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 3nw7_1_A DATA FIRST_RESID 957 DATA SEQUENCE YVPDEWEVAR EKITMSRELG QGSFGMVYEG VAKGVVKDEP ETRVAIKTVN DATA SEQUENCE EAASMRERIE FLNEASVMKE FNCHHVVRLL GVVSQGQPTL VIMELMTRGD DATA SEQUENCE LKSYLRSLRP EMENNPVLAP PSLSKMIQMA GEIADGMAYL NANKFVHRDL DATA SEQUENCE AARNCMVAED FTVKIGDFGM TRDIYETDYY RKXXXGLLPV RWMSPESLKD DATA SEQUENCE GVFTTYSDVW SFGVVLWEIA TLAEQPYQGL SNEQVLRFVM EGGLLDKPDN DATA SEQUENCE CPDMLFELMR MCWQYNPKMR PSFLEIISSI KEEMEPGFRE VSFYYSEENK 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 957 Y HA 0.000 nan 4.550 nan 0.000 0.201 957 Y C 0.000 175.895 175.900 -0.008 0.000 1.272 957 Y CA 0.000 58.091 58.100 -0.015 0.000 1.940 957 Y CB 0.000 38.446 38.460 -0.023 0.000 1.050 958 V N 4.666 124.184 119.914 -0.660 0.000 2.389 958 V HA 0.576 4.776 4.120 0.133 0.000 0.264 958 V C -2.531 173.167 176.094 -0.660 0.000 1.049 958 V CA -1.848 60.156 62.300 -0.494 0.000 0.932 958 V CB 0.271 31.930 31.823 -0.273 0.000 1.011 958 V HN 0.628 nan 8.190 nan 0.000 0.475 959 P HA 0.255 nan 4.420 nan 0.000 0.264 959 P C -0.484 176.779 177.300 -0.062 0.000 1.193 959 P CA 0.411 63.471 63.100 -0.065 0.000 0.763 959 P CB 0.548 32.273 31.700 0.042 0.000 0.810 960 D N 0.982 121.400 120.400 0.030 0.000 2.621 960 D HA 0.112 4.832 4.640 0.133 0.000 0.255 960 D C 1.004 177.351 176.300 0.078 0.000 1.122 960 D CA -0.491 53.554 54.000 0.075 0.000 1.096 960 D CB 0.954 41.882 40.800 0.213 0.000 1.282 960 D HN 0.276 nan 8.370 nan 0.000 0.619 961 E N -0.438 119.780 120.200 0.030 0.000 2.409 961 E HA -0.103 4.327 4.350 0.133 0.000 0.198 961 E C 1.184 177.653 176.600 -0.217 0.000 1.024 961 E CA 0.826 57.152 56.400 -0.124 0.000 0.861 961 E CB -0.099 29.467 29.700 -0.223 0.000 0.788 961 E HN 0.445 nan 8.360 nan 0.000 0.521 962 W N 1.434 122.734 121.300 -0.000 0.000 3.139 962 W HA 0.167 4.908 4.660 0.136 0.000 0.260 962 W C 0.531 177.058 176.519 0.013 0.000 1.312 962 W CA -0.445 56.901 57.345 0.002 0.000 1.606 962 W CB 0.189 29.649 29.460 0.001 0.000 1.118 962 W HN -0.067 nan 8.180 nan 0.000 0.675 963 E N 1.292 121.604 120.200 0.186 0.000 2.415 963 E HA 0.163 4.593 4.350 0.133 0.000 0.263 963 E C -0.503 176.140 176.600 0.071 0.000 0.995 963 E CA 0.032 56.510 56.400 0.129 0.000 0.915 963 E CB 0.766 30.529 29.700 0.104 0.000 0.951 963 E HN -0.106 nan 8.360 nan 0.000 0.449 964 V N 3.540 123.492 119.914 0.064 0.000 2.531 964 V HA 0.766 4.966 4.120 0.133 0.000 0.301 964 V C -0.435 175.675 176.094 0.027 0.000 1.034 964 V CA -0.366 61.956 62.300 0.036 0.000 0.865 964 V CB 1.455 33.300 31.823 0.037 0.000 0.995 964 V HN 0.861 nan 8.190 nan 0.000 0.424 965 A N 5.481 128.310 122.820 0.015 0.000 2.546 965 A HA 0.283 4.683 4.320 0.133 0.000 0.243 965 A C 1.320 178.908 177.584 0.007 0.000 1.063 965 A CA 0.651 52.694 52.037 0.010 0.000 0.757 965 A CB -0.090 18.912 19.000 0.003 0.000 0.991 965 A HN 1.174 nan 8.150 nan 0.000 0.503 966 R N 1.482 121.985 120.500 0.005 0.000 2.119 966 R HA -0.212 4.208 4.340 0.133 0.000 0.246 966 R C 1.865 178.161 176.300 -0.007 0.000 1.146 966 R CA 2.144 58.242 56.100 -0.002 0.000 0.962 966 R CB -0.134 30.163 30.300 -0.005 0.000 0.863 966 R HN 0.931 nan 8.270 nan 0.000 0.442 967 E N 0.754 120.951 120.200 -0.006 0.000 2.265 967 E HA -0.204 4.226 4.350 0.133 0.000 0.196 967 E C 0.831 177.427 176.600 -0.006 0.000 0.996 967 E CA 1.126 57.522 56.400 -0.007 0.000 0.832 967 E CB -0.132 29.564 29.700 -0.006 0.000 0.756 967 E HN 0.425 nan 8.360 nan 0.000 0.491 968 K N 0.517 120.915 120.400 -0.004 0.000 2.487 968 K HA 0.140 4.540 4.320 0.133 0.000 0.192 968 K C 0.468 177.067 176.600 -0.002 0.000 1.027 968 K CA 0.180 56.465 56.287 -0.002 0.000 1.054 968 K CB 0.524 33.023 32.500 -0.001 0.000 0.824 968 K HN 0.157 nan 8.250 nan 0.000 0.510 969 I N 1.466 122.034 120.570 -0.005 0.000 2.441 969 I HA 0.186 4.436 4.170 0.133 0.000 0.295 969 I C -0.150 175.958 176.117 -0.015 0.000 0.994 969 I CA -0.383 60.913 61.300 -0.006 0.000 1.144 969 I CB 1.762 39.758 38.000 -0.006 0.000 1.314 969 I HN -0.214 nan 8.210 nan 0.000 0.445 970 T N 6.944 121.490 114.554 -0.013 0.000 2.841 970 T HA 0.586 5.016 4.350 0.133 0.000 0.285 970 T C -0.107 174.581 174.700 -0.020 0.000 0.991 970 T CA -0.515 61.574 62.100 -0.019 0.000 0.966 970 T CB 1.499 70.362 68.868 -0.009 0.000 0.962 970 T HN 0.351 nan 8.240 nan 0.000 0.438 971 M N 2.989 122.561 119.600 -0.046 0.000 2.227 971 M HA 0.428 4.988 4.480 0.133 0.000 0.335 971 M C 0.694 176.980 176.300 -0.023 0.000 1.053 971 M CA -0.579 54.685 55.300 -0.060 0.000 0.973 971 M CB 1.723 34.202 32.600 -0.203 0.000 1.623 971 M HN 0.814 nan 8.290 nan 0.000 0.434 972 S N 3.410 119.142 115.700 0.052 0.000 4.089 972 S HA 0.507 5.057 4.470 0.133 0.000 0.191 972 S C 0.411 175.110 174.600 0.165 0.000 0.964 972 S CA -0.763 57.483 58.200 0.076 0.000 1.612 972 S CB 0.214 63.446 63.200 0.054 0.000 0.736 972 S HN 0.659 nan 8.310 nan 0.000 0.773 973 R N 2.690 123.270 120.500 0.134 0.000 2.694 973 R HA 0.260 4.680 4.340 0.133 0.000 0.268 973 R C 0.204 176.583 176.300 0.132 0.000 1.061 973 R CA -0.017 56.154 56.100 0.118 0.000 1.133 973 R CB 0.236 30.568 30.300 0.054 0.000 1.020 973 R HN 0.731 nan 8.270 nan 0.000 0.475 974 E N 2.315 122.504 120.200 -0.017 0.000 2.366 974 E HA 0.039 4.469 4.350 0.133 0.000 0.266 974 E C -0.065 176.430 176.600 -0.175 0.000 1.051 974 E CA -0.409 55.793 56.400 -0.330 0.000 0.884 974 E CB 0.793 30.180 29.700 -0.522 0.000 1.006 974 E HN 0.468 nan 8.360 nan 0.000 0.417 975 L N 1.590 122.699 121.223 -0.190 0.000 2.347 975 L HA 0.380 4.800 4.340 0.133 0.000 0.196 975 L C 1.027 177.844 176.870 -0.090 0.000 1.072 975 L CA 0.798 55.585 54.840 -0.089 0.000 0.817 975 L CB 0.226 42.261 42.059 -0.040 0.000 1.029 975 L HN 0.854 nan 8.230 nan 0.000 0.478 976 G N -1.102 107.626 108.800 -0.119 0.000 2.338 976 G HA2 0.261 4.301 3.960 0.133 0.000 0.295 976 G HA3 0.261 4.301 3.960 0.133 0.000 0.295 976 G C -2.016 172.828 174.900 -0.093 0.000 1.461 976 G CA -0.620 44.425 45.100 -0.091 0.000 0.817 976 G HN -0.174 nan 8.290 nan 0.000 0.556 977 Q N -0.206 119.546 119.800 -0.080 0.000 2.337 977 Q HA 0.574 4.994 4.340 0.133 0.000 0.270 977 Q C 0.707 176.690 176.000 -0.028 0.000 1.002 977 Q CA 1.136 56.900 55.803 -0.066 0.000 0.888 977 Q CB 0.981 29.674 28.738 -0.075 0.000 1.222 977 Q HN 0.997 nan 8.270 nan 0.000 0.400 978 G N 0.694 109.495 108.800 0.002 0.000 2.971 978 G HA2 0.357 4.397 3.960 0.133 0.000 0.235 978 G HA3 0.357 4.397 3.960 0.133 0.000 0.235 978 G C 0.370 175.290 174.900 0.033 0.000 1.351 978 G CA -0.019 45.111 45.100 0.050 0.000 1.039 978 G HN 0.724 nan 8.290 nan 0.000 0.563 979 S N -1.054 114.693 115.700 0.078 0.000 2.362 979 S HA 0.043 4.593 4.470 0.133 0.000 0.221 979 S C 1.746 176.260 174.600 -0.143 0.000 1.032 979 S CA 1.035 59.211 58.200 -0.040 0.000 0.973 979 S CB -0.390 62.789 63.200 -0.035 0.000 0.849 979 S HN 0.300 nan 8.310 nan 0.000 0.465 980 F N 2.299 122.259 119.950 0.016 0.000 2.765 980 F HA 0.524 5.138 4.527 0.145 0.000 0.302 980 F C 1.465 177.164 175.800 -0.169 0.000 1.111 980 F CA 0.340 58.286 58.000 -0.090 0.000 1.359 980 F CB 0.646 39.547 39.000 -0.166 0.000 1.097 980 F HN 0.593 nan 8.300 nan 0.000 0.577 981 G N -0.420 108.400 108.800 0.034 0.000 2.324 981 G HA2 0.277 4.317 3.960 0.133 0.000 0.293 981 G HA3 0.277 4.317 3.960 0.133 0.000 0.293 981 G C -1.599 173.307 174.900 0.010 0.000 1.297 981 G CA -1.181 43.914 45.100 -0.008 0.000 0.853 981 G HN -0.170 nan 8.290 nan 0.000 0.535 982 M N 0.620 120.222 119.600 0.002 0.000 2.249 982 M HA 0.524 5.084 4.480 0.133 0.000 0.340 982 M C -0.059 176.227 176.300 -0.023 0.000 1.166 982 M CA -0.170 55.082 55.300 -0.080 0.000 1.115 982 M CB 0.853 33.342 32.600 -0.186 0.000 1.606 982 M HN 0.439 nan 8.290 nan 0.000 0.448 983 V N 6.993 126.847 119.914 -0.099 0.000 2.427 983 V HA 0.404 4.604 4.120 0.133 0.000 0.286 983 V C -0.857 175.174 176.094 -0.104 0.000 1.034 983 V CA -0.463 61.846 62.300 0.014 0.000 0.893 983 V CB 0.901 32.744 31.823 0.033 0.000 0.982 983 V HN 0.768 nan 8.190 nan 0.000 0.452 984 Y N 2.250 122.562 120.300 0.021 0.000 2.587 984 Y HA 0.556 5.187 4.550 0.135 0.000 0.337 984 Y C 0.477 176.384 175.900 0.012 0.000 1.065 984 Y CA -1.055 57.053 58.100 0.013 0.000 1.126 984 Y CB 1.542 40.008 38.460 0.010 0.000 1.279 984 Y HN 0.749 nan 8.280 nan 0.000 0.489 985 E N 0.285 120.589 120.200 0.173 0.000 2.232 985 E HA 0.839 5.269 4.350 0.133 0.000 0.265 985 E C -0.262 176.398 176.600 0.100 0.000 1.001 985 E CA -0.790 55.670 56.400 0.100 0.000 0.870 985 E CB 2.158 31.891 29.700 0.056 0.000 1.175 985 E HN 0.769 nan 8.360 nan 0.000 0.407 986 G N -0.227 108.609 108.800 0.060 0.000 2.435 986 G HA2 0.430 4.470 3.960 0.133 0.000 0.296 986 G HA3 0.430 4.470 3.960 0.133 0.000 0.296 986 G C -1.144 173.770 174.900 0.025 0.000 1.240 986 G CA -0.283 44.840 45.100 0.040 0.000 0.872 986 G HN 1.099 nan 8.290 nan 0.000 0.480 987 V N -2.943 116.980 119.914 0.015 0.000 2.876 987 V HA 1.000 5.200 4.120 0.133 0.000 0.312 987 V C -0.115 175.984 176.094 0.008 0.000 1.085 987 V CA -0.312 61.994 62.300 0.010 0.000 0.945 987 V CB 1.197 33.024 31.823 0.007 0.000 1.017 987 V HN 2.367 nan 8.190 nan 0.000 0.428 988 A N 2.687 125.512 122.820 0.008 0.000 2.498 988 A HA 0.855 5.255 4.320 0.133 0.000 0.298 988 A C -0.786 176.801 177.584 0.004 0.000 1.075 988 A CA -0.879 51.163 52.037 0.008 0.000 0.714 988 A CB 2.140 21.149 19.000 0.014 0.000 1.299 988 A HN 0.987 nan 8.150 nan 0.000 0.407 989 K N 0.780 121.181 120.400 0.002 0.000 2.221 989 K HA 0.505 4.905 4.320 0.133 0.000 0.258 989 K C 0.673 177.270 176.600 -0.005 0.000 0.944 989 K CA 0.439 56.725 56.287 -0.002 0.000 0.823 989 K CB 1.185 33.682 32.500 -0.004 0.000 1.113 989 K HN 1.963 nan 8.250 nan 0.000 0.431 990 G N 2.533 111.327 108.800 -0.009 0.000 2.249 990 G HA2 -0.247 3.793 3.960 0.133 0.000 0.273 990 G HA3 -0.247 3.793 3.960 0.133 0.000 0.273 990 G C 0.387 175.275 174.900 -0.020 0.000 1.036 990 G CA 0.680 45.769 45.100 -0.017 0.000 0.824 990 G HN 0.644 nan 8.290 nan 0.000 0.504 991 V N -4.160 115.750 119.914 -0.007 0.000 3.431 991 V HA 0.544 4.744 4.120 0.133 0.000 0.253 991 V C 0.942 177.037 176.094 0.002 0.000 1.184 991 V CA 0.788 63.090 62.300 0.003 0.000 1.104 991 V CB 0.920 32.762 31.823 0.031 0.000 0.799 991 V HN 0.480 nan 8.190 nan 0.000 0.462 992 V N 3.342 123.254 119.914 -0.002 0.000 2.276 992 V HA 0.526 4.726 4.120 0.133 0.000 0.268 992 V C 0.511 176.597 176.094 -0.013 0.000 1.032 992 V CA -0.761 61.538 62.300 -0.002 0.000 0.810 992 V CB 0.243 32.069 31.823 0.005 0.000 1.060 992 V HN 0.568 nan 8.190 nan 0.000 0.446 993 K N 3.120 123.504 120.400 -0.025 0.000 1.791 993 K HA -0.240 4.160 4.320 0.133 0.000 0.140 993 K C 0.783 177.366 176.600 -0.028 0.000 1.312 993 K CA 1.957 58.226 56.287 -0.030 0.000 0.382 993 K CB -1.037 31.450 32.500 -0.021 0.000 0.635 993 K HN 0.883 nan 8.250 nan 0.000 0.838 994 D N 1.968 122.355 120.400 -0.022 0.000 2.424 994 D HA 0.076 4.796 4.640 0.133 0.000 0.220 994 D C -0.258 176.034 176.300 -0.013 0.000 1.150 994 D CA -0.063 53.926 54.000 -0.019 0.000 0.831 994 D CB -0.273 40.515 40.800 -0.019 0.000 0.981 994 D HN 0.372 nan 8.370 nan 0.000 0.500 995 E N 1.539 121.732 120.200 -0.011 0.000 2.493 995 E HA 0.004 4.434 4.350 0.133 0.000 0.255 995 E C -1.527 175.069 176.600 -0.006 0.000 0.999 995 E CA -1.004 55.392 56.400 -0.007 0.000 0.934 995 E CB 1.066 30.764 29.700 -0.004 0.000 0.940 995 E HN 0.135 nan 8.360 nan 0.000 0.473 996 P HA -0.102 nan 4.420 nan 0.000 0.221 996 P C -0.162 177.136 177.300 -0.002 0.000 1.150 996 P CA 1.064 64.161 63.100 -0.005 0.000 0.800 996 P CB 0.391 32.089 31.700 -0.004 0.000 0.787 997 E N -0.679 119.521 120.200 -0.001 0.000 2.343 997 E HA 0.281 4.711 4.350 0.133 0.000 0.260 997 E C -1.208 175.393 176.600 0.002 0.000 0.908 997 E CA -0.359 56.042 56.400 0.001 0.000 0.814 997 E CB 0.879 30.580 29.700 0.001 0.000 1.302 997 E HN -0.201 nan 8.360 nan 0.000 0.408 998 T N 3.551 118.107 114.554 0.003 0.000 2.829 998 T HA 0.422 4.852 4.350 0.133 0.000 0.280 998 T C -0.187 174.517 174.700 0.006 0.000 0.999 998 T CA -0.760 61.343 62.100 0.004 0.000 0.983 998 T CB 1.155 70.027 68.868 0.005 0.000 0.968 998 T HN 0.330 nan 8.240 nan 0.000 0.446 999 R N 1.810 122.313 120.500 0.004 0.000 2.442 999 R HA 0.514 4.934 4.340 0.133 0.000 0.291 999 R C 0.055 176.359 176.300 0.007 0.000 1.069 999 R CA -0.365 55.739 56.100 0.006 0.000 1.022 999 R CB 0.441 30.742 30.300 0.001 0.000 0.976 999 R HN 0.530 nan 8.270 nan 0.000 0.443 1000 V N -1.051 118.871 119.914 0.014 0.000 3.160 1000 V HA 0.892 5.092 4.120 0.133 0.000 0.310 1000 V C -0.600 175.512 176.094 0.029 0.000 1.181 1000 V CA -1.272 61.039 62.300 0.018 0.000 1.047 1000 V CB 1.992 33.829 31.823 0.022 0.000 1.068 1000 V HN 0.789 nan 8.190 nan 0.000 0.441 1001 A N 1.709 124.547 122.820 0.030 0.000 2.325 1001 A HA 0.941 5.341 4.320 0.133 0.000 0.333 1001 A C -0.792 176.833 177.584 0.067 0.000 1.155 1001 A CA -0.651 51.416 52.037 0.050 0.000 0.814 1001 A CB 0.822 19.843 19.000 0.035 0.000 1.206 1001 A HN 0.935 nan 8.150 nan 0.000 0.482 1002 I N 1.934 122.571 120.570 0.112 0.000 2.439 1002 I HA 0.255 4.505 4.170 0.133 0.000 0.283 1002 I C -0.029 176.199 176.117 0.185 0.000 1.023 1002 I CA -0.086 61.288 61.300 0.124 0.000 1.100 1002 I CB 1.845 39.902 38.000 0.095 0.000 1.238 1002 I HN 0.532 nan 8.210 nan 0.000 0.445 1003 K N 4.447 124.961 120.400 0.189 0.000 2.218 1003 K HA 0.608 5.008 4.320 0.133 0.000 0.276 1003 K C 0.154 176.942 176.600 0.313 0.000 1.022 1003 K CA -0.429 56.026 56.287 0.281 0.000 0.946 1003 K CB 1.436 34.157 32.500 0.367 0.000 1.000 1003 K HN 0.729 nan 8.250 nan 0.000 0.468 1004 T N -2.162 112.484 114.554 0.153 0.000 2.907 1004 T HA 0.602 5.032 4.350 0.133 0.000 0.290 1004 T C -0.364 174.076 174.700 -0.434 0.000 1.066 1004 T CA -0.860 61.195 62.100 -0.076 0.000 1.012 1004 T CB 1.346 70.245 68.868 0.051 0.000 1.184 1004 T HN 0.175 nan 8.240 nan 0.000 0.522 1005 V N 1.861 121.471 119.914 -0.505 0.000 2.628 1005 V HA 0.491 4.691 4.120 0.133 0.000 0.306 1005 V C 0.511 176.498 176.094 -0.178 0.000 1.045 1005 V CA -1.339 60.697 62.300 -0.442 0.000 0.905 1005 V CB 1.633 33.148 31.823 -0.514 0.000 0.997 1005 V HN 1.064 nan 8.190 nan 0.000 0.436 1006 N N 2.200 120.845 118.700 -0.091 0.000 2.412 1006 N HA -0.054 4.766 4.740 0.133 0.000 0.254 1006 N C 1.217 176.698 175.510 -0.049 0.000 1.232 1006 N CA 0.432 53.454 53.050 -0.046 0.000 0.880 1006 N CB 1.420 39.890 38.487 -0.028 0.000 1.076 1006 N HN 0.982 nan 8.380 nan 0.000 0.458 1007 E N 3.304 123.483 120.200 -0.035 0.000 2.160 1007 E HA -0.131 4.299 4.350 0.133 0.000 0.195 1007 E C 0.961 177.547 176.600 -0.024 0.000 0.991 1007 E CA 1.696 58.077 56.400 -0.032 0.000 0.810 1007 E CB -0.252 29.434 29.700 -0.024 0.000 0.742 1007 E HN 0.531 nan 8.360 nan 0.000 0.466 1008 A N 0.414 123.223 122.820 -0.018 0.000 2.412 1008 A HA 0.602 5.002 4.320 0.133 0.000 0.253 1008 A C 0.624 178.203 177.584 -0.008 0.000 1.334 1008 A CA 0.156 52.187 52.037 -0.011 0.000 0.929 1008 A CB -0.616 18.379 19.000 -0.009 0.000 0.983 1008 A HN 0.380 nan 8.150 nan 0.000 0.508 1009 A N 0.569 123.383 122.820 -0.010 0.000 2.306 1009 A HA 0.629 5.029 4.320 0.133 0.000 0.314 1009 A C 0.790 178.378 177.584 0.007 0.000 1.164 1009 A CA 0.118 52.157 52.037 0.004 0.000 0.822 1009 A CB 0.342 19.345 19.000 0.006 0.000 1.130 1009 A HN 0.970 nan 8.150 nan 0.000 0.496 1010 S N 2.333 118.044 115.700 0.020 0.000 2.589 1010 S HA 0.146 4.696 4.470 0.133 0.000 0.265 1010 S C 1.242 175.855 174.600 0.022 0.000 1.342 1010 S CA 0.242 58.454 58.200 0.020 0.000 1.005 1010 S CB 0.259 63.475 63.200 0.027 0.000 0.909 1010 S HN 0.789 nan 8.310 nan 0.000 0.555 1011 M N 0.602 120.214 119.600 0.020 0.000 2.149 1011 M HA -0.138 4.422 4.480 0.133 0.000 0.261 1011 M C 2.511 178.829 176.300 0.031 0.000 1.064 1011 M CA 1.556 56.869 55.300 0.022 0.000 1.102 1011 M CB -0.304 32.309 32.600 0.022 0.000 1.369 1011 M HN 0.897 nan 8.290 nan 0.000 0.408 1012 R N 0.242 120.765 120.500 0.039 0.000 2.083 1012 R HA -0.190 4.230 4.340 0.133 0.000 0.237 1012 R C 1.788 178.130 176.300 0.070 0.000 1.137 1012 R CA 2.131 58.261 56.100 0.051 0.000 0.951 1012 R CB -0.268 30.061 30.300 0.050 0.000 0.851 1012 R HN 0.532 nan 8.270 nan 0.000 0.434 1013 E N -0.294 119.958 120.200 0.087 0.000 2.051 1013 E HA -0.179 4.251 4.350 0.133 0.000 0.192 1013 E C 2.246 178.891 176.600 0.074 0.000 0.991 1013 E CA 1.138 57.633 56.400 0.158 0.000 0.799 1013 E CB -0.006 29.794 29.700 0.167 0.000 0.748 1013 E HN 0.329 nan 8.360 nan 0.000 0.449 1014 R N 0.398 120.906 120.500 0.013 0.000 2.083 1014 R HA -0.143 4.277 4.340 0.133 0.000 0.237 1014 R C 2.427 178.707 176.300 -0.034 0.000 1.137 1014 R CA 1.270 57.353 56.100 -0.027 0.000 0.951 1014 R CB -0.434 29.854 30.300 -0.021 0.000 0.851 1014 R HN 0.222 nan 8.270 nan 0.000 0.434 1015 I N 0.638 121.200 120.570 -0.013 0.000 2.252 1015 I HA -0.251 3.999 4.170 0.133 0.000 0.245 1015 I C 2.682 178.780 176.117 -0.031 0.000 1.102 1015 I CA 1.267 62.564 61.300 -0.005 0.000 1.385 1015 I CB -0.321 37.713 38.000 0.057 0.000 1.064 1015 I HN 0.280 nan 8.210 nan 0.000 0.414 1016 E N 1.160 121.355 120.200 -0.008 0.000 2.077 1016 E HA -0.291 4.139 4.350 0.133 0.000 0.193 1016 E C 2.238 178.717 176.600 -0.202 0.000 0.989 1016 E CA 1.435 57.840 56.400 0.010 0.000 0.800 1016 E CB -0.195 29.610 29.700 0.174 0.000 0.746 1016 E HN 0.403 nan 8.360 nan 0.000 0.452 1017 F N 1.017 120.492 119.950 -0.793 0.000 2.091 1017 F HA -0.230 4.376 4.527 0.131 0.000 0.299 1017 F C 1.872 177.325 175.800 -0.578 0.000 1.103 1017 F CA 1.170 58.417 58.000 -1.255 0.000 1.228 1017 F CB -0.362 37.894 39.000 -1.240 0.000 0.984 1017 F HN 0.105 nan 8.300 nan 0.000 0.477 1018 L N 0.834 121.733 121.223 -0.540 0.000 2.056 1018 L HA -0.192 4.228 4.340 0.133 0.000 0.207 1018 L C 2.063 178.723 176.870 -0.351 0.000 1.078 1018 L CA 1.917 56.381 54.840 -0.627 0.000 0.749 1018 L CB -1.662 39.913 42.059 -0.807 0.000 0.901 1018 L HN 0.217 nan 8.230 nan 0.000 0.433 1019 N N -0.944 117.667 118.700 -0.149 0.000 2.120 1019 N HA -0.176 4.644 4.740 0.133 0.000 0.188 1019 N C 1.659 177.127 175.510 -0.071 0.000 1.024 1019 N CA 1.145 54.182 53.050 -0.022 0.000 0.852 1019 N CB -0.031 38.475 38.487 0.032 0.000 1.003 1019 N HN 0.406 nan 8.380 nan 0.000 0.424 1020 E N 0.609 120.747 120.200 -0.103 0.000 2.051 1020 E HA -0.170 4.260 4.350 0.133 0.000 0.192 1020 E C 2.070 178.600 176.600 -0.118 0.000 0.991 1020 E CA 1.009 57.380 56.400 -0.049 0.000 0.799 1020 E CB -0.111 29.607 29.700 0.030 0.000 0.748 1020 E HN 0.407 nan 8.360 nan 0.000 0.449 1021 A N 0.867 123.519 122.820 -0.279 0.000 1.978 1021 A HA -0.174 4.226 4.320 0.133 0.000 0.220 1021 A C 2.275 179.662 177.584 -0.328 0.000 1.170 1021 A CA 1.520 53.344 52.037 -0.356 0.000 0.636 1021 A CB -0.354 18.309 19.000 -0.561 0.000 0.810 1021 A HN 0.113 nan 8.150 nan 0.000 0.448 1022 S N -0.369 115.174 115.700 -0.261 0.000 2.442 1022 S HA -0.098 4.452 4.470 0.133 0.000 0.236 1022 S C 1.749 176.184 174.600 -0.274 0.000 1.007 1022 S CA 1.182 59.227 58.200 -0.258 0.000 0.965 1022 S CB -0.351 62.784 63.200 -0.108 0.000 0.773 1022 S HN 0.389 nan 8.310 nan 0.000 0.504 1023 V N 2.111 121.915 119.914 -0.183 0.000 2.407 1023 V HA -0.179 4.021 4.120 0.133 0.000 0.248 1023 V C 2.273 178.110 176.094 -0.427 0.000 1.055 1023 V CA 1.301 63.511 62.300 -0.149 0.000 1.049 1023 V CB -0.627 31.254 31.823 0.098 0.000 0.662 1023 V HN 0.499 nan 8.190 nan 0.000 0.455 1024 M N -0.338 119.005 119.600 -0.428 0.000 2.358 1024 M HA -0.139 4.421 4.480 0.133 0.000 0.264 1024 M C 2.042 177.966 176.300 -0.628 0.000 1.064 1024 M CA 1.405 56.398 55.300 -0.511 0.000 1.093 1024 M CB -1.168 31.166 32.600 -0.444 0.000 1.401 1024 M HN 0.375 nan 8.290 nan 0.000 0.440 1025 K N 0.262 120.234 120.400 -0.714 0.000 2.113 1025 K HA -0.190 4.210 4.320 0.133 0.000 0.208 1025 K C 1.897 178.263 176.600 -0.391 0.000 1.047 1025 K CA 1.198 56.982 56.287 -0.839 0.000 0.928 1025 K CB -0.191 31.767 32.500 -0.904 0.000 0.716 1025 K HN 0.430 nan 8.250 nan 0.000 0.446 1026 E N -0.015 119.888 120.200 -0.495 0.000 2.347 1026 E HA -0.063 4.367 4.350 0.133 0.000 0.196 1026 E C -0.485 176.012 176.600 -0.172 0.000 1.008 1026 E CA 0.245 56.441 56.400 -0.340 0.000 0.852 1026 E CB 0.261 29.680 29.700 -0.467 0.000 0.783 1026 E HN 0.028 nan 8.360 nan 0.000 0.505 1027 F N 0.398 120.368 119.950 0.033 0.000 2.399 1027 F HA 0.389 4.995 4.527 0.132 0.000 0.334 1027 F C 0.544 176.377 175.800 0.055 0.000 1.097 1027 F CA -1.239 56.833 58.000 0.119 0.000 1.076 1027 F CB 0.860 39.895 39.000 0.059 0.000 1.162 1027 F HN -0.244 nan 8.300 nan 0.000 0.495 1028 N N 2.021 120.861 118.700 0.234 0.000 2.732 1028 N HA 0.230 5.050 4.740 0.133 0.000 0.247 1028 N C -2.083 173.291 175.510 -0.226 0.000 1.305 1028 N CA 0.072 53.148 53.050 0.042 0.000 0.762 1028 N CB 1.207 39.770 38.487 0.127 0.000 1.361 1028 N HN 0.746 nan 8.380 nan 0.000 0.545 1029 C N 2.538 121.601 119.300 -0.396 0.000 2.783 1029 C HA 0.396 4.936 4.460 0.133 0.000 0.312 1029 C C 1.630 176.463 174.990 -0.263 0.000 1.182 1029 C CA -0.448 58.253 59.018 -0.530 0.000 1.432 1029 C CB 0.708 27.737 27.740 -1.185 0.000 1.933 1029 C HN 0.899 nan 8.230 nan 0.000 0.473 1030 H N 1.198 120.084 119.070 -0.307 0.000 2.456 1030 H HA -0.005 4.631 4.556 0.134 0.000 0.296 1030 H C 1.030 176.118 175.328 -0.400 0.000 1.079 1030 H CA 2.305 58.133 56.048 -0.366 0.000 1.322 1030 H CB 0.020 29.491 29.762 -0.486 0.000 1.388 1030 H HN 0.856 nan 8.280 nan 0.000 0.538 1031 H N -1.263 117.776 119.070 -0.051 0.000 2.507 1031 H HA 0.356 4.992 4.556 0.133 0.000 0.294 1031 H C -0.760 174.514 175.328 -0.091 0.000 1.064 1031 H CA -0.211 55.809 56.048 -0.047 0.000 1.138 1031 H CB 0.687 30.502 29.762 0.088 0.000 1.515 1031 H HN 0.006 nan 8.280 nan 0.000 0.547 1032 V N 1.345 121.202 119.914 -0.094 0.000 2.577 1032 V HA 0.119 4.319 4.120 0.133 0.000 0.303 1032 V C 0.051 176.068 176.094 -0.129 0.000 1.042 1032 V CA -1.173 61.061 62.300 -0.110 0.000 0.872 1032 V CB 2.386 34.104 31.823 -0.176 0.000 0.998 1032 V HN -0.007 nan 8.190 nan 0.000 0.423 1033 V N 5.456 125.305 119.914 -0.108 0.000 2.509 1033 V HA 0.068 4.268 4.120 0.133 0.000 0.297 1033 V C 0.921 176.943 176.094 -0.120 0.000 1.014 1033 V CA 0.235 62.469 62.300 -0.110 0.000 1.127 1033 V CB -0.221 31.550 31.823 -0.087 0.000 0.925 1033 V HN 0.748 nan 8.190 nan 0.000 0.480 1034 R N 3.571 124.015 120.500 -0.093 0.000 2.390 1034 R HA 0.412 4.832 4.340 0.133 0.000 0.291 1034 R C -0.337 175.921 176.300 -0.071 0.000 1.070 1034 R CA -0.741 55.321 56.100 -0.064 0.000 1.014 1034 R CB 0.965 31.252 30.300 -0.023 0.000 1.007 1034 R HN 0.598 nan 8.270 nan 0.000 0.466 1035 L N 4.084 125.242 121.223 -0.109 0.000 2.331 1035 L HA 0.148 4.568 4.340 0.133 0.000 0.278 1035 L C 0.356 177.248 176.870 0.038 0.000 1.106 1035 L CA 0.275 55.024 54.840 -0.152 0.000 0.824 1035 L CB 0.679 42.503 42.059 -0.391 0.000 1.142 1035 L HN 0.690 nan 8.230 nan 0.000 0.443 1036 L N 4.646 125.928 121.223 0.097 0.000 2.537 1036 L HA 0.550 4.970 4.340 0.133 0.000 0.224 1036 L C 0.842 177.904 176.870 0.319 0.000 1.065 1036 L CA 0.312 55.286 54.840 0.224 0.000 0.860 1036 L CB 0.145 42.267 42.059 0.105 0.000 1.086 1036 L HN 0.809 nan 8.230 nan 0.000 0.482 1037 G N -0.733 108.211 108.800 0.239 0.000 2.328 1037 G HA2 0.451 4.491 3.960 0.133 0.000 0.295 1037 G HA3 0.451 4.491 3.960 0.133 0.000 0.295 1037 G C -2.117 172.847 174.900 0.106 0.000 1.413 1037 G CA -0.440 44.812 45.100 0.253 0.000 0.817 1037 G HN -0.316 nan 8.290 nan 0.000 0.546 1038 V N -0.316 119.666 119.914 0.112 0.000 2.760 1038 V HA 0.611 4.811 4.120 0.133 0.000 0.309 1038 V C -0.465 175.650 176.094 0.036 0.000 1.077 1038 V CA -0.654 61.660 62.300 0.022 0.000 0.910 1038 V CB 2.070 33.900 31.823 0.012 0.000 1.008 1038 V HN 0.834 nan 8.190 nan 0.000 0.424 1039 V N 3.800 123.715 119.914 0.002 0.000 2.266 1039 V HA 0.290 4.490 4.120 0.133 0.000 0.271 1039 V C 0.889 176.977 176.094 -0.010 0.000 1.032 1039 V CA 0.376 62.684 62.300 0.013 0.000 0.806 1039 V CB 0.844 32.676 31.823 0.015 0.000 1.052 1039 V HN 1.032 nan 8.190 nan 0.000 0.449 1040 S N 2.396 118.096 115.700 -0.001 0.000 2.497 1040 S HA 0.161 4.711 4.470 0.133 0.000 0.218 1040 S C 0.794 175.417 174.600 0.039 0.000 1.023 1040 S CA -0.177 58.013 58.200 -0.018 0.000 0.913 1040 S CB 0.115 63.313 63.200 -0.003 0.000 0.800 1040 S HN 0.539 nan 8.310 nan 0.000 0.505 1041 Q N 2.301 122.131 119.800 0.051 0.000 2.344 1041 Q HA 0.594 5.014 4.340 0.133 0.000 0.253 1041 Q C 0.633 176.647 176.000 0.023 0.000 1.050 1041 Q CA 1.126 56.955 55.803 0.043 0.000 0.912 1041 Q CB 0.371 29.135 28.738 0.043 0.000 1.258 1041 Q HN 0.686 nan 8.270 nan 0.000 0.443 1042 G N 2.641 111.452 108.800 0.018 0.000 2.725 1042 G HA2 -0.218 3.822 3.960 0.133 0.000 0.220 1042 G HA3 -0.218 3.822 3.960 0.133 0.000 0.220 1042 G C -0.935 173.964 174.900 -0.001 0.000 1.357 1042 G CA -0.837 44.267 45.100 0.007 0.000 0.866 1042 G HN 0.532 nan 8.290 nan 0.000 0.548 1043 Q N 0.393 120.188 119.800 -0.009 0.000 2.377 1043 Q HA 0.616 5.036 4.340 0.133 0.000 0.271 1043 Q C -1.993 173.991 176.000 -0.026 0.000 1.077 1043 Q CA -1.520 54.272 55.803 -0.019 0.000 0.820 1043 Q CB 2.216 30.942 28.738 -0.020 0.000 1.347 1043 Q HN 0.686 nan 8.270 nan 0.000 0.444 1044 P HA 0.090 nan 4.420 nan 0.000 0.275 1044 P C -0.852 176.430 177.300 -0.029 0.000 1.228 1044 P CA -0.353 62.720 63.100 -0.045 0.000 0.786 1044 P CB 0.728 32.390 31.700 -0.064 0.000 0.927 1045 T N 2.894 117.429 114.554 -0.031 0.000 2.834 1045 T HA 0.365 4.795 4.350 0.133 0.000 0.298 1045 T C 0.349 175.109 174.700 0.100 0.000 0.966 1045 T CA -0.008 62.104 62.100 0.020 0.000 1.141 1045 T CB -0.118 68.763 68.868 0.023 0.000 0.905 1045 T HN 0.223 nan 8.240 nan 0.000 0.535 1046 L N 2.724 124.023 121.223 0.127 0.000 2.354 1046 L HA 0.803 5.223 4.340 0.133 0.000 0.264 1046 L C -0.759 176.176 176.870 0.109 0.000 1.008 1046 L CA -1.333 53.603 54.840 0.159 0.000 0.819 1046 L CB 2.146 44.241 42.059 0.060 0.000 1.339 1046 L HN 0.280 nan 8.230 nan 0.000 0.420 1047 V N 3.058 123.032 119.914 0.100 0.000 2.525 1047 V HA 0.437 4.637 4.120 0.133 0.000 0.299 1047 V C -0.442 175.651 176.094 -0.001 0.000 1.034 1047 V CA -0.465 61.797 62.300 -0.064 0.000 0.863 1047 V CB 2.140 33.784 31.823 -0.299 0.000 0.999 1047 V HN 0.387 nan 8.190 nan 0.000 0.423 1048 I N 5.777 126.343 120.570 -0.007 0.000 2.331 1048 I HA 0.596 4.846 4.170 0.133 0.000 0.292 1048 I C 0.044 176.162 176.117 0.001 0.000 0.998 1048 I CA -0.172 61.139 61.300 0.018 0.000 1.267 1048 I CB 1.078 39.101 38.000 0.038 0.000 1.386 1048 I HN 0.556 nan 8.210 nan 0.000 0.476 1049 M N 3.022 122.623 119.600 0.002 0.000 2.664 1049 M HA 0.367 4.927 4.480 0.133 0.000 0.279 1049 M C -0.055 176.240 176.300 -0.008 0.000 1.275 1049 M CA -0.872 54.417 55.300 -0.018 0.000 0.829 1049 M CB 2.554 35.127 32.600 -0.045 0.000 1.727 1049 M HN 0.482 nan 8.290 nan 0.000 0.459 1050 E N 1.600 121.786 120.200 -0.023 0.000 2.452 1050 E HA 0.085 4.515 4.350 0.133 0.000 0.261 1050 E C -1.386 175.199 176.600 -0.026 0.000 0.987 1050 E CA -0.302 56.082 56.400 -0.027 0.000 0.926 1050 E CB 0.756 30.425 29.700 -0.051 0.000 0.934 1050 E HN 0.428 nan 8.360 nan 0.000 0.452 1051 L N 5.620 126.830 121.223 -0.021 0.000 2.319 1051 L HA 0.205 4.625 4.340 0.133 0.000 0.280 1051 L C -0.796 176.052 176.870 -0.036 0.000 1.099 1051 L CA 0.176 55.005 54.840 -0.018 0.000 0.828 1051 L CB 1.003 43.056 42.059 -0.010 0.000 1.150 1051 L HN 0.590 nan 8.230 nan 0.000 0.442 1052 M N 5.145 124.725 119.600 -0.033 0.000 2.065 1052 M HA 0.190 4.750 4.480 0.133 0.000 0.332 1052 M C 1.223 177.497 176.300 -0.045 0.000 0.988 1052 M CA -0.224 55.047 55.300 -0.048 0.000 0.944 1052 M CB 0.589 33.166 32.600 -0.039 0.000 1.357 1052 M HN 0.787 nan 8.290 nan 0.000 0.388 1053 T N -0.409 114.107 114.554 -0.064 0.000 2.881 1053 T HA -0.075 4.355 4.350 0.133 0.000 0.270 1053 T C 1.349 176.017 174.700 -0.053 0.000 1.068 1053 T CA 1.079 63.145 62.100 -0.056 0.000 1.131 1053 T CB -0.038 68.788 68.868 -0.070 0.000 0.871 1053 T HN 0.622 nan 8.240 nan 0.000 0.479 1054 R N 1.348 121.798 120.500 -0.084 0.000 2.320 1054 R HA 0.444 4.864 4.340 0.133 0.000 0.211 1054 R C 1.506 177.830 176.300 0.039 0.000 0.931 1054 R CA 0.177 56.251 56.100 -0.043 0.000 1.071 1054 R CB -0.286 29.927 30.300 -0.144 0.000 1.025 1054 R HN 0.606 nan 8.270 nan 0.000 0.495 1055 G N 2.200 111.017 108.800 0.029 0.000 2.693 1055 G HA2 -0.333 3.707 3.960 0.133 0.000 0.226 1055 G HA3 -0.333 3.707 3.960 0.133 0.000 0.226 1055 G C -0.795 174.158 174.900 0.089 0.000 1.354 1055 G CA -0.236 44.905 45.100 0.068 0.000 0.873 1055 G HN 0.537 nan 8.290 nan 0.000 0.562 1056 D N -0.665 119.813 120.400 0.129 0.000 2.362 1056 D HA 0.383 5.103 4.640 0.133 0.000 0.242 1056 D C 1.586 177.979 176.300 0.156 0.000 1.132 1056 D CA -0.158 53.926 54.000 0.139 0.000 0.907 1056 D CB 0.872 41.783 40.800 0.185 0.000 1.195 1056 D HN 0.723 nan 8.370 nan 0.000 0.429 1057 L N 1.607 122.905 121.223 0.126 0.000 2.079 1057 L HA -0.143 4.277 4.340 0.133 0.000 0.210 1057 L C 2.094 179.063 176.870 0.165 0.000 1.081 1057 L CA 1.844 56.781 54.840 0.162 0.000 0.752 1057 L CB -0.807 41.321 42.059 0.116 0.000 0.896 1057 L HN 0.695 nan 8.230 nan 0.000 0.433 1058 K N -1.198 119.244 120.400 0.070 0.000 2.026 1058 K HA -0.151 4.249 4.320 0.133 0.000 0.208 1058 K C 2.065 178.714 176.600 0.081 0.000 1.048 1058 K CA 1.689 57.975 56.287 -0.000 0.000 0.929 1058 K CB -0.109 32.225 32.500 -0.277 0.000 0.713 1058 K HN 0.372 nan 8.250 nan 0.000 0.439 1059 S N 0.057 115.857 115.700 0.166 0.000 2.368 1059 S HA -0.179 4.371 4.470 0.133 0.000 0.225 1059 S C 1.624 176.315 174.600 0.151 0.000 1.030 1059 S CA 1.333 59.647 58.200 0.190 0.000 0.999 1059 S CB -0.503 62.829 63.200 0.219 0.000 0.844 1059 S HN 0.446 nan 8.310 nan 0.000 0.459 1060 Y N 2.378 122.728 120.300 0.083 0.000 2.145 1060 Y HA -0.120 4.510 4.550 0.132 0.000 0.286 1060 Y C 1.880 177.823 175.900 0.072 0.000 1.145 1060 Y CA 1.327 59.477 58.100 0.083 0.000 1.148 1060 Y CB -0.547 37.969 38.460 0.095 0.000 0.981 1060 Y HN 0.126 nan 8.280 nan 0.000 0.507 1061 L N -0.032 121.187 121.223 -0.006 0.000 2.017 1061 L HA -0.245 4.175 4.340 0.133 0.000 0.208 1061 L C 2.678 179.475 176.870 -0.122 0.000 1.073 1061 L CA 1.694 56.474 54.840 -0.099 0.000 0.745 1061 L CB -0.565 41.513 42.059 0.031 0.000 0.894 1061 L HN 0.149 nan 8.230 nan 0.000 0.432 1062 R N -0.145 120.331 120.500 -0.040 0.000 2.120 1062 R HA -0.144 4.276 4.340 0.133 0.000 0.234 1062 R C 2.535 178.803 176.300 -0.052 0.000 1.123 1062 R CA 1.603 57.690 56.100 -0.022 0.000 0.975 1062 R CB -0.452 29.872 30.300 0.040 0.000 0.866 1062 R HN 0.488 nan 8.270 nan 0.000 0.446 1063 S N 0.676 116.327 115.700 -0.081 0.000 2.474 1063 S HA -0.037 4.513 4.470 0.133 0.000 0.235 1063 S C 1.824 176.345 174.600 -0.133 0.000 0.997 1063 S CA 0.742 58.891 58.200 -0.085 0.000 0.949 1063 S CB -0.186 62.976 63.200 -0.064 0.000 0.766 1063 S HN 0.265 nan 8.310 nan 0.000 0.517 1064 L N 0.129 121.227 121.223 -0.209 0.000 2.558 1064 L HA 0.239 4.659 4.340 0.133 0.000 0.225 1064 L C 1.072 177.873 176.870 -0.115 0.000 1.128 1064 L CA -0.043 54.683 54.840 -0.190 0.000 0.868 1064 L CB -0.224 41.672 42.059 -0.271 0.000 1.006 1064 L HN 0.132 nan 8.230 nan 0.000 0.454 1065 R N 1.009 121.455 120.500 -0.090 0.000 2.543 1065 R HA 0.199 4.619 4.340 0.133 0.000 0.277 1065 R C -2.106 174.164 176.300 -0.050 0.000 1.074 1065 R CA -1.742 54.319 56.100 -0.066 0.000 1.076 1065 R CB -0.130 30.140 30.300 -0.050 0.000 0.993 1065 R HN -0.135 nan 8.270 nan 0.000 0.459 1066 P HA -0.051 nan 4.420 nan 0.000 0.265 1066 P C 0.018 177.303 177.300 -0.024 0.000 1.193 1066 P CA 0.151 63.231 63.100 -0.033 0.000 0.765 1066 P CB 0.704 32.384 31.700 -0.032 0.000 0.823 1067 E N 2.419 122.608 120.200 -0.019 0.000 2.204 1067 E HA -0.072 4.358 4.350 0.133 0.000 0.194 1067 E C 0.729 177.324 176.600 -0.009 0.000 0.989 1067 E CA 0.875 57.268 56.400 -0.012 0.000 0.824 1067 E CB -0.338 29.357 29.700 -0.008 0.000 0.756 1067 E HN 0.449 nan 8.360 nan 0.000 0.477 1068 M N -0.487 119.107 119.600 -0.011 0.000 3.037 1068 M HA -0.177 4.383 4.480 0.133 0.000 0.220 1068 M C 0.048 176.344 176.300 -0.007 0.000 0.559 1068 M CA 0.701 55.996 55.300 -0.009 0.000 0.838 1068 M CB -1.273 31.323 32.600 -0.007 0.000 2.985 1068 M HN 0.150 nan 8.290 nan 0.000 0.320 1069 E N 0.539 120.735 120.200 -0.006 0.000 2.284 1069 E HA 0.356 4.786 4.350 0.133 0.000 0.255 1069 E C -0.142 176.454 176.600 -0.006 0.000 1.052 1069 E CA -0.530 55.867 56.400 -0.005 0.000 0.904 1069 E CB 0.487 30.186 29.700 -0.003 0.000 1.217 1069 E HN 0.359 nan 8.360 nan 0.000 0.438 1070 N N 0.303 119.000 118.700 -0.005 0.000 2.383 1070 N HA 0.032 4.852 4.740 0.133 0.000 0.192 1070 N C -0.615 174.892 175.510 -0.006 0.000 1.141 1070 N CA -0.018 53.029 53.050 -0.006 0.000 0.851 1070 N CB -0.052 38.431 38.487 -0.005 0.000 0.976 1070 N HN 0.339 nan 8.380 nan 0.000 0.465 1071 N N 1.477 120.173 118.700 -0.005 0.000 2.467 1071 N HA 0.216 5.036 4.740 0.133 0.000 0.262 1071 N C -2.268 173.238 175.510 -0.007 0.000 1.234 1071 N CA -0.722 52.325 53.050 -0.005 0.000 0.952 1071 N CB 0.210 38.696 38.487 -0.003 0.000 1.158 1071 N HN 0.008 nan 8.380 nan 0.000 0.463 1072 P HA 0.176 nan 4.420 nan 0.000 0.270 1072 P C -1.082 176.212 177.300 -0.010 0.000 1.223 1072 P CA -0.298 62.797 63.100 -0.008 0.000 0.785 1072 P CB 0.658 32.354 31.700 -0.006 0.000 0.923 1073 V N 2.205 122.110 119.914 -0.014 0.000 3.012 1073 V HA 0.308 4.508 4.120 0.133 0.000 0.307 1073 V C -0.879 175.202 176.094 -0.022 0.000 1.166 1073 V CA -1.081 61.208 62.300 -0.018 0.000 0.974 1073 V CB 1.960 33.769 31.823 -0.023 0.000 1.040 1073 V HN 0.337 nan 8.190 nan 0.000 0.428 1074 L N 4.913 126.121 121.223 -0.025 0.000 2.453 1074 L HA 0.475 4.895 4.340 0.133 0.000 0.272 1074 L C 1.024 177.870 176.870 -0.040 0.000 1.182 1074 L CA 0.462 55.284 54.840 -0.030 0.000 0.858 1074 L CB 1.173 43.213 42.059 -0.032 0.000 1.120 1074 L HN 0.908 nan 8.230 nan 0.000 0.474 1075 A N 6.302 129.098 122.820 -0.040 0.000 2.448 1075 A HA 0.385 4.785 4.320 0.133 0.000 0.239 1075 A C -2.007 175.544 177.584 -0.054 0.000 1.080 1075 A CA -0.977 51.033 52.037 -0.044 0.000 0.779 1075 A CB -0.611 18.365 19.000 -0.041 0.000 1.026 1075 A HN 0.564 nan 8.150 nan 0.000 0.499 1076 P HA 0.273 nan 4.420 nan 0.000 0.270 1076 P C -2.559 174.705 177.300 -0.061 0.000 1.223 1076 P CA -0.990 62.069 63.100 -0.068 0.000 0.785 1076 P CB -0.895 30.761 31.700 -0.075 0.000 0.923 1077 P HA -0.029 nan 4.420 nan 0.000 0.263 1077 P C 0.396 177.668 177.300 -0.047 0.000 1.175 1077 P CA 0.394 63.467 63.100 -0.045 0.000 0.761 1077 P CB 0.027 31.716 31.700 -0.018 0.000 0.794 1078 S N 2.709 118.380 115.700 -0.047 0.000 2.589 1078 S HA 0.027 4.577 4.470 0.133 0.000 0.265 1078 S C 1.163 175.739 174.600 -0.041 0.000 1.342 1078 S CA -0.607 57.566 58.200 -0.044 0.000 1.005 1078 S CB 0.189 63.363 63.200 -0.043 0.000 0.909 1078 S HN 0.368 nan 8.310 nan 0.000 0.555 1079 L N 1.796 122.996 121.223 -0.039 0.000 2.012 1079 L HA -0.084 4.336 4.340 0.133 0.000 0.210 1079 L C 2.511 179.359 176.870 -0.037 0.000 1.073 1079 L CA 2.224 57.042 54.840 -0.037 0.000 0.748 1079 L CB -1.481 40.558 42.059 -0.033 0.000 0.891 1079 L HN 0.855 nan 8.230 nan 0.000 0.431 1080 S N -0.538 115.139 115.700 -0.038 0.000 2.383 1080 S HA -0.160 4.390 4.470 0.133 0.000 0.229 1080 S C 1.906 176.482 174.600 -0.040 0.000 1.030 1080 S CA 1.169 59.345 58.200 -0.040 0.000 1.002 1080 S CB -0.284 62.893 63.200 -0.037 0.000 0.829 1080 S HN 0.412 nan 8.310 nan 0.000 0.467 1081 K N 1.087 121.464 120.400 -0.039 0.000 2.097 1081 K HA 0.100 4.500 4.320 0.133 0.000 0.205 1081 K C 2.031 178.620 176.600 -0.019 0.000 1.050 1081 K CA 0.936 57.202 56.287 -0.034 0.000 0.938 1081 K CB -0.421 32.052 32.500 -0.046 0.000 0.718 1081 K HN 0.443 nan 8.250 nan 0.000 0.442 1082 M N 0.179 119.765 119.600 -0.023 0.000 2.175 1082 M HA -0.095 4.465 4.480 0.133 0.000 0.264 1082 M C 2.234 178.518 176.300 -0.025 0.000 1.063 1082 M CA 1.386 56.673 55.300 -0.021 0.000 1.119 1082 M CB -0.379 32.202 32.600 -0.033 0.000 1.377 1082 M HN 0.025 nan 8.290 nan 0.000 0.415 1083 I N -0.161 120.388 120.570 -0.035 0.000 2.252 1083 I HA -0.276 3.974 4.170 0.133 0.000 0.245 1083 I C 2.622 178.703 176.117 -0.060 0.000 1.102 1083 I CA 1.133 62.407 61.300 -0.044 0.000 1.385 1083 I CB -0.414 37.553 38.000 -0.056 0.000 1.064 1083 I HN 0.280 nan 8.210 nan 0.000 0.414 1084 Q N 1.164 120.927 119.800 -0.060 0.000 2.061 1084 Q HA -0.229 4.191 4.340 0.133 0.000 0.204 1084 Q C 2.208 178.191 176.000 -0.029 0.000 0.984 1084 Q CA 2.084 57.848 55.803 -0.065 0.000 0.846 1084 Q CB -0.215 28.506 28.738 -0.027 0.000 0.902 1084 Q HN 0.409 nan 8.270 nan 0.000 0.421 1085 M N -0.784 118.818 119.600 0.004 0.000 2.086 1085 M HA -0.167 4.393 4.480 0.133 0.000 0.261 1085 M C 2.214 178.544 176.300 0.050 0.000 1.067 1085 M CA 1.544 56.863 55.300 0.031 0.000 1.116 1085 M CB -0.543 32.081 32.600 0.039 0.000 1.348 1085 M HN 0.367 nan 8.290 nan 0.000 0.407 1086 A N 0.680 123.528 122.820 0.048 0.000 1.892 1086 A HA -0.123 4.277 4.320 0.133 0.000 0.218 1086 A C 2.343 180.077 177.584 0.249 0.000 1.188 1086 A CA 2.156 54.287 52.037 0.156 0.000 0.631 1086 A CB -1.616 17.448 19.000 0.107 0.000 0.822 1086 A HN 0.574 nan 8.150 nan 0.000 0.447 1087 G N -0.676 108.147 108.800 0.039 0.000 2.418 1087 G HA2 -0.188 3.852 3.960 0.133 0.000 0.217 1087 G HA3 -0.188 3.852 3.960 0.133 0.000 0.217 1087 G C 1.439 176.324 174.900 -0.025 0.000 1.158 1087 G CA 1.000 46.045 45.100 -0.092 0.000 0.771 1087 G HN 0.668 nan 8.290 nan 0.000 0.545 1088 E N 0.051 120.204 120.200 -0.078 0.000 2.072 1088 E HA -0.039 4.391 4.350 0.133 0.000 0.191 1088 E C 2.503 179.043 176.600 -0.100 0.000 0.985 1088 E CA 0.610 56.829 56.400 -0.302 0.000 0.801 1088 E CB -0.132 29.489 29.700 -0.132 0.000 0.750 1088 E HN 0.481 nan 8.360 nan 0.000 0.452 1089 I N 1.288 121.904 120.570 0.076 0.000 2.179 1089 I HA -0.261 3.989 4.170 0.133 0.000 0.242 1089 I C 2.570 178.742 176.117 0.092 0.000 1.088 1089 I CA 1.030 62.419 61.300 0.149 0.000 1.357 1089 I CB -0.326 37.840 38.000 0.277 0.000 1.051 1089 I HN 0.076 nan 8.210 nan 0.000 0.409 1090 A N 0.245 123.149 122.820 0.139 0.000 1.933 1090 A HA -0.306 4.094 4.320 0.133 0.000 0.218 1090 A C 1.969 179.527 177.584 -0.043 0.000 1.175 1090 A CA 2.385 54.342 52.037 -0.133 0.000 0.628 1090 A CB -0.764 18.160 19.000 -0.126 0.000 0.814 1090 A HN 0.478 nan 8.150 nan 0.000 0.444 1091 D N -0.900 119.570 120.400 0.116 0.000 2.117 1091 D HA -0.023 4.697 4.640 0.133 0.000 0.198 1091 D C 2.017 178.445 176.300 0.214 0.000 0.982 1091 D CA 1.604 55.771 54.000 0.277 0.000 0.828 1091 D CB -0.386 40.631 40.800 0.362 0.000 0.967 1091 D HN 0.296 nan 8.370 nan 0.000 0.464 1092 G N 0.067 108.935 108.800 0.114 0.000 2.418 1092 G HA2 -0.235 3.805 3.960 0.133 0.000 0.217 1092 G HA3 -0.235 3.805 3.960 0.133 0.000 0.217 1092 G C 1.518 176.370 174.900 -0.080 0.000 1.158 1092 G CA 0.760 45.895 45.100 0.058 0.000 0.771 1092 G HN 0.165 nan 8.290 nan 0.000 0.545 1093 M N 1.183 120.607 119.600 -0.293 0.000 2.132 1093 M HA 0.106 4.666 4.480 0.133 0.000 0.263 1093 M C 2.999 179.016 176.300 -0.471 0.000 1.065 1093 M CA 1.122 56.034 55.300 -0.646 0.000 1.122 1093 M CB -1.285 30.329 32.600 -1.643 0.000 1.365 1093 M HN 0.314 nan 8.290 nan 0.000 0.411 1094 A N -1.050 121.637 122.820 -0.223 0.000 1.933 1094 A HA -0.223 4.177 4.320 0.133 0.000 0.218 1094 A C 2.165 179.603 177.584 -0.244 0.000 1.175 1094 A CA 1.422 53.511 52.037 0.088 0.000 0.628 1094 A CB -1.108 18.147 19.000 0.426 0.000 0.814 1094 A HN 0.533 nan 8.150 nan 0.000 0.444 1095 Y N 0.535 120.502 120.300 -0.556 0.000 2.114 1095 Y HA -0.165 4.464 4.550 0.132 0.000 0.284 1095 Y C 1.970 177.532 175.900 -0.563 0.000 1.143 1095 Y CA 1.893 59.385 58.100 -1.012 0.000 1.135 1095 Y CB -0.296 37.816 38.460 -0.581 0.000 0.980 1095 Y HN 0.206 nan 8.280 nan 0.000 0.499 1096 L N 0.730 121.742 121.223 -0.352 0.000 2.042 1096 L HA -0.306 4.114 4.340 0.133 0.000 0.210 1096 L C 2.577 179.353 176.870 -0.156 0.000 1.076 1096 L CA 1.950 56.602 54.840 -0.313 0.000 0.749 1096 L CB -0.878 41.063 42.059 -0.196 0.000 0.893 1096 L HN 0.465 nan 8.230 nan 0.000 0.432 1097 N N 0.524 119.155 118.700 -0.115 0.000 2.166 1097 N HA -0.180 4.640 4.740 0.133 0.000 0.186 1097 N C 1.818 177.294 175.510 -0.056 0.000 1.019 1097 N CA 1.360 54.402 53.050 -0.014 0.000 0.856 1097 N CB 0.144 38.687 38.487 0.092 0.000 0.993 1097 N HN 0.314 nan 8.380 nan 0.000 0.426 1098 A N 0.801 123.516 122.820 -0.175 0.000 2.015 1098 A HA -0.036 4.364 4.320 0.133 0.000 0.219 1098 A C 1.579 179.077 177.584 -0.144 0.000 1.163 1098 A CA 0.853 52.809 52.037 -0.135 0.000 0.646 1098 A CB -0.272 18.604 19.000 -0.207 0.000 0.806 1098 A HN 0.410 nan 8.150 nan 0.000 0.448 1099 N N -0.032 118.539 118.700 -0.215 0.000 2.313 1099 N HA 0.060 4.880 4.740 0.133 0.000 0.207 1099 N C -0.575 175.028 175.510 0.155 0.000 1.141 1099 N CA 0.391 53.427 53.050 -0.023 0.000 0.830 1099 N CB 0.158 38.619 38.487 -0.043 0.000 1.008 1099 N HN 0.478 nan 8.380 nan 0.000 0.481 1100 K N -0.628 119.797 120.400 0.042 0.000 3.281 1100 K HA -0.182 4.218 4.320 0.133 0.000 0.295 1100 K C -0.689 175.841 176.600 -0.116 0.000 1.233 1100 K CA 0.686 56.950 56.287 -0.038 0.000 0.866 1100 K CB -1.909 30.536 32.500 -0.091 0.000 1.265 1100 K HN 0.087 nan 8.250 nan 0.000 0.482 1101 F N 0.234 120.171 119.950 -0.022 0.000 2.397 1101 F HA 0.434 5.040 4.527 0.132 0.000 0.331 1101 F C 0.782 176.566 175.800 -0.027 0.000 1.090 1101 F CA -0.936 57.058 58.000 -0.011 0.000 1.065 1101 F CB 1.440 40.449 39.000 0.016 0.000 1.184 1101 F HN -0.279 nan 8.300 nan 0.000 0.499 1102 V N 3.341 123.345 119.914 0.151 0.000 2.409 1102 V HA 0.131 4.331 4.120 0.133 0.000 0.291 1102 V C 0.812 176.967 176.094 0.103 0.000 1.020 1102 V CA -0.590 61.782 62.300 0.119 0.000 0.848 1102 V CB 1.182 33.056 31.823 0.086 0.000 0.990 1102 V HN 0.842 nan 8.190 nan 0.000 0.430 1103 H N 5.067 124.144 119.070 0.012 0.000 2.333 1103 H HA -0.021 4.613 4.556 0.130 0.000 0.302 1103 H C 1.541 176.798 175.328 -0.118 0.000 1.075 1103 H CA 2.033 58.016 56.048 -0.110 0.000 1.348 1103 H CB 0.415 30.135 29.762 -0.068 0.000 1.393 1103 H HN 0.749 nan 8.280 nan 0.000 0.509 1104 R N -0.870 119.742 120.500 0.186 0.000 3.884 1104 R HA -0.183 4.237 4.340 0.133 0.000 0.464 1104 R C -0.239 176.136 176.300 0.125 0.000 0.963 1104 R CA 1.344 57.454 56.100 0.018 0.000 1.408 1104 R CB -1.512 28.500 30.300 -0.480 0.000 2.054 1104 R HN 0.324 nan 8.270 nan 0.000 0.522 1105 D N -0.061 120.571 120.400 0.386 0.000 2.865 1105 D HA 0.147 4.867 4.640 0.133 0.000 0.347 1105 D C -1.011 175.422 176.300 0.221 0.000 1.498 1105 D CA -0.487 53.693 54.000 0.299 0.000 0.787 1105 D CB 0.381 41.309 40.800 0.213 0.000 1.190 1105 D HN 0.042 nan 8.370 nan 0.000 0.445 1106 L N 1.714 122.974 121.223 0.063 0.000 2.477 1106 L HA 0.553 4.973 4.340 0.133 0.000 0.272 1106 L C -0.365 176.518 176.870 0.023 0.000 1.157 1106 L CA 0.404 55.153 54.840 -0.151 0.000 0.889 1106 L CB 0.121 42.165 42.059 -0.026 0.000 1.158 1106 L HN 0.221 nan 8.230 nan 0.000 0.473 1107 A N 3.913 126.692 122.820 -0.068 0.000 2.583 1107 A HA 0.662 5.062 4.320 0.133 0.000 0.292 1107 A C 0.468 178.025 177.584 -0.046 0.000 1.045 1107 A CA -0.172 51.773 52.037 -0.154 0.000 0.672 1107 A CB 0.138 18.617 19.000 -0.868 0.000 1.283 1107 A HN 1.045 nan 8.150 nan 0.000 0.419 1108 A N 0.740 123.590 122.820 0.050 0.000 1.940 1108 A HA -0.164 4.236 4.320 0.133 0.000 0.219 1108 A C 1.936 179.505 177.584 -0.025 0.000 1.176 1108 A CA 2.123 54.188 52.037 0.046 0.000 0.631 1108 A CB -0.644 18.416 19.000 0.099 0.000 0.814 1108 A HN 1.152 nan 8.150 nan 0.000 0.446 1109 R N -0.888 119.519 120.500 -0.154 0.000 2.193 1109 R HA -0.024 4.396 4.340 0.133 0.000 0.229 1109 R C 0.266 176.590 176.300 0.040 0.000 1.110 1109 R CA 1.500 57.514 56.100 -0.144 0.000 0.988 1109 R CB -0.416 29.660 30.300 -0.373 0.000 0.871 1109 R HN 0.350 nan 8.270 nan 0.000 0.458 1110 N N 0.013 118.731 118.700 0.029 0.000 2.238 1110 N HA 0.128 4.948 4.740 0.133 0.000 0.222 1110 N C -0.825 174.757 175.510 0.120 0.000 1.133 1110 N CA -0.093 53.029 53.050 0.121 0.000 0.854 1110 N CB 0.571 39.166 38.487 0.179 0.000 1.041 1110 N HN 0.146 nan 8.380 nan 0.000 0.510 1111 C N 0.739 120.087 119.300 0.080 0.000 2.562 1111 C HA 0.615 5.155 4.460 0.133 0.000 0.332 1111 C C -0.005 175.027 174.990 0.070 0.000 1.201 1111 C CA -0.771 58.291 59.018 0.073 0.000 1.803 1111 C CB 1.519 29.297 27.740 0.063 0.000 2.328 1111 C HN 0.177 nan 8.230 nan 0.000 0.500 1112 M N 1.798 121.427 119.600 0.048 0.000 2.591 1112 M HA 0.574 5.134 4.480 0.133 0.000 0.306 1112 M C -0.932 175.363 176.300 -0.008 0.000 1.190 1112 M CA -0.568 54.749 55.300 0.028 0.000 0.889 1112 M CB 1.783 34.392 32.600 0.016 0.000 1.728 1112 M HN 0.358 nan 8.290 nan 0.000 0.458 1113 V N 1.406 121.295 119.914 -0.043 0.000 2.448 1113 V HA 0.760 4.960 4.120 0.133 0.000 0.295 1113 V C 0.283 176.293 176.094 -0.140 0.000 1.025 1113 V CA -1.040 61.184 62.300 -0.126 0.000 0.859 1113 V CB 1.187 32.844 31.823 -0.278 0.000 0.988 1113 V HN 0.994 nan 8.190 nan 0.000 0.431 1114 A N 2.594 125.330 122.820 -0.140 0.000 2.272 1114 A HA 0.558 4.958 4.320 0.133 0.000 0.275 1114 A C 1.255 178.692 177.584 -0.245 0.000 1.096 1114 A CA -0.087 51.863 52.037 -0.145 0.000 0.822 1114 A CB 0.399 19.337 19.000 -0.102 0.000 1.088 1114 A HN 0.895 nan 8.150 nan 0.000 0.495 1115 E N 0.504 120.575 120.200 -0.215 0.000 2.114 1115 E HA -0.238 4.192 4.350 0.133 0.000 0.199 1115 E C 1.066 177.445 176.600 -0.370 0.000 1.008 1115 E CA 2.253 58.487 56.400 -0.276 0.000 0.810 1115 E CB -0.170 29.443 29.700 -0.144 0.000 0.739 1115 E HN 0.742 nan 8.360 nan 0.000 0.456 1116 D N -1.292 119.002 120.400 -0.177 0.000 2.324 1116 D HA -0.111 4.609 4.640 0.133 0.000 0.235 1116 D C 0.048 176.420 176.300 0.121 0.000 1.095 1116 D CA -0.022 53.966 54.000 -0.021 0.000 0.871 1116 D CB -0.647 40.190 40.800 0.060 0.000 0.906 1116 D HN 0.318 nan 8.370 nan 0.000 0.522 1117 F N -1.446 118.471 119.950 -0.054 0.000 2.794 1117 F HA -0.246 4.361 4.527 0.132 0.000 0.335 1117 F C 0.452 176.202 175.800 -0.084 0.000 0.653 1117 F CA 0.814 58.743 58.000 -0.118 0.000 1.266 1117 F CB -2.631 36.314 39.000 -0.091 0.000 1.666 1117 F HN -0.106 nan 8.300 nan 0.000 0.314 1118 T N 1.985 116.596 114.554 0.094 0.000 2.888 1118 T HA 0.423 4.853 4.350 0.133 0.000 0.301 1118 T C 0.519 175.251 174.700 0.054 0.000 1.001 1118 T CA -0.176 61.993 62.100 0.115 0.000 1.147 1118 T CB 1.282 70.224 68.868 0.124 0.000 0.931 1118 T HN 0.044 nan 8.240 nan 0.000 0.541 1119 V N 4.912 124.878 119.914 0.087 0.000 2.539 1119 V HA 0.473 4.673 4.120 0.133 0.000 0.292 1119 V C 0.264 176.416 176.094 0.097 0.000 1.045 1119 V CA -0.479 61.855 62.300 0.055 0.000 0.945 1119 V CB 1.446 33.300 31.823 0.052 0.000 0.993 1119 V HN 0.772 nan 8.190 nan 0.000 0.464 1120 K N 3.485 123.919 120.400 0.058 0.000 2.482 1120 K HA 0.577 4.977 4.320 0.133 0.000 0.257 1120 K C -1.310 175.321 176.600 0.052 0.000 0.969 1120 K CA -1.033 55.291 56.287 0.061 0.000 0.842 1120 K CB 2.263 34.756 32.500 -0.012 0.000 1.359 1120 K HN 0.326 nan 8.250 nan 0.000 0.441 1121 I N 2.536 123.139 120.570 0.055 0.000 2.598 1121 I HA 0.024 4.274 4.170 0.133 0.000 0.284 1121 I C 1.211 177.377 176.117 0.081 0.000 1.140 1121 I CA 0.516 61.866 61.300 0.084 0.000 1.420 1121 I CB -0.218 37.842 38.000 0.101 0.000 1.387 1121 I HN 0.756 nan 8.210 nan 0.000 0.553 1122 G N 4.985 113.861 108.800 0.126 0.000 2.516 1122 G HA2 0.100 4.140 3.960 0.133 0.000 0.276 1122 G HA3 0.100 4.140 3.960 0.133 0.000 0.276 1122 G C -0.431 174.503 174.900 0.057 0.000 1.390 1122 G CA -0.324 44.827 45.100 0.085 0.000 1.050 1122 G HN 0.601 nan 8.290 nan 0.000 0.519 1123 D N -1.160 119.249 120.400 0.016 0.000 2.382 1123 D HA 0.272 4.992 4.640 0.133 0.000 0.245 1123 D C -0.199 176.191 176.300 0.149 0.000 1.120 1123 D CA -0.286 53.675 54.000 -0.065 0.000 0.890 1123 D CB 0.286 41.069 40.800 -0.029 0.000 1.201 1123 D HN -0.074 nan 8.370 nan 0.000 0.433 1124 F N 1.492 121.448 119.950 0.009 0.000 2.443 1124 F HA 0.354 4.960 4.527 0.132 0.000 0.353 1124 F C 1.806 177.612 175.800 0.011 0.000 1.101 1124 F CA -0.803 57.183 58.000 -0.023 0.000 1.226 1124 F CB 0.259 39.215 39.000 -0.075 0.000 1.140 1124 F HN 0.546 nan 8.300 nan 0.000 0.557 1125 G N 3.828 112.737 108.800 0.182 0.000 2.350 1125 G HA2 -0.261 3.779 3.960 0.133 0.000 0.298 1125 G HA3 -0.261 3.779 3.960 0.133 0.000 0.298 1125 G C 0.591 175.544 174.900 0.088 0.000 1.037 1125 G CA 0.214 45.370 45.100 0.093 0.000 1.074 1125 G HN 0.519 nan 8.290 nan 0.000 0.511 1126 M N -0.329 119.337 119.600 0.111 0.000 2.331 1126 M HA 0.097 4.657 4.480 0.133 0.000 0.266 1126 M C 2.107 178.451 176.300 0.072 0.000 1.055 1126 M CA 1.530 56.888 55.300 0.097 0.000 1.048 1126 M CB 0.151 32.825 32.600 0.124 0.000 1.460 1126 M HN 0.566 nan 8.290 nan 0.000 0.519 1127 T N -3.531 111.088 114.554 0.108 0.000 3.054 1127 T HA 0.254 4.684 4.350 0.133 0.000 0.255 1127 T C 1.534 176.318 174.700 0.140 0.000 1.035 1127 T CA -0.247 61.960 62.100 0.178 0.000 0.941 1127 T CB 0.134 69.233 68.868 0.385 0.000 1.026 1127 T HN 0.206 nan 8.240 nan 0.000 0.533 1128 R N 1.272 121.700 120.500 -0.120 0.000 2.159 1128 R HA -0.010 4.410 4.340 0.133 0.000 0.237 1128 R C 2.275 178.492 176.300 -0.138 0.000 1.131 1128 R CA 1.859 57.707 56.100 -0.419 0.000 0.982 1128 R CB -0.448 29.467 30.300 -0.642 0.000 0.868 1128 R HN 0.737 nan 8.270 nan 0.000 0.453 1129 D N -0.300 120.043 120.400 -0.094 0.000 2.379 1129 D HA 0.104 4.824 4.640 0.133 0.000 0.208 1129 D C 1.571 177.824 176.300 -0.079 0.000 1.065 1129 D CA 0.015 53.972 54.000 -0.071 0.000 0.848 1129 D CB 0.225 40.968 40.800 -0.095 0.000 0.949 1129 D HN -0.051 nan 8.370 nan 0.000 0.509 1130 I N -0.564 119.938 120.570 -0.113 0.000 2.494 1130 I HA 0.081 4.331 4.170 0.133 0.000 0.250 1130 I C 0.404 176.248 176.117 -0.455 0.000 1.112 1130 I CA 0.777 61.885 61.300 -0.320 0.000 1.438 1130 I CB -0.894 36.847 38.000 -0.432 0.000 1.111 1130 I HN 0.259 nan 8.210 nan 0.000 0.431 1131 Y N 1.362 121.732 120.300 0.116 0.000 2.602 1131 Y HA 0.312 4.933 4.550 0.119 0.000 0.373 1131 Y C 1.507 177.540 175.900 0.221 0.000 0.960 1131 Y CA -0.723 57.463 58.100 0.144 0.000 1.281 1131 Y CB -0.397 38.136 38.460 0.122 0.000 1.308 1131 Y HN 0.139 nan 8.280 nan 0.000 0.595 1132 E N -0.066 120.283 120.200 0.250 0.000 2.136 1132 E HA -0.271 4.159 4.350 0.133 0.000 0.202 1132 E C 1.986 178.761 176.600 0.292 0.000 1.019 1132 E CA 2.235 58.783 56.400 0.246 0.000 0.819 1132 E CB -0.022 29.758 29.700 0.133 0.000 0.739 1132 E HN 0.609 nan 8.360 nan 0.000 0.458 1133 T N -1.087 113.610 114.554 0.239 0.000 3.113 1133 T HA -0.087 4.343 4.350 0.133 0.000 0.263 1133 T C 0.976 175.802 174.700 0.210 0.000 1.143 1133 T CA 0.998 63.219 62.100 0.203 0.000 1.090 1133 T CB -0.018 68.947 68.868 0.162 0.000 0.922 1133 T HN -0.073 nan 8.240 nan 0.000 0.521 1134 D N 0.072 120.592 120.400 0.200 0.000 2.340 1134 D HA 0.177 4.897 4.640 0.133 0.000 0.220 1134 D C -0.569 175.582 176.300 -0.249 0.000 1.039 1134 D CA 0.370 54.381 54.000 0.019 0.000 0.866 1134 D CB 0.010 40.648 40.800 -0.270 0.000 0.913 1134 D HN 0.554 nan 8.370 nan 0.000 0.523 1135 Y N -0.754 119.670 120.300 0.205 0.000 2.485 1135 Y HA 0.398 4.998 4.550 0.083 0.000 0.345 1135 Y C -0.751 175.307 175.900 0.263 0.000 0.998 1135 Y CA -1.377 56.846 58.100 0.205 0.000 1.059 1135 Y CB 1.451 39.989 38.460 0.131 0.000 1.234 1135 Y HN -0.232 nan 8.280 nan 0.000 0.461 1136 Y N 2.831 123.275 120.300 0.242 0.000 2.338 1136 Y HA 0.438 5.042 4.550 0.090 0.000 0.333 1136 Y C 0.630 176.610 175.900 0.135 0.000 0.968 1136 Y CA -2.173 56.020 58.100 0.155 0.000 1.123 1136 Y CB 1.266 39.794 38.460 0.114 0.000 1.165 1136 Y HN 0.720 nan 8.280 nan 0.000 0.452 1137 R N 4.303 124.793 120.500 -0.017 0.000 2.055 1137 R HA 0.153 4.573 4.340 0.133 0.000 0.226 1137 R C 0.679 176.703 176.300 -0.460 0.000 1.135 1137 R CA 1.880 57.881 56.100 -0.164 0.000 0.959 1137 R CB -0.705 29.575 30.300 -0.033 0.000 0.854 1137 R HN 0.599 nan 8.270 nan 0.000 0.431 1143 L N 1.545 122.778 121.223 0.016 0.000 2.325 1143 L HA 0.599 5.019 4.340 0.133 0.000 0.284 1143 L C -0.244 176.735 176.870 0.181 0.000 1.089 1143 L CA -0.087 54.799 54.840 0.078 0.000 0.836 1143 L CB 0.190 42.251 42.059 0.004 0.000 1.184 1143 L HN 0.342 nan 8.230 nan 0.000 0.444 1144 L N 6.668 128.035 121.223 0.240 0.000 2.329 1144 L HA 0.540 4.960 4.340 0.133 0.000 0.279 1144 L C -2.024 175.061 176.870 0.359 0.000 1.014 1144 L CA -1.655 53.360 54.840 0.292 0.000 0.814 1144 L CB 1.454 43.650 42.059 0.229 0.000 1.257 1144 L HN 0.418 nan 8.230 nan 0.000 0.424 1145 P HA 0.045 nan 4.420 nan 0.000 0.219 1145 P C 1.074 178.575 177.300 0.334 0.000 1.832 1145 P CA -0.344 62.841 63.100 0.143 0.000 1.014 1145 P CB 0.475 32.169 31.700 -0.010 0.000 1.939 1146 V N 1.407 121.494 119.914 0.289 0.000 2.380 1146 V HA -0.287 3.913 4.120 0.133 0.000 0.251 1146 V C 2.028 178.198 176.094 0.126 0.000 1.063 1146 V CA 1.484 63.905 62.300 0.203 0.000 1.055 1146 V CB -1.477 30.458 31.823 0.187 0.000 0.657 1146 V HN 0.180 nan 8.190 nan 0.000 0.455 1147 R N -1.267 119.332 120.500 0.166 0.000 2.280 1147 R HA 0.035 4.455 4.340 0.133 0.000 0.207 1147 R C 1.828 178.010 176.300 -0.197 0.000 1.043 1147 R CA 1.434 57.492 56.100 -0.070 0.000 1.006 1147 R CB -0.178 29.971 30.300 -0.252 0.000 0.885 1147 R HN 0.655 nan 8.270 nan 0.000 0.467 1148 W N -0.374 121.029 121.300 0.171 0.000 3.103 1148 W HA 0.286 5.018 4.660 0.120 0.000 0.325 1148 W C 0.075 176.784 176.519 0.315 0.000 1.170 1148 W CA -0.452 57.050 57.345 0.263 0.000 1.712 1148 W CB 0.297 29.871 29.460 0.190 0.000 1.068 1148 W HN 0.001 nan 8.180 nan 0.000 0.592 1149 M N 1.193 120.963 119.600 0.285 0.000 2.249 1149 M HA 0.082 4.642 4.480 0.133 0.000 0.351 1149 M C 1.123 177.111 176.300 -0.521 0.000 1.180 1149 M CA 0.154 55.476 55.300 0.037 0.000 1.127 1149 M CB 1.293 33.917 32.600 0.040 0.000 1.546 1149 M HN -0.257 nan 8.290 nan 0.000 0.461 1150 S N 2.443 117.686 115.700 -0.762 0.000 2.584 1150 S HA 0.206 4.756 4.470 0.133 0.000 0.270 1150 S C -2.108 171.879 174.600 -1.022 0.000 1.346 1150 S CA -1.098 56.270 58.200 -1.386 0.000 1.018 1150 S CB 0.281 63.087 63.200 -0.656 0.000 0.899 1150 S HN 0.466 nan 8.310 nan 0.000 0.542 1151 P HA -0.176 nan 4.420 nan 0.000 0.216 1151 P C 1.662 178.649 177.300 -0.521 0.000 1.150 1151 P CA 1.428 64.084 63.100 -0.739 0.000 0.837 1151 P CB -0.088 31.020 31.700 -0.986 0.000 0.786 1152 E N -0.329 119.562 120.200 -0.515 0.000 2.150 1152 E HA -0.101 4.329 4.350 0.133 0.000 0.193 1152 E C 1.613 178.003 176.600 -0.350 0.000 0.985 1152 E CA 1.404 57.599 56.400 -0.342 0.000 0.814 1152 E CB -1.154 28.391 29.700 -0.259 0.000 0.752 1152 E HN 0.151 nan 8.360 nan 0.000 0.466 1153 S N 1.033 116.450 115.700 -0.470 0.000 2.387 1153 S HA 0.056 4.606 4.470 0.133 0.000 0.226 1153 S C 2.120 176.480 174.600 -0.399 0.000 1.026 1153 S CA 0.701 58.521 58.200 -0.634 0.000 0.972 1153 S CB -0.172 62.467 63.200 -0.936 0.000 0.814 1153 S HN 0.200 nan 8.310 nan 0.000 0.477 1154 L N 0.917 121.959 121.223 -0.302 0.000 2.109 1154 L HA -0.000 4.420 4.340 0.133 0.000 0.207 1154 L C 2.507 179.296 176.870 -0.134 0.000 1.086 1154 L CA 1.101 55.836 54.840 -0.175 0.000 0.760 1154 L CB -0.277 41.673 42.059 -0.181 0.000 0.910 1154 L HN 0.196 nan 8.230 nan 0.000 0.437 1155 K N -0.248 120.057 120.400 -0.159 0.000 2.021 1155 K HA -0.093 4.307 4.320 0.133 0.000 0.205 1155 K C 1.085 177.632 176.600 -0.089 0.000 1.047 1155 K CA 1.359 57.583 56.287 -0.105 0.000 0.943 1155 K CB 0.256 32.695 32.500 -0.102 0.000 0.725 1155 K HN 0.265 nan 8.250 nan 0.000 0.439 1156 D N -1.616 118.712 120.400 -0.119 0.000 2.407 1156 D HA 0.093 4.813 4.640 0.133 0.000 0.208 1156 D C 0.798 177.047 176.300 -0.086 0.000 1.083 1156 D CA 0.689 54.635 54.000 -0.090 0.000 0.844 1156 D CB 1.081 41.828 40.800 -0.087 0.000 0.967 1156 D HN 0.433 nan 8.370 nan 0.000 0.506 1157 G N 1.669 110.390 108.800 -0.132 0.000 2.168 1157 G HA2 -0.270 3.770 3.960 0.133 0.000 0.257 1157 G HA3 -0.270 3.770 3.960 0.133 0.000 0.257 1157 G C 0.264 175.117 174.900 -0.079 0.000 0.997 1157 G CA 0.526 45.584 45.100 -0.070 0.000 0.708 1157 G HN 0.384 nan 8.290 nan 0.000 0.520 1158 V N 0.182 119.958 119.914 -0.231 0.000 2.481 1158 V HA 0.817 5.017 4.120 0.133 0.000 0.286 1158 V C -0.426 175.439 176.094 -0.381 0.000 1.042 1158 V CA -0.865 61.350 62.300 -0.141 0.000 0.928 1158 V CB 0.956 32.741 31.823 -0.065 0.000 0.986 1158 V HN 0.239 nan 8.190 nan 0.000 0.462 1159 F N 4.190 124.146 119.950 0.010 0.000 2.529 1159 F HA 0.740 5.344 4.527 0.130 0.000 0.320 1159 F C 0.461 176.267 175.800 0.009 0.000 1.118 1159 F CA -0.376 57.639 58.000 0.025 0.000 0.915 1159 F CB 2.334 41.359 39.000 0.040 0.000 1.161 1159 F HN 0.635 nan 8.300 nan 0.000 0.445 1160 T N -2.702 111.936 114.554 0.140 0.000 2.804 1160 T HA 0.232 4.662 4.350 0.133 0.000 0.290 1160 T C 0.708 175.392 174.700 -0.026 0.000 1.099 1160 T CA -0.358 61.735 62.100 -0.012 0.000 1.011 1160 T CB 1.427 70.207 68.868 -0.145 0.000 1.291 1160 T HN 0.462 nan 8.240 nan 0.000 0.523 1161 T N -0.578 113.858 114.554 -0.198 0.000 2.803 1161 T HA -0.121 4.309 4.350 0.133 0.000 0.269 1161 T C 1.270 175.938 174.700 -0.054 0.000 1.052 1161 T CA 1.887 63.941 62.100 -0.076 0.000 1.136 1161 T CB -0.871 67.929 68.868 -0.114 0.000 0.864 1161 T HN 0.611 nan 8.240 nan 0.000 0.467 1162 Y N 1.526 121.875 120.300 0.081 0.000 2.352 1162 Y HA 0.027 4.657 4.550 0.133 0.000 0.292 1162 Y C 2.933 178.908 175.900 0.124 0.000 1.136 1162 Y CA 0.788 58.915 58.100 0.045 0.000 1.227 1162 Y CB -0.979 37.498 38.460 0.029 0.000 0.991 1162 Y HN 0.326 nan 8.280 nan 0.000 0.545 1163 S N -0.875 114.977 115.700 0.254 0.000 2.425 1163 S HA -0.110 4.440 4.470 0.133 0.000 0.225 1163 S C 1.430 176.263 174.600 0.389 0.000 1.024 1163 S CA 0.923 59.283 58.200 0.267 0.000 0.951 1163 S CB -0.297 62.978 63.200 0.125 0.000 0.796 1163 S HN 0.268 nan 8.310 nan 0.000 0.498 1164 D N 1.877 122.500 120.400 0.372 0.000 2.144 1164 D HA -0.021 4.699 4.640 0.133 0.000 0.199 1164 D C 2.059 178.684 176.300 0.542 0.000 0.984 1164 D CA 0.828 55.114 54.000 0.475 0.000 0.834 1164 D CB -0.483 40.628 40.800 0.520 0.000 0.955 1164 D HN 0.298 nan 8.370 nan 0.000 0.465 1165 V N 0.874 120.932 119.914 0.240 0.000 2.343 1165 V HA -0.206 3.994 4.120 0.133 0.000 0.247 1165 V C 2.175 178.455 176.094 0.310 0.000 1.051 1165 V CA 1.320 63.613 62.300 -0.011 0.000 1.036 1165 V CB -0.484 31.158 31.823 -0.302 0.000 0.654 1165 V HN 0.406 nan 8.190 nan 0.000 0.451 1166 W N 1.162 122.606 121.300 0.240 0.000 2.333 1166 W HA -0.231 4.507 4.660 0.130 0.000 0.316 1166 W C 2.513 179.305 176.519 0.455 0.000 1.215 1166 W CA 2.270 59.825 57.345 0.349 0.000 1.278 1166 W CB -0.616 28.996 29.460 0.253 0.000 1.154 1166 W HN 0.327 nan 8.180 nan 0.000 0.486 1167 S N 0.680 116.818 115.700 0.729 0.000 2.382 1167 S HA -0.233 4.317 4.470 0.133 0.000 0.228 1167 S C 1.544 176.475 174.600 0.552 0.000 1.027 1167 S CA 1.578 60.179 58.200 0.669 0.000 0.991 1167 S CB -1.039 62.526 63.200 0.608 0.000 0.823 1167 S HN 0.356 nan 8.310 nan 0.000 0.469 1168 F N 2.609 122.785 119.950 0.376 0.000 2.126 1168 F HA -0.059 4.548 4.527 0.133 0.000 0.299 1168 F C 2.237 178.146 175.800 0.182 0.000 1.096 1168 F CA 1.335 59.518 58.000 0.304 0.000 1.255 1168 F CB -0.887 38.365 39.000 0.422 0.000 0.997 1168 F HN 0.218 nan 8.300 nan 0.000 0.479 1169 G N -0.036 108.827 108.800 0.106 0.000 2.418 1169 G HA2 -0.212 3.828 3.960 0.133 0.000 0.217 1169 G HA3 -0.212 3.828 3.960 0.133 0.000 0.217 1169 G C 1.699 176.667 174.900 0.114 0.000 1.158 1169 G CA 1.196 46.142 45.100 -0.255 0.000 0.771 1169 G HN 0.347 nan 8.290 nan 0.000 0.545 1170 V N 0.702 120.870 119.914 0.422 0.000 2.343 1170 V HA -0.184 4.016 4.120 0.133 0.000 0.247 1170 V C 3.022 179.310 176.094 0.324 0.000 1.051 1170 V CA 1.504 64.007 62.300 0.338 0.000 1.036 1170 V CB -0.563 31.296 31.823 0.061 0.000 0.654 1170 V HN 0.250 nan 8.190 nan 0.000 0.451 1171 V N 0.043 120.111 119.914 0.257 0.000 2.332 1171 V HA -0.272 3.928 4.120 0.133 0.000 0.248 1171 V C 2.342 178.452 176.094 0.026 0.000 1.055 1171 V CA 2.062 64.463 62.300 0.167 0.000 1.038 1171 V CB -0.638 31.226 31.823 0.068 0.000 0.651 1171 V HN 0.454 nan 8.190 nan 0.000 0.450 1172 L N -1.571 119.558 121.223 -0.157 0.000 2.042 1172 L HA -0.227 4.193 4.340 0.133 0.000 0.210 1172 L C 2.346 179.240 176.870 0.039 0.000 1.076 1172 L CA 2.274 57.021 54.840 -0.154 0.000 0.749 1172 L CB -0.648 41.240 42.059 -0.286 0.000 0.893 1172 L HN 0.504 nan 8.230 nan 0.000 0.432 1173 W N 1.468 122.765 121.300 -0.006 0.000 2.363 1173 W HA -0.190 4.548 4.660 0.131 0.000 0.296 1173 W C 2.431 178.967 176.519 0.028 0.000 1.212 1173 W CA 1.643 59.032 57.345 0.074 0.000 1.260 1173 W CB 0.038 29.617 29.460 0.198 0.000 1.131 1173 W HN 0.100 nan 8.180 nan 0.000 0.530 1174 E N 0.087 120.482 120.200 0.326 0.000 2.077 1174 E HA -0.254 4.176 4.350 0.133 0.000 0.193 1174 E C 2.095 178.696 176.600 0.001 0.000 0.989 1174 E CA 1.853 58.365 56.400 0.186 0.000 0.800 1174 E CB -0.489 29.392 29.700 0.300 0.000 0.746 1174 E HN 0.371 nan 8.360 nan 0.000 0.452 1175 I N 1.092 121.667 120.570 0.008 0.000 2.179 1175 I HA -0.270 3.980 4.170 0.133 0.000 0.242 1175 I C 2.500 178.562 176.117 -0.093 0.000 1.088 1175 I CA 1.094 62.381 61.300 -0.021 0.000 1.357 1175 I CB -0.283 37.709 38.000 -0.014 0.000 1.051 1175 I HN 0.073 nan 8.210 nan 0.000 0.409 1176 A N 0.227 122.957 122.820 -0.149 0.000 2.067 1176 A HA -0.149 4.251 4.320 0.133 0.000 0.219 1176 A C 2.171 179.565 177.584 -0.317 0.000 1.158 1176 A CA 1.971 53.884 52.037 -0.207 0.000 0.661 1176 A CB -0.840 18.043 19.000 -0.195 0.000 0.801 1176 A HN 0.543 nan 8.150 nan 0.000 0.452 1177 T N -3.751 110.538 114.554 -0.441 0.000 3.054 1177 T HA 0.441 4.871 4.350 0.133 0.000 0.255 1177 T C 0.475 175.013 174.700 -0.270 0.000 1.035 1177 T CA 0.200 62.011 62.100 -0.482 0.000 0.941 1177 T CB -0.445 67.881 68.868 -0.904 0.000 1.026 1177 T HN 0.588 nan 8.240 nan 0.000 0.533 1178 L N 0.503 121.618 121.223 -0.179 0.000 3.548 1178 L HA -0.207 4.213 4.340 0.133 0.000 0.443 1178 L C 0.828 177.661 176.870 -0.062 0.000 1.286 1178 L CA 0.025 54.802 54.840 -0.105 0.000 0.863 1178 L CB -2.503 39.492 42.059 -0.106 0.000 1.734 1178 L HN 0.728 nan 8.230 nan 0.000 0.873 1179 A N -0.693 122.109 122.820 -0.030 0.000 2.667 1179 A HA -0.206 4.194 4.320 0.133 0.000 0.298 1179 A C 0.757 178.388 177.584 0.079 0.000 1.483 1179 A CA 1.671 53.745 52.037 0.062 0.000 0.738 1179 A CB -1.150 17.890 19.000 0.066 0.000 1.067 1179 A HN 0.690 nan 8.150 nan 0.000 0.451 1180 E N 0.130 120.347 120.200 0.029 0.000 2.392 1180 E HA 0.240 4.670 4.350 0.133 0.000 0.256 1180 E C 0.353 177.128 176.600 0.290 0.000 1.145 1180 E CA -0.568 55.889 56.400 0.096 0.000 0.929 1180 E CB 0.274 29.971 29.700 -0.006 0.000 0.998 1180 E HN 0.519 nan 8.360 nan 0.000 0.442 1181 Q N 2.023 121.962 119.800 0.232 0.000 2.286 1181 Q HA 0.166 4.586 4.340 0.133 0.000 0.267 1181 Q C -2.242 173.815 176.000 0.095 0.000 1.028 1181 Q CA -1.774 54.141 55.803 0.186 0.000 0.901 1181 Q CB 0.335 29.150 28.738 0.129 0.000 1.183 1181 Q HN 0.204 nan 8.270 nan 0.000 0.392 1182 P HA -0.037 nan 4.420 nan 0.000 0.268 1182 P C -0.950 176.090 177.300 -0.433 0.000 1.204 1182 P CA 0.081 62.676 63.100 -0.842 0.000 0.768 1182 P CB 0.160 31.185 31.700 -1.124 0.000 0.842 1183 Y N -0.954 119.068 120.300 -0.463 0.000 3.689 1183 Y HA -0.254 4.373 4.550 0.129 0.000 0.221 1183 Y C 0.774 176.548 175.900 -0.211 0.000 1.247 1183 Y CA 0.148 58.050 58.100 -0.329 0.000 1.671 1183 Y CB -2.813 35.452 38.460 -0.326 0.000 1.521 1183 Y HN 0.443 nan 8.280 nan 0.000 0.632 1184 Q N 0.602 120.379 119.800 -0.039 0.000 2.304 1184 Q HA 0.272 4.692 4.340 0.133 0.000 0.301 1184 Q C 1.426 177.407 176.000 -0.031 0.000 1.063 1184 Q CA 1.615 57.416 55.803 -0.003 0.000 0.947 1184 Q CB 0.427 29.189 28.738 0.040 0.000 1.201 1184 Q HN 0.745 nan 8.270 nan 0.000 0.389 1185 G N 2.450 111.230 108.800 -0.033 0.000 2.234 1185 G HA2 -0.232 3.808 3.960 0.133 0.000 0.235 1185 G HA3 -0.232 3.808 3.960 0.133 0.000 0.235 1185 G C -0.143 174.712 174.900 -0.075 0.000 0.997 1185 G CA -0.226 44.844 45.100 -0.050 0.000 0.623 1185 G HN 0.495 nan 8.290 nan 0.000 0.514 1186 L N 2.232 123.402 121.223 -0.088 0.000 2.309 1186 L HA 0.613 5.033 4.340 0.133 0.000 0.282 1186 L C 1.270 178.080 176.870 -0.101 0.000 1.036 1186 L CA -0.278 54.492 54.840 -0.116 0.000 0.806 1186 L CB 1.754 43.709 42.059 -0.172 0.000 1.220 1186 L HN 0.421 nan 8.230 nan 0.000 0.429 1187 S N 1.350 116.985 115.700 -0.109 0.000 2.624 1187 S HA 0.145 4.695 4.470 0.133 0.000 0.263 1187 S C 0.926 175.407 174.600 -0.198 0.000 1.287 1187 S CA -0.670 57.452 58.200 -0.131 0.000 0.990 1187 S CB 0.877 64.008 63.200 -0.114 0.000 0.950 1187 S HN 0.603 nan 8.310 nan 0.000 0.561 1188 N N 1.356 119.865 118.700 -0.318 0.000 2.061 1188 N HA -0.136 4.684 4.740 0.133 0.000 0.193 1188 N C 1.572 176.836 175.510 -0.411 0.000 1.030 1188 N CA 1.508 54.243 53.050 -0.525 0.000 0.856 1188 N CB -0.621 37.157 38.487 -1.182 0.000 1.023 1188 N HN 0.656 nan 8.380 nan 0.000 0.424 1189 E N 1.273 121.291 120.200 -0.304 0.000 2.077 1189 E HA -0.122 4.308 4.350 0.133 0.000 0.193 1189 E C 1.960 178.525 176.600 -0.060 0.000 0.989 1189 E CA 0.781 57.139 56.400 -0.071 0.000 0.800 1189 E CB -0.184 29.517 29.700 0.002 0.000 0.746 1189 E HN 0.512 nan 8.360 nan 0.000 0.452 1190 Q N -0.011 119.736 119.800 -0.089 0.000 2.124 1190 Q HA -0.106 4.314 4.340 0.133 0.000 0.202 1190 Q C 2.319 178.269 176.000 -0.084 0.000 0.977 1190 Q CA 1.218 56.979 55.803 -0.070 0.000 0.850 1190 Q CB 0.007 28.691 28.738 -0.091 0.000 0.901 1190 Q HN 0.101 nan 8.270 nan 0.000 0.429 1191 V N 0.701 120.517 119.914 -0.163 0.000 2.261 1191 V HA -0.279 3.921 4.120 0.133 0.000 0.246 1191 V C 2.129 178.107 176.094 -0.194 0.000 1.047 1191 V CA 1.468 63.606 62.300 -0.271 0.000 1.015 1191 V CB -0.502 31.106 31.823 -0.359 0.000 0.642 1191 V HN 0.274 nan 8.190 nan 0.000 0.446 1192 L N -0.231 120.925 121.223 -0.112 0.000 1.990 1192 L HA -0.194 4.226 4.340 0.133 0.000 0.213 1192 L C 2.672 179.510 176.870 -0.053 0.000 1.072 1192 L CA 2.000 56.802 54.840 -0.063 0.000 0.755 1192 L CB -0.901 41.169 42.059 0.018 0.000 0.889 1192 L HN 0.245 nan 8.230 nan 0.000 0.432 1193 R N -1.545 118.946 120.500 -0.016 0.000 2.062 1193 R HA -0.163 4.257 4.340 0.133 0.000 0.231 1193 R C 2.313 178.629 176.300 0.027 0.000 1.136 1193 R CA 1.632 57.737 56.100 0.008 0.000 0.948 1193 R CB -1.127 29.188 30.300 0.025 0.000 0.845 1193 R HN 0.301 nan 8.270 nan 0.000 0.430 1194 F N 1.657 121.539 119.950 -0.113 0.000 2.095 1194 F HA -0.209 4.398 4.527 0.133 0.000 0.298 1194 F C 2.226 177.973 175.800 -0.089 0.000 1.104 1194 F CA 1.314 59.255 58.000 -0.100 0.000 1.232 1194 F CB -0.304 38.620 39.000 -0.127 0.000 0.987 1194 F HN -0.285 nan 8.300 nan 0.000 0.475 1195 V N 0.690 120.506 119.914 -0.163 0.000 2.307 1195 V HA -0.332 3.868 4.120 0.133 0.000 0.245 1195 V C 2.466 178.486 176.094 -0.124 0.000 1.045 1195 V CA 2.184 64.354 62.300 -0.215 0.000 1.024 1195 V CB -0.621 31.049 31.823 -0.254 0.000 0.651 1195 V HN 0.380 nan 8.190 nan 0.000 0.449 1196 M N 0.292 119.836 119.600 -0.095 0.000 2.279 1196 M HA -0.188 4.372 4.480 0.133 0.000 0.264 1196 M C 2.055 178.409 176.300 0.089 0.000 1.062 1196 M CA 1.836 57.137 55.300 0.002 0.000 1.099 1196 M CB -0.422 32.158 32.600 -0.033 0.000 1.394 1196 M HN 0.607 nan 8.290 nan 0.000 0.426 1197 E N -0.120 120.063 120.200 -0.028 0.000 2.489 1197 E HA 0.116 4.546 4.350 0.133 0.000 0.193 1197 E C 1.009 177.514 176.600 -0.159 0.000 1.057 1197 E CA 0.613 56.957 56.400 -0.094 0.000 0.866 1197 E CB 0.076 29.724 29.700 -0.087 0.000 0.916 1197 E HN 0.499 nan 8.360 nan 0.000 0.500 1198 G N 0.433 109.194 108.800 -0.065 0.000 2.131 1198 G HA2 -0.227 3.813 3.960 0.133 0.000 0.223 1198 G HA3 -0.227 3.813 3.960 0.133 0.000 0.223 1198 G C 0.419 175.212 174.900 -0.178 0.000 0.990 1198 G CA -0.253 44.820 45.100 -0.045 0.000 0.671 1198 G HN 0.609 nan 8.290 nan 0.000 0.521 1199 G N -0.536 107.948 108.800 -0.527 0.000 2.467 1199 G HA2 0.634 4.674 3.960 0.133 0.000 0.257 1199 G HA3 0.634 4.674 3.960 0.133 0.000 0.257 1199 G C -0.029 174.536 174.900 -0.559 0.000 1.227 1199 G CA -0.226 44.183 45.100 -1.151 0.000 0.835 1199 G HN 0.737 nan 8.290 nan 0.000 0.556 1200 L N 0.395 121.520 121.223 -0.162 0.000 2.350 1200 L HA 0.444 4.864 4.340 0.133 0.000 0.260 1200 L C -0.026 176.921 176.870 0.129 0.000 1.015 1200 L CA -1.030 53.827 54.840 0.028 0.000 0.821 1200 L CB 2.086 44.192 42.059 0.078 0.000 1.370 1200 L HN 0.311 nan 8.230 nan 0.000 0.416 1201 L N 1.076 122.092 121.223 -0.345 0.000 2.461 1201 L HA 0.116 4.536 4.340 0.133 0.000 0.272 1201 L C -0.152 176.780 176.870 0.103 0.000 1.197 1201 L CA -0.184 54.373 54.840 -0.472 0.000 0.836 1201 L CB 0.184 41.487 42.059 -1.260 0.000 1.105 1201 L HN 0.474 nan 8.230 nan 0.000 0.477 1202 D N 1.832 122.322 120.400 0.150 0.000 2.362 1202 D HA 0.048 4.768 4.640 0.133 0.000 0.242 1202 D C 0.078 176.498 176.300 0.200 0.000 1.132 1202 D CA -0.205 53.902 54.000 0.178 0.000 0.907 1202 D CB 0.775 41.636 40.800 0.102 0.000 1.195 1202 D HN 0.285 nan 8.370 nan 0.000 0.429 1203 K N 2.088 122.280 120.400 -0.348 0.000 2.412 1203 K HA 0.137 4.537 4.320 0.133 0.000 0.284 1203 K C -2.319 174.141 176.600 -0.232 0.000 1.046 1203 K CA -1.106 54.736 56.287 -0.742 0.000 0.999 1203 K CB 0.263 32.008 32.500 -1.259 0.000 0.941 1203 K HN 0.070 nan 8.250 nan 0.000 0.474 1204 P HA -0.020 nan 4.420 nan 0.000 0.267 1204 P C -1.063 176.132 177.300 -0.175 0.000 1.200 1204 P CA -0.134 62.845 63.100 -0.203 0.000 0.772 1204 P CB 0.428 31.903 31.700 -0.376 0.000 0.855 1205 D N 2.185 122.497 120.400 -0.147 0.000 2.525 1205 D HA -0.067 4.653 4.640 0.133 0.000 0.235 1205 D C 0.777 177.006 176.300 -0.118 0.000 1.137 1205 D CA 0.810 54.740 54.000 -0.118 0.000 0.868 1205 D CB -0.400 40.341 40.800 -0.098 0.000 1.180 1205 D HN 0.434 nan 8.370 nan 0.000 0.465 1206 N N -1.073 117.568 118.700 -0.098 0.000 2.863 1206 N HA -0.233 4.587 4.740 0.133 0.000 0.245 1206 N C -0.006 175.453 175.510 -0.084 0.000 1.001 1206 N CA 0.597 53.597 53.050 -0.083 0.000 0.901 1206 N CB -1.458 36.982 38.487 -0.078 0.000 1.124 1206 N HN 0.477 nan 8.380 nan 0.000 0.582 1207 C N 2.039 121.280 119.300 -0.099 0.000 2.627 1207 C HA 0.280 4.820 4.460 0.133 0.000 0.404 1207 C C -1.795 173.171 174.990 -0.039 0.000 1.340 1207 C CA -1.732 57.241 59.018 -0.074 0.000 1.758 1207 C CB -0.391 27.306 27.740 -0.071 0.000 2.501 1207 C HN 0.179 nan 8.230 nan 0.000 0.588 1208 P HA 0.082 nan 4.420 nan 0.000 0.262 1208 P C 0.323 177.640 177.300 0.027 0.000 1.182 1208 P CA 0.498 63.593 63.100 -0.009 0.000 0.761 1208 P CB 0.528 32.219 31.700 -0.014 0.000 0.795 1209 D N 2.189 122.609 120.400 0.034 0.000 2.190 1209 D HA -0.189 4.531 4.640 0.133 0.000 0.200 1209 D C 1.669 178.018 176.300 0.081 0.000 0.992 1209 D CA 1.140 55.189 54.000 0.081 0.000 0.854 1209 D CB -0.425 40.409 40.800 0.057 0.000 0.936 1209 D HN 0.360 nan 8.370 nan 0.000 0.462 1210 M N 0.122 119.742 119.600 0.033 0.000 2.080 1210 M HA -0.173 4.387 4.480 0.133 0.000 0.260 1210 M C 1.930 178.228 176.300 -0.003 0.000 1.068 1210 M CA 1.302 56.607 55.300 0.007 0.000 1.109 1210 M CB -0.423 32.174 32.600 -0.005 0.000 1.342 1210 M HN 0.124 nan 8.290 nan 0.000 0.405 1211 L N 0.184 121.413 121.223 0.010 0.000 2.072 1211 L HA -0.130 4.290 4.340 0.133 0.000 0.205 1211 L C 2.236 179.102 176.870 -0.007 0.000 1.079 1211 L CA 1.611 56.445 54.840 -0.010 0.000 0.752 1211 L CB -1.080 40.974 42.059 -0.008 0.000 0.906 1211 L HN 0.331 nan 8.230 nan 0.000 0.436 1212 F N 0.553 120.451 119.950 -0.086 0.000 2.171 1212 F HA -0.200 4.406 4.527 0.132 0.000 0.300 1212 F C 2.515 178.236 175.800 -0.133 0.000 1.090 1212 F CA 1.884 59.832 58.000 -0.088 0.000 1.293 1212 F CB -0.275 38.714 39.000 -0.018 0.000 1.013 1212 F HN 0.332 nan 8.300 nan 0.000 0.486 1213 E N 0.043 120.172 120.200 -0.119 0.000 2.085 1213 E HA -0.272 4.158 4.350 0.133 0.000 0.194 1213 E C 2.224 178.654 176.600 -0.284 0.000 0.994 1213 E CA 1.500 57.785 56.400 -0.192 0.000 0.801 1213 E CB -0.407 29.255 29.700 -0.065 0.000 0.743 1213 E HN 0.429 nan 8.360 nan 0.000 0.453 1214 L N 0.677 121.758 121.223 -0.237 0.000 2.046 1214 L HA -0.148 4.272 4.340 0.133 0.000 0.208 1214 L C 2.317 178.928 176.870 -0.431 0.000 1.077 1214 L CA 1.756 56.457 54.840 -0.232 0.000 0.747 1214 L CB -0.441 41.551 42.059 -0.111 0.000 0.896 1214 L HN 0.246 nan 8.230 nan 0.000 0.432 1215 M N -1.035 118.170 119.600 -0.660 0.000 2.080 1215 M HA -0.247 4.314 4.480 0.133 0.000 0.260 1215 M C 2.437 177.792 176.300 -1.575 0.000 1.068 1215 M CA 1.840 56.361 55.300 -1.298 0.000 1.109 1215 M CB -0.403 31.364 32.600 -1.388 0.000 1.342 1215 M HN 0.202 nan 8.290 nan 0.000 0.405 1216 R N -0.080 119.774 120.500 -1.076 0.000 2.091 1216 R HA -0.129 4.291 4.340 0.133 0.000 0.238 1216 R C 2.124 178.190 176.300 -0.391 0.000 1.136 1216 R CA 1.625 57.345 56.100 -0.634 0.000 0.959 1216 R CB -0.372 29.619 30.300 -0.515 0.000 0.856 1216 R HN 0.450 nan 8.270 nan 0.000 0.437 1217 M N -0.424 118.963 119.600 -0.355 0.000 2.117 1217 M HA -0.201 4.359 4.480 0.133 0.000 0.262 1217 M C 2.492 178.667 176.300 -0.210 0.000 1.065 1217 M CA 1.346 56.518 55.300 -0.212 0.000 1.114 1217 M CB -0.372 32.128 32.600 -0.167 0.000 1.361 1217 M HN 0.234 nan 8.290 nan 0.000 0.408 1218 C N -0.714 118.374 119.300 -0.355 0.000 2.432 1218 C HA -0.128 4.412 4.460 0.133 0.000 0.280 1218 C C 1.698 176.557 174.990 -0.219 0.000 1.353 1218 C CA 0.230 59.069 59.018 -0.299 0.000 1.766 1218 C CB -1.054 26.444 27.740 -0.403 0.000 1.924 1218 C HN 0.662 nan 8.230 nan 0.000 0.509 1219 W N 0.644 121.699 121.300 -0.407 0.000 3.305 1219 W HA 0.291 5.033 4.660 0.136 0.000 0.392 1219 W C 0.532 177.002 176.519 -0.083 0.000 1.121 1219 W CA -0.622 56.331 57.345 -0.653 0.000 1.909 1219 W CB -1.203 27.709 29.460 -0.915 0.000 1.065 1219 W HN 0.368 nan 8.180 nan 0.000 0.714 1220 Q N 0.415 120.328 119.800 0.188 0.000 2.300 1220 Q HA -0.124 4.296 4.340 0.133 0.000 0.280 1220 Q C 1.046 177.245 176.000 0.332 0.000 1.033 1220 Q CA 0.283 56.210 55.803 0.207 0.000 0.903 1220 Q CB 0.703 29.502 28.738 0.101 0.000 1.195 1220 Q HN 0.333 nan 8.270 nan 0.000 0.386 1221 Y N 3.128 123.552 120.300 0.207 0.000 2.165 1221 Y HA -0.238 4.392 4.550 0.134 0.000 0.286 1221 Y C 0.978 176.931 175.900 0.088 0.000 1.155 1221 Y CA 1.525 59.723 58.100 0.164 0.000 1.164 1221 Y CB 0.320 38.824 38.460 0.073 0.000 0.978 1221 Y HN 0.572 nan 8.280 nan 0.000 0.513 1222 N N 1.269 120.084 118.700 0.192 0.000 2.430 1222 N HA 0.054 4.874 4.740 0.133 0.000 0.265 1222 N C -1.904 173.608 175.510 0.003 0.000 1.100 1222 N CA -2.146 50.948 53.050 0.073 0.000 0.961 1222 N CB 1.154 39.678 38.487 0.061 0.000 1.075 1222 N HN 0.056 nan 8.380 nan 0.000 0.478 1223 P HA -0.159 nan 4.420 nan 0.000 0.219 1223 P C 0.526 177.639 177.300 -0.312 0.000 1.146 1223 P CA 1.349 64.403 63.100 -0.075 0.000 0.808 1223 P CB 0.407 32.104 31.700 -0.005 0.000 0.779 1224 K N -0.930 119.273 120.400 -0.328 0.000 2.283 1224 K HA 0.022 4.422 4.320 0.133 0.000 0.202 1224 K C 1.885 178.352 176.600 -0.222 0.000 1.048 1224 K CA 0.932 56.990 56.287 -0.382 0.000 0.948 1224 K CB -0.247 32.111 32.500 -0.235 0.000 0.742 1224 K HN 0.188 nan 8.250 nan 0.000 0.458 1225 M N 0.612 120.138 119.600 -0.123 0.000 2.556 1225 M HA 0.040 4.600 4.480 0.133 0.000 0.245 1225 M C 0.435 176.705 176.300 -0.051 0.000 1.128 1225 M CA 0.526 55.789 55.300 -0.062 0.000 1.069 1225 M CB -0.256 32.335 32.600 -0.015 0.000 1.469 1225 M HN -0.032 nan 8.290 nan 0.000 0.494 1226 R N 1.671 122.137 120.500 -0.057 0.000 2.539 1226 R HA 0.231 4.651 4.340 0.133 0.000 0.275 1226 R C -2.066 174.201 176.300 -0.055 0.000 1.077 1226 R CA -1.328 54.753 56.100 -0.031 0.000 1.097 1226 R CB -0.097 30.222 30.300 0.032 0.000 1.018 1226 R HN 0.042 nan 8.270 nan 0.000 0.483 1227 P HA 0.006 nan 4.420 nan 0.000 0.274 1227 P C -0.576 176.660 177.300 -0.107 0.000 1.237 1227 P CA -0.363 62.691 63.100 -0.076 0.000 0.793 1227 P CB 0.957 32.605 31.700 -0.087 0.000 0.977 1228 S N 0.280 115.945 115.700 -0.058 0.000 2.645 1228 S HA 0.229 4.779 4.470 0.133 0.000 0.266 1228 S C 1.082 175.591 174.600 -0.153 0.000 1.258 1228 S CA -0.347 57.813 58.200 -0.067 0.000 0.990 1228 S CB -0.106 63.134 63.200 0.067 0.000 0.967 1228 S HN 0.224 nan 8.310 nan 0.000 0.556 1229 F N 0.241 120.195 119.950 0.008 0.000 2.171 1229 F HA 0.034 4.640 4.527 0.132 0.000 0.300 1229 F C 2.109 177.936 175.800 0.046 0.000 1.090 1229 F CA 0.966 58.928 58.000 -0.063 0.000 1.293 1229 F CB -0.785 38.180 39.000 -0.059 0.000 1.013 1229 F HN 0.442 nan 8.300 nan 0.000 0.486 1230 L N -0.338 121.068 121.223 0.305 0.000 2.017 1230 L HA -0.236 4.184 4.340 0.133 0.000 0.208 1230 L C 2.496 179.532 176.870 0.277 0.000 1.073 1230 L CA 1.742 56.799 54.840 0.362 0.000 0.745 1230 L CB -0.666 41.554 42.059 0.268 0.000 0.894 1230 L HN 0.165 nan 8.230 nan 0.000 0.432 1231 E N 0.648 120.934 120.200 0.144 0.000 2.085 1231 E HA -0.244 4.186 4.350 0.133 0.000 0.194 1231 E C 2.274 178.893 176.600 0.031 0.000 0.994 1231 E CA 1.283 57.727 56.400 0.074 0.000 0.801 1231 E CB -0.031 29.686 29.700 0.027 0.000 0.743 1231 E HN 0.420 nan 8.360 nan 0.000 0.453 1232 I N 0.551 121.119 120.570 -0.003 0.000 2.142 1232 I HA -0.305 3.945 4.170 0.133 0.000 0.240 1232 I C 2.315 178.416 176.117 -0.027 0.000 1.078 1232 I CA 1.107 62.387 61.300 -0.034 0.000 1.343 1232 I CB -0.206 37.723 38.000 -0.119 0.000 1.046 1232 I HN 0.204 nan 8.210 nan 0.000 0.405 1233 I N -0.269 120.290 120.570 -0.019 0.000 2.179 1233 I HA -0.335 3.915 4.170 0.133 0.000 0.242 1233 I C 2.771 178.729 176.117 -0.265 0.000 1.088 1233 I CA 1.480 62.692 61.300 -0.146 0.000 1.357 1233 I CB -0.451 37.454 38.000 -0.158 0.000 1.051 1233 I HN 0.197 nan 8.210 nan 0.000 0.409 1234 S N 0.553 116.149 115.700 -0.173 0.000 2.374 1234 S HA -0.251 4.299 4.470 0.133 0.000 0.227 1234 S C 2.282 176.849 174.600 -0.055 0.000 1.037 1234 S CA 2.148 60.301 58.200 -0.079 0.000 1.024 1234 S CB -0.454 62.811 63.200 0.108 0.000 0.861 1234 S HN 0.628 nan 8.310 nan 0.000 0.456 1235 S N 1.441 117.118 115.700 -0.039 0.000 2.419 1235 S HA -0.043 4.507 4.470 0.133 0.000 0.233 1235 S C 1.678 176.249 174.600 -0.048 0.000 1.016 1235 S CA 1.106 59.287 58.200 -0.031 0.000 0.974 1235 S CB -0.797 62.388 63.200 -0.025 0.000 0.786 1235 S HN 0.847 nan 8.310 nan 0.000 0.492 1236 I N -1.469 119.053 120.570 -0.081 0.000 4.154 1236 I HA 0.331 4.581 4.170 0.133 0.000 0.334 1236 I C 1.750 177.784 176.117 -0.139 0.000 1.371 1236 I CA -0.331 60.910 61.300 -0.097 0.000 1.110 1236 I CB -0.027 37.918 38.000 -0.093 0.000 1.085 1236 I HN 0.160 nan 8.210 nan 0.000 0.398 1237 K N 1.707 122.022 120.400 -0.142 0.000 2.113 1237 K HA -0.203 4.197 4.320 0.133 0.000 0.208 1237 K C 1.250 177.824 176.600 -0.044 0.000 1.047 1237 K CA 2.154 58.375 56.287 -0.111 0.000 0.928 1237 K CB -0.462 32.026 32.500 -0.020 0.000 0.716 1237 K HN 0.299 nan 8.250 nan 0.000 0.446 1238 E N 0.925 121.113 120.200 -0.020 0.000 2.204 1238 E HA -0.123 4.307 4.350 0.133 0.000 0.195 1238 E C 1.601 178.179 176.600 -0.036 0.000 0.990 1238 E CA 1.084 57.480 56.400 -0.007 0.000 0.821 1238 E CB 0.019 29.718 29.700 -0.001 0.000 0.750 1238 E HN 0.382 nan 8.360 nan 0.000 0.477 1239 E N -0.478 119.680 120.200 -0.071 0.000 2.478 1239 E HA 0.038 4.468 4.350 0.133 0.000 0.194 1239 E C 0.213 176.746 176.600 -0.112 0.000 1.045 1239 E CA 0.195 56.548 56.400 -0.079 0.000 0.868 1239 E CB 0.092 29.746 29.700 -0.077 0.000 0.885 1239 E HN 0.239 nan 8.360 nan 0.000 0.505 1240 M N 0.970 120.470 119.600 -0.167 0.000 2.242 1240 M HA 0.136 4.696 4.480 0.133 0.000 0.344 1240 M C 0.493 176.742 176.300 -0.085 0.000 1.140 1240 M CA -0.307 54.856 55.300 -0.229 0.000 1.160 1240 M CB 0.129 32.394 32.600 -0.558 0.000 1.491 1240 M HN -0.147 nan 8.290 nan 0.000 0.459 1241 E N 2.864 123.044 120.200 -0.033 0.000 2.442 1241 E HA -0.040 4.390 4.350 0.133 0.000 0.262 1241 E C -1.448 175.180 176.600 0.046 0.000 1.004 1241 E CA -1.025 55.387 56.400 0.020 0.000 0.928 1241 E CB 0.355 30.085 29.700 0.050 0.000 0.937 1241 E HN 0.377 nan 8.360 nan 0.000 0.446 1242 P HA -0.157 nan 4.420 nan 0.000 0.218 1242 P C 1.152 178.448 177.300 -0.007 0.000 1.146 1242 P CA 1.204 64.303 63.100 -0.002 0.000 0.813 1242 P CB 0.135 31.828 31.700 -0.012 0.000 0.778 1243 G N -1.238 107.575 108.800 0.021 0.000 2.470 1243 G HA2 -0.272 3.768 3.960 0.133 0.000 0.220 1243 G HA3 -0.272 3.768 3.960 0.133 0.000 0.220 1243 G C 1.289 176.193 174.900 0.006 0.000 1.121 1243 G CA -0.002 45.097 45.100 -0.002 0.000 0.766 1243 G HN 0.201 nan 8.290 nan 0.000 0.553 1244 F N 1.672 121.582 119.950 -0.065 0.000 2.161 1244 F HA -0.061 4.545 4.527 0.133 0.000 0.300 1244 F C 2.734 178.457 175.800 -0.128 0.000 1.089 1244 F CA 1.366 59.357 58.000 -0.015 0.000 1.282 1244 F CB 0.018 39.029 39.000 0.018 0.000 1.010 1244 F HN 0.043 nan 8.300 nan 0.000 0.485 1245 R N 0.118 120.444 120.500 -0.290 0.000 2.241 1245 R HA -0.121 4.299 4.340 0.133 0.000 0.224 1245 R C 1.692 177.791 176.300 -0.334 0.000 1.101 1245 R CA 1.592 57.237 56.100 -0.759 0.000 0.995 1245 R CB -0.330 29.540 30.300 -0.716 0.000 0.870 1245 R HN 0.487 nan 8.270 nan 0.000 0.463 1246 E N -0.266 119.812 120.200 -0.204 0.000 2.340 1246 E HA -0.045 4.385 4.350 0.133 0.000 0.198 1246 E C 1.668 178.175 176.600 -0.155 0.000 0.961 1246 E CA 0.784 57.103 56.400 -0.136 0.000 0.905 1246 E CB 0.592 30.225 29.700 -0.112 0.000 0.884 1246 E HN 0.251 nan 8.360 nan 0.000 0.491 1247 V N -0.986 118.790 119.914 -0.230 0.000 3.635 1247 V HA 0.145 4.345 4.120 0.133 0.000 0.266 1247 V C 0.965 176.911 176.094 -0.247 0.000 1.316 1247 V CA -0.094 62.013 62.300 -0.321 0.000 1.060 1247 V CB 0.315 31.726 31.823 -0.687 0.000 0.820 1247 V HN 0.091 nan 8.190 nan 0.000 0.447 1248 S N 0.159 115.704 115.700 -0.259 0.000 2.585 1248 S HA 0.309 4.859 4.470 0.133 0.000 0.273 1248 S C 0.703 175.327 174.600 0.040 0.000 1.339 1248 S CA 0.190 58.280 58.200 -0.184 0.000 1.028 1248 S CB 0.809 63.497 63.200 -0.853 0.000 0.906 1248 S HN 0.502 nan 8.310 nan 0.000 0.528 1249 F N 2.014 122.011 119.950 0.079 0.000 2.134 1249 F HA -0.076 4.531 4.527 0.134 0.000 0.299 1249 F C 1.957 177.837 175.800 0.133 0.000 1.097 1249 F CA 1.331 59.419 58.000 0.147 0.000 1.264 1249 F CB -0.824 38.342 39.000 0.276 0.000 1.001 1249 F HN 0.806 nan 8.300 nan 0.000 0.479 1250 Y N -0.148 120.060 120.300 -0.154 0.000 2.102 1250 Y HA -0.347 4.283 4.550 0.133 0.000 0.280 1250 Y C 1.691 177.361 175.900 -0.382 0.000 1.178 1250 Y CA 2.413 60.349 58.100 -0.275 0.000 1.146 1250 Y CB -0.806 37.664 38.460 0.017 0.000 0.968 1250 Y HN 0.186 nan 8.280 nan 0.000 0.504 1251 Y N -0.114 120.146 120.300 -0.067 0.000 2.466 1251 Y HA 0.123 4.752 4.550 0.133 0.000 0.272 1251 Y C 1.324 177.139 175.900 -0.141 0.000 1.169 1251 Y CA 0.052 58.110 58.100 -0.069 0.000 1.285 1251 Y CB -0.146 38.314 38.460 0.000 0.000 1.078 1251 Y HN 0.014 nan 8.280 nan 0.000 0.523 1252 S N -0.779 114.857 115.700 -0.107 0.000 2.632 1252 S HA 0.034 4.584 4.470 0.133 0.000 0.267 1252 S C 1.281 175.809 174.600 -0.120 0.000 1.276 1252 S CA -0.644 57.511 58.200 -0.075 0.000 0.998 1252 S CB 1.384 64.578 63.200 -0.010 0.000 0.953 1252 S HN 0.438 nan 8.310 nan 0.000 0.547 1253 E N 0.357 120.532 120.200 -0.042 0.000 2.160 1253 E HA -0.210 4.220 4.350 0.133 0.000 0.195 1253 E C 1.764 178.346 176.600 -0.031 0.000 0.991 1253 E CA 1.163 57.543 56.400 -0.033 0.000 0.810 1253 E CB -0.129 29.575 29.700 0.005 0.000 0.742 1253 E HN 0.866 nan 8.360 nan 0.000 0.466 1254 E N 0.595 120.806 120.200 0.018 0.000 2.204 1254 E HA -0.173 4.257 4.350 0.133 0.000 0.195 1254 E C 0.529 177.149 176.600 0.034 0.000 0.990 1254 E CA 0.263 56.736 56.400 0.121 0.000 0.821 1254 E CB -0.006 29.901 29.700 0.345 0.000 0.750 1254 E HN 0.022 nan 8.360 nan 0.000 0.477 1255 N N 1.524 120.017 118.700 -0.346 0.000 2.739 1255 N HA 0.004 4.824 4.740 0.133 0.000 0.266 1255 N C -0.862 174.490 175.510 -0.263 0.000 1.168 1255 N CA 0.184 52.900 53.050 -0.557 0.000 1.055 1255 N CB -0.214 37.636 38.487 -1.061 0.000 1.393 1255 N HN 0.008 nan 8.380 nan 0.000 0.514 1256 K N 0.000 120.344 120.400 -0.093 0.000 2.780 1256 K HA 0.000 4.400 4.320 0.133 0.000 0.191 1256 K CA 0.000 56.258 56.287 -0.048 0.000 0.838 1256 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 1256 K HN 0.000 nan 8.250 nan 0.000 0.543