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 2fne_1_A DATA FIRST_RESID 1954 DATA SEQUENCE MPQCKSITLE RGPDGLGFSI VGGYGSPHGD LPIYVKTVFA KGAASEDGRL DATA SEQUENCE KRGDQIIAVN GQSLEGVTHE EAVAILKRTK GTVTLMVLSS DETSV 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 1954 M HA 0.000 nan 4.480 nan 0.000 0.227 1954 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1954 M CA 0.000 55.297 55.300 -0.004 0.000 0.988 1954 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 1955 P HA 0.456 nan 4.420 nan 0.000 0.282 1955 P C -0.938 176.362 177.300 -0.001 0.000 1.274 1955 P CA 0.195 63.296 63.100 0.002 0.000 0.770 1955 P CB 1.058 32.763 31.700 0.008 0.000 0.867 1956 Q N 2.835 122.633 119.800 -0.004 0.000 2.342 1956 Q HA 0.360 4.689 4.340 -0.019 0.000 0.267 1956 Q C -1.012 174.983 176.000 -0.009 0.000 1.038 1956 Q CA -0.775 55.024 55.803 -0.007 0.000 0.832 1956 Q CB 1.374 30.106 28.738 -0.009 0.000 1.323 1956 Q HN 0.343 nan 8.270 nan 0.000 0.448 1957 C N 3.029 122.323 119.300 -0.009 0.000 2.499 1957 C HA 0.469 4.917 4.460 -0.019 0.000 0.386 1957 C C -0.311 174.670 174.990 -0.015 0.000 1.293 1957 C CA 0.088 59.099 59.018 -0.012 0.000 1.884 1957 C CB -0.541 27.193 27.740 -0.010 0.000 2.509 1957 C HN 0.750 nan 8.230 nan 0.000 0.566 1958 K N 3.381 123.769 120.400 -0.020 0.000 2.395 1958 K HA 0.538 4.846 4.320 -0.019 0.000 0.247 1958 K C -0.921 175.666 176.600 -0.023 0.000 0.973 1958 K CA -0.405 55.869 56.287 -0.022 0.000 0.828 1958 K CB 2.078 34.561 32.500 -0.029 0.000 1.272 1958 K HN 0.558 nan 8.250 nan 0.000 0.439 1959 S N 1.740 117.429 115.700 -0.019 0.000 2.498 1959 S HA 0.502 4.961 4.470 -0.019 0.000 0.317 1959 S C -0.581 174.009 174.600 -0.017 0.000 1.090 1959 S CA -0.671 57.520 58.200 -0.016 0.000 1.089 1959 S CB 0.386 63.580 63.200 -0.010 0.000 0.997 1959 S HN 0.361 nan 8.310 nan 0.000 0.470 1960 I N 2.663 123.221 120.570 -0.020 0.000 2.436 1960 I HA 0.351 4.510 4.170 -0.019 0.000 0.289 1960 I C -0.302 175.813 176.117 -0.003 0.000 1.010 1960 I CA -0.352 60.935 61.300 -0.020 0.000 1.098 1960 I CB 2.141 40.114 38.000 -0.046 0.000 1.266 1960 I HN 0.401 nan 8.210 nan 0.000 0.434 1961 T N 7.319 121.876 114.554 0.006 0.000 2.770 1961 T HA 0.630 4.968 4.350 -0.019 0.000 0.283 1961 T C -0.325 174.392 174.700 0.027 0.000 0.988 1961 T CA -0.420 61.690 62.100 0.017 0.000 0.957 1961 T CB 0.807 69.683 68.868 0.013 0.000 0.930 1961 T HN 0.258 nan 8.240 nan 0.000 0.443 1962 L N 2.644 123.894 121.223 0.044 0.000 2.362 1962 L HA 0.563 4.892 4.340 -0.019 0.000 0.271 1962 L C 0.089 176.989 176.870 0.050 0.000 1.002 1962 L CA -1.134 53.740 54.840 0.057 0.000 0.818 1962 L CB 1.823 43.941 42.059 0.097 0.000 1.298 1962 L HN 0.409 nan 8.230 nan 0.000 0.420 1963 E N 2.539 122.765 120.200 0.044 0.000 2.146 1963 E HA 0.307 4.646 4.350 -0.019 0.000 0.282 1963 E C -0.623 176.002 176.600 0.041 0.000 0.989 1963 E CA -0.667 55.754 56.400 0.036 0.000 0.799 1963 E CB 1.538 31.254 29.700 0.028 0.000 1.088 1963 E HN 0.390 nan 8.360 nan 0.000 0.397 1964 R N 1.025 121.547 120.500 0.035 0.000 2.583 1964 R HA 0.114 4.443 4.340 -0.019 0.000 0.274 1964 R C 0.921 177.237 176.300 0.027 0.000 0.998 1964 R CA 0.446 56.565 56.100 0.031 0.000 1.081 1964 R CB 0.352 30.662 30.300 0.017 0.000 0.940 1964 R HN 0.561 nan 8.270 nan 0.000 0.413 1965 G N 2.514 111.332 108.800 0.030 0.000 2.510 1965 G HA2 0.183 4.131 3.960 -0.019 0.000 0.280 1965 G HA3 0.183 4.131 3.960 -0.019 0.000 0.280 1965 G C -1.470 173.437 174.900 0.012 0.000 1.386 1965 G CA -0.863 44.252 45.100 0.024 0.000 1.047 1965 G HN 0.461 nan 8.290 nan 0.000 0.527 1966 P HA 0.058 nan 4.420 nan 0.000 0.225 1966 P C 0.359 177.653 177.300 -0.010 0.000 1.156 1966 P CA 0.864 63.962 63.100 -0.003 0.000 0.787 1966 P CB 0.422 32.120 31.700 -0.004 0.000 0.802 1967 D N -0.165 120.230 120.400 -0.008 0.000 2.358 1967 D HA 0.228 4.856 4.640 -0.019 0.000 0.224 1967 D C 1.304 177.596 176.300 -0.014 0.000 1.123 1967 D CA 0.625 54.612 54.000 -0.021 0.000 0.833 1967 D CB 0.622 41.404 40.800 -0.029 0.000 0.946 1967 D HN 0.163 nan 8.370 nan 0.000 0.505 1968 G N 1.116 109.911 108.800 -0.009 0.000 2.499 1968 G HA2 -0.286 3.663 3.960 -0.019 0.000 0.232 1968 G HA3 -0.286 3.663 3.960 -0.019 0.000 0.232 1968 G C 0.672 175.575 174.900 0.005 0.000 1.251 1968 G CA -0.293 44.795 45.100 -0.020 0.000 0.917 1968 G HN 0.232 nan 8.290 nan 0.000 0.580 1969 L N 1.709 122.913 121.223 -0.031 0.000 2.291 1969 L HA 0.347 4.675 4.340 -0.019 0.000 0.214 1969 L C 2.277 179.240 176.870 0.156 0.000 1.120 1969 L CA 1.297 56.166 54.840 0.048 0.000 0.799 1969 L CB -0.533 41.533 42.059 0.011 0.000 0.925 1969 L HN 2.269 nan 8.230 nan 0.000 0.446 1970 G N 0.586 109.454 108.800 0.113 0.000 2.204 1970 G HA2 -0.277 3.672 3.960 -0.019 0.000 0.244 1970 G HA3 -0.277 3.672 3.960 -0.019 0.000 0.244 1970 G C -0.144 175.002 174.900 0.409 0.000 1.062 1970 G CA 0.158 45.439 45.100 0.302 0.000 0.798 1970 G HN 0.368 nan 8.290 nan 0.000 0.496 1971 F N -1.451 118.602 119.950 0.172 0.000 2.686 1971 F HA 0.856 5.373 4.527 -0.017 0.000 0.311 1971 F C -0.147 175.653 175.800 0.000 0.000 1.128 1971 F CA -1.032 56.883 58.000 -0.141 0.000 0.946 1971 F CB 0.819 39.733 39.000 -0.144 0.000 1.336 1971 F HN 0.598 nan 8.300 nan 0.000 0.457 1972 S N 1.553 117.271 115.700 0.030 0.000 2.621 1972 S HA 0.893 5.352 4.470 -0.019 0.000 0.302 1972 S C -0.680 174.070 174.600 0.249 0.000 1.093 1972 S CA -0.625 57.656 58.200 0.134 0.000 1.017 1972 S CB 1.812 65.121 63.200 0.182 0.000 1.077 1972 S HN 1.093 nan 8.310 nan 0.000 0.517 1973 I N -0.490 120.206 120.570 0.209 0.000 2.740 1973 I HA 0.904 5.063 4.170 -0.019 0.000 0.303 1973 I C -0.607 175.691 176.117 0.301 0.000 1.044 1973 I CA -1.435 60.005 61.300 0.232 0.000 1.064 1973 I CB 2.005 40.095 38.000 0.149 0.000 1.249 1973 I HN 0.658 nan 8.210 nan 0.000 0.433 1974 V N 1.252 121.350 119.914 0.307 0.000 3.126 1974 V HA 1.095 5.204 4.120 -0.019 0.000 0.314 1974 V C 0.263 176.577 176.094 0.367 0.000 1.138 1974 V CA 0.096 62.617 62.300 0.369 0.000 1.034 1974 V CB 0.681 32.658 31.823 0.256 0.000 1.075 1974 V HN 1.742 nan 8.190 nan 0.000 0.442 1975 G N -0.420 108.611 108.800 0.385 0.000 2.526 1975 G HA2 0.559 4.508 3.960 -0.019 0.000 0.250 1975 G HA3 0.559 4.508 3.960 -0.019 0.000 0.250 1975 G C 0.346 175.417 174.900 0.286 0.000 1.289 1975 G CA -0.049 45.232 45.100 0.301 0.000 0.947 1975 G HN 3.191 nan 8.290 nan 0.000 0.517 1976 G N -2.386 106.518 108.800 0.172 0.000 2.465 1976 G HA2 0.489 4.437 3.960 -0.019 0.000 0.681 1976 G HA3 0.489 4.437 3.960 -0.019 0.000 0.681 1976 G C -0.557 174.449 174.900 0.176 0.000 1.340 1976 G CA 0.201 45.403 45.100 0.171 0.000 0.884 1976 G HN 2.211 nan 8.290 nan 0.000 0.650 1977 Y N 1.561 121.891 120.300 0.050 0.000 2.721 1977 Y HA 0.350 4.888 4.550 -0.019 0.000 0.329 1977 Y C 1.563 177.492 175.900 0.048 0.000 1.211 1977 Y CA 1.620 59.745 58.100 0.041 0.000 1.512 1977 Y CB 0.666 39.142 38.460 0.026 0.000 1.249 1977 Y HN 2.427 nan 8.280 nan 0.000 0.549 1978 G N 3.650 112.188 108.800 -0.435 0.000 2.143 1978 G HA2 -0.295 3.654 3.960 -0.019 0.000 0.248 1978 G HA3 -0.295 3.654 3.960 -0.019 0.000 0.248 1978 G C 0.251 175.074 174.900 -0.128 0.000 0.991 1978 G CA 0.366 45.249 45.100 -0.361 0.000 0.689 1978 G HN 1.203 nan 8.290 nan 0.000 0.522 1979 S N -0.182 115.491 115.700 -0.044 0.000 2.589 1979 S HA 0.536 4.995 4.470 -0.019 0.000 0.265 1979 S C -0.332 174.237 174.600 -0.051 0.000 1.342 1979 S CA -0.242 57.955 58.200 -0.004 0.000 1.005 1979 S CB 1.555 64.811 63.200 0.094 0.000 0.909 1979 S HN -0.008 nan 8.310 nan 0.000 0.555 1980 P HA -0.090 nan 4.420 nan 0.000 0.218 1980 P C 0.487 177.654 177.300 -0.222 0.000 1.146 1980 P CA 1.499 64.483 63.100 -0.193 0.000 0.813 1980 P CB -0.173 31.353 31.700 -0.290 0.000 0.778 1981 H N -2.134 116.933 119.070 -0.005 0.000 2.539 1981 H HA 0.347 4.892 4.556 -0.020 0.000 0.267 1981 H C 1.298 176.634 175.328 0.012 0.000 0.982 1981 H CA 0.587 56.642 56.048 0.011 0.000 1.146 1981 H CB 0.013 29.797 29.762 0.035 0.000 1.382 1981 H HN 0.158 nan 8.280 nan 0.000 0.577 1982 G N -0.050 108.794 108.800 0.074 0.000 2.331 1982 G HA2 -0.177 3.772 3.960 -0.019 0.000 0.479 1982 G HA3 -0.177 3.772 3.960 -0.019 0.000 0.479 1982 G C -1.702 173.212 174.900 0.024 0.000 1.262 1982 G CA -0.835 44.285 45.100 0.034 0.000 1.029 1982 G HN 0.118 nan 8.290 nan 0.000 0.487 1983 D N 1.383 121.791 120.400 0.015 0.000 2.393 1983 D HA 0.536 5.165 4.640 -0.019 0.000 0.232 1983 D C 0.417 176.785 176.300 0.113 0.000 1.192 1983 D CA 0.416 54.442 54.000 0.043 0.000 0.882 1983 D CB 0.766 41.611 40.800 0.074 0.000 1.038 1983 D HN 0.452 nan 8.370 nan 0.000 0.499 1984 L N 3.214 124.513 121.223 0.128 0.000 2.341 1984 L HA 0.476 4.804 4.340 -0.019 0.000 0.267 1984 L C -2.146 174.749 176.870 0.041 0.000 1.009 1984 L CA -2.100 52.819 54.840 0.132 0.000 0.819 1984 L CB 2.307 44.495 42.059 0.215 0.000 1.323 1984 L HN 0.025 nan 8.230 nan 0.000 0.425 1985 P HA 0.114 nan 4.420 nan 0.000 0.282 1985 P C -0.871 176.184 177.300 -0.407 0.000 1.286 1985 P CA -0.281 62.652 63.100 -0.278 0.000 0.777 1985 P CB 0.561 31.982 31.700 -0.465 0.000 1.184 1986 I N 0.521 120.867 120.570 -0.373 0.000 2.315 1986 I HA 0.245 4.404 4.170 -0.019 0.000 0.291 1986 I C -0.099 175.826 176.117 -0.321 0.000 1.006 1986 I CA -0.403 60.759 61.300 -0.229 0.000 1.265 1986 I CB -0.756 37.184 38.000 -0.100 0.000 1.387 1986 I HN 0.311 nan 8.210 nan 0.000 0.475 1987 Y N 4.428 124.760 120.300 0.054 0.000 2.393 1987 Y HA 0.389 4.927 4.550 -0.020 0.000 0.341 1987 Y C 0.377 176.300 175.900 0.039 0.000 0.988 1987 Y CA -1.131 56.983 58.100 0.023 0.000 1.078 1987 Y CB 2.039 40.505 38.460 0.010 0.000 1.203 1987 Y HN 0.181 nan 8.280 nan 0.000 0.453 1988 V N 4.247 124.254 119.914 0.155 0.000 2.529 1988 V HA -0.041 4.068 4.120 -0.019 0.000 0.292 1988 V C 0.780 176.918 176.094 0.073 0.000 1.028 1988 V CA 0.329 62.674 62.300 0.074 0.000 1.074 1988 V CB 1.098 32.837 31.823 -0.141 0.000 0.958 1988 V HN 0.888 nan 8.190 nan 0.000 0.481 1989 K N 3.199 123.648 120.400 0.082 0.000 2.161 1989 K HA 0.147 4.456 4.320 -0.019 0.000 0.205 1989 K C 0.404 176.977 176.600 -0.046 0.000 1.035 1989 K CA 0.581 56.886 56.287 0.029 0.000 0.970 1989 K CB 0.533 33.073 32.500 0.067 0.000 0.866 1989 K HN 0.702 nan 8.250 nan 0.000 0.461 1990 T N 1.091 115.572 114.554 -0.121 0.000 2.861 1990 T HA 0.389 4.728 4.350 -0.019 0.000 0.287 1990 T C -1.324 173.102 174.700 -0.456 0.000 1.003 1990 T CA -0.698 61.234 62.100 -0.280 0.000 0.977 1990 T CB 2.184 70.846 68.868 -0.343 0.000 0.996 1990 T HN -0.117 nan 8.240 nan 0.000 0.448 1991 V N 4.225 123.950 119.914 -0.316 0.000 2.333 1991 V HA 0.396 4.504 4.120 -0.019 0.000 0.274 1991 V C -0.551 175.423 176.094 -0.200 0.000 1.028 1991 V CA -0.786 61.374 62.300 -0.233 0.000 0.851 1991 V CB -0.119 31.645 31.823 -0.098 0.000 1.000 1991 V HN 0.728 nan 8.190 nan 0.000 0.456 1992 F N 3.163 123.177 119.950 0.106 0.000 2.456 1992 F HA 0.498 5.027 4.527 0.002 0.000 0.358 1992 F C 1.123 176.955 175.800 0.053 0.000 1.095 1992 F CA -0.461 57.580 58.000 0.068 0.000 1.216 1992 F CB 0.452 39.487 39.000 0.059 0.000 1.125 1992 F HN 0.581 nan 8.300 nan 0.000 0.549 1993 A N 3.048 126.008 122.820 0.233 0.000 2.587 1993 A HA 0.362 4.670 4.320 -0.019 0.000 0.235 1993 A C 1.208 178.870 177.584 0.130 0.000 1.044 1993 A CA 0.689 52.809 52.037 0.138 0.000 0.754 1993 A CB -0.663 18.399 19.000 0.103 0.000 0.968 1993 A HN 1.571 nan 8.150 nan 0.000 0.509 1994 K N 0.309 120.765 120.400 0.093 0.000 3.587 1994 K HA -0.123 4.186 4.320 -0.019 0.000 0.294 1994 K C 1.589 178.239 176.600 0.084 0.000 1.279 1994 K CA 2.443 58.774 56.287 0.073 0.000 1.004 1994 K CB -2.288 30.244 32.500 0.054 0.000 1.276 1994 K HN 2.650 nan 8.250 nan 0.000 0.459 1995 G N -2.052 106.823 108.800 0.125 0.000 2.543 1995 G HA2 0.698 4.647 3.960 -0.019 0.000 0.290 1995 G HA3 0.698 4.647 3.960 -0.019 0.000 0.290 1995 G C 1.508 176.477 174.900 0.114 0.000 1.310 1995 G CA 0.327 45.507 45.100 0.133 0.000 1.025 1995 G HN 1.307 nan 8.290 nan 0.000 0.502 1996 A N -0.464 122.426 122.820 0.116 0.000 1.898 1996 A HA 0.226 4.534 4.320 -0.019 0.000 0.216 1996 A C 2.710 180.357 177.584 0.105 0.000 1.181 1996 A CA 2.345 54.440 52.037 0.097 0.000 0.620 1996 A CB -0.893 18.163 19.000 0.094 0.000 0.819 1996 A HN 1.241 nan 8.150 nan 0.000 0.442 1997 A N -0.689 122.225 122.820 0.156 0.000 1.933 1997 A HA -0.122 4.186 4.320 -0.019 0.000 0.218 1997 A C 2.490 180.112 177.584 0.064 0.000 1.175 1997 A CA 2.251 54.364 52.037 0.126 0.000 0.628 1997 A CB -0.875 18.256 19.000 0.218 0.000 0.814 1997 A HN 0.583 nan 8.150 nan 0.000 0.444 1998 S N -0.889 114.860 115.700 0.082 0.000 2.371 1998 S HA -0.132 4.327 4.470 -0.019 0.000 0.224 1998 S C 1.922 176.547 174.600 0.041 0.000 1.029 1998 S CA 1.348 59.580 58.200 0.054 0.000 0.978 1998 S CB -0.343 62.902 63.200 0.075 0.000 0.833 1998 S HN 0.537 nan 8.310 nan 0.000 0.466 1999 E N 0.968 121.198 120.200 0.049 0.000 2.106 1999 E HA -0.138 4.201 4.350 -0.019 0.000 0.192 1999 E C 1.672 178.288 176.600 0.027 0.000 0.984 1999 E CA 1.273 57.695 56.400 0.037 0.000 0.806 1999 E CB -0.575 29.149 29.700 0.040 0.000 0.750 1999 E HN 0.732 nan 8.360 nan 0.000 0.458 2000 D N -0.751 119.666 120.400 0.028 0.000 2.144 2000 D HA -0.107 4.521 4.640 -0.019 0.000 0.200 2000 D C 1.305 177.608 176.300 0.005 0.000 0.978 2000 D CA 2.088 56.098 54.000 0.017 0.000 0.833 2000 D CB 0.007 40.818 40.800 0.019 0.000 0.961 2000 D HN 0.255 nan 8.370 nan 0.000 0.470 2001 G N -0.376 108.425 108.800 0.002 0.000 2.176 2001 G HA2 -0.361 3.587 3.960 -0.019 0.000 0.253 2001 G HA3 -0.361 3.587 3.960 -0.019 0.000 0.253 2001 G C 1.274 176.161 174.900 -0.021 0.000 0.979 2001 G CA 0.538 45.634 45.100 -0.007 0.000 0.641 2001 G HN 0.388 nan 8.290 nan 0.000 0.530 2002 R N -1.140 119.342 120.500 -0.030 0.000 2.087 2002 R HA 0.362 4.691 4.340 -0.019 0.000 0.216 2002 R C 1.312 177.570 176.300 -0.070 0.000 1.114 2002 R CA 0.226 56.300 56.100 -0.043 0.000 1.002 2002 R CB -0.016 30.261 30.300 -0.039 0.000 0.903 2002 R HN 0.350 nan 8.270 nan 0.000 0.445 2003 L N 2.615 123.778 121.223 -0.101 0.000 2.485 2003 L HA 0.036 4.364 4.340 -0.019 0.000 0.275 2003 L C -0.214 176.567 176.870 -0.148 0.000 1.207 2003 L CA 0.882 55.620 54.840 -0.170 0.000 0.855 2003 L CB 0.388 42.272 42.059 -0.291 0.000 1.114 2003 L HN 0.107 nan 8.230 nan 0.000 0.485 2004 K N 3.888 124.198 120.400 -0.150 0.000 2.536 2004 K HA 0.435 4.744 4.320 -0.019 0.000 0.269 2004 K C -0.916 175.620 176.600 -0.107 0.000 0.965 2004 K CA -1.117 55.103 56.287 -0.111 0.000 0.860 2004 K CB 0.980 33.435 32.500 -0.075 0.000 1.423 2004 K HN 0.532 nan 8.250 nan 0.000 0.438 2005 R N 0.432 120.879 120.500 -0.088 0.000 2.523 2005 R HA 0.030 4.359 4.340 -0.019 0.000 0.281 2005 R C 0.670 176.934 176.300 -0.060 0.000 0.969 2005 R CA 2.348 58.406 56.100 -0.071 0.000 1.093 2005 R CB -0.488 29.772 30.300 -0.065 0.000 0.917 2005 R HN 1.018 nan 8.270 nan 0.000 0.408 2006 G N 2.845 111.619 108.800 -0.042 0.000 2.258 2006 G HA2 -0.239 3.710 3.960 -0.019 0.000 0.233 2006 G HA3 -0.239 3.710 3.960 -0.019 0.000 0.233 2006 G C -0.399 174.538 174.900 0.062 0.000 1.006 2006 G CA 0.134 45.206 45.100 -0.047 0.000 0.620 2006 G HN 0.705 nan 8.290 nan 0.000 0.511 2007 D N 1.261 121.678 120.400 0.027 0.000 2.488 2007 D HA 0.348 4.977 4.640 -0.019 0.000 0.238 2007 D C 0.603 176.967 176.300 0.106 0.000 1.138 2007 D CA 0.569 54.586 54.000 0.028 0.000 0.873 2007 D CB 0.807 41.563 40.800 -0.073 0.000 1.183 2007 D HN 0.586 nan 8.370 nan 0.000 0.458 2008 Q N 2.089 121.936 119.800 0.079 0.000 2.314 2008 Q HA 0.354 4.682 4.340 -0.019 0.000 0.259 2008 Q C -0.620 175.338 176.000 -0.069 0.000 0.951 2008 Q CA -0.663 55.122 55.803 -0.029 0.000 0.909 2008 Q CB 0.770 29.477 28.738 -0.052 0.000 1.236 2008 Q HN 0.440 nan 8.270 nan 0.000 0.444 2009 I N 5.972 126.489 120.570 -0.088 0.000 2.363 2009 I HA -0.001 4.157 4.170 -0.019 0.000 0.292 2009 I C 0.712 176.793 176.117 -0.061 0.000 1.075 2009 I CA -0.371 60.895 61.300 -0.058 0.000 1.333 2009 I CB 0.639 38.629 38.000 -0.015 0.000 1.415 2009 I HN 0.740 nan 8.210 nan 0.000 0.502 2010 I N 5.001 125.543 120.570 -0.047 0.000 2.585 2010 I HA 0.187 4.346 4.170 -0.019 0.000 0.254 2010 I C 1.122 177.222 176.117 -0.029 0.000 1.129 2010 I CA 0.797 62.072 61.300 -0.042 0.000 1.455 2010 I CB -0.508 37.472 38.000 -0.033 0.000 1.111 2010 I HN 0.601 nan 8.210 nan 0.000 0.433 2011 A N 0.069 122.878 122.820 -0.019 0.000 2.606 2011 A HA 0.703 5.011 4.320 -0.019 0.000 0.293 2011 A C -1.326 176.259 177.584 0.002 0.000 1.082 2011 A CA -0.377 51.654 52.037 -0.010 0.000 0.685 2011 A CB 1.877 20.871 19.000 -0.010 0.000 1.284 2011 A HN -0.180 nan 8.150 nan 0.000 0.408 2012 V N 2.372 122.289 119.914 0.006 0.000 2.409 2012 V HA 0.366 4.474 4.120 -0.019 0.000 0.290 2012 V C -0.221 175.880 176.094 0.012 0.000 1.017 2012 V CA -0.680 61.631 62.300 0.018 0.000 0.841 2012 V CB 0.939 32.777 31.823 0.026 0.000 1.003 2012 V HN 0.948 nan 8.190 nan 0.000 0.426 2013 N N 3.995 122.702 118.700 0.013 0.000 2.727 2013 N HA -0.216 4.512 4.740 -0.019 0.000 0.249 2013 N C 1.249 176.761 175.510 0.003 0.000 1.048 2013 N CA 1.831 54.886 53.050 0.008 0.000 0.714 2013 N CB -1.060 37.433 38.487 0.009 0.000 0.959 2013 N HN 1.536 nan 8.380 nan 0.000 0.544 2014 G N -1.945 106.855 108.800 0.001 0.000 2.205 2014 G HA2 -0.336 3.612 3.960 -0.019 0.000 0.261 2014 G HA3 -0.336 3.612 3.960 -0.019 0.000 0.261 2014 G C -0.210 174.687 174.900 -0.005 0.000 0.980 2014 G CA 0.364 45.462 45.100 -0.003 0.000 0.632 2014 G HN 0.423 nan 8.290 nan 0.000 0.533 2015 Q N 1.047 120.844 119.800 -0.004 0.000 2.322 2015 Q HA 0.498 4.826 4.340 -0.019 0.000 0.256 2015 Q C 0.384 176.378 176.000 -0.010 0.000 0.960 2015 Q CA 0.100 55.899 55.803 -0.007 0.000 0.934 2015 Q CB 1.516 30.251 28.738 -0.005 0.000 1.200 2015 Q HN 0.343 nan 8.270 nan 0.000 0.435 2016 S N 2.833 118.525 115.700 -0.014 0.000 2.562 2016 S HA 0.138 4.597 4.470 -0.019 0.000 0.281 2016 S C 0.995 175.581 174.600 -0.023 0.000 1.333 2016 S CA -0.340 57.849 58.200 -0.019 0.000 1.052 2016 S CB 0.308 63.494 63.200 -0.023 0.000 0.884 2016 S HN 0.626 nan 8.310 nan 0.000 0.506 2017 L N 3.149 124.356 121.223 -0.027 0.000 2.629 2017 L HA 0.263 4.592 4.340 -0.019 0.000 0.230 2017 L C 1.161 178.008 176.870 -0.039 0.000 1.151 2017 L CA 0.019 54.840 54.840 -0.032 0.000 0.924 2017 L CB -0.476 41.562 42.059 -0.035 0.000 1.137 2017 L HN 0.743 nan 8.230 nan 0.000 0.457 2018 E N 1.253 121.429 120.200 -0.040 0.000 2.480 2018 E HA 0.031 4.370 4.350 -0.019 0.000 0.258 2018 E C 1.210 177.776 176.600 -0.055 0.000 0.984 2018 E CA 0.732 57.105 56.400 -0.045 0.000 0.930 2018 E CB 0.398 30.073 29.700 -0.042 0.000 0.936 2018 E HN 0.391 nan 8.360 nan 0.000 0.466 2019 G N 2.959 111.728 108.800 -0.051 0.000 2.175 2019 G HA2 -0.323 3.626 3.960 -0.019 0.000 0.265 2019 G HA3 -0.323 3.626 3.960 -0.019 0.000 0.265 2019 G C 0.398 175.257 174.900 -0.068 0.000 0.979 2019 G CA 0.452 45.503 45.100 -0.082 0.000 0.663 2019 G HN 0.866 nan 8.290 nan 0.000 0.533 2020 V N -0.797 119.108 119.914 -0.016 0.000 3.051 2020 V HA 0.762 4.871 4.120 -0.019 0.000 0.306 2020 V C 1.075 177.227 176.094 0.097 0.000 1.083 2020 V CA 0.138 62.446 62.300 0.013 0.000 1.104 2020 V CB 0.899 32.722 31.823 -0.001 0.000 1.027 2020 V HN 1.129 nan 8.190 nan 0.000 0.483 2021 T N -0.298 114.331 114.554 0.125 0.000 2.813 2021 T HA 0.178 4.517 4.350 -0.019 0.000 0.297 2021 T C 0.952 175.734 174.700 0.137 0.000 1.036 2021 T CA 0.925 63.131 62.100 0.176 0.000 1.044 2021 T CB 0.383 69.349 68.868 0.164 0.000 0.993 2021 T HN 0.940 nan 8.240 nan 0.000 0.535 2022 H N 0.850 119.962 119.070 0.071 0.000 2.289 2022 H HA -0.129 4.414 4.556 -0.021 0.000 0.296 2022 H C 1.962 177.317 175.328 0.045 0.000 1.091 2022 H CA 2.644 58.727 56.048 0.057 0.000 1.274 2022 H CB -0.143 29.652 29.762 0.055 0.000 1.364 2022 H HN 0.810 nan 8.280 nan 0.000 0.490 2023 E N 0.305 120.605 120.200 0.166 0.000 2.110 2023 E HA -0.134 4.205 4.350 -0.019 0.000 0.193 2023 E C 2.246 178.861 176.600 0.026 0.000 0.988 2023 E CA 1.339 57.794 56.400 0.092 0.000 0.804 2023 E CB -0.077 29.681 29.700 0.097 0.000 0.745 2023 E HN 0.639 nan 8.360 nan 0.000 0.458 2024 E N 0.237 120.456 120.200 0.031 0.000 2.077 2024 E HA -0.173 4.165 4.350 -0.019 0.000 0.193 2024 E C 2.036 178.624 176.600 -0.019 0.000 0.989 2024 E CA 1.065 57.471 56.400 0.009 0.000 0.800 2024 E CB -0.167 29.545 29.700 0.019 0.000 0.746 2024 E HN 0.294 nan 8.360 nan 0.000 0.452 2025 A N 0.737 123.530 122.820 -0.044 0.000 1.902 2025 A HA -0.154 4.155 4.320 -0.019 0.000 0.217 2025 A C 2.483 180.015 177.584 -0.086 0.000 1.181 2025 A CA 1.216 53.211 52.037 -0.070 0.000 0.623 2025 A CB -0.667 18.271 19.000 -0.104 0.000 0.818 2025 A HN 0.127 nan 8.150 nan 0.000 0.443 2026 V N -0.100 119.737 119.914 -0.127 0.000 2.343 2026 V HA -0.261 3.848 4.120 -0.019 0.000 0.247 2026 V C 3.064 179.124 176.094 -0.056 0.000 1.051 2026 V CA 1.958 64.194 62.300 -0.107 0.000 1.036 2026 V CB -1.273 30.497 31.823 -0.089 0.000 0.654 2026 V HN 0.625 nan 8.190 nan 0.000 0.451 2027 A N -0.035 122.764 122.820 -0.034 0.000 1.883 2027 A HA -0.199 4.110 4.320 -0.019 0.000 0.217 2027 A C 2.181 179.753 177.584 -0.020 0.000 1.186 2027 A CA 2.097 54.122 52.037 -0.019 0.000 0.624 2027 A CB -0.565 18.431 19.000 -0.007 0.000 0.822 2027 A HN 0.513 nan 8.150 nan 0.000 0.444 2028 I N -0.548 120.010 120.570 -0.020 0.000 2.226 2028 I HA -0.249 3.910 4.170 -0.019 0.000 0.245 2028 I C 2.393 178.503 176.117 -0.012 0.000 1.100 2028 I CA 1.090 62.383 61.300 -0.013 0.000 1.374 2028 I CB -0.322 37.671 38.000 -0.011 0.000 1.057 2028 I HN 0.282 nan 8.210 nan 0.000 0.413 2029 L N 0.411 121.622 121.223 -0.020 0.000 2.083 2029 L HA -0.207 4.122 4.340 -0.019 0.000 0.209 2029 L C 2.423 179.270 176.870 -0.037 0.000 1.083 2029 L CA 1.501 56.328 54.840 -0.022 0.000 0.752 2029 L CB -0.426 41.602 42.059 -0.051 0.000 0.899 2029 L HN 0.191 nan 8.230 nan 0.000 0.433 2030 K N -0.142 120.232 120.400 -0.043 0.000 2.314 2030 K HA -0.060 4.249 4.320 -0.019 0.000 0.198 2030 K C 1.987 178.573 176.600 -0.023 0.000 1.045 2030 K CA 0.592 56.855 56.287 -0.040 0.000 0.988 2030 K CB 0.151 32.625 32.500 -0.043 0.000 0.783 2030 K HN 0.382 nan 8.250 nan 0.000 0.484 2031 R N 1.175 121.666 120.500 -0.016 0.000 2.282 2031 R HA 0.018 4.347 4.340 -0.019 0.000 0.195 2031 R C 0.354 176.651 176.300 -0.005 0.000 0.909 2031 R CA 0.252 56.347 56.100 -0.009 0.000 1.039 2031 R CB -0.270 30.025 30.300 -0.008 0.000 1.015 2031 R HN -0.092 nan 8.270 nan 0.000 0.513 2032 T N 0.268 114.820 114.554 -0.003 0.000 2.817 2032 T HA 0.318 4.657 4.350 -0.019 0.000 0.295 2032 T C 0.098 174.800 174.700 0.004 0.000 0.958 2032 T CA -0.221 61.881 62.100 0.003 0.000 1.157 2032 T CB 1.145 70.017 68.868 0.008 0.000 0.898 2032 T HN 0.383 nan 8.240 nan 0.000 0.536 2033 K N 2.368 122.770 120.400 0.004 0.000 2.249 2033 K HA 0.668 4.976 4.320 -0.019 0.000 0.280 2033 K C 1.225 177.829 176.600 0.007 0.000 1.033 2033 K CA -0.196 56.093 56.287 0.004 0.000 0.946 2033 K CB -0.077 32.424 32.500 0.003 0.000 1.005 2033 K HN 1.967 nan 8.250 nan 0.000 0.469 2034 G N 0.710 109.515 108.800 0.008 0.000 2.562 2034 G HA2 -0.201 3.747 3.960 -0.019 0.000 0.250 2034 G HA3 -0.201 3.747 3.960 -0.019 0.000 0.250 2034 G C 0.510 175.419 174.900 0.015 0.000 1.269 2034 G CA -0.032 45.074 45.100 0.010 0.000 0.919 2034 G HN 1.390 nan 8.290 nan 0.000 0.574 2035 T N 0.578 115.142 114.554 0.016 0.000 2.866 2035 T HA 0.377 4.716 4.350 -0.019 0.000 0.293 2035 T C 0.467 175.181 174.700 0.023 0.000 1.005 2035 T CA 0.527 62.639 62.100 0.020 0.000 1.162 2035 T CB 0.840 69.718 68.868 0.016 0.000 0.968 2035 T HN 1.117 nan 8.240 nan 0.000 0.530 2036 V N 4.595 124.528 119.914 0.032 0.000 2.357 2036 V HA 0.324 4.433 4.120 -0.019 0.000 0.284 2036 V C 0.427 176.544 176.094 0.038 0.000 1.018 2036 V CA -0.770 61.554 62.300 0.039 0.000 0.841 2036 V CB 1.749 33.606 31.823 0.058 0.000 0.991 2036 V HN 0.941 nan 8.190 nan 0.000 0.437 2037 T N 6.976 121.547 114.554 0.028 0.000 2.743 2037 T HA 0.570 4.908 4.350 -0.019 0.000 0.292 2037 T C -0.216 174.496 174.700 0.020 0.000 0.972 2037 T CA -0.207 61.905 62.100 0.020 0.000 0.967 2037 T CB 0.492 69.366 68.868 0.011 0.000 0.926 2037 T HN 0.341 nan 8.240 nan 0.000 0.459 2038 L N 3.991 125.223 121.223 0.016 0.000 2.275 2038 L HA 0.549 4.877 4.340 -0.019 0.000 0.288 2038 L C 0.260 177.123 176.870 -0.012 0.000 1.046 2038 L CA -0.678 54.167 54.840 0.008 0.000 0.805 2038 L CB 1.393 43.451 42.059 -0.001 0.000 1.193 2038 L HN 0.508 nan 8.230 nan 0.000 0.426 2039 M N 5.880 125.473 119.600 -0.012 0.000 2.144 2039 M HA 0.559 5.028 4.480 -0.019 0.000 0.356 2039 M C -0.885 175.397 176.300 -0.029 0.000 1.217 2039 M CA -0.551 54.738 55.300 -0.019 0.000 1.087 2039 M CB 1.186 33.777 32.600 -0.015 0.000 1.609 2039 M HN 0.461 nan 8.290 nan 0.000 0.467 2040 V N 4.114 124.007 119.914 -0.035 0.000 2.962 2040 V HA 0.626 4.735 4.120 -0.019 0.000 0.313 2040 V C -1.275 174.801 176.094 -0.029 0.000 1.099 2040 V CA -0.980 61.294 62.300 -0.043 0.000 0.971 2040 V CB 2.109 33.890 31.823 -0.070 0.000 1.028 2040 V HN 0.921 nan 8.190 nan 0.000 0.430 2041 L N 3.406 124.617 121.223 -0.020 0.000 2.272 2041 L HA 0.695 5.024 4.340 -0.019 0.000 0.289 2041 L C 0.217 177.090 176.870 0.004 0.000 1.032 2041 L CA -0.004 54.834 54.840 -0.005 0.000 0.810 2041 L CB 1.530 43.593 42.059 0.007 0.000 1.205 2041 L HN 0.947 nan 8.230 nan 0.000 0.422 2042 S N 1.621 117.318 115.700 -0.004 0.000 2.542 2042 S HA 0.667 5.125 4.470 -0.019 0.000 0.293 2042 S C -0.329 174.268 174.600 -0.006 0.000 1.089 2042 S CA -0.602 57.593 58.200 -0.009 0.000 0.961 2042 S CB 1.787 64.971 63.200 -0.025 0.000 1.062 2042 S HN 0.636 nan 8.310 nan 0.000 0.483 2043 S N 2.789 118.483 115.700 -0.010 0.000 2.646 2043 S HA 0.399 4.857 4.470 -0.019 0.000 0.276 2043 S C 0.229 174.819 174.600 -0.017 0.000 1.222 2043 S CA -0.620 57.572 58.200 -0.012 0.000 1.014 2043 S CB 0.902 64.092 63.200 -0.017 0.000 0.991 2043 S HN 0.696 nan 8.310 nan 0.000 0.533 2044 D N 1.041 121.432 120.400 -0.015 0.000 2.178 2044 D HA -0.061 4.567 4.640 -0.019 0.000 0.201 2044 D C 1.007 177.296 176.300 -0.018 0.000 0.980 2044 D CA 1.122 55.113 54.000 -0.016 0.000 0.842 2044 D CB -0.181 40.611 40.800 -0.013 0.000 0.948 2044 D HN 0.884 nan 8.370 nan 0.000 0.472 2045 E N 0.159 120.346 120.200 -0.021 0.000 2.349 2045 E HA 0.264 4.602 4.350 -0.019 0.000 0.265 2045 E C -0.716 175.868 176.600 -0.028 0.000 1.064 2045 E CA -0.079 56.307 56.400 -0.023 0.000 0.886 2045 E CB 0.995 30.680 29.700 -0.025 0.000 1.036 2045 E HN -0.232 nan 8.360 nan 0.000 0.413 2046 T N 1.912 116.450 114.554 -0.027 0.000 2.881 2046 T HA 0.257 4.596 4.350 -0.019 0.000 0.290 2046 T C -0.753 173.929 174.700 -0.030 0.000 1.000 2046 T CA -0.732 61.349 62.100 -0.031 0.000 0.978 2046 T CB 1.645 70.497 68.868 -0.027 0.000 0.997 2046 T HN 0.443 nan 8.240 nan 0.000 0.443 2047 S N 2.165 117.843 115.700 -0.036 0.000 2.565 2047 S HA 0.579 5.038 4.470 -0.019 0.000 0.276 2047 S C 0.511 175.095 174.600 -0.027 0.000 1.326 2047 S CA -0.747 57.432 58.200 -0.034 0.000 1.045 2047 S CB 0.682 63.858 63.200 -0.041 0.000 0.918 2047 S HN 0.695 nan 8.310 nan 0.000 0.505 2048 V N 0.000 119.901 119.914 -0.021 0.000 2.409 2048 V HA 0.000 4.109 4.120 -0.019 0.000 0.244 2048 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 2048 V CB 0.000 31.816 31.823 -0.012 0.000 1.184 2048 V HN 0.000 nan 8.190 nan 0.000 0.556