.532 63.200 -0.014 0.000 0.848 992 S HN 0.764 nan 8.310 nan 0.000 0.499 993 R N 2.252 122.744 120.500 -0.014 0.000 2.127 993 R HA -0.137 4.205 4.340 0.002 0.000 0.238 993 R C 2.098 178.385 176.300 -0.021 0.000 1.134 993 R CA 1.658 57.747 56.100 -0.017 0.000 0.975 993 R CB -0.087 30.203 30.300 -0.016 0.000 0.865 993 R HN 0.800 nan 8.270 nan 0.000 0.447 994 E N 0.644 120.832 120.200 -0.019 0.000 2.418 994 E HA -0.176 4.176 4.350 0.002 0.000 0.197 994 E C 0.858 177.446 176.600 -0.020 0.000 1.026 994 E CA 1.051 57.439 56.400 -0.020 0.000 0.862 994 E CB 0.019 29.708 29.700 -0.017 0.000 0.799 994 E HN 0.319 nan 8.360 nan 0.000 0.518 995 K N 0.183 120.571 120.400 -0.020 0.000 2.459 995 K HA 0.141 4.463 4.320 0.002 0.000 0.193 995 K C 0.190 176.777 176.600 -0.022 0.000 1.030 995 K CA 0.158 56.433 56.287 -0.020 0.000 1.026 995 K CB 0.405 32.894 32.500 -0.018 0.000 0.809 995 K HN 0.112 nan 8.250 nan 0.000 0.504 996 I N 1.019 121.574 120.570 -0.024 0.000 2.433 996 I HA 0.187 4.358 4.170 0.002 0.000 0.292 996 I C -0.373 175.722 176.117 -0.037 0.000 1.001 996 I CA -0.314 60.969 61.300 -0.028 0.000 1.119 996 I CB 1.807 39.792 38.000 -0.026 0.000 1.289 996 I HN -0.228 nan 8.210 nan 0.000 0.438 997 T N 6.856 121.388 114.554 -0.037 0.000 2.890 997 T HA 0.528 4.879 4.350 0.002 0.000 0.295 997 T C -0.002 174.668 174.700 -0.051 0.000 0.993 997 T CA -0.502 61.570 62.100 -0.046 0.000 0.979 997 T CB 1.340 70.188 68.868 -0.034 0.000 0.967 997 T HN 0.243 nan 8.240 nan 0.000 0.441 998 L N 4.245 125.412 121.223 -0.092 0.000 2.367 998 L HA 0.372 4.714 4.340 0.002 0.000 0.275 998 L C 0.929 177.773 176.870 -0.042 0.000 1.129 998 L CA -0.326 54.452 54.840 -0.105 0.000 0.839 998 L CB 0.510 42.366 42.059 -0.338 0.000 1.133 998 L HN 0.622 nan 8.230 nan 0.000 0.453 999 L N 3.088 124.325 121.223 0.024 0.000 2.445 999 L HA 0.272 4.613 4.340 0.002 0.000 0.207 999 L C 0.589 177.503 176.870 0.073 0.000 1.053 999 L CA 0.194 55.055 54.840 0.035 0.000 0.841 999 L CB 0.171 42.246 42.059 0.028 0.000 1.074 999 L HN 0.706 nan 8.230 nan 0.000 0.479 1000 R N -0.524 120.056 120.500 0.132 0.000 2.690 1000 R HA 0.386 4.728 4.340 0.002 0.000 0.269 1000 R C -1.355 175.056 176.300 0.186 0.000 1.037 1000 R CA -0.795 55.388 56.100 0.139 0.000 0.877 1000 R CB 1.139 31.482 30.300 0.071 0.000 1.255 1000 R HN -0.174 nan 8.270 nan 0.000 0.467 1001 E N 1.271 121.527 120.200 0.094 0.000 2.316 1001 E HA 0.119 4.470 4.350 0.002 0.000 0.275 1001 E C 0.206 176.774 176.600 -0.053 0.000 1.029 1001 E CA -0.173 56.182 56.400 -0.075 0.000 0.871 1001 E CB 1.306 30.936 29.700 -0.118 0.000 1.022 1001 E HN 0.426 nan 8.360 nan 0.000 0.418 1002 L N 1.904 123.078 121.223 -0.081 0.000 2.253 1002 L HA 0.247 4.589 4.340 0.002 0.000 0.205 1002 L C 0.992 177.839 176.870 -0.039 0.000 1.078 1002 L CA 0.508 55.331 54.840 -0.028 0.000 0.805 1002 L CB 0.257 42.323 42.059 0.010 0.000 0.963 1002 L HN 0.710 nan 8.230 nan 0.000 0.459 1003 G N -1.247 107.504 108.800 -0.082 0.000 2.347 1003 G HA2 0.064 4.026 3.960 0.002 0.000 0.303 1003 G HA3 0.064 4.026 3.960 0.002 0.000 0.303 1003 G C -1.591 173.259 174.900 -0.083 0.000 1.481 1003 G CA -0.823 44.232 45.100 -0.074 0.000 0.914 1003 G HN -0.222 nan 8.290 nan 0.000 0.638 1004 Q N 0.421 120.175 119.800 -0.077 0.000 2.271 1004 Q HA 0.385 4.726 4.340 0.002 0.000 0.273 1004 Q C 1.098 177.085 176.000 -0.021 0.000 1.051 1004 Q CA 0.750 56.515 55.803 -0.063 0.000 0.901 1004 Q CB 1.203 29.907 28.738 -0.057 0.000 1.174 1004 Q HN 0.876 nan 8.270 nan 0.000 0.385 1005 G N 1.511 110.311 108.800 -0.001 0.000 2.485 1005 G HA2 0.094 4.055 3.960 0.002 0.000 0.260 1005 G HA3 0.094 4.055 3.960 0.002 0.000 0.260 1005 G C 0.871 175.736 174.900 -0.059 0.000 1.459 1005 G CA -0.234 44.885 45.100 0.031 0.000 1.060 1005 G HN 0.581 nan 8.290 nan 0.000 0.546 1006 S N -1.045 114.541 115.700 -0.191 0.000 2.362 1006 S HA 0.073 4.544 4.470 0.002 0.000 0.221 1006 S C 1.481 175.898 174.600 -0.306 0.000 1.032 1006 S CA 0.987 58.940 58.200 -0.413 0.000 0.973 1006 S CB -0.231 62.462 63.200 -0.845 0.000 0.849 1006 S HN 0.430 nan 8.310 nan 0.000 0.465 1007 F N 0.628 120.599 119.950 0.034 0.000 2.683 1007 F HA 0.507 5.035 4.527 0.002 0.000 0.306 1007 F C 0.916 176.676 175.800 -0.068 0.000 1.102 1007 F CA -0.342 57.648 58.000 -0.016 0.000 1.244 1007 F CB 1.080 40.073 39.000 -0.011 0.000 1.029 1007 F HN 0.242 nan 8.300 nan 0.000 0.545 1008 G N 0.369 109.208 108.800 0.064 0.000 2.328 1008 G HA2 0.358 4.319 3.960 0.002 0.000 0.295 1008 G HA3 0.358 4.319 3.960 0.002 0.000 0.295 1008 G C -1.882 173.007 174.900 -0.017 0.000 1.413 1008 G CA -1.100 44.003 45.100 0.005 0.000 0.817 1008 G HN -0.126 nan 8.290 nan 0.000 0.546 1009 M N 0.685 120.251 119.600 -0.057 0.000 2.245 1009 M HA 0.558 5.039 4.480 0.002 0.000 0.344 1009 M C -0.210 175.963 176.300 -0.211 0.000 1.170 1009 M CA -0.259 54.916 55.300 -0.208 0.000 1.135 1009 M CB 1.062 33.424 32.600 -0.396 0.000 1.574 1009 M HN 0.375 nan 8.290 nan 0.000 0.452 1010 V N 6.687 126.459 119.914 -0.238 0.000 2.398 1010 V HA 0.396 4.518 4.120 0.002 0.000 0.286 1010 V C -0.963 174.986 176.094 -0.242 0.000 1.026 1010 V CA -0.555 61.678 62.300 -0.112 0.000 0.868 1010 V CB 0.716 32.548 31.823 0.015 0.000 0.982 1010 V HN 0.755 nan 8.190 nan 0.000 0.443 1011 Y N 1.643 121.966 120.300 0.038 0.000 2.457 1011 Y HA 0.476 5.027 4.550 0.003 0.000 0.333 1011 Y C 0.458 176.367 175.900 0.015 0.000 1.119 1011 Y CA -0.753 57.361 58.100 0.024 0.000 1.143 1011 Y CB 1.391 39.862 38.460 0.018 0.000 1.230 1011 Y HN 0.600 nan 8.280 nan 0.000 0.469 1012 E N 1.040 121.341 120.200 0.169 0.000 2.227 1012 E HA 0.563 4.914 4.350 0.002 0.000 0.282 1012 E C -0.521 176.133 176.600 0.090 0.000 1.015 1012 E CA -0.356 56.100 56.400 0.093 0.000 0.823 1012 E CB 0.834 30.564 29.700 0.050 0.000 1.081 1012 E HN 0.896 nan 8.360 nan 0.000 0.396 1013 G N 3.104 111.933 108.800 0.048 0.000 2.680 1013 G HA2 0.259 4.221 3.960 0.002 0.000 0.290 1013 G HA3 0.259 4.221 3.960 0.002 0.000 0.290 1013 G C -1.011 173.888 174.900 -0.003 0.000 1.355 1013 G CA -0.739 44.373 45.100 0.020 0.000 0.903 1013 G HN 0.527 nan 8.290 nan 0.000 0.474 1014 N N -0.161 118.532 118.700 -0.012 0.000 2.509 1014 N HA 0.622 5.363 4.740 0.002 0.000 0.287 1014 N C -0.403 175.094 175.510 -0.021 0.000 1.121 1014 N CA -0.065 52.973 53.050 -0.019 0.000 0.977 1014 N CB 1.955 40.431 38.487 -0.019 0.000 1.167 1014 N HN 0.739 nan 8.380 nan 0.000 0.476 1015 A N 2.061 124.866 122.820 -0.025 0.000 2.359 1015 A HA 0.530 4.851 4.320 0.002 0.000 0.303 1015 A C -0.290 177.279 177.584 -0.025 0.000 1.066 1015 A CA -0.709 51.313 52.037 -0.025 0.000 0.730 1015 A CB 1.019 20.003 19.000 -0.027 0.000 1.211 1015 A HN 0.582 nan 8.150 nan 0.000 0.439 1016 R N 2.311 122.798 120.500 -0.022 0.000 2.254 1016 R HA 0.405 4.747 4.340 0.002 0.000 0.318 1016 R C -0.784 175.504 176.300 -0.020 0.000 1.031 1016 R CA -0.354 55.734 56.100 -0.020 0.000 0.905 1016 R CB 0.531 30.820 30.300 -0.018 0.000 1.050 1016 R HN 0.794 nan 8.270 nan 0.000 0.456 1017 D N 2.627 123.016 120.400 -0.019 0.000 2.723 1017 D HA -0.181 4.461 4.640 0.002 0.000 0.236 1017 D C 0.840 177.129 176.300 -0.020 0.000 1.138 1017 D CA 1.157 55.146 54.000 -0.018 0.000 0.676 1017 D CB -0.897 39.894 40.800 -0.015 0.000 1.069 1017 D HN 0.620 nan 8.370 nan 0.000 0.430 1018 I N -3.389 117.167 120.570 -0.023 0.000 2.867 1018 I HA 0.109 4.281 4.170 0.002 0.000 0.265 1018 I C 1.112 177.214 176.117 -0.025 0.000 1.162 1018 I CA 0.389 61.674 61.300 -0.025 0.000 1.471 1018 I CB 0.148 38.131 38.000 -0.029 0.000 1.123 1018 I HN -0.085 nan 8.210 nan 0.000 0.440 1019 I N 1.899 122.454 120.570 -0.026 0.000 2.493 1019 I HA 0.426 4.598 4.170 0.002 0.000 0.298 1019 I C 0.629 176.734 176.117 -0.019 0.000 0.998 1019 I CA -0.781 60.505 61.300 -0.024 0.000 1.137 1019 I CB 1.465 39.447 38.000 -0.028 0.000 1.310 1019 I HN 0.046 nan 8.210 nan 0.000 0.445 1020 K N 3.685 124.075 120.400 -0.016 0.000 2.447 1020 K HA 0.438 4.759 4.320 0.002 0.000 0.281 1020 K C 1.042 177.635 176.600 -0.011 0.000 1.031 1020 K CA 0.355 56.635 56.287 -0.013 0.000 1.019 1020 K CB -0.318 32.176 32.500 -0.011 0.000 0.918 1020 K HN 1.152 nan 8.250 nan 0.000 0.476 1021 G N 0.996 109.790 108.800 -0.010 0.000 2.195 1021 G HA2 -0.206 3.756 3.960 0.002 0.000 0.246 1021 G HA3 -0.206 3.756 3.960 0.002 0.000 0.246 1021 G C 0.030 174.924 174.900 -0.010 0.000 0.984 1021 G CA 0.369 45.463 45.100 -0.009 0.000 0.633 1021 G HN 0.754 nan 8.290 nan 0.000 0.525 1022 E N 0.172 120.364 120.200 -0.014 0.000 2.155 1022 E HA 0.638 4.990 4.350 0.002 0.000 0.264 1022 E C 1.088 177.678 176.600 -0.017 0.000 0.886 1022 E CA -0.054 56.336 56.400 -0.017 0.000 0.752 1022 E CB 1.437 31.123 29.700 -0.023 0.000 1.133 1022 E HN 0.369 nan 8.360 nan 0.000 0.414 1023 A N 3.882 126.693 122.820 -0.015 0.000 2.014 1023 A HA -0.071 4.251 4.320 0.002 0.000 0.218 1023 A C 0.623 178.196 177.584 -0.018 0.000 1.163 1023 A CA 1.174 53.203 52.037 -0.015 0.000 0.652 1023 A CB 0.196 19.189 19.000 -0.012 0.000 0.808 1023 A HN 0.596 nan 8.150 nan 0.000 0.449 1024 E N -1.810 118.378 120.200 -0.021 0.000 2.356 1024 E HA 0.544 4.895 4.350 0.002 0.000 0.275 1024 E C -1.599 174.981 176.600 -0.033 0.000 0.904 1024 E CA -0.557 55.829 56.400 -0.025 0.000 0.757 1024 E CB 2.312 31.998 29.700 -0.022 0.000 1.232 1024 E HN 0.088 nan 8.360 nan 0.000 0.442 1025 T N 1.579 116.110 114.554 -0.037 0.000 2.991 1025 T HA 0.330 4.682 4.350 0.002 0.000 0.303 1025 T C -0.697 173.972 174.700 -0.051 0.000 1.015 1025 T CA -0.950 61.119 62.100 -0.051 0.000 1.007 1025 T CB 1.140 69.976 68.868 -0.054 0.000 1.034 1025 T HN 0.151 nan 8.240 nan 0.000 0.446 1026 R N 2.270 122.732 120.500 -0.064 0.000 2.442 1026 R HA 0.506 4.847 4.340 0.002 0.000 0.291 1026 R C 0.077 176.339 176.300 -0.064 0.000 1.069 1026 R CA -0.131 55.934 56.100 -0.059 0.000 1.022 1026 R CB 0.612 30.871 30.300 -0.070 0.000 0.976 1026 R HN 0.633 nan 8.270 nan 0.000 0.443 1027 V N -1.119 118.771 119.914 -0.041 0.000 3.078 1027 V HA 0.861 4.983 4.120 0.002 0.000 0.311 1027 V C -0.394 175.694 176.094 -0.010 0.000 1.138 1027 V CA -1.370 60.909 62.300 -0.035 0.000 1.007 1027 V CB 2.111 33.917 31.823 -0.028 0.000 1.045 1027 V HN 0.752 nan 8.190 nan 0.000 0.432 1028 A N 1.768 124.583 122.820 -0.009 0.000 2.306 1028 A HA 0.856 5.178 4.320 0.002 0.000 0.314 1028 A C -0.503 177.106 177.584 0.041 0.000 1.164 1028 A CA -0.624 51.425 52.037 0.021 0.000 0.822 1028 A CB 1.270 20.272 19.000 0.003 0.000 1.130 1028 A HN 1.512 nan 8.150 nan 0.000 0.496 1029 V N 3.044 123.017 119.914 0.099 0.000 2.409 1029 V HA 0.306 4.428 4.120 0.002 0.000 0.290 1029 V C 0.038 176.251 176.094 0.198 0.000 1.017 1029 V CA -0.691 61.687 62.300 0.131 0.000 0.841 1029 V CB 1.362 33.266 31.823 0.135 0.000 1.003 1029 V HN 0.931 nan 8.190 nan 0.000 0.426 1030 K N 3.187 123.693 120.400 0.177 0.000 2.234 1030 K HA 0.634 4.955 4.320 0.002 0.000 0.282 1030 K C 0.160 177.001 176.600 0.401 0.000 1.039 1030 K CA -0.107 56.333 56.287 0.254 0.000 0.928 1030 K CB 1.224 33.847 32.500 0.206 0.000 1.039 1030 K HN 0.928 nan 8.250 nan 0.000 0.470 1031 T N -0.806 113.942 114.554 0.323 0.000 2.888 1031 T HA 0.434 4.786 4.350 0.002 0.000 0.288 1031 T C -0.986 173.591 174.700 -0.204 0.000 1.063 1031 T CA -0.876 61.316 62.100 0.154 0.000 1.010 1031 T CB 1.642 70.636 68.868 0.210 0.000 1.214 1031 T HN 0.271 nan 8.240 nan 0.000 0.533 1032 V N 1.641 121.271 119.914 -0.473 0.000 2.495 1032 V HA 0.576 4.698 4.120 0.002 0.000 0.298 1032 V C -0.229 175.748 176.094 -0.196 0.000 1.031 1032 V CA -0.870 61.123 62.300 -0.512 0.000 0.871 1032 V CB 1.410 32.678 31.823 -0.925 0.000 0.988 1032 V HN 1.066 nan 8.190 nan 0.000 0.432 1033 N N 4.516 123.157 118.700 -0.098 0.000 2.482 1033 N HA 0.270 5.012 4.740 0.002 0.000 0.260 1033 N C 1.180 176.661 175.510 -0.049 0.000 1.236 1033 N CA 0.863 53.888 53.050 -0.041 0.000 0.938 1033 N CB 1.710 40.193 38.487 -0.006 0.000 1.128 1033 N HN 0.814 nan 8.380 nan 0.000 0.448 1034 E N 0.435 120.618 120.200 -0.029 0.000 2.333 1034 E HA -0.135 4.217 4.350 0.002 0.000 0.198 1034 E C 1.431 178.013 176.600 -0.030 0.000 1.007 1034 E CA 1.591 57.974 56.400 -0.029 0.000 0.845 1034 E CB -0.814 28.876 29.700 -0.016 0.000 0.766 1034 E HN 0.668 nan 8.360 nan 0.000 0.507 1035 S N -1.106 114.579 115.700 -0.024 0.000 2.597 1035 S HA 0.633 5.105 4.470 0.002 0.000 0.224 1035 S C 1.049 175.629 174.600 -0.033 0.000 0.955 1035 S CA 0.291 58.477 58.200 -0.022 0.000 0.933 1035 S CB 0.030 63.224 63.200 -0.010 0.000 0.788 1035 S HN 0.809 nan 8.310 nan 0.000 0.488 1036 A N 2.266 125.056 122.820 -0.050 0.000 2.388 1036 A HA 0.628 4.950 4.320 0.002 0.000 0.257 1036 A C 0.771 178.291 177.584 -0.106 0.000 1.095 1036 A CA -0.226 51.760 52.037 -0.085 0.000 0.791 1036 A CB 0.263 19.197 19.000 -0.110 0.000 1.029 1036 A HN 0.720 nan 8.150 nan 0.000 0.489 1037 S N 1.670 117.286 115.700 -0.139 0.000 2.661 1037 S HA 0.306 4.778 4.470 0.002 0.000 0.265 1037 S C 1.092 175.615 174.600 -0.129 0.000 1.225 1037 S CA -0.024 58.104 58.200 -0.119 0.000 0.986 1037 S CB 0.366 63.496 63.200 -0.116 0.000 1.008 1037 S HN 1.099 nan 8.310 nan 0.000 0.565 1038 L N 0.822 121.988 121.223 -0.094 0.000 2.012 1038 L HA -0.008 4.333 4.340 0.002 0.000 0.210 1038 L C 2.771 179.582 176.870 -0.097 0.000 1.073 1038 L CA 1.921 56.714 54.840 -0.078 0.000 0.748 1038 L CB -0.890 41.136 42.059 -0.054 0.000 0.891 1038 L HN 0.891 nan 8.230 nan 0.000 0.431 1039 R N -0.506 119.924 120.500 -0.117 0.000 2.096 1039 R HA -0.191 4.150 4.340 0.002 0.000 0.235 1039 R C 2.127 178.296 176.300 -0.217 0.000 1.127 1039 R CA 1.969 57.992 56.100 -0.130 0.000 0.968 1039 R CB -0.178 30.052 30.300 -0.117 0.000 0.861 1039 R HN 0.563 nan 8.270 nan 0.000 0.440 1040 E N -0.437 119.545 120.200 -0.363 0.000 2.107 1040 E HA -0.124 4.227 4.350 0.002 0.000 0.191 1040 E C 2.206 178.574 176.600 -0.387 0.000 0.982 1040 E CA 0.806 56.762 56.400 -0.740 0.000 0.809 1040 E CB 0.052 29.119 29.700 -1.054 0.000 0.756 1040 E HN 0.294 nan 8.360 nan 0.000 0.459 1041 R N 0.501 120.890 120.500 -0.185 0.000 2.081 1041 R HA -0.118 4.224 4.340 0.002 0.000 0.235 1041 R C 2.355 178.706 176.300 0.085 0.000 1.131 1041 R CA 1.159 57.251 56.100 -0.012 0.000 0.960 1041 R CB -0.303 29.977 30.300 -0.032 0.000 0.856 1041 R HN 0.184 nan 8.270 nan 0.000 0.436 1042 I N 0.770 121.344 120.570 0.006 0.000 2.163 1042 I HA -0.290 3.882 4.170 0.002 0.000 0.243 1042 I C 2.118 178.266 176.117 0.052 0.000 1.085 1042 I CA 1.523 62.836 61.300 0.022 0.000 1.347 1042 I CB -0.238 37.754 38.000 -0.012 0.000 1.044 1042 I HN 0.244 nan 8.210 nan 0.000 0.408 1043 E N 0.191 120.419 120.200 0.047 0.000 2.072 1043 E HA -0.244 4.107 4.350 0.002 0.000 0.191 1043 E C 2.067 178.801 176.600 0.224 0.000 0.985 1043 E CA 1.317 57.794 56.400 0.128 0.000 0.801 1043 E CB -0.191 29.613 29.700 0.173 0.000 0.750 1043 E HN 0.413 nan 8.360 nan 0.000 0.452 1044 F N 1.625 121.662 119.950 0.145 0.000 2.069 1044 F HA -0.221 4.308 4.527 0.002 0.000 0.298 1044 F C 1.938 177.782 175.800 0.072 0.000 1.113 1044 F CA 1.484 59.585 58.000 0.168 0.000 1.214 1044 F CB -0.178 38.930 39.000 0.181 0.000 0.978 1044 F HN -0.091 nan 8.300 nan 0.000 0.474 1045 L N 0.198 121.484 121.223 0.105 0.000 2.056 1045 L HA -0.246 4.095 4.340 0.002 0.000 0.207 1045 L C 2.502 179.322 176.870 -0.083 0.000 1.078 1045 L CA 1.612 56.433 54.840 -0.032 0.000 0.749 1045 L CB -1.097 41.007 42.059 0.076 0.000 0.901 1045 L HN 0.364 nan 8.230 nan 0.000 0.433 1046 N N 0.620 119.304 118.700 -0.027 0.000 2.104 1046 N HA -0.287 4.454 4.740 0.002 0.000 0.190 1046 N C 1.843 177.310 175.510 -0.072 0.000 1.024 1046 N CA 1.817 54.847 53.050 -0.034 0.000 0.853 1046 N CB 0.068 38.558 38.487 0.005 0.000 1.008 1046 N HN 0.435 nan 8.380 nan 0.000 0.424 1047 E N 0.282 120.434 120.200 -0.080 0.000 2.058 1047 E HA -0.178 4.174 4.350 0.002 0.000 0.194 1047 E C 1.938 178.417 176.600 -0.201 0.000 0.997 1047 E CA 1.294 57.627 56.400 -0.112 0.000 0.801 1047 E CB -0.194 29.447 29.700 -0.098 0.000 0.746 1047 E HN 0.451 nan 8.360 nan 0.000 0.450 1048 A N 0.518 123.177 122.820 -0.269 0.000 1.883 1048 A HA -0.222 4.099 4.320 0.002 0.000 0.217 1048 A C 2.378 179.832 177.584 -0.217 0.000 1.186 1048 A CA 2.050 53.927 52.037 -0.267 0.000 0.624 1048 A CB -0.992 17.823 19.000 -0.308 0.000 0.822 1048 A HN 0.362 nan 8.150 nan 0.000 0.444 1049 S N -0.821 114.771 115.700 -0.180 0.000 2.356 1049 S HA -0.127 4.344 4.470 0.002 0.000 0.223 1049 S C 1.912 176.382 174.600 -0.217 0.000 1.032 1049 S CA 1.643 59.748 58.200 -0.158 0.000 1.005 1049 S CB -0.485 62.651 63.200 -0.107 0.000 0.867 1049 S HN 0.301 nan 8.310 nan 0.000 0.449 1050 V N 2.088 121.855 119.914 -0.244 0.000 2.407 1050 V HA -0.126 3.995 4.120 0.002 0.000 0.248 1050 V C 2.331 177.963 176.094 -0.770 0.000 1.055 1050 V CA 1.894 63.973 62.300 -0.368 0.000 1.049 1050 V CB -0.589 31.107 31.823 -0.212 0.000 0.662 1050 V HN 0.544 nan 8.190 nan 0.000 0.455 1051 M N -0.943 118.272 119.600 -0.641 0.000 2.557 1051 M HA -0.092 4.390 4.480 0.002 0.000 0.259 1051 M C 2.016 178.042 176.300 -0.456 0.000 1.086 1051 M CA 1.142 56.021 55.300 -0.701 0.000 1.096 1051 M CB -0.377 32.030 32.600 -0.322 0.000 1.424 1051 M HN 0.254 nan 8.290 nan 0.000 0.488 1052 K N 0.156 120.349 120.400 -0.345 0.000 2.280 1052 K HA -0.078 4.244 4.320 0.002 0.000 0.202 1052 K C 1.794 178.291 176.600 -0.172 0.000 1.047 1052 K CA 1.156 57.321 56.287 -0.205 0.000 0.942 1052 K CB -0.199 32.207 32.500 -0.156 0.000 0.739 1052 K HN 0.423 nan 8.250 nan 0.000 0.457 1053 G N 0.156 108.791 108.800 -0.275 0.000 3.042 1053 G HA2 0.028 3.989 3.960 0.002 0.000 0.212 1053 G HA3 0.028 3.989 3.960 0.002 0.000 0.212 1053 G C -0.134 174.853 174.900 0.146 0.000 1.166 1053 G CA -0.271 44.764 45.100 -0.108 0.000 0.767 1053 G HN -0.024 nan 8.290 nan 0.000 0.546 1054 F N 1.355 121.313 119.950 0.014 0.000 2.404 1054 F HA 0.508 5.036 4.527 0.002 0.000 0.354 1054 F C 0.075 175.874 175.800 -0.001 0.000 1.122 1054 F CA -1.510 56.550 58.000 0.100 0.000 1.080 1054 F CB 1.566 40.580 39.000 0.024 0.000 1.131 1054 F HN -0.279 nan 8.300 nan 0.000 0.471 1055 T N 2.567 117.221 114.554 0.167 0.000 2.963 1055 T HA 0.429 4.781 4.350 0.002 0.000 0.328 1055 T C -1.124 173.303 174.700 -0.457 0.000 1.048 1055 T CA -0.505 61.545 62.100 -0.084 0.000 1.033 1055 T CB 0.917 69.790 68.868 0.008 0.000 1.010 1055 T HN 0.733 nan 8.240 nan 0.000 0.469 1056 C N 3.077 122.063 119.300 -0.523 0.000 2.811 1056 C HA 0.467 4.929 4.460 0.002 0.000 0.352 1056 C C 1.465 176.267 174.990 -0.313 0.000 1.098 1056 C CA -0.521 58.130 59.018 -0.611 0.000 1.295 1056 C CB 0.603 27.664 27.740 -1.131 0.000 1.758 1056 C HN 1.126 nan 8.230 nan 0.000 0.488 1057 H N 1.484 120.334 119.070 -0.367 0.000 2.489 1057 H HA -0.021 4.536 4.556 0.002 0.000 0.293 1057 H C 1.065 176.127 175.328 -0.443 0.000 1.066 1057 H CA 2.329 58.126 56.048 -0.419 0.000 1.305 1057 H CB 0.054 29.486 29.762 -0.550 0.000 1.386 1057 H HN 0.861 nan 8.280 nan 0.000 0.551 1058 H N -1.529 117.492 119.070 -0.081 0.000 2.528 1058 H HA 0.356 4.914 4.556 0.002 0.000 0.282 1058 H C -0.722 174.549 175.328 -0.094 0.000 1.097 1058 H CA -0.216 55.795 56.048 -0.061 0.000 1.121 1058 H CB 0.857 30.654 29.762 0.058 0.000 1.590 1058 H HN 0.002 nan 8.280 nan 0.000 0.553 1059 V N 1.417 121.274 119.914 -0.094 0.000 2.588 1059 V HA 0.116 4.238 4.120 0.002 0.000 0.304 1059 V C 0.093 176.121 176.094 -0.109 0.000 1.042 1059 V CA -1.171 61.069 62.300 -0.099 0.000 0.877 1059 V CB 2.460 34.185 31.823 -0.162 0.000 0.996 1059 V HN -0.010 nan 8.190 nan 0.000 0.425 1060 V N 5.276 125.142 119.914 -0.080 0.000 2.506 1060 V HA 0.025 4.146 4.120 0.002 0.000 0.296 1060 V C 0.803 176.847 176.094 -0.082 0.000 1.004 1060 V CA 0.510 62.755 62.300 -0.091 0.000 1.150 1060 V CB -0.212 31.552 31.823 -0.100 0.000 0.911 1060 V HN 0.798 nan 8.190 nan 0.000 0.476 1061 R N 3.787 124.233 120.500 -0.091 0.000 2.404 1061 R HA 0.526 4.868 4.340 0.002 0.000 0.291 1061 R C -0.520 175.738 176.300 -0.071 0.000 1.025 1061 R CA -0.867 55.190 56.100 -0.073 0.000 0.991 1061 R CB 1.091 31.341 30.300 -0.083 0.000 1.053 1061 R HN 0.650 nan 8.270 nan 0.000 0.479 1062 L N 5.184 126.368 121.223 -0.065 0.000 2.276 1062 L HA 0.215 4.557 4.340 0.002 0.000 0.286 1062 L C 0.117 176.947 176.870 -0.067 0.000 1.061 1062 L CA 0.160 54.952 54.840 -0.079 0.000 0.807 1062 L CB 1.018 43.014 42.059 -0.104 0.000 1.177 1062 L HN 0.782 nan 8.230 nan 0.000 0.429 1063 L N 4.834 126.020 121.223 -0.062 0.000 2.298 1063 L HA 0.503 4.844 4.340 0.002 0.000 0.209 1063 L C 0.991 177.833 176.870 -0.048 0.000 1.084 1063 L CA 0.460 55.269 54.840 -0.052 0.000 0.816 1063 L CB -0.268 41.762 42.059 -0.049 0.000 0.967 1063 L HN 0.842 nan 8.230 nan 0.000 0.460 1064 G N -0.963 107.806 108.800 -0.051 0.000 2.328 1064 G HA2 0.427 4.389 3.960 0.002 0.000 0.295 1064 G HA3 0.427 4.389 3.960 0.002 0.000 0.295 1064 G C -2.034 172.838 174.900 -0.046 0.000 1.413 1064 G CA -0.533 44.539 45.100 -0.047 0.000 0.817 1064 G HN -0.305 nan 8.290 nan 0.000 0.546 1065 V N -0.165 119.725 119.914 -0.040 0.000 2.656 1065 V HA 0.585 4.706 4.120 0.002 0.000 0.307 1065 V C -0.102 175.985 176.094 -0.013 0.000 1.051 1065 V CA -0.799 61.483 62.300 -0.030 0.000 0.893 1065 V CB 1.894 33.690 31.823 -0.044 0.000 0.999 1065 V HN 0.736 nan 8.190 nan 0.000 0.426 1066 V N 4.056 123.973 119.914 0.004 0.000 2.320 1066 V HA 0.265 4.387 4.120 0.002 0.000 0.265 1066 V C 0.977 177.083 176.094 0.020 0.000 1.048 1066 V CA 0.497 62.801 62.300 0.007 0.000 0.865 1066 V CB 0.857 32.684 31.823 0.006 0.000 1.043 1066 V HN 1.098 nan 8.190 nan 0.000 0.474 1067 S N 2.202 117.909 115.700 0.012 0.000 2.559 1067 S HA 0.221 4.693 4.470 0.002 0.000 0.226 1067 S C 0.966 175.573 174.600 0.013 0.000 1.030 1067 S CA 0.163 58.375 58.200 0.019 0.000 0.956 1067 S CB 0.050 63.257 63.200 0.010 0.000 0.900 1067 S HN 0.726 nan 8.310 nan 0.000 0.510 1068 K N 1.867 122.270 120.400 0.005 0.000 2.349 1068 K HA 0.637 4.958 4.320 0.002 0.000 0.289 1068 K C 1.005 177.607 176.600 0.002 0.000 1.064 1068 K CA 0.032 56.320 56.287 0.002 0.000 0.947 1068 K CB -0.976 31.522 32.500 -0.003 0.000 1.007 1068 K HN 1.410 nan 8.250 nan 0.000 0.478 1069 G N -0.432 108.370 108.800 0.003 0.000 2.698 1069 G HA2 0.346 4.307 3.960 0.002 0.000 0.233 1069 G HA3 0.346 4.307 3.960 0.002 0.000 0.233 1069 G C 0.045 174.948 174.900 0.006 0.000 1.352 1069 G CA 0.520 45.621 45.100 0.001 0.000 0.879 1069 G HN 1.948 nan 8.290 nan 0.000 0.567 1070 Q N 0.128 119.928 119.800 0.001 0.000 2.345 1070 Q HA 0.847 5.189 4.340 0.002 0.000 0.268 1070 Q C -1.572 174.425 176.000 -0.006 0.000 1.054 1070 Q CA -0.804 55.000 55.803 0.001 0.000 0.835 1070 Q CB 1.482 30.218 28.738 -0.004 0.000 1.339 1070 Q HN 1.166 nan 8.270 nan 0.000 0.447 1071 P HA 0.455 nan 4.420 nan 0.000 0.281 1071 P C -0.665 176.656 177.300 0.036 0.000 1.264 1071 P CA -0.308 62.796 63.100 0.006 0.000 0.824 1071 P CB 1.043 32.739 31.700 -0.006 0.000 1.092 1072 T N 1.626 116.224 114.554 0.074 0.000 2.834 1072 T HA 0.273 4.625 4.350 0.002 0.000 0.298 1072 T C 0.217 175.029 174.700 0.186 0.000 0.966 1072 T CA 0.011 62.199 62.100 0.146 0.000 1.141 1072 T CB -0.316 68.713 68.868 0.268 0.000 0.905 1072 T HN 0.178 nan 8.240 nan 0.000 0.535 1073 L N 3.856 125.157 121.223 0.131 0.000 2.298 1073 L HA 0.475 4.816 4.340 0.002 0.000 0.284 1073 L C -0.337 176.594 176.870 0.102 0.000 1.013 1073 L CA -1.077 53.839 54.840 0.127 0.000 0.824 1073 L CB 1.510 43.602 42.059 0.054 0.000 1.221 1073 L HN 0.339 nan 8.230 nan 0.000 0.418 1074 V N 4.796 124.788 119.914 0.131 0.000 2.320 1074 V HA 0.206 4.327 4.120 0.002 0.000 0.265 1074 V C 0.302 176.401 176.094 0.009 0.000 1.048 1074 V CA -0.489 61.816 62.300 0.007 0.000 0.865 1074 V CB 1.525 33.267 31.823 -0.136 0.000 1.043 1074 V HN 0.428 nan 8.190 nan 0.000 0.474 1075 V N 7.283 127.189 119.914 -0.013 0.000 2.432 1075 V HA 0.520 4.642 4.120 0.002 0.000 0.275 1075 V C 0.175 176.246 176.094 -0.038 0.000 1.043 1075 V CA -0.054 62.238 62.300 -0.013 0.000 0.925 1075 V CB 1.190 33.003 31.823 -0.015 0.000 0.985 1075 V HN 0.809 nan 8.190 nan 0.000 0.466 1076 M N 3.151 122.729 119.600 -0.037 0.000 2.631 1076 M HA 0.449 4.931 4.480 0.002 0.000 0.288 1076 M C -0.335 175.929 176.300 -0.060 0.000 1.260 1076 M CA -0.760 54.506 55.300 -0.057 0.000 0.842 1076 M CB 2.673 35.231 32.600 -0.070 0.000 1.743 1076 M HN 0.793 nan 8.290 nan 0.000 0.461 1077 E N 1.305 121.460 120.200 -0.075 0.000 2.415 1077 E HA 0.226 4.577 4.350 0.002 0.000 0.263 1077 E C -0.929 175.619 176.600 -0.085 0.000 0.995 1077 E CA -0.564 55.784 56.400 -0.087 0.000 0.915 1077 E CB 0.714 30.352 29.700 -0.102 0.000 0.951 1077 E HN 0.431 nan 8.360 nan 0.000 0.449 1078 L N 4.219 125.386 121.223 -0.093 0.000 2.418 1078 L HA 0.084 4.426 4.340 0.002 0.000 0.274 1078 L C -0.491 176.320 176.870 -0.099 0.000 1.135 1078 L CA 0.287 55.076 54.840 -0.086 0.000 0.870 1078 L CB 0.587 42.589 42.059 -0.095 0.000 1.154 1078 L HN 0.674 nan 8.230 nan 0.000 0.462 1079 M N 6.081 125.642 119.600 -0.064 0.000 2.495 1079 M HA 0.249 4.731 4.480 0.002 0.000 0.346 1079 M C 1.225 177.491 176.300 -0.057 0.000 1.251 1079 M CA -0.179 55.092 55.300 -0.049 0.000 1.249 1079 M CB 0.034 32.630 32.600 -0.007 0.000 1.229 1079 M HN 0.804 nan 8.290 nan 0.000 0.450 1080 A N 1.486 124.219 122.820 -0.145 0.000 1.986 1080 A HA -0.184 4.137 4.320 0.002 0.000 0.220 1080 A C 1.525 178.954 177.584 -0.259 0.000 1.171 1080 A CA 1.811 53.706 52.037 -0.238 0.000 0.640 1080 A CB -0.736 18.043 19.000 -0.369 0.000 0.811 1080 A HN 0.832 nan 8.150 nan 0.000 0.451 1081 H N -1.485 117.542 119.070 -0.071 0.000 2.526 1081 H HA 0.396 4.953 4.556 0.002 0.000 0.274 1081 H C 1.505 176.857 175.328 0.041 0.000 0.999 1081 H CA 0.090 56.109 56.048 -0.048 0.000 1.157 1081 H CB 0.114 29.748 29.762 -0.213 0.000 1.407 1081 H HN 0.751 nan 8.280 nan 0.000 0.568 1082 G N 1.497 110.389 108.800 0.154 0.000 2.569 1082 G HA2 -0.348 3.614 3.960 0.002 0.000 0.259 1082 G HA3 -0.348 3.614 3.960 0.002 0.000 0.259 1082 G C -0.349 174.708 174.900 0.260 0.000 1.263 1082 G CA -0.081 45.149 45.100 0.217 0.000 0.928 1082 G HN 0.601 nan 8.290 nan 0.000 0.572 1083 D N -0.502 120.059 120.400 0.268 0.000 2.339 1083 D HA 0.421 5.062 4.640 0.002 0.000 0.245 1083 D C 1.503 177.950 176.300 0.245 0.000 1.115 1083 D CA -0.219 53.950 54.000 0.280 0.000 0.917 1083 D CB 0.968 41.863 40.800 0.159 0.000 1.192 1083 D HN 0.613 nan 8.370 nan 0.000 0.428 1084 L N 1.598 122.955 121.223 0.224 0.000 2.141 1084 L HA -0.066 4.275 4.340 0.002 0.000 0.209 1084 L C 2.108 179.102 176.870 0.208 0.000 1.094 1084 L CA 1.745 56.721 54.840 0.228 0.000 0.763 1084 L CB -0.817 41.352 42.059 0.183 0.000 0.908 1084 L HN 0.691 nan 8.230 nan 0.000 0.437 1085 K N -1.062 119.414 120.400 0.127 0.000 2.002 1085 K HA -0.160 4.161 4.320 0.002 0.000 0.209 1085 K C 2.083 178.774 176.600 0.151 0.000 1.048 1085 K CA 1.817 58.139 56.287 0.059 0.000 0.930 1085 K CB -0.187 32.186 32.500 -0.212 0.000 0.714 1085 K HN 0.332 nan 8.250 nan 0.000 0.438 1086 S N -0.164 115.684 115.700 0.246 0.000 2.383 1086 S HA -0.183 4.289 4.470 0.002 0.000 0.229 1086 S C 1.649 176.371 174.600 0.203 0.000 1.030 1086 S CA 1.377 59.725 58.200 0.247 0.000 1.002 1086 S CB -0.490 62.847 63.200 0.228 0.000 0.829 1086 S HN 0.417 nan 8.310 nan 0.000 0.467 1087 Y N 2.073 122.441 120.300 0.113 0.000 2.163 1087 Y HA -0.018 4.533 4.550 0.002 0.000 0.288 1087 Y C 1.918 177.853 175.900 0.059 0.000 1.136 1087 Y CA 1.112 59.268 58.100 0.094 0.000 1.147 1087 Y CB -0.496 38.033 38.460 0.115 0.000 0.987 1087 Y HN 0.123 nan 8.280 nan 0.000 0.509 1088 L N -0.153 121.102 121.223 0.053 0.000 2.042 1088 L HA -0.267 4.074 4.340 0.002 0.000 0.210 1088 L C 2.589 179.405 176.870 -0.091 0.000 1.076 1088 L CA 1.643 56.451 54.840 -0.053 0.000 0.749 1088 L CB -0.520 41.555 42.059 0.026 0.000 0.893 1088 L HN 0.140 nan 8.230 nan 0.000 0.432 1089 R N -0.287 120.202 120.500 -0.018 0.000 2.152 1089 R HA -0.129 4.212 4.340 0.002 0.000 0.232 1089 R C 2.524 178.795 176.300 -0.048 0.000 1.117 1089 R CA 1.540 57.635 56.100 -0.010 0.000 0.981 1089 R CB -0.377 29.959 30.300 0.060 0.000 0.870 1089 R HN 0.500 nan 8.270 nan 0.000 0.451 1090 S N 0.551 116.200 115.700 -0.086 0.000 2.453 1090 S HA -0.011 4.461 4.470 0.002 0.000 0.231 1090 S C 1.862 176.359 174.600 -0.171 0.000 1.005 1090 S CA 0.586 58.721 58.200 -0.108 0.000 0.949 1090 S CB -0.140 63.003 63.200 -0.094 0.000 0.774 1090 S HN 0.243 nan 8.310 nan 0.000 0.510 1091 L N 0.533 121.607 121.223 -0.248 0.000 2.554 1091 L HA 0.200 4.542 4.340 0.002 0.000 0.226 1091 L C 1.080 177.863 176.870 -0.145 0.000 1.137 1091 L CA -0.017 54.680 54.840 -0.239 0.000 0.863 1091 L CB -0.245 41.626 42.059 -0.314 0.000 0.985 1091 L HN 0.156 nan 8.230 nan 0.000 0.451 1092 R N 1.246 121.680 120.500 -0.111 0.000 2.570 1092 R HA -0.003 4.338 4.340 0.002 0.000 0.277 1092 R C -1.129 175.131 176.300 -0.067 0.000 1.039 1092 R CA -1.098 54.954 56.100 -0.080 0.000 1.065 1092 R CB 0.263 30.529 30.300 -0.058 0.000 0.964 1092 R HN -0.085 nan 8.270 nan 0.000 0.428 1093 P HA -0.211 nan 4.420 nan 0.000 0.216 1093 P C 1.006 178.284 177.300 -0.037 0.000 1.150 1093 P CA 1.792 64.863 63.100 -0.049 0.000 0.837 1093 P CB 0.204 31.877 31.700 -0.044 0.000 0.786 1094 E N 0.398 120.578 120.200 -0.033 0.000 2.216 1094 E HA 0.173 4.525 4.350 0.002 0.000 0.192 1094 E C 1.443 178.032 176.600 -0.019 0.000 0.988 1094 E CA 0.555 56.942 56.400 -0.023 0.000 0.834 1094 E CB -1.172 28.516 29.700 -0.019 0.000 0.772 1094 E HN 0.457 nan 8.360 nan 0.000 0.479 1095 A N 0.902 123.708 122.820 -0.024 0.000 2.584 1095 A HA 0.117 4.439 4.320 0.002 0.000 0.239 1095 A C 0.941 178.518 177.584 -0.012 0.000 1.043 1095 A CA 0.586 52.613 52.037 -0.018 0.000 0.756 1095 A CB -0.023 18.960 19.000 -0.028 0.000 0.963 1095 A HN 0.520 nan 8.150 nan 0.000 0.511 1096 E N 1.321 121.519 120.200 -0.003 0.000 2.208 1096 E HA -0.151 4.201 4.350 0.002 0.000 0.193 1096 E C 0.660 177.264 176.600 0.005 0.000 0.988 1096 E CA 1.090 57.490 56.400 0.001 0.000 0.828 1096 E CB -0.022 29.681 29.700 0.005 0.000 0.763 1096 E HN 0.890 nan 8.360 nan 0.000 0.478 1097 N N 1.086 119.790 118.700 0.007 0.000 2.378 1097 N HA -0.065 4.676 4.740 0.002 0.000 0.243 1097 N C -0.365 175.149 175.510 0.007 0.000 1.137 1097 N CA -0.026 53.034 53.050 0.017 0.000 0.862 1097 N CB -0.297 38.208 38.487 0.030 0.000 1.116 1097 N HN -0.070 nan 8.380 nan 0.000 0.499 1098 N N 2.585 121.279 118.700 -0.009 0.000 2.434 1098 N HA 0.022 4.764 4.740 0.002 0.000 0.268 1098 N C -1.299 174.206 175.510 -0.008 0.000 1.256 1098 N CA -0.704 52.328 53.050 -0.029 0.000 0.914 1098 N CB 1.063 39.529 38.487 -0.035 0.000 1.088 1098 N HN 0.209 nan 8.380 nan 0.000 0.478 1099 P HA 0.081 nan 4.420 nan 0.000 0.242 1099 P C 0.391 177.711 177.300 0.032 0.000 1.197 1099 P CA 0.524 63.650 63.100 0.043 0.000 0.765 1099 P CB 0.120 31.868 31.700 0.080 0.000 0.936 1100 G N 0.974 109.773 108.800 -0.001 0.000 2.140 1100 G HA2 -0.191 3.770 3.960 0.002 0.000 0.211 1100 G HA3 -0.191 3.770 3.960 0.002 0.000 0.211 1100 G C -0.099 174.789 174.900 -0.020 0.000 1.013 1100 G CA -0.158 44.940 45.100 -0.004 0.000 0.705 1100 G HN 0.689 nan 8.290 nan 0.000 0.508 1101 R N -0.783 119.689 120.500 -0.047 0.000 2.725 1101 R HA 0.804 5.145 4.340 0.002 0.000 0.277 1101 R C -2.588 173.657 176.300 -0.091 0.000 0.987 1101 R CA -1.861 54.197 56.100 -0.070 0.000 0.901 1101 R CB 1.500 31.745 30.300 -0.092 0.000 1.207 1101 R HN 0.060 nan 8.270 nan 0.000 0.463 1102 P HA 0.121 nan 4.420 nan 0.000 0.271 1102 P C -2.373 174.862 177.300 -0.108 0.000 1.238 1102 P CA -0.966 62.083 63.100 -0.085 0.000 0.794 1102 P CB -0.346 31.311 31.700 -0.072 0.000 0.959 1103 P HA 0.133 nan 4.420 nan 0.000 0.271 1103 P C -2.294 174.949 177.300 -0.094 0.000 1.238 1103 P CA -0.695 62.339 63.100 -0.109 0.000 0.794 1103 P CB -1.362 30.280 31.700 -0.097 0.000 0.959 1104 P HA 0.045 nan 4.420 nan 0.000 0.268 1104 P C -0.015 177.249 177.300 -0.061 0.000 1.204 1104 P CA 0.185 63.249 63.100 -0.060 0.000 0.768 1104 P CB -0.099 31.579 31.700 -0.037 0.000 0.842 1105 T N 0.472 114.993 114.554 -0.056 0.000 2.788 1105 T HA 0.097 4.449 4.350 0.002 0.000 0.287 1105 T C 1.125 175.797 174.700 -0.047 0.000 1.007 1105 T CA -0.642 61.427 62.100 -0.051 0.000 1.005 1105 T CB 0.305 69.146 68.868 -0.046 0.000 1.012 1105 T HN 0.145 nan 8.240 nan 0.000 0.530 1106 L N 0.422 121.618 121.223 -0.046 0.000 2.012 1106 L HA -0.093 4.248 4.340 0.002 0.000 0.210 1106 L C 2.773 179.618 176.870 -0.040 0.000 1.073 1106 L CA 1.848 56.661 54.840 -0.046 0.000 0.748 1106 L CB -1.267 40.766 42.059 -0.045 0.000 0.891 1106 L HN 0.868 nan 8.230 nan 0.000 0.431 1107 Q N 0.017 119.797 119.800 -0.034 0.000 2.096 1107 Q HA -0.263 4.079 4.340 0.002 0.000 0.204 1107 Q C 2.106 178.094 176.000 -0.020 0.000 0.982 1107 Q CA 2.272 58.059 55.803 -0.026 0.000 0.850 1107 Q CB -0.133 28.595 28.738 -0.016 0.000 0.901 1107 Q HN 0.709 nan 8.270 nan 0.000 0.422 1108 E N -0.371 119.817 120.200 -0.020 0.000 2.110 1108 E HA -0.144 4.207 4.350 0.002 0.000 0.193 1108 E C 2.175 178.772 176.600 -0.005 0.000 0.988 1108 E CA 1.183 57.577 56.400 -0.010 0.000 0.804 1108 E CB -0.057 29.629 29.700 -0.023 0.000 0.745 1108 E HN 0.397 nan 8.360 nan 0.000 0.458 1109 M N 0.174 119.761 119.600 -0.021 0.000 2.132 1109 M HA -0.148 4.333 4.480 0.002 0.000 0.263 1109 M C 2.085 178.370 176.300 -0.025 0.000 1.065 1109 M CA 0.945 56.229 55.300 -0.026 0.000 1.122 1109 M CB -0.113 32.458 32.600 -0.048 0.000 1.365 1109 M HN 0.126 nan 8.290 nan 0.000 0.411 1110 I N 0.308 120.857 120.570 -0.036 0.000 2.179 1110 I HA -0.265 3.906 4.170 0.002 0.000 0.242 1110 I C 2.479 178.562 176.117 -0.058 0.000 1.088 1110 I CA 1.653 62.923 61.300 -0.049 0.000 1.357 1110 I CB -1.438 36.524 38.000 -0.064 0.000 1.051 1110 I HN 0.341 nan 8.210 nan 0.000 0.409 1111 Q N 0.874 120.649 119.800 -0.042 0.000 2.030 1111 Q HA -0.177 4.164 4.340 0.002 0.000 0.204 1111 Q C 2.326 178.331 176.000 0.007 0.000 0.986 1111 Q CA 1.870 57.654 55.803 -0.031 0.000 0.843 1111 Q CB -0.268 28.483 28.738 0.021 0.000 0.904 1111 Q HN 0.396 nan 8.270 nan 0.000 0.420 1112 M N -0.700 118.922 119.600 0.036 0.000 2.082 1112 M HA -0.234 4.247 4.480 0.002 0.000 0.258 1112 M C 2.155 178.511 176.300 0.094 0.000 1.069 1112 M CA 1.745 57.087 55.300 0.070 0.000 1.102 1112 M CB -0.503 32.137 32.600 0.067 0.000 1.336 1112 M HN 0.380 nan 8.290 nan 0.000 0.404 1113 A N 0.213 123.083 122.820 0.083 0.000 1.883 1113 A HA -0.120 4.202 4.320 0.002 0.000 0.217 1113 A C 2.330 180.055 177.584 0.234 0.000 1.186 1113 A CA 2.133 54.288 52.037 0.196 0.000 0.624 1113 A CB -1.012 18.067 19.000 0.132 0.000 0.822 1113 A HN 0.537 nan 8.150 nan 0.000 0.444 1114 A N -0.367 122.477 122.820 0.040 0.000 1.898 1114 A HA -0.144 4.177 4.320 0.002 0.000 0.216 1114 A C 1.919 179.513 177.584 0.016 0.000 1.181 1114 A CA 1.614 53.612 52.037 -0.066 0.000 0.620 1114 A CB -0.539 18.227 19.000 -0.390 0.000 0.819 1114 A HN 0.638 nan 8.150 nan 0.000 0.442 1115 E N -0.245 119.948 120.200 -0.013 0.000 2.051 1115 E HA -0.175 4.176 4.350 0.002 0.000 0.192 1115 E C 1.883 178.463 176.600 -0.033 0.000 0.991 1115 E CA 1.386 57.677 56.400 -0.181 0.000 0.799 1115 E CB -0.334 29.343 29.700 -0.039 0.000 0.748 1115 E HN 0.693 nan 8.360 nan 0.000 0.449 1116 I N 1.163 121.800 120.570 0.112 0.000 2.179 1116 I HA -0.283 3.889 4.170 0.002 0.000 0.242 1116 I C 2.536 178.699 176.117 0.076 0.000 1.088 1116 I CA 1.101 62.505 61.300 0.173 0.000 1.357 1116 I CB -0.294 37.916 38.000 0.351 0.000 1.051 1116 I HN 0.088 nan 8.210 nan 0.000 0.409 1117 A N 0.084 122.947 122.820 0.072 0.000 1.933 1117 A HA -0.285 4.036 4.320 0.002 0.000 0.218 1117 A C 1.977 179.574 177.584 0.022 0.000 1.175 1117 A CA 2.274 54.260 52.037 -0.085 0.000 0.628 1117 A CB -0.688 18.242 19.000 -0.117 0.000 0.814 1117 A HN 0.465 nan 8.150 nan 0.000 0.444 1118 D N -0.839 119.628 120.400 0.112 0.000 2.117 1118 D HA -0.010 4.632 4.640 0.002 0.000 0.198 1118 D C 2.007 178.426 176.300 0.197 0.000 0.982 1118 D CA 1.543 55.693 54.000 0.250 0.000 0.828 1118 D CB -0.380 40.603 40.800 0.305 0.000 0.967 1118 D HN 0.285 nan 8.370 nan 0.000 0.464 1119 G N 0.179 109.043 108.800 0.107 0.000 2.418 1119 G HA2 -0.237 3.725 3.960 0.002 0.000 0.217 1119 G HA3 -0.237 3.725 3.960 0.002 0.000 0.217 1119 G C 1.522 176.361 174.900 -0.102 0.000 1.158 1119 G CA 0.767 45.891 45.100 0.039 0.000 0.771 1119 G HN 0.175 nan 8.290 nan 0.000 0.545 1120 M N 1.150 120.582 119.600 -0.280 0.000 2.175 1120 M HA 0.088 4.569 4.480 0.002 0.000 0.264 1120 M C 2.984 179.014 176.300 -0.450 0.000 1.063 1120 M CA 1.088 56.016 55.300 -0.619 0.000 1.119 1120 M CB -1.210 30.423 32.600 -1.613 0.000 1.377 1120 M HN 0.325 nan 8.290 nan 0.000 0.415 1121 A N -0.823 121.897 122.820 -0.167 0.000 1.902 1121 A HA -0.228 4.093 4.320 0.002 0.000 0.217 1121 A C 2.157 179.627 177.584 -0.190 0.000 1.181 1121 A CA 1.487 53.587 52.037 0.105 0.000 0.623 1121 A CB -1.154 18.097 19.000 0.418 0.000 0.818 1121 A HN 0.508 nan 8.150 nan 0.000 0.443 1122 Y N 0.516 120.463 120.300 -0.588 0.000 2.145 1122 Y HA -0.177 4.374 4.550 0.002 0.000 0.286 1122 Y C 1.968 177.458 175.900 -0.683 0.000 1.145 1122 Y CA 1.967 59.387 58.100 -1.132 0.000 1.148 1122 Y CB -0.310 37.688 38.460 -0.770 0.000 0.981 1122 Y HN 0.215 nan 8.280 nan 0.000 0.507 1123 L N 0.194 121.154 121.223 -0.439 0.000 2.046 1123 L HA -0.242 4.099 4.340 0.002 0.000 0.208 1123 L C 2.333 179.064 176.870 -0.231 0.000 1.077 1123 L CA 1.737 56.314 54.840 -0.439 0.000 0.747 1123 L CB -0.760 41.164 42.059 -0.225 0.000 0.896 1123 L HN 0.295 nan 8.230 nan 0.000 0.432 1124 N N 0.546 119.162 118.700 -0.141 0.000 2.166 1124 N HA -0.178 4.564 4.740 0.002 0.000 0.186 1124 N C 1.742 177.212 175.510 -0.067 0.000 1.019 1124 N CA 1.507 54.550 53.050 -0.013 0.000 0.856 1124 N CB -0.059 38.495 38.487 0.113 0.000 0.993 1124 N HN 0.273 nan 8.380 nan 0.000 0.426 1125 A N -0.099 122.604 122.820 -0.196 0.000 2.070 1125 A HA -0.048 4.273 4.320 0.002 0.000 0.220 1125 A C 1.680 179.136 177.584 -0.213 0.000 1.159 1125 A CA 1.089 53.021 52.037 -0.175 0.000 0.656 1125 A CB -0.197 18.669 19.000 -0.223 0.000 0.800 1125 A HN 0.149 nan 8.150 nan 0.000 0.453 1126 K N -0.393 119.821 120.400 -0.311 0.000 2.417 1126 K HA 0.129 4.451 4.320 0.002 0.000 0.196 1126 K C -0.181 176.423 176.600 0.007 0.000 1.023 1126 K CA 0.112 56.291 56.287 -0.179 0.000 1.122 1126 K CB 0.024 32.355 32.500 -0.280 0.000 0.850 1126 K HN 0.560 nan 8.250 nan 0.000 0.521 1127 K N 0.279 120.687 120.400 0.013 0.000 3.096 1127 K HA -0.209 4.112 4.320 0.002 0.000 0.266 1127 K C -0.473 176.207 176.600 0.135 0.000 1.043 1127 K CA 0.290 56.617 56.287 0.067 0.000 0.758 1127 K CB -1.694 30.839 32.500 0.055 0.000 1.260 1127 K HN 0.091 nan 8.250 nan 0.000 0.481 1128 F N 0.443 120.377 119.950 -0.028 0.000 2.421 1128 F HA 0.437 4.966 4.527 0.003 0.000 0.337 1128 F C 0.029 175.843 175.800 0.024 0.000 1.105 1128 F CA -0.844 57.157 58.000 0.003 0.000 1.049 1128 F CB 1.226 40.198 39.000 -0.047 0.000 1.139 1128 F HN -0.194 nan 8.300 nan 0.000 0.479 1129 V N 6.674 126.315 119.914 -0.455 0.000 2.409 1129 V HA 0.128 4.250 4.120 0.002 0.000 0.291 1129 V C 0.931 176.754 176.094 -0.453 0.000 1.020 1129 V CA -0.531 61.629 62.300 -0.234 0.000 0.848 1129 V CB 1.061 32.839 31.823 -0.075 0.000 0.990 1129 V HN 0.879 nan 8.190 nan 0.000 0.430 1130 H N 4.751 123.732 119.070 -0.148 0.000 2.326 1130 H HA -0.041 4.517 4.556 0.002 0.000 0.301 1130 H C 1.677 176.962 175.328 -0.071 0.000 1.081 1130 H CA 2.197 58.235 56.048 -0.016 0.000 1.334 1130 H CB 0.392 30.258 29.762 0.173 0.000 1.385 1130 H HN 0.743 nan 8.280 nan 0.000 0.504 1131 R N -1.180 119.424 120.500 0.174 0.000 3.746 1131 R HA -0.177 4.164 4.340 0.002 0.000 0.465 1131 R C -0.202 176.196 176.300 0.164 0.000 0.725 1131 R CA 1.413 57.506 56.100 -0.012 0.000 1.545 1131 R CB -1.293 28.715 30.300 -0.486 0.000 2.197 1131 R HN 0.315 nan 8.270 nan 0.000 0.438 1132 D N 0.056 120.715 120.400 0.433 0.000 2.865 1132 D HA 0.143 4.784 4.640 0.002 0.000 0.347 1132 D C -1.031 175.367 176.300 0.163 0.000 1.498 1132 D CA -0.419 53.781 54.000 0.333 0.000 0.787 1132 D CB 0.336 41.321 40.800 0.308 0.000 1.190 1132 D HN 0.021 nan 8.370 nan 0.000 0.445 1133 L N 1.690 122.920 121.223 0.012 0.000 2.462 1133 L HA 0.550 4.892 4.340 0.002 0.000 0.272 1133 L C -0.380 176.504 176.870 0.023 0.000 1.166 1133 L CA 0.418 55.161 54.840 -0.162 0.000 0.880 1133 L CB 0.324 42.385 42.059 0.004 0.000 1.142 1133 L HN 0.219 nan 8.230 nan 0.000 0.473 1134 A N 3.820 126.615 122.820 -0.041 0.000 2.583 1134 A HA 0.636 4.957 4.320 0.002 0.000 0.292 1134 A C 0.421 178.012 177.584 0.011 0.000 1.045 1134 A CA -0.173 51.809 52.037 -0.092 0.000 0.672 1134 A CB 0.032 18.565 19.000 -0.779 0.000 1.283 1134 A HN 1.103 nan 8.150 nan 0.000 0.419 1135 A N 1.031 123.919 122.820 0.113 0.000 1.948 1135 A HA -0.175 4.146 4.320 0.002 0.000 0.220 1135 A C 1.959 179.573 177.584 0.050 0.000 1.177 1135 A CA 2.191 54.291 52.037 0.105 0.000 0.636 1135 A CB -0.636 18.448 19.000 0.139 0.000 0.815 1135 A HN 1.283 nan 8.150 nan 0.000 0.449 1136 R N -0.996 119.453 120.500 -0.085 0.000 2.241 1136 R HA -0.062 4.280 4.340 0.002 0.000 0.224 1136 R C 0.762 177.157 176.300 0.158 0.000 1.101 1136 R CA 1.661 57.704 56.100 -0.095 0.000 0.995 1136 R CB -0.406 29.670 30.300 -0.374 0.000 0.870 1136 R HN 0.383 nan 8.270 nan 0.000 0.463 1137 N N -0.056 118.753 118.700 0.182 0.000 2.254 1137 N HA 0.088 4.830 4.740 0.002 0.000 0.190 1137 N C -0.382 175.280 175.510 0.253 0.000 1.107 1137 N CA 0.005 53.255 53.050 0.333 0.000 0.869 1137 N CB 0.404 39.045 38.487 0.256 0.000 0.983 1137 N HN 0.129 nan 8.380 nan 0.000 0.487 1138 C N 1.500 120.915 119.300 0.192 0.000 2.539 1138 C HA 0.463 4.924 4.460 0.002 0.000 0.392 1138 C C 0.651 175.765 174.990 0.208 0.000 1.269 1138 C CA -0.462 58.654 59.018 0.163 0.000 2.250 1138 C CB -0.123 27.700 27.740 0.139 0.000 2.584 1138 C HN 0.233 nan 8.230 nan 0.000 0.589 1139 M N 1.982 121.673 119.600 0.151 0.000 2.602 1139 M HA 0.528 5.010 4.480 0.002 0.000 0.312 1139 M C -1.045 175.311 176.300 0.092 0.000 1.181 1139 M CA -0.567 54.824 55.300 0.151 0.000 0.910 1139 M CB 1.822 34.484 32.600 0.103 0.000 1.723 1139 M HN 0.291 nan 8.290 nan 0.000 0.459 1140 V N 1.718 121.676 119.914 0.074 0.000 2.384 1140 V HA 0.637 4.759 4.120 0.002 0.000 0.287 1140 V C 0.290 176.382 176.094 -0.004 0.000 1.020 1140 V CA -0.708 61.597 62.300 0.008 0.000 0.850 1140 V CB 1.050 32.803 31.823 -0.117 0.000 0.987 1140 V HN 1.013 nan 8.190 nan 0.000 0.436 1141 A N 3.701 126.513 122.820 -0.012 0.000 2.250 1141 A HA 0.396 4.717 4.320 0.002 0.000 0.283 1141 A C 1.465 179.010 177.584 -0.065 0.000 1.206 1141 A CA 0.317 52.358 52.037 0.007 0.000 0.840 1141 A CB -0.022 19.034 19.000 0.093 0.000 1.220 1141 A HN 1.076 nan 8.150 nan 0.000 0.505 1142 H N 0.016 118.929 119.070 -0.263 0.000 2.352 1142 H HA -0.148 4.409 4.556 0.002 0.000 0.299 1142 H C 0.686 175.794 175.328 -0.366 0.000 1.097 1142 H CA 1.900 57.746 56.048 -0.337 0.000 1.311 1142 H CB -0.809 28.823 29.762 -0.217 0.000 1.377 1142 H HN 0.671 nan 8.280 nan 0.000 0.504 1143 D N -1.055 118.915 120.400 -0.715 0.000 2.328 1143 D HA -0.020 4.621 4.640 0.002 0.000 0.221 1143 D C 0.160 176.435 176.300 -0.042 0.000 1.072 1143 D CA -0.390 53.351 54.000 -0.432 0.000 0.850 1143 D CB -0.776 39.726 40.800 -0.497 0.000 0.922 1143 D HN 0.341 nan 8.370 nan 0.000 0.516 1144 F N -1.221 118.698 119.950 -0.052 0.000 2.699 1144 F HA -0.249 4.279 4.527 0.002 0.000 0.343 1144 F C 0.396 176.175 175.800 -0.035 0.000 0.633 1144 F CA 0.711 58.667 58.000 -0.072 0.000 1.365 1144 F CB -2.670 36.269 39.000 -0.102 0.000 1.795 1144 F HN -0.127 nan 8.300 nan 0.000 0.304 1145 T N 1.997 116.612 114.554 0.101 0.000 2.908 1145 T HA 0.364 4.715 4.350 0.002 0.000 0.301 1145 T C 0.517 175.280 174.700 0.105 0.000 1.019 1145 T CA -0.026 62.148 62.100 0.124 0.000 1.152 1145 T CB 1.086 70.022 68.868 0.114 0.000 0.966 1145 T HN 0.066 nan 8.240 nan 0.000 0.540 1146 V N 5.103 125.100 119.914 0.139 0.000 2.472 1146 V HA 0.468 4.590 4.120 0.002 0.000 0.290 1146 V C 0.234 176.409 176.094 0.134 0.000 1.037 1146 V CA -0.546 61.825 62.300 0.119 0.000 0.908 1146 V CB 1.439 33.334 31.823 0.121 0.000 0.985 1146 V HN 0.765 nan 8.190 nan 0.000 0.454 1147 K N 4.012 124.469 120.400 0.094 0.000 2.477 1147 K HA 0.593 4.915 4.320 0.002 0.000 0.255 1147 K C -1.330 175.307 176.600 0.063 0.000 0.952 1147 K CA -0.989 55.343 56.287 0.075 0.000 0.826 1147 K CB 2.463 34.964 32.500 0.002 0.000 1.331 1147 K HN 0.347 nan 8.250 nan 0.000 0.437 1148 I N 2.269 122.870 120.570 0.052 0.000 2.533 1148 I HA 0.183 4.355 4.170 0.002 0.000 0.284 1148 I C 0.863 177.013 176.117 0.054 0.000 1.109 1148 I CA 0.446 61.781 61.300 0.058 0.000 1.412 1148 I CB -0.045 37.984 38.000 0.048 0.000 1.396 1148 I HN 0.792 nan 8.210 nan 0.000 0.543 1149 G N 4.628 113.480 108.800 0.087 0.000 3.105 1149 G HA2 0.563 4.524 3.960 0.002 0.000 0.277 1149 G HA3 0.563 4.524 3.960 0.002 0.000 0.277 1149 G C -1.650 173.340 174.900 0.150 0.000 1.375 1149 G CA -0.224 44.885 45.100 0.015 0.000 0.962 1149 G HN 0.482 nan 8.290 nan 0.000 0.541 1150 D N -1.163 119.218 120.400 -0.032 0.000 2.354 1150 D HA 0.250 4.892 4.640 0.002 0.000 0.230 1150 D C -0.211 176.048 176.300 -0.069 0.000 1.361 1150 D CA -0.641 53.397 54.000 0.064 0.000 0.992 1150 D CB 0.755 41.572 40.800 0.027 0.000 1.409 1150 D HN 0.088 nan 8.370 nan 0.000 0.573 1151 F N 2.132 122.115 119.950 0.055 0.000 2.558 1151 F HA 0.307 4.836 4.527 0.002 0.000 0.298 1151 F C 1.988 177.742 175.800 -0.077 0.000 1.119 1151 F CA 1.149 59.150 58.000 0.002 0.000 1.451 1151 F CB 0.083 39.104 39.000 0.035 0.000 1.091 1151 F HN 0.604 nan 8.300 nan 0.000 0.563 1152 G N 0.298 109.157 108.800 0.098 0.000 2.627 1152 G HA2 -0.235 3.726 3.960 0.002 0.000 0.214 1152 G HA3 -0.235 3.726 3.960 0.002 0.000 0.214 1152 G C 0.278 175.137 174.900 -0.069 0.000 1.331 1152 G CA -0.131 44.935 45.100 -0.057 0.000 0.891 1152 G HN 0.061 nan 8.290 nan 0.000 0.539 1153 M N 0.527 119.973 119.600 -0.255 0.000 2.337 1153 M HA 0.162 4.644 4.480 0.002 0.000 0.256 1153 M C 2.167 178.184 176.300 -0.473 0.000 1.075 1153 M CA 1.319 56.239 55.300 -0.634 0.000 1.024 1153 M CB 0.512 32.614 32.600 -0.830 0.000 1.429 1153 M HN 0.804 nan 8.290 nan 0.000 0.497 1154 T N -2.178 112.236 114.554 -0.233 0.000 3.069 1154 T HA 0.267 4.618 4.350 0.002 0.000 0.252 1154 T C 0.691 175.348 174.700 -0.073 0.000 1.053 1154 T CA -0.412 61.610 62.100 -0.131 0.000 0.964 1154 T CB 0.050 68.876 68.868 -0.071 0.000 1.005 1154 T HN 0.190 nan 8.240 nan 0.000 0.532 1155 R N 1.943 122.406 120.500 -0.063 0.000 2.585 1155 R HA 0.092 4.434 4.340 0.002 0.000 0.275 1155 R C 0.396 176.667 176.300 -0.048 0.000 1.018 1155 R CA -0.140 55.924 56.100 -0.060 0.000 1.072 1155 R CB 0.368 30.617 30.300 -0.085 0.000 0.953 1155 R HN 0.205 nan 8.270 nan 0.000 0.419 1156 D N 2.357 122.718 120.400 -0.065 0.000 2.144 1156 D HA -0.180 4.462 4.640 0.002 0.000 0.199 1156 D C 1.594 177.843 176.300 -0.085 0.000 0.984 1156 D CA 1.083 55.053 54.000 -0.050 0.000 0.834 1156 D CB -0.044 40.727 40.800 -0.049 0.000 0.955 1156 D HN 0.558 nan 8.370 nan 0.000 0.465 1157 I N -0.426 120.017 120.570 -0.212 0.000 2.264 1157 I HA -0.300 3.871 4.170 0.002 0.000 0.248 1157 I C 0.461 176.313 176.117 -0.442 0.000 1.111 1157 I CA 1.360 62.410 61.300 -0.417 0.000 1.382 1157 I CB 0.130 37.722 38.000 -0.679 0.000 1.060 1157 I HN -0.016 nan 8.210 nan 0.000 0.418 1158 Y N 0.411 120.741 120.300 0.049 0.000 2.736 1158 Y HA 0.258 4.809 4.550 0.002 0.000 0.293 1158 Y C 1.472 177.489 175.900 0.194 0.000 1.062 1158 Y CA -0.871 57.288 58.100 0.098 0.000 1.247 1158 Y CB -0.623 37.876 38.460 0.065 0.000 1.200 1158 Y HN 0.121 nan 8.280 nan 0.000 0.552 1159 E N 0.259 120.610 120.200 0.252 0.000 2.086 1159 E HA -0.239 4.113 4.350 0.002 0.000 0.200 1159 E C 1.859 178.643 176.600 0.308 0.000 1.012 1159 E CA 2.365 58.916 56.400 0.252 0.000 0.812 1159 E CB 0.126 29.913 29.700 0.145 0.000 0.743 1159 E HN 0.564 nan 8.360 nan 0.000 0.453 1160 T N -1.282 113.424 114.554 0.253 0.000 3.072 1160 T HA -0.077 4.274 4.350 0.002 0.000 0.266 1160 T C 0.952 175.789 174.700 0.228 0.000 1.127 1160 T CA 0.876 63.112 62.100 0.227 0.000 1.107 1160 T CB -0.055 68.922 68.868 0.182 0.000 0.910 1160 T HN -0.059 nan 8.240 nan 0.000 0.513 1161 D N 0.416 120.936 120.400 0.201 0.000 2.378 1161 D HA 0.135 4.777 4.640 0.002 0.000 0.227 1161 D C -0.584 175.545 176.300 -0.284 0.000 1.012 1161 D CA 0.530 54.530 54.000 -0.000 0.000 0.905 1161 D CB -0.111 40.505 40.800 -0.306 0.000 0.895 1161 D HN 0.570 nan 8.370 nan 0.000 0.532 1162 Y N -1.031 119.402 120.300 0.221 0.000 2.477 1162 Y HA 0.412 4.963 4.550 0.002 0.000 0.347 1162 Y C -0.814 175.253 175.900 0.279 0.000 0.981 1162 Y CA -1.400 56.831 58.100 0.219 0.000 1.033 1162 Y CB 1.571 40.117 38.460 0.145 0.000 1.245 1162 Y HN -0.249 nan 8.280 nan 0.000 0.455 1163 Y N 2.030 122.489 120.300 0.265 0.000 2.406 1163 Y HA 0.485 5.035 4.550 0.001 0.000 0.340 1163 Y C -0.446 175.549 175.900 0.158 0.000 0.975 1163 Y CA -1.932 56.274 58.100 0.177 0.000 1.056 1163 Y CB 1.543 40.082 38.460 0.133 0.000 1.210 1163 Y HN 0.671 nan 8.280 nan 0.000 0.448 1164 R N 5.778 126.019 120.500 -0.432 0.000 3.266 1164 R HA 0.167 4.509 4.340 0.002 0.000 0.224 1164 R C -0.345 175.581 176.300 -0.623 0.000 1.525 1164 R CA -0.369 55.511 56.100 -0.368 0.000 1.364 1164 R CB -0.290 29.882 30.300 -0.212 0.000 1.276 1164 R HN 0.695 nan 8.270 nan 0.000 0.660 1165 K N 2.193 122.334 120.400 -0.432 0.000 2.326 1165 K HA 0.345 4.666 4.320 0.002 0.000 0.275 1165 K C 0.225 176.759 176.600 -0.110 0.000 1.018 1165 K CA 0.354 56.486 56.287 -0.259 0.000 0.962 1165 K CB 0.910 33.467 32.500 0.096 0.000 0.953 1165 K HN 0.479 nan 8.250 nan 0.000 0.475 1169 G N 0.085 108.890 108.800 0.009 0.000 2.476 1169 G HA2 0.552 4.513 3.960 0.002 0.000 0.286 1169 G HA3 0.552 4.513 3.960 0.002 0.000 0.286 1169 G C 0.074 174.994 174.900 0.034 0.000 1.177 1169 G CA -0.576 44.536 45.100 0.019 0.000 0.870 1169 G HN 0.692 nan 8.290 nan 0.000 0.528 1170 L N 0.195 121.441 121.223 0.037 0.000 2.540 1170 L HA 0.186 4.528 4.340 0.002 0.000 0.276 1170 L C 0.059 177.041 176.870 0.186 0.000 1.212 1170 L CA 0.420 55.314 54.840 0.090 0.000 0.893 1170 L CB 0.216 42.284 42.059 0.015 0.000 1.138 1170 L HN 0.202 nan 8.230 nan 0.000 0.491 1171 L N 5.624 127.032 121.223 0.309 0.000 2.422 1171 L HA 0.420 4.761 4.340 0.002 0.000 0.264 1171 L C -2.243 174.888 176.870 0.435 0.000 0.984 1171 L CA -1.620 53.443 54.840 0.371 0.000 0.819 1171 L CB 2.768 45.006 42.059 0.299 0.000 1.330 1171 L HN 0.369 nan 8.230 nan 0.000 0.410 1172 P HA 0.025 nan 4.420 nan 0.000 0.225 1172 P C 0.971 178.481 177.300 0.351 0.000 1.813 1172 P CA -0.207 62.986 63.100 0.154 0.000 1.013 1172 P CB 0.202 31.926 31.700 0.041 0.000 1.961 1173 V N 0.894 120.997 119.914 0.314 0.000 2.490 1173 V HA -0.203 3.918 4.120 0.002 0.000 0.250 1173 V C 2.033 178.258 176.094 0.219 0.000 1.061 1173 V CA 1.220 63.668 62.300 0.246 0.000 1.064 1173 V CB -1.364 30.578 31.823 0.198 0.000 0.670 1173 V HN 0.160 nan 8.190 nan 0.000 0.461 1174 R N -1.158 119.514 120.500 0.286 0.000 2.316 1174 R HA 0.036 4.378 4.340 0.002 0.000 0.202 1174 R C 1.741 178.058 176.300 0.028 0.000 1.029 1174 R CA 1.377 57.553 56.100 0.127 0.000 1.018 1174 R CB -0.170 30.084 30.300 -0.076 0.000 0.888 1174 R HN 0.644 nan 8.270 nan 0.000 0.471 1175 W N -0.342 121.080 121.300 0.202 0.000 3.008 1175 W HA 0.289 4.950 4.660 0.002 0.000 0.355 1175 W C 0.101 176.854 176.519 0.390 0.000 1.095 1175 W CA -0.498 57.019 57.345 0.287 0.000 1.738 1175 W CB 0.360 29.942 29.460 0.203 0.000 1.091 1175 W HN -0.009 nan 8.180 nan 0.000 0.574 1176 M N 0.544 120.384 119.600 0.400 0.000 2.249 1176 M HA 0.392 4.873 4.480 0.002 0.000 0.351 1176 M C 0.644 176.707 176.300 -0.394 0.000 1.180 1176 M CA -0.206 55.181 55.300 0.145 0.000 1.127 1176 M CB 1.329 33.994 32.600 0.109 0.000 1.546 1176 M HN -0.255 nan 8.290 nan 0.000 0.461 1177 A N 4.383 126.805 122.820 -0.664 0.000 2.425 1177 A HA 0.304 4.625 4.320 0.002 0.000 0.242 1177 A C -1.616 175.402 177.584 -0.943 0.000 1.077 1177 A CA -1.209 50.036 52.037 -1.320 0.000 0.781 1177 A CB -0.469 18.145 19.000 -0.642 0.000 1.020 1177 A HN 0.666 nan 8.150 nan 0.000 0.494 1178 P HA -0.219 nan 4.420 nan 0.000 0.216 1178 P C 1.041 178.037 177.300 -0.506 0.000 1.150 1178 P CA 1.701 64.399 63.100 -0.670 0.000 0.837 1178 P CB 0.058 31.309 31.700 -0.749 0.000 0.786 1179 E N 0.107 119.984 120.200 -0.538 0.000 2.208 1179 E HA -0.060 4.291 4.350 0.002 0.000 0.193 1179 E C 1.733 178.123 176.600 -0.350 0.000 0.988 1179 E CA 1.010 57.182 56.400 -0.381 0.000 0.828 1179 E CB -1.058 28.442 29.700 -0.333 0.000 0.763 1179 E HN 0.147 nan 8.360 nan 0.000 0.478 1180 S N 1.126 116.565 115.700 -0.435 0.000 2.387 1180 S HA 0.059 4.530 4.470 0.002 0.000 0.226 1180 S C 2.111 176.475 174.600 -0.393 0.000 1.026 1180 S CA 0.675 58.538 58.200 -0.560 0.000 0.972 1180 S CB -0.195 62.569 63.200 -0.728 0.000 0.814 1180 S HN 0.197 nan 8.310 nan 0.000 0.477 1181 L N 1.068 122.113 121.223 -0.295 0.000 2.141 1181 L HA -0.036 4.305 4.340 0.002 0.000 0.209 1181 L C 2.513 179.304 176.870 -0.132 0.000 1.094 1181 L CA 1.131 55.868 54.840 -0.172 0.000 0.763 1181 L CB -0.285 41.675 42.059 -0.165 0.000 0.908 1181 L HN 0.239 nan 8.230 nan 0.000 0.437 1182 K N -0.234 120.071 120.400 -0.159 0.000 2.044 1182 K HA -0.096 4.226 4.320 0.002 0.000 0.204 1182 K C 1.269 177.812 176.600 -0.096 0.000 1.045 1182 K CA 1.281 57.504 56.287 -0.106 0.000 0.951 1182 K CB 0.232 32.673 32.500 -0.099 0.000 0.738 1182 K HN 0.210 nan 8.250 nan 0.000 0.443 1183 D N -1.336 118.985 120.400 -0.132 0.000 2.366 1183 D HA 0.078 4.720 4.640 0.002 0.000 0.205 1183 D C 0.877 177.111 176.300 -0.109 0.000 1.022 1183 D CA 0.930 54.867 54.000 -0.105 0.000 0.868 1183 D CB 1.013 41.749 40.800 -0.107 0.000 0.953 1183 D HN 0.541 nan 8.370 nan 0.000 0.514 1184 G N 1.189 109.883 108.800 -0.176 0.000 2.159 1184 G HA2 -0.283 3.679 3.960 0.002 0.000 0.256 1184 G HA3 -0.283 3.679 3.960 0.002 0.000 0.256 1184 G C 0.430 175.187 174.900 -0.239 0.000 0.977 1184 G CA 0.353 45.353 45.100 -0.167 0.000 0.652 1184 G HN 0.272 nan 8.290 nan 0.000 0.531 1185 V N 0.554 120.290 119.914 -0.296 0.000 2.583 1185 V HA 0.680 4.801 4.120 0.002 0.000 0.287 1185 V C 0.179 176.027 176.094 -0.411 0.000 1.051 1185 V CA -0.168 62.011 62.300 -0.201 0.000 1.010 1185 V CB 0.976 32.729 31.823 -0.117 0.000 0.988 1185 V HN 0.206 nan 8.190 nan 0.000 0.478 1186 F N 2.497 122.447 119.950 -0.000 0.000 2.507 1186 F HA 0.690 5.218 4.527 0.002 0.000 0.325 1186 F C 0.482 176.293 175.800 0.018 0.000 1.116 1186 F CA -0.418 57.593 58.000 0.017 0.000 0.930 1186 F CB 2.244 41.259 39.000 0.025 0.000 1.146 1186 F HN 0.629 nan 8.300 nan 0.000 0.447 1187 T N -2.478 112.191 114.554 0.192 0.000 2.838 1187 T HA 0.225 4.576 4.350 0.002 0.000 0.292 1187 T C 0.665 175.475 174.700 0.182 0.000 1.113 1187 T CA -0.414 61.770 62.100 0.139 0.000 1.008 1187 T CB 1.499 70.415 68.868 0.079 0.000 1.259 1187 T HN 0.469 nan 8.240 nan 0.000 0.520 1188 T N 0.324 114.981 114.554 0.172 0.000 2.803 1188 T HA -0.093 4.258 4.350 0.002 0.000 0.269 1188 T C 1.909 176.747 174.700 0.231 0.000 1.052 1188 T CA 2.201 64.451 62.100 0.250 0.000 1.136 1188 T CB -0.974 68.036 68.868 0.236 0.000 0.864 1188 T HN 0.613 nan 8.240 nan 0.000 0.467 1189 S N 1.064 116.847 115.700 0.139 0.000 2.383 1189 S HA -0.083 4.388 4.470 0.002 0.000 0.227 1189 S C 2.401 177.104 174.600 0.172 0.000 1.026 1189 S CA 1.362 59.623 58.200 0.101 0.000 0.981 1189 S CB -0.322 62.913 63.200 0.058 0.000 0.818 1189 S HN 0.817 nan 8.310 nan 0.000 0.472 1190 S N 1.936 117.745 115.700 0.181 0.000 2.406 1190 S HA -0.089 4.383 4.470 0.002 0.000 0.228 1190 S C 1.273 176.107 174.600 0.390 0.000 1.020 1190 S CA 0.894 59.233 58.200 0.231 0.000 0.965 1190 S CB -0.454 62.814 63.200 0.113 0.000 0.798 1190 S HN 0.288 nan 8.310 nan 0.000 0.488 1191 D N 1.546 122.187 120.400 0.401 0.000 2.123 1191 D HA -0.077 4.564 4.640 0.002 0.000 0.196 1191 D C 1.770 178.431 176.300 0.601 0.000 0.992 1191 D CA 1.236 55.542 54.000 0.511 0.000 0.833 1191 D CB -0.414 40.710 40.800 0.540 0.000 0.954 1191 D HN 0.346 nan 8.370 nan 0.000 0.455 1192 M N 0.107 119.935 119.600 0.381 0.000 2.108 1192 M HA -0.141 4.341 4.480 0.002 0.000 0.261 1192 M C 1.880 178.391 176.300 0.352 0.000 1.066 1192 M CA 1.329 56.706 55.300 0.129 0.000 1.107 1192 M CB -0.674 31.809 32.600 -0.195 0.000 1.356 1192 M HN 0.268 nan 8.290 nan 0.000 0.406 1193 W N 0.409 121.854 121.300 0.242 0.000 2.317 1193 W HA -0.242 4.420 4.660 0.003 0.000 0.318 1193 W C 1.972 178.758 176.519 0.445 0.000 1.227 1193 W CA 2.257 59.811 57.345 0.350 0.000 1.269 1193 W CB -1.105 28.515 29.460 0.267 0.000 1.155 1193 W HN 0.280 nan 8.180 nan 0.000 0.484 1194 S N 0.758 116.891 115.700 0.721 0.000 2.383 1194 S HA -0.249 4.222 4.470 0.002 0.000 0.229 1194 S C 1.537 176.447 174.600 0.517 0.000 1.030 1194 S CA 1.667 60.255 58.200 0.647 0.000 1.002 1194 S CB -1.114 62.448 63.200 0.604 0.000 0.829 1194 S HN 0.356 nan 8.310 nan 0.000 0.467 1195 F N 2.713 122.876 119.950 0.354 0.000 2.126 1195 F HA -0.085 4.444 4.527 0.002 0.000 0.299 1195 F C 2.300 178.186 175.800 0.144 0.000 1.096 1195 F CA 1.328 59.495 58.000 0.278 0.000 1.255 1195 F CB -1.067 38.154 39.000 0.367 0.000 0.997 1195 F HN 0.215 nan 8.300 nan 0.000 0.479 1196 G N 0.047 108.853 108.800 0.010 0.000 2.469 1196 G HA2 -0.266 3.695 3.960 0.002 0.000 0.219 1196 G HA3 -0.266 3.695 3.960 0.002 0.000 0.219 1196 G C 1.704 176.607 174.900 0.004 0.000 1.150 1196 G CA 1.480 46.371 45.100 -0.349 0.000 0.763 1196 G HN 0.374 nan 8.290 nan 0.000 0.561 1197 V N 0.448 120.533 119.914 0.285 0.000 2.427 1197 V HA -0.141 3.981 4.120 0.002 0.000 0.248 1197 V C 3.006 179.263 176.094 0.273 0.000 1.051 1197 V CA 1.308 63.761 62.300 0.256 0.000 1.048 1197 V CB -0.319 31.500 31.823 -0.006 0.000 0.666 1197 V HN 0.255 nan 8.190 nan 0.000 0.456 1198 V N 0.083 120.135 119.914 0.229 0.000 2.287 1198 V HA -0.284 3.837 4.120 0.002 0.000 0.248 1198 V C 2.361 178.464 176.094 0.015 0.000 1.053 1198 V CA 2.054 64.452 62.300 0.164 0.000 1.027 1198 V CB -0.619 31.258 31.823 0.089 0.000 0.646 1198 V HN 0.447 nan 8.190 nan 0.000 0.447 1199 L N -1.572 119.537 121.223 -0.189 0.000 2.042 1199 L HA -0.230 4.111 4.340 0.002 0.000 0.210 1199 L C 2.330 179.176 176.870 -0.041 0.000 1.076 1199 L CA 2.255 56.967 54.840 -0.215 0.000 0.749 1199 L CB -0.566 41.256 42.059 -0.395 0.000 0.893 1199 L HN 0.544 nan 8.230 nan 0.000 0.432 1200 W N 1.414 122.653 121.300 -0.101 0.000 2.358 1200 W HA -0.195 4.467 4.660 0.003 0.000 0.303 1200 W C 2.394 178.889 176.519 -0.040 0.000 1.208 1200 W CA 1.622 58.952 57.345 -0.025 0.000 1.274 1200 W CB 0.032 29.546 29.460 0.090 0.000 1.138 1200 W HN 0.090 nan 8.180 nan 0.000 0.515 1201 E N 0.189 120.544 120.200 0.260 0.000 2.077 1201 E HA -0.255 4.097 4.350 0.002 0.000 0.193 1201 E C 2.106 178.661 176.600 -0.075 0.000 0.989 1201 E CA 1.881 58.349 56.400 0.113 0.000 0.800 1201 E CB -0.503 29.367 29.700 0.284 0.000 0.746 1201 E HN 0.373 nan 8.360 nan 0.000 0.452 1202 I N 1.164 121.706 120.570 -0.047 0.000 2.163 1202 I HA -0.263 3.908 4.170 0.002 0.000 0.243 1202 I C 2.687 178.720 176.117 -0.141 0.000 1.085 1202 I CA 1.674 62.934 61.300 -0.067 0.000 1.347 1202 I CB -0.486 37.484 38.000 -0.049 0.000 1.044 1202 I HN 0.227 nan 8.210 nan 0.000 0.408 1203 T N -2.961 111.468 114.554 -0.208 0.000 3.088 1203 T HA 0.002 4.354 4.350 0.002 0.000 0.259 1203 T C 1.458 175.951 174.700 -0.345 0.000 1.122 1203 T CA 0.769 62.723 62.100 -0.243 0.000 1.095 1203 T CB -0.235 68.497 68.868 -0.226 0.000 0.930 1203 T HN 0.404 nan 8.240 nan 0.000 0.508 1204 S N 0.755 116.162 115.700 -0.489 0.000 2.578 1204 S HA 0.371 4.842 4.470 0.002 0.000 0.231 1204 S C 0.750 175.148 174.600 -0.336 0.000 0.994 1204 S CA -0.602 57.268 58.200 -0.549 0.000 0.956 1204 S CB -0.747 61.790 63.200 -1.104 0.000 0.870 1204 S HN 0.474 nan 8.310 nan 0.000 0.494 1205 L N 0.740 121.825 121.223 -0.229 0.000 3.660 1205 L HA -0.292 4.049 4.340 0.002 0.000 0.440 1205 L C 0.854 177.670 176.870 -0.090 0.000 1.262 1205 L CA 0.139 54.898 54.840 -0.135 0.000 0.837 1205 L CB -2.413 39.574 42.059 -0.121 0.000 1.689 1205 L HN 0.826 nan 8.230 nan 0.000 0.890 1206 A N -1.107 121.666 122.820 -0.079 0.000 2.800 1206 A HA -0.202 4.119 4.320 0.002 0.000 0.292 1206 A C 0.776 178.403 177.584 0.071 0.000 1.474 1206 A CA 1.541 53.600 52.037 0.037 0.000 0.744 1206 A CB -1.315 17.721 19.000 0.060 0.000 1.044 1206 A HN 0.695 nan 8.150 nan 0.000 0.489 1207 E N 0.094 120.300 120.200 0.011 0.000 2.410 1207 E HA 0.213 4.565 4.350 0.002 0.000 0.255 1207 E C 0.361 177.144 176.600 0.305 0.000 1.194 1207 E CA -0.405 56.064 56.400 0.115 0.000 0.955 1207 E CB 0.236 29.964 29.700 0.047 0.000 0.988 1207 E HN 0.532 nan 8.360 nan 0.000 0.461 1208 Q N 1.740 121.676 119.800 0.226 0.000 2.293 1208 Q HA 0.193 4.534 4.340 0.002 0.000 0.263 1208 Q C -2.226 173.781 176.000 0.011 0.000 1.002 1208 Q CA -1.810 54.080 55.803 0.144 0.000 0.910 1208 Q CB 0.405 29.206 28.738 0.106 0.000 1.185 1208 Q HN 0.196 nan 8.270 nan 0.000 0.401 1209 P HA -0.066 nan 4.420 nan 0.000 0.265 1209 P C -0.965 175.990 177.300 -0.575 0.000 1.193 1209 P CA 0.087 62.569 63.100 -1.030 0.000 0.765 1209 P CB 0.123 31.021 31.700 -1.336 0.000 0.823 1210 Y N -0.426 119.600 120.300 -0.456 0.000 3.168 1210 Y HA -0.285 4.266 4.550 0.003 0.000 0.207 1210 Y C 1.881 177.656 175.900 -0.209 0.000 1.280 1210 Y CA 0.797 58.706 58.100 -0.319 0.000 1.235 1210 Y CB -2.890 35.380 38.460 -0.316 0.000 1.370 1210 Y HN 0.465 nan 8.280 nan 0.000 0.537 1211 Q N 0.921 120.687 119.800 -0.058 0.000 2.082 1211 Q HA -0.236 4.106 4.340 0.002 0.000 0.211 1211 Q C 2.315 178.299 176.000 -0.026 0.000 1.002 1211 Q CA 2.227 58.022 55.803 -0.012 0.000 0.868 1211 Q CB -0.483 28.267 28.738 0.020 0.000 0.931 1211 Q HN 0.800 nan 8.270 nan 0.000 0.414 1212 G N -0.365 108.404 108.800 -0.053 0.000 3.026 1212 G HA2 0.173 4.134 3.960 0.002 0.000 0.208 1212 G HA3 0.173 4.134 3.960 0.002 0.000 0.208 1212 G C 0.091 174.934 174.900 -0.095 0.000 1.169 1212 G CA -0.179 44.881 45.100 -0.067 0.000 0.788 1212 G HN 0.148 nan 8.290 nan 0.000 0.533 1213 L N 1.470 122.631 121.223 -0.104 0.000 2.329 1213 L HA 0.403 4.745 4.340 0.002 0.000 0.279 1213 L C 0.636 177.440 176.870 -0.110 0.000 1.014 1213 L CA -0.881 53.876 54.840 -0.137 0.000 0.814 1213 L CB 2.106 44.034 42.059 -0.217 0.000 1.257 1213 L HN 0.125 nan 8.230 nan 0.000 0.424 1214 S N 1.104 116.733 115.700 -0.118 0.000 2.600 1214 S HA 0.150 4.622 4.470 0.002 0.000 0.265 1214 S C 0.893 175.376 174.600 -0.196 0.000 1.325 1214 S CA -0.640 57.483 58.200 -0.130 0.000 1.002 1214 S CB 0.855 63.986 63.200 -0.115 0.000 0.921 1214 S HN 0.621 nan 8.310 nan 0.000 0.554 1215 N N 1.534 120.060 118.700 -0.291 0.000 2.061 1215 N HA -0.136 4.606 4.740 0.002 0.000 0.193 1215 N C 1.599 176.847 175.510 -0.436 0.000 1.030 1215 N CA 1.565 54.331 53.050 -0.473 0.000 0.856 1215 N CB -0.599 37.295 38.487 -0.988 0.000 1.023 1215 N HN 0.674 nan 8.380 nan 0.000 0.424 1216 E N 1.222 121.191 120.200 -0.385 0.000 2.118 1216 E HA -0.157 4.195 4.350 0.002 0.000 0.195 1216 E C 1.943 178.471 176.600 -0.120 0.000 0.992 1216 E CA 0.855 57.149 56.400 -0.177 0.000 0.804 1216 E CB -0.207 29.440 29.700 -0.088 0.000 0.741 1216 E HN 0.550 nan 8.360 nan 0.000 0.458 1217 Q N 0.125 119.844 119.800 -0.135 0.000 2.119 1217 Q HA -0.086 4.255 4.340 0.002 0.000 0.201 1217 Q C 2.377 178.303 176.000 -0.124 0.000 0.972 1217 Q CA 1.035 56.771 55.803 -0.111 0.000 0.847 1217 Q CB 0.053 28.713 28.738 -0.130 0.000 0.903 1217 Q HN 0.101 nan 8.270 nan 0.000 0.433 1218 V N 1.445 121.244 119.914 -0.192 0.000 2.295 1218 V HA -0.292 3.830 4.120 0.002 0.000 0.246 1218 V C 2.257 178.233 176.094 -0.197 0.000 1.049 1218 V CA 1.628 63.758 62.300 -0.283 0.000 1.024 1218 V CB -0.716 30.908 31.823 -0.332 0.000 0.648 1218 V HN 0.364 nan 8.190 nan 0.000 0.447 1219 L N -0.089 121.056 121.223 -0.130 0.000 1.997 1219 L HA -0.306 4.036 4.340 0.002 0.000 0.216 1219 L C 2.592 179.422 176.870 -0.067 0.000 1.074 1219 L CA 2.424 57.217 54.840 -0.079 0.000 0.763 1219 L CB -0.853 41.193 42.059 -0.023 0.000 0.890 1219 L HN 0.304 nan 8.230 nan 0.000 0.434 1220 K N -0.061 120.315 120.400 -0.040 0.000 2.057 1220 K HA -0.195 4.126 4.320 0.002 0.000 0.206 1220 K C 2.000 178.602 176.600 0.003 0.000 1.050 1220 K CA 1.292 57.570 56.287 -0.015 0.000 0.935 1220 K CB -0.390 32.108 32.500 -0.003 0.000 0.715 1220 K HN 0.104 nan 8.250 nan 0.000 0.439 1221 F N 0.248 120.098 119.950 -0.166 0.000 2.075 1221 F HA -0.162 4.366 4.527 0.002 0.000 0.297 1221 F C 1.729 177.438 175.800 -0.152 0.000 1.113 1221 F CA 1.432 59.326 58.000 -0.178 0.000 1.218 1221 F CB -0.454 38.393 39.000 -0.255 0.000 0.984 1221 F HN -0.149 nan 8.300 nan 0.000 0.472 1222 V N 0.601 120.390 119.914 -0.208 0.000 2.307 1222 V HA -0.333 3.789 4.120 0.002 0.000 0.245 1222 V C 2.488 178.512 176.094 -0.116 0.000 1.045 1222 V CA 2.163 64.328 62.300 -0.225 0.000 1.024 1222 V CB -0.665 31.024 31.823 -0.223 0.000 0.651 1222 V HN 0.351 nan 8.190 nan 0.000 0.449 1223 M N -0.056 119.489 119.600 -0.091 0.000 2.202 1223 M HA -0.212 4.269 4.480 0.002 0.000 0.262 1223 M C 1.451 177.812 176.300 0.102 0.000 1.063 1223 M CA 1.677 56.984 55.300 0.011 0.000 1.097 1223 M CB -0.555 32.029 32.600 -0.027 0.000 1.382 1223 M HN 0.319 nan 8.290 nan 0.000 0.413 1224 D N -0.698 119.677 120.400 -0.043 0.000 2.340 1224 D HA 0.130 4.772 4.640 0.002 0.000 0.220 1224 D C 1.290 177.455 176.300 -0.224 0.000 1.039 1224 D CA 0.909 54.835 54.000 -0.124 0.000 0.866 1224 D CB 0.306 41.032 40.800 -0.124 0.000 0.913 1224 D HN 0.535 nan 8.370 nan 0.000 0.523 1225 G N -0.536 108.176 108.800 -0.146 0.000 2.192 1225 G HA2 -0.118 3.844 3.960 0.002 0.000 0.193 1225 G HA3 -0.118 3.844 3.960 0.002 0.000 0.193 1225 G C 0.702 175.483 174.900 -0.198 0.000 0.999 1225 G CA -0.258 44.767 45.100 -0.125 0.000 0.659 1225 G HN 0.538 nan 8.290 nan 0.000 0.503 1226 G N 0.039 108.469 108.800 -0.618 0.000 2.467 1226 G HA2 0.703 4.665 3.960 0.002 0.000 0.257 1226 G HA3 0.703 4.665 3.960 0.002 0.000 0.257 1226 G C -0.209 174.398 174.900 -0.488 0.000 1.227 1226 G CA 0.315 44.658 45.100 -1.263 0.000 0.835 1226 G HN 1.295 nan 8.290 nan 0.000 0.556 1227 Y N -0.792 119.406 120.300 -0.170 0.000 2.715 1227 Y HA 0.691 5.243 4.550 0.003 0.000 0.331 1227 Y C -0.373 175.492 175.900 -0.059 0.000 1.197 1227 Y CA -1.811 56.212 58.100 -0.129 0.000 1.079 1227 Y CB 0.762 39.051 38.460 -0.284 0.000 1.298 1227 Y HN 0.433 nan 8.280 nan 0.000 0.477 1228 L N 2.245 123.230 121.223 -0.398 0.000 2.452 1228 L HA 0.227 4.568 4.340 0.002 0.000 0.267 1228 L C -0.319 176.597 176.870 0.076 0.000 1.188 1228 L CA -0.108 54.452 54.840 -0.465 0.000 0.821 1228 L CB 0.143 41.495 42.059 -1.179 0.000 1.102 1228 L HN 0.588 nan 8.230 nan 0.000 0.470 1229 D N 0.655 121.130 120.400 0.126 0.000 2.354 1229 D HA 0.152 4.793 4.640 0.002 0.000 0.247 1229 D C -0.109 176.418 176.300 0.378 0.000 1.138 1229 D CA -0.415 53.735 54.000 0.250 0.000 0.958 1229 D CB 0.616 41.510 40.800 0.157 0.000 1.144 1229 D HN 0.267 nan 8.370 nan 0.000 0.458 1230 Q N 1.054 121.025 119.800 0.285 0.000 2.313 1230 Q HA 0.282 4.624 4.340 0.002 0.000 0.266 1230 Q C -2.017 174.046 176.000 0.106 0.000 0.989 1230 Q CA -1.412 54.520 55.803 0.216 0.000 0.890 1230 Q CB -0.024 28.789 28.738 0.124 0.000 1.200 1230 Q HN 0.146 nan 8.270 nan 0.000 0.396 1231 P HA 0.005 nan 4.420 nan 0.000 0.270 1231 P C -0.708 176.536 177.300 -0.092 0.000 1.223 1231 P CA -0.206 62.801 63.100 -0.156 0.000 0.785 1231 P CB 0.512 31.985 31.700 -0.379 0.000 0.923 1232 D N 0.980 121.327 120.400 -0.088 0.000 2.443 1232 D HA -0.002 4.640 4.640 0.002 0.000 0.239 1232 D C 0.511 176.766 176.300 -0.075 0.000 1.136 1232 D CA 0.420 54.382 54.000 -0.063 0.000 0.879 1232 D CB -0.530 40.235 40.800 -0.057 0.000 1.195 1232 D HN 0.384 nan 8.370 nan 0.000 0.443 1233 N N -0.933 117.734 118.700 -0.056 0.000 2.714 1233 N HA -0.228 4.513 4.740 0.002 0.000 0.250 1233 N C -0.349 175.121 175.510 -0.067 0.000 1.117 1233 N CA 0.281 53.297 53.050 -0.057 0.000 0.719 1233 N CB -1.399 37.053 38.487 -0.059 0.000 1.081 1233 N HN 0.408 nan 8.380 nan 0.000 0.557 1234 C N 1.529 120.787 119.300 -0.070 0.000 2.629 1234 C HA 0.260 4.721 4.460 0.002 0.000 0.410 1234 C C -1.515 173.439 174.990 -0.061 0.000 1.339 1234 C CA -1.634 57.337 59.018 -0.079 0.000 1.810 1234 C CB -0.427 27.266 27.740 -0.079 0.000 2.549 1234 C HN 0.232 nan 8.230 nan 0.000 0.589 1235 P HA 0.226 nan 4.420 nan 0.000 0.265 1235 P C 0.690 177.957 177.300 -0.055 0.000 1.193 1235 P CA 0.754 63.820 63.100 -0.057 0.000 0.765 1235 P CB 0.475 32.139 31.700 -0.061 0.000 0.823 1236 E N 3.127 123.299 120.200 -0.045 0.000 2.118 1236 E HA -0.267 4.084 4.350 0.002 0.000 0.195 1236 E C 2.027 178.594 176.600 -0.054 0.000 0.992 1236 E CA 1.674 58.049 56.400 -0.043 0.000 0.804 1236 E CB -0.819 28.861 29.700 -0.033 0.000 0.741 1236 E HN 0.515 nan 8.360 nan 0.000 0.458 1237 R N -0.282 120.184 120.500 -0.056 0.000 2.096 1237 R HA -0.083 4.258 4.340 0.002 0.000 0.235 1237 R C 2.422 178.676 176.300 -0.077 0.000 1.127 1237 R CA 1.539 57.603 56.100 -0.061 0.000 0.968 1237 R CB -0.364 29.902 30.300 -0.055 0.000 0.861 1237 R HN 0.386 nan 8.270 nan 0.000 0.440 1238 V N -0.098 119.765 119.914 -0.085 0.000 2.379 1238 V HA -0.162 3.959 4.120 0.002 0.000 0.245 1238 V C 2.169 178.177 176.094 -0.144 0.000 1.044 1238 V CA 2.052 64.285 62.300 -0.112 0.000 1.036 1238 V CB -0.461 31.296 31.823 -0.110 0.000 0.664 1238 V HN 0.399 nan 8.190 nan 0.000 0.453 1239 T N -0.028 114.457 114.554 -0.114 0.000 2.665 1239 T HA -0.230 4.122 4.350 0.002 0.000 0.268 1239 T C 1.693 176.301 174.700 -0.153 0.000 1.035 1239 T CA 1.912 63.944 62.100 -0.114 0.000 1.151 1239 T CB -0.417 68.418 68.868 -0.054 0.000 0.862 1239 T HN 0.468 nan 8.240 nan 0.000 0.438 1240 D N 0.967 121.294 120.400 -0.120 0.000 2.123 1240 D HA -0.043 4.598 4.640 0.002 0.000 0.196 1240 D C 2.172 178.373 176.300 -0.165 0.000 0.992 1240 D CA 0.791 54.719 54.000 -0.120 0.000 0.833 1240 D CB -0.381 40.369 40.800 -0.083 0.000 0.954 1240 D HN 0.337 nan 8.370 nan 0.000 0.455 1241 L N -0.005 121.116 121.223 -0.170 0.000 2.017 1241 L HA -0.166 4.175 4.340 0.002 0.000 0.208 1241 L C 2.689 179.350 176.870 -0.348 0.000 1.073 1241 L CA 0.887 55.617 54.840 -0.183 0.000 0.745 1241 L CB -0.377 41.612 42.059 -0.116 0.000 0.894 1241 L HN 0.036 nan 8.230 nan 0.000 0.432 1242 M N -0.725 118.570 119.600 -0.507 0.000 2.106 1242 M HA -0.247 4.235 4.480 0.002 0.000 0.259 1242 M C 2.462 178.118 176.300 -1.074 0.000 1.068 1242 M CA 1.841 56.522 55.300 -1.032 0.000 1.100 1242 M CB -0.326 31.653 32.600 -1.035 0.000 1.351 1242 M HN 0.148 nan 8.290 nan 0.000 0.404 1243 R N -0.475 119.695 120.500 -0.551 0.000 2.148 1243 R HA -0.048 4.294 4.340 0.002 0.000 0.227 1243 R C 2.066 178.203 176.300 -0.272 0.000 1.103 1243 R CA 1.197 57.085 56.100 -0.353 0.000 0.983 1243 R CB -0.228 29.948 30.300 -0.207 0.000 0.874 1243 R HN 0.447 nan 8.270 nan 0.000 0.451 1244 M N -0.512 118.931 119.600 -0.261 0.000 2.132 1244 M HA -0.158 4.323 4.480 0.002 0.000 0.263 1244 M C 2.280 178.480 176.300 -0.167 0.000 1.065 1244 M CA 1.243 56.443 55.300 -0.166 0.000 1.122 1244 M CB -0.154 32.366 32.600 -0.134 0.000 1.365 1244 M HN 0.221 nan 8.290 nan 0.000 0.411 1245 C N -0.851 118.260 119.300 -0.315 0.000 2.432 1245 C HA -0.111 4.350 4.460 0.002 0.000 0.280 1245 C C 1.608 176.526 174.990 -0.119 0.000 1.353 1245 C CA 0.210 59.066 59.018 -0.270 0.000 1.766 1245 C CB -0.983 26.478 27.740 -0.466 0.000 1.924 1245 C HN 0.657 nan 8.230 nan 0.000 0.509 1246 W N 0.731 121.865 121.300 -0.277 0.000 3.223 1246 W HA 0.296 4.958 4.660 0.004 0.000 0.389 1246 W C 0.385 176.918 176.519 0.023 0.000 1.118 1246 W CA -0.689 56.426 57.345 -0.384 0.000 1.902 1246 W CB -1.077 27.948 29.460 -0.726 0.000 1.094 1246 W HN 0.363 nan 8.180 nan 0.000 0.666 1247 Q N 0.547 120.488 119.800 0.234 0.000 2.286 1247 Q HA -0.103 4.238 4.340 0.002 0.000 0.290 1247 Q C 1.138 177.358 176.000 0.368 0.000 1.049 1247 Q CA 0.251 56.198 55.803 0.240 0.000 0.923 1247 Q CB 0.515 29.337 28.738 0.141 0.000 1.183 1247 Q HN 0.206 nan 8.270 nan 0.000 0.383 1248 F N 2.863 122.941 119.950 0.214 0.000 2.102 1248 F HA -0.182 4.346 4.527 0.002 0.000 0.298 1248 F C 1.110 176.968 175.800 0.097 0.000 1.105 1248 F CA 1.106 59.207 58.000 0.168 0.000 1.239 1248 F CB 0.190 39.251 39.000 0.101 0.000 0.991 1248 F HN 0.515 nan 8.300 nan 0.000 0.474 1249 N N 1.812 120.639 118.700 0.210 0.000 2.431 1249 N HA 0.048 4.789 4.740 0.002 0.000 0.265 1249 N C -1.791 173.746 175.510 0.046 0.000 1.184 1249 N CA -1.942 51.160 53.050 0.086 0.000 0.943 1249 N CB 0.916 39.478 38.487 0.125 0.000 1.080 1249 N HN 0.027 nan 8.380 nan 0.000 0.477 1250 P HA -0.157 nan 4.420 nan 0.000 0.218 1250 P C 0.362 177.679 177.300 0.028 0.000 1.148 1250 P CA 1.435 64.544 63.100 0.015 0.000 0.822 1250 P CB 0.350 32.036 31.700 -0.023 0.000 0.784 1251 K N -1.079 119.335 120.400 0.024 0.000 2.504 1251 K HA 0.103 4.424 4.320 0.002 0.000 0.195 1251 K C 1.972 178.588 176.600 0.026 0.000 1.036 1251 K CA 0.646 56.947 56.287 0.023 0.000 0.984 1251 K CB -0.224 32.289 32.500 0.022 0.000 0.788 1251 K HN 0.175 nan 8.250 nan 0.000 0.488 1252 M N 0.265 119.888 119.600 0.039 0.000 2.465 1252 M HA 0.065 4.547 4.480 0.002 0.000 0.249 1252 M C 0.248 176.562 176.300 0.024 0.000 1.130 1252 M CA 0.428 55.750 55.300 0.037 0.000 1.067 1252 M CB 0.185 32.821 32.600 0.059 0.000 1.394 1252 M HN -0.019 nan 8.290 nan 0.000 0.483 1253 R N 1.640 122.155 120.500 0.026 0.000 2.582 1253 R HA 0.257 4.599 4.340 0.002 0.000 0.271 1253 R C -2.128 174.146 176.300 -0.043 0.000 1.078 1253 R CA -1.354 54.746 56.100 0.000 0.000 1.127 1253 R CB -0.104 30.214 30.300 0.029 0.000 1.038 1253 R HN 0.011 nan 8.270 nan 0.000 0.500 1254 P HA 0.034 nan 4.420 nan 0.000 0.274 1254 P C -0.464 176.727 177.300 -0.182 0.000 1.256 1254 P CA -0.396 62.640 63.100 -0.107 0.000 0.795 1254 P CB 0.643 32.275 31.700 -0.113 0.000 1.038 1255 T N -2.599 111.871 114.554 -0.140 0.000 2.881 1255 T HA 0.306 4.657 4.350 0.002 0.000 0.278 1255 T C 1.026 175.596 174.700 -0.217 0.000 0.982 1255 T CA -0.322 61.681 62.100 -0.162 0.000 0.989 1255 T CB 0.055 68.922 68.868 -0.000 0.000 1.058 1255 T HN 0.101 nan 8.240 nan 0.000 0.529 1256 F N -0.058 119.877 119.950 -0.025 0.000 2.234 1256 F HA 0.131 4.659 4.527 0.002 0.000 0.299 1256 F C 2.226 178.042 175.800 0.027 0.000 1.087 1256 F CA 0.724 58.673 58.000 -0.084 0.000 1.340 1256 F CB -0.764 38.187 39.000 -0.082 0.000 1.031 1256 F HN 0.402 nan 8.300 nan 0.000 0.500 1257 L N -0.294 121.102 121.223 0.288 0.000 2.046 1257 L HA -0.215 4.126 4.340 0.002 0.000 0.208 1257 L C 2.296 179.325 176.870 0.266 0.000 1.077 1257 L CA 1.466 56.520 54.840 0.356 0.000 0.747 1257 L CB -0.606 41.633 42.059 0.299 0.000 0.896 1257 L HN 0.156 nan 8.230 nan 0.000 0.432 1258 E N -0.039 120.237 120.200 0.127 0.000 2.110 1258 E HA -0.212 4.139 4.350 0.002 0.000 0.193 1258 E C 2.250 178.850 176.600 -0.001 0.000 0.988 1258 E CA 0.972 57.407 56.400 0.059 0.000 0.804 1258 E CB 0.071 29.777 29.700 0.011 0.000 0.745 1258 E HN 0.349 nan 8.360 nan 0.000 0.458 1259 I N 0.775 121.324 120.570 -0.035 0.000 2.099 1259 I HA -0.248 3.923 4.170 0.002 0.000 0.239 1259 I C 2.452 178.519 176.117 -0.084 0.000 1.066 1259 I CA 1.162 62.428 61.300 -0.057 0.000 1.324 1259 I CB -1.226 36.710 38.000 -0.107 0.000 1.037 1259 I HN 0.037 nan 8.210 nan 0.000 0.401 1260 V N 1.549 121.403 119.914 -0.100 0.000 2.324 1260 V HA -0.310 3.811 4.120 0.002 0.000 0.250 1260 V C 2.348 178.146 176.094 -0.492 0.000 1.060 1260 V CA 2.316 64.449 62.300 -0.279 0.000 1.042 1260 V CB -1.170 30.497 31.823 -0.259 0.000 0.650 1260 V HN 0.442 nan 8.190 nan 0.000 0.450 1261 N N 0.168 118.629 118.700 -0.398 0.000 2.149 1261 N HA -0.146 4.595 4.740 0.002 0.000 0.188 1261 N C 1.610 177.035 175.510 -0.141 0.000 1.019 1261 N CA 1.485 54.383 53.050 -0.252 0.000 0.857 1261 N CB -0.312 38.226 38.487 0.084 0.000 0.997 1261 N HN 0.484 nan 8.380 nan 0.000 0.426 1262 L N -0.427 120.731 121.223 -0.108 0.000 2.141 1262 L HA -0.056 4.285 4.340 0.002 0.000 0.209 1262 L C 1.661 178.469 176.870 -0.103 0.000 1.094 1262 L CA 0.748 55.540 54.840 -0.080 0.000 0.763 1262 L CB -0.143 41.881 42.059 -0.058 0.000 0.908 1262 L HN 0.237 nan 8.230 nan 0.000 0.437 1263 L N -0.799 120.332 121.223 -0.153 0.000 2.556 1263 L HA -0.000 4.341 4.340 0.002 0.000 0.226 1263 L C 2.419 179.161 176.870 -0.214 0.000 1.089 1263 L CA 0.048 54.788 54.840 -0.167 0.000 0.864 1263 L CB -0.295 41.660 42.059 -0.174 0.000 1.067 1263 L HN 0.217 nan 8.230 nan 0.000 0.477 1264 K N 0.017 120.270 120.400 -0.245 0.000 2.127 1264 K HA -0.253 4.068 4.320 0.002 0.000 0.208 1264 K C 0.990 177.531 176.600 -0.099 0.000 1.047 1264 K CA 2.098 58.260 56.287 -0.207 0.000 0.927 1264 K CB -0.381 32.032 32.500 -0.145 0.000 0.716 1264 K HN 0.145 nan 8.250 nan 0.000 0.450 1265 D N 1.116 121.475 120.400 -0.068 0.000 2.269 1265 D HA -0.074 4.567 4.640 0.002 0.000 0.208 1265 D C 0.706 176.974 176.300 -0.054 0.000 0.963 1265 D CA 0.911 54.889 54.000 -0.036 0.000 0.864 1265 D CB -0.008 40.778 40.800 -0.023 0.000 0.936 1265 D HN 0.338 nan 8.370 nan 0.000 0.505 1266 D N -0.206 120.144 120.400 -0.084 0.000 2.402 1266 D HA 0.113 4.755 4.640 0.002 0.000 0.216 1266 D C 0.663 176.911 176.300 -0.086 0.000 1.128 1266 D CA -0.063 53.892 54.000 -0.075 0.000 0.833 1266 D CB 1.107 41.865 40.800 -0.070 0.000 0.971 1266 D HN 0.193 nan 8.370 nan 0.000 0.503 1267 L N 0.102 121.252 121.223 -0.121 0.000 2.431 1267 L HA 0.213 4.554 4.340 0.002 0.000 0.260 1267 L C 1.089 177.963 176.870 0.007 0.000 1.098 1267 L CA -0.787 53.981 54.840 -0.120 0.000 0.800 1267 L CB 0.841 42.679 42.059 -0.369 0.000 1.210 1267 L HN 0.071 nan 8.230 nan 0.000 0.465 1268 H N 1.686 120.763 119.070 0.010 0.000 2.972 1268 H HA -0.008 4.550 4.556 0.002 0.000 0.343 1268 H C -1.794 173.584 175.328 0.083 0.000 1.054 1268 H CA -0.888 55.196 56.048 0.059 0.000 1.412 1268 H CB 1.484 31.304 29.762 0.097 0.000 1.385 1268 H HN 0.285 nan 8.280 nan 0.000 0.600 1269 P HA -0.165 nan 4.420 nan 0.000 0.220 1269 P C 1.321 178.632 177.300 0.019 0.000 1.144 1269 P CA 1.703 64.712 63.100 -0.152 0.000 0.800 1269 P CB 0.118 31.669 31.700 -0.248 0.000 0.772 1270 S N -2.525 113.310 115.700 0.226 0.000 2.496 1270 S HA -0.068 4.404 4.470 0.002 0.000 0.224 1270 S C 1.743 176.440 174.600 0.161 0.000 0.996 1270 S CA -0.106 58.223 58.200 0.214 0.000 0.927 1270 S CB -1.503 61.875 63.200 0.297 0.000 0.774 1270 S HN 0.017 nan 8.310 nan 0.000 0.524 1271 F N 4.039 124.049 119.950 0.101 0.000 2.091 1271 F HA 0.026 4.554 4.527 0.002 0.000 0.299 1271 F C -1.137 174.676 175.800 0.022 0.000 1.103 1271 F CA 1.248 59.311 58.000 0.105 0.000 1.228 1271 F CB -1.204 37.868 39.000 0.119 0.000 0.984 1271 F HN 0.215 nan 8.300 nan 0.000 0.477 1272 P HA -0.162 nan 4.420 nan 0.000 0.220 1272 P C 1.059 178.253 177.300 -0.176 0.000 1.148 1272 P CA 1.795 64.643 63.100 -0.420 0.000 0.803 1272 P CB -0.144 31.248 31.700 -0.514 0.000 0.782 1273 E N -0.633 119.491 120.200 -0.127 0.000 2.152 1273 E HA -0.084 4.268 4.350 0.002 0.000 0.192 1273 E C 1.714 178.221 176.600 -0.155 0.000 0.983 1273 E CA 1.522 57.857 56.400 -0.108 0.000 0.818 1273 E CB -0.228 29.421 29.700 -0.085 0.000 0.758 1273 E HN 0.253 nan 8.360 nan 0.000 0.467 1274 V N -1.279 118.490 119.914 -0.240 0.000 3.621 1274 V HA 0.114 4.235 4.120 0.002 0.000 0.263 1274 V C 0.981 176.907 176.094 -0.279 0.000 1.272 1274 V CA -0.015 62.065 62.300 -0.366 0.000 1.080 1274 V CB 0.340 31.685 31.823 -0.797 0.000 0.816 1274 V HN 0.083 nan 8.190 nan 0.000 0.451 1275 S N -0.028 115.510 115.700 -0.270 0.000 2.585 1275 S HA 0.300 4.771 4.470 0.002 0.000 0.273 1275 S C 0.687 175.334 174.600 0.078 0.000 1.339 1275 S CA 0.138 58.233 58.200 -0.175 0.000 1.028 1275 S CB 0.843 63.681 63.200 -0.602 0.000 0.906 1275 S HN 0.449 nan 8.310 nan 0.000 0.528 1276 F N 2.382 122.385 119.950 0.088 0.000 2.146 1276 F HA 0.011 4.540 4.527 0.003 0.000 0.298 1276 F C 1.679 177.569 175.800 0.149 0.000 1.096 1276 F CA 1.018 59.100 58.000 0.137 0.000 1.275 1276 F CB -0.687 38.448 39.000 0.225 0.000 1.008 1276 F HN 0.753 nan 8.300 nan 0.000 0.480 1277 F N 0.917 120.796 119.950 -0.118 0.000 2.087 1277 F HA -0.295 4.233 4.527 0.002 0.000 0.299 1277 F C 2.199 177.780 175.800 -0.365 0.000 1.100 1277 F CA 2.499 60.340 58.000 -0.265 0.000 1.226 1277 F CB -0.717 38.245 39.000 -0.064 0.000 0.983 1277 F HN 0.092 nan 8.300 nan 0.000 0.479 1278 H N -0.909 118.201 119.070 0.066 0.000 2.539 1278 H HA 0.173 4.731 4.556 0.002 0.000 0.267 1278 H C 1.095 176.356 175.328 -0.112 0.000 0.982 1278 H CA 0.371 56.420 56.048 0.003 0.000 1.146 1278 H CB -0.224 29.608 29.762 0.116 0.000 1.382 1278 H HN 0.151 nan 8.280 nan 0.000 0.577 1279 S N 0.081 115.729 115.700 -0.087 0.000 2.632 1279 S HA 0.047 4.519 4.470 0.002 0.000 0.267 1279 S C 1.335 175.860 174.600 -0.125 0.000 1.276 1279 S CA -0.790 57.364 58.200 -0.076 0.000 0.998 1279 S CB 1.615 64.799 63.200 -0.027 0.000 0.953 1279 S HN 0.197 nan 8.310 nan 0.000 0.547 1280 E N 0.984 121.149 120.200 -0.058 0.000 2.118 1280 E HA -0.210 4.142 4.350 0.002 0.000 0.195 1280 E C 1.786 178.355 176.600 -0.051 0.000 0.992 1280 E CA 1.426 57.795 56.400 -0.051 0.000 0.804 1280 E CB -0.340 29.351 29.700 -0.015 0.000 0.741 1280 E HN 0.921 nan 8.360 nan 0.000 0.458 1281 E N 1.039 121.236 120.200 -0.005 0.000 2.130 1281 E HA -0.183 4.168 4.350 0.002 0.000 0.196 1281 E C 0.743 177.352 176.600 0.016 0.000 0.998 1281 E CA 0.373 56.822 56.400 0.081 0.000 0.806 1281 E CB -0.049 29.809 29.700 0.263 0.000 0.738 1281 E HN -0.024 nan 8.360 nan 0.000 0.459 1282 N N 1.349 119.870 118.700 -0.298 0.000 2.416 1282 N HA -0.009 4.733 4.740 0.002 0.000 0.271 1282 N C -1.276 174.088 175.510 -0.244 0.000 1.245 1282 N CA 0.540 53.290 53.050 -0.500 0.000 0.940 1282 N CB 0.326 38.185 38.487 -1.046 0.000 1.175 1282 N HN 0.043 nan 8.380 nan 0.000 0.483 1283 K N 0.000 120.342 120.400 -0.097 0.000 2.780 1283 K HA 0.000 4.321 4.320 0.002 0.000 0.191 1283 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 1283 K CB 0.000 32.484 32.500 -0.026 0.000 1.064 1283 K HN 0.000 nan 8.250 nan 0.000 0.543