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 1mzz_1_C DATA FIRST_RESID 2039 DATA SEQUENCE VDLSNLPRVK HTLVPPPFAH AHEQVAASGP VINEFEMRII EKEVQLDEDA DATA SEQUENCE YLQAMTFDGS IPGPLMIVHE GDYVELTLIN PPENTMPHNI DFHAATGALG DATA SEQUENCE GGGLTLINPG EKVVLRFKAT RAGAFVYHCA PGGPMIPWHV VSGTAGCIMV DATA SEQUENCE LPRDGLKDHE GKPVRYDTVY YIGESDHYIP KDEDGTYMRF SDPSEGYEDM DATA SEQUENCE VAVMDTLIPS HIVFNGAVGA LTGEGALKAK VGDNVLFVHS QPNRDSRPHL DATA SEQUENCE IGGHGDLVWE TGKFHNAPER DLETWFIRGG TAGAALYKFL QPGVYAYVNH DATA SEQUENCE NLIEAVHKGA TAHVLVEGEW DNDLMEQVVA PVGL 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 2039 V HA 0.000 nan 4.120 nan 0.000 0.244 2039 V C 0.000 176.078 176.094 -0.027 0.000 1.182 2039 V CA 0.000 62.303 62.300 0.005 0.000 1.235 2039 V CB 0.000 31.826 31.823 0.005 0.000 1.184 2040 D N -0.489 119.882 120.400 -0.048 0.000 5.061 2040 D HA -0.193 4.453 4.640 0.010 0.000 0.137 2040 D C 0.758 176.992 176.300 -0.110 0.000 0.623 2040 D CA 1.819 55.781 54.000 -0.064 0.000 1.160 2040 D CB -1.388 39.383 40.800 -0.049 0.000 0.787 2040 D HN 1.848 nan 8.370 nan 0.000 0.574 2041 L N -1.290 119.849 121.223 -0.139 0.000 5.174 2041 L HA -0.301 4.045 4.340 0.010 0.000 0.420 2041 L C 1.922 178.695 176.870 -0.161 0.000 0.973 2041 L CA 1.393 56.104 54.840 -0.215 0.000 1.381 2041 L CB -2.689 39.128 42.059 -0.402 0.000 1.819 2041 L HN 0.534 nan 8.230 nan 0.000 0.645 2042 S N -0.291 115.343 115.700 -0.110 0.000 2.420 2042 S HA -0.184 4.292 4.470 0.010 0.000 0.237 2042 S C 1.216 175.773 174.600 -0.072 0.000 1.023 2042 S CA 1.981 60.131 58.200 -0.082 0.000 0.991 2042 S CB -0.309 62.855 63.200 -0.061 0.000 0.792 2042 S HN 0.645 nan 8.310 nan 0.000 0.488 2043 N N 0.495 119.154 118.700 -0.068 0.000 2.422 2043 N HA 0.331 5.077 4.740 0.010 0.000 0.181 2043 N C -0.005 175.473 175.510 -0.054 0.000 1.080 2043 N CA 0.093 53.111 53.050 -0.053 0.000 0.893 2043 N CB -0.109 38.355 38.487 -0.039 0.000 0.973 2043 N HN 0.461 nan 8.380 nan 0.000 0.456 2044 L N 1.238 122.416 121.223 -0.074 0.000 2.436 2044 L HA 0.341 4.687 4.340 0.010 0.000 0.265 2044 L C -1.880 174.953 176.870 -0.061 0.000 1.168 2044 L CA -1.754 53.050 54.840 -0.059 0.000 0.815 2044 L CB 0.267 42.275 42.059 -0.084 0.000 1.109 2044 L HN -0.092 nan 8.230 nan 0.000 0.462 2045 P HA 0.237 nan 4.420 nan 0.000 0.272 2045 P C -1.074 176.188 177.300 -0.064 0.000 1.230 2045 P CA -0.322 62.748 63.100 -0.050 0.000 0.788 2045 P CB 0.544 32.222 31.700 -0.037 0.000 0.949 2046 R N 0.746 121.196 120.500 -0.084 0.000 2.393 2046 R HA 0.541 4.887 4.340 0.010 0.000 0.315 2046 R C -1.221 174.991 176.300 -0.146 0.000 0.952 2046 R CA -0.800 55.234 56.100 -0.110 0.000 0.842 2046 R CB 1.426 31.660 30.300 -0.110 0.000 1.163 2046 R HN 0.209 nan 8.270 nan 0.000 0.450 2047 V N 3.480 123.269 119.914 -0.208 0.000 2.409 2047 V HA 0.282 4.408 4.120 0.010 0.000 0.291 2047 V C -0.337 175.426 176.094 -0.552 0.000 1.020 2047 V CA -0.951 61.149 62.300 -0.333 0.000 0.848 2047 V CB 1.575 33.219 31.823 -0.298 0.000 0.990 2047 V HN 0.468 nan 8.190 nan 0.000 0.430 2048 K N 4.622 124.723 120.400 -0.497 0.000 2.234 2048 K HA 0.430 4.756 4.320 0.010 0.000 0.277 2048 K C -0.448 175.785 176.600 -0.613 0.000 1.038 2048 K CA -0.119 55.895 56.287 -0.455 0.000 0.888 2048 K CB 0.224 32.576 32.500 -0.246 0.000 1.091 2048 K HN 0.726 nan 8.250 nan 0.000 0.467 2049 H N 1.661 120.490 119.070 -0.402 0.000 2.595 2049 H HA 0.403 4.965 4.556 0.009 0.000 0.346 2049 H C -0.418 174.817 175.328 -0.154 0.000 1.181 2049 H CA -0.575 55.276 56.048 -0.329 0.000 1.242 2049 H CB 1.856 31.229 29.762 -0.648 0.000 1.652 2049 H HN 0.490 nan 8.280 nan 0.000 0.548 2050 T N 2.976 117.555 114.554 0.042 0.000 2.772 2050 T HA 0.302 4.658 4.350 0.010 0.000 0.288 2050 T C 0.746 175.538 174.700 0.154 0.000 0.994 2050 T CA -0.658 61.494 62.100 0.086 0.000 0.951 2050 T CB 0.348 69.262 68.868 0.077 0.000 0.933 2050 T HN 0.194 nan 8.240 nan 0.000 0.447 2051 L N 3.559 124.895 121.223 0.188 0.000 2.467 2051 L HA 0.500 4.846 4.340 0.010 0.000 0.270 2051 L C 0.501 177.505 176.870 0.224 0.000 1.205 2051 L CA -0.424 54.560 54.840 0.239 0.000 0.828 2051 L CB 0.427 42.619 42.059 0.222 0.000 1.101 2051 L HN 0.395 nan 8.230 nan 0.000 0.479 2052 V N -0.371 119.701 119.914 0.262 0.000 2.864 2052 V HA 0.619 4.745 4.120 0.010 0.000 0.314 2052 V C -2.580 173.657 176.094 0.238 0.000 1.073 2052 V CA -2.575 59.861 62.300 0.228 0.000 0.956 2052 V CB 1.356 33.321 31.823 0.237 0.000 1.023 2052 V HN 0.512 nan 8.190 nan 0.000 0.435 2053 P HA 0.284 nan 4.420 nan 0.000 0.268 2053 P C -2.625 174.836 177.300 0.268 0.000 1.205 2053 P CA -0.828 62.403 63.100 0.219 0.000 0.771 2053 P CB -0.151 31.667 31.700 0.196 0.000 0.858 2054 P HA 0.067 nan 4.420 nan 0.000 0.269 2054 P C -2.022 175.269 177.300 -0.015 0.000 1.215 2054 P CA -1.357 61.799 63.100 0.094 0.000 0.780 2054 P CB -0.143 31.569 31.700 0.019 0.000 0.898 2055 P HA 0.133 nan 4.420 nan 0.000 0.255 2055 P C -0.269 176.861 177.300 -0.283 0.000 1.357 2055 P CA 0.132 63.026 63.100 -0.342 0.000 0.839 2055 P CB -0.048 31.323 31.700 -0.549 0.000 1.356 2056 F N 1.354 121.404 119.950 0.167 0.000 2.380 2056 F HA 0.590 5.122 4.527 0.009 0.000 0.319 2056 F C 1.111 176.992 175.800 0.135 0.000 1.113 2056 F CA -0.893 57.210 58.000 0.171 0.000 1.056 2056 F CB 0.564 39.651 39.000 0.145 0.000 1.289 2056 F HN -0.135 nan 8.300 nan 0.000 0.515 2057 A N -0.220 122.774 122.820 0.289 0.000 2.374 2057 A HA 0.453 4.779 4.320 0.010 0.000 0.317 2057 A C -0.673 177.017 177.584 0.177 0.000 1.094 2057 A CA -0.722 51.391 52.037 0.125 0.000 0.765 2057 A CB 0.546 19.529 19.000 -0.028 0.000 1.268 2057 A HN 0.874 nan 8.150 nan 0.000 0.438 2058 H N 0.935 120.123 119.070 0.197 0.000 2.757 2058 H HA 0.499 5.061 4.556 0.010 0.000 0.370 2058 H C 0.463 175.985 175.328 0.325 0.000 1.172 2058 H CA 0.013 56.200 56.048 0.232 0.000 1.426 2058 H CB 0.615 30.516 29.762 0.233 0.000 1.438 2058 H HN 0.837 nan 8.280 nan 0.000 0.612 2059 A N 2.832 125.911 122.820 0.431 0.000 2.598 2059 A HA 0.105 4.431 4.320 0.010 0.000 0.239 2059 A C -0.212 177.642 177.584 0.451 0.000 1.032 2059 A CA 1.202 53.445 52.037 0.342 0.000 0.760 2059 A CB -1.041 18.101 19.000 0.237 0.000 0.946 2059 A HN 1.055 nan 8.150 nan 0.000 0.512 2060 H N -0.980 118.177 119.070 0.145 0.000 2.902 2060 H HA 0.790 5.352 4.556 0.010 0.000 0.297 2060 H C -1.062 174.334 175.328 0.114 0.000 1.406 2060 H CA -0.962 55.179 56.048 0.156 0.000 1.134 2060 H CB 0.743 30.535 29.762 0.050 0.000 1.833 2060 H HN 0.498 nan 8.280 nan 0.000 0.527 2061 E N -0.381 119.924 120.200 0.174 0.000 2.312 2061 E HA 0.210 4.566 4.350 0.010 0.000 0.267 2061 E C -0.005 176.728 176.600 0.221 0.000 0.894 2061 E CA -0.752 55.677 56.400 0.048 0.000 0.773 2061 E CB 2.751 32.484 29.700 0.056 0.000 1.241 2061 E HN 0.635 nan 8.360 nan 0.000 0.432 2062 Q N 0.126 119.953 119.800 0.044 0.000 2.137 2062 Q HA 0.062 4.408 4.340 0.010 0.000 0.198 2062 Q C 0.018 176.114 176.000 0.159 0.000 0.960 2062 Q CA 0.684 56.520 55.803 0.054 0.000 0.847 2062 Q CB 0.561 29.133 28.738 -0.277 0.000 0.915 2062 Q HN 0.214 nan 8.270 nan 0.000 0.448 2063 V N 1.521 121.447 119.914 0.020 0.000 2.370 2063 V HA 0.351 4.476 4.120 0.010 0.000 0.279 2063 V C -0.341 175.636 176.094 -0.195 0.000 1.029 2063 V CA -0.805 61.462 62.300 -0.055 0.000 0.870 2063 V CB 1.052 32.833 31.823 -0.071 0.000 0.984 2063 V HN 0.223 nan 8.190 nan 0.000 0.451 2064 A N 4.360 126.877 122.820 -0.505 0.000 2.563 2064 A HA 0.348 4.674 4.320 0.010 0.000 0.256 2064 A C 1.342 178.769 177.584 -0.263 0.000 1.056 2064 A CA 0.600 52.219 52.037 -0.697 0.000 0.775 2064 A CB 0.053 18.679 19.000 -0.623 0.000 0.973 2064 A HN 1.427 nan 8.150 nan 0.000 0.516 2065 A N 2.926 125.640 122.820 -0.176 0.000 2.291 2065 A HA 0.473 4.799 4.320 0.010 0.000 0.220 2065 A C 1.010 178.549 177.584 -0.075 0.000 1.262 2065 A CA 0.814 52.797 52.037 -0.091 0.000 0.867 2065 A CB -0.788 18.186 19.000 -0.043 0.000 0.888 2065 A HN 1.982 nan 8.150 nan 0.000 0.487 2066 S N -3.292 112.354 115.700 -0.090 0.000 2.655 2066 S HA 0.551 5.027 4.470 0.010 0.000 0.273 2066 S C 0.428 175.001 174.600 -0.045 0.000 1.177 2066 S CA -0.338 57.830 58.200 -0.053 0.000 0.918 2066 S CB -0.048 63.133 63.200 -0.033 0.000 1.217 2066 S HN 1.096 nan 8.310 nan 0.000 0.492 2067 G N 0.603 109.392 108.800 -0.018 0.000 2.631 2067 G HA2 0.546 4.512 3.960 0.010 0.000 0.271 2067 G HA3 0.546 4.512 3.960 0.010 0.000 0.271 2067 G C -2.832 172.080 174.900 0.021 0.000 1.302 2067 G CA -1.269 43.831 45.100 0.000 0.000 1.002 2067 G HN 0.604 nan 8.290 nan 0.000 0.519 2068 P HA 0.185 nan 4.420 nan 0.000 0.262 2068 P C 0.030 177.391 177.300 0.101 0.000 1.182 2068 P CA 0.022 63.179 63.100 0.095 0.000 0.761 2068 P CB 0.804 32.592 31.700 0.147 0.000 0.795 2069 V N 1.665 121.646 119.914 0.111 0.000 3.046 2069 V HA 0.565 4.691 4.120 0.010 0.000 0.316 2069 V C -0.297 175.865 176.094 0.114 0.000 1.104 2069 V CA -1.131 61.216 62.300 0.078 0.000 1.006 2069 V CB 2.090 33.942 31.823 0.049 0.000 1.058 2069 V HN 0.229 nan 8.190 nan 0.000 0.440 2070 I N 3.104 123.692 120.570 0.031 0.000 2.304 2070 I HA 0.352 4.528 4.170 0.010 0.000 0.291 2070 I C -0.067 176.022 176.117 -0.047 0.000 1.018 2070 I CA -0.181 61.125 61.300 0.010 0.000 1.260 2070 I CB 0.726 38.672 38.000 -0.089 0.000 1.390 2070 I HN 0.665 nan 8.210 nan 0.000 0.475 2071 N N 7.231 125.907 118.700 -0.039 0.000 2.422 2071 N HA 0.224 4.970 4.740 0.010 0.000 0.266 2071 N C -0.712 174.626 175.510 -0.287 0.000 1.007 2071 N CA -0.387 52.588 53.050 -0.124 0.000 0.941 2071 N CB 1.441 39.929 38.487 0.002 0.000 1.115 2071 N HN 0.563 nan 8.380 nan 0.000 0.492 2072 E N 2.074 122.033 120.200 -0.402 0.000 2.146 2072 E HA 0.353 4.709 4.350 0.010 0.000 0.282 2072 E C -0.849 175.493 176.600 -0.430 0.000 0.989 2072 E CA -0.198 56.019 56.400 -0.304 0.000 0.799 2072 E CB 0.967 30.540 29.700 -0.212 0.000 1.088 2072 E HN 0.348 nan 8.360 nan 0.000 0.397 2073 F N 1.149 121.101 119.950 0.002 0.000 2.593 2073 F HA 0.387 4.920 4.527 0.009 0.000 0.320 2073 F C 0.128 175.934 175.800 0.010 0.000 1.060 2073 F CA -0.870 57.136 58.000 0.010 0.000 0.940 2073 F CB 2.078 41.075 39.000 -0.006 0.000 1.268 2073 F HN 0.335 nan 8.300 nan 0.000 0.475 2074 E N 2.418 122.762 120.200 0.240 0.000 2.292 2074 E HA 0.672 5.028 4.350 0.010 0.000 0.272 2074 E C -1.704 174.984 176.600 0.147 0.000 0.881 2074 E CA -0.644 55.847 56.400 0.153 0.000 0.754 2074 E CB 1.830 31.588 29.700 0.098 0.000 1.201 2074 E HN 0.666 nan 8.360 nan 0.000 0.425 2075 M N 2.741 122.419 119.600 0.130 0.000 2.484 2075 M HA 0.482 4.967 4.480 0.010 0.000 0.289 2075 M C -0.778 175.609 176.300 0.145 0.000 1.206 2075 M CA -0.722 54.663 55.300 0.140 0.000 0.892 2075 M CB 2.704 35.390 32.600 0.143 0.000 1.712 2075 M HN 0.378 nan 8.290 nan 0.000 0.462 2076 R N 0.918 121.499 120.500 0.135 0.000 2.668 2076 R HA 0.722 5.068 4.340 0.010 0.000 0.279 2076 R C -1.085 175.263 176.300 0.081 0.000 0.976 2076 R CA -0.783 55.377 56.100 0.100 0.000 0.978 2076 R CB 1.659 31.998 30.300 0.065 0.000 1.133 2076 R HN 0.487 nan 8.270 nan 0.000 0.484 2077 I N 2.610 123.174 120.570 -0.010 0.000 2.428 2077 I HA 0.178 4.354 4.170 0.010 0.000 0.289 2077 I C -0.313 175.709 176.117 -0.158 0.000 1.019 2077 I CA 0.132 61.316 61.300 -0.194 0.000 1.351 2077 I CB 0.897 38.609 38.000 -0.479 0.000 1.412 2077 I HN 0.274 nan 8.210 nan 0.000 0.513 2078 I N 6.047 126.514 120.570 -0.172 0.000 2.439 2078 I HA 0.316 4.492 4.170 0.010 0.000 0.285 2078 I C -0.053 175.983 176.117 -0.135 0.000 1.021 2078 I CA -0.638 60.599 61.300 -0.106 0.000 1.091 2078 I CB 1.214 39.185 38.000 -0.049 0.000 1.242 2078 I HN 0.606 nan 8.210 nan 0.000 0.439 2079 E N 6.839 126.977 120.200 -0.103 0.000 2.301 2079 E HA 0.584 4.940 4.350 0.010 0.000 0.275 2079 E C -0.466 176.103 176.600 -0.052 0.000 1.030 2079 E CA -0.595 55.751 56.400 -0.090 0.000 0.852 2079 E CB 1.529 31.211 29.700 -0.029 0.000 1.060 2079 E HN 0.544 nan 8.360 nan 0.000 0.401 2080 K N 0.773 121.144 120.400 -0.049 0.000 2.685 2080 K HA 0.281 4.606 4.320 0.010 0.000 0.290 2080 K C -1.300 175.291 176.600 -0.015 0.000 1.018 2080 K CA -0.963 55.312 56.287 -0.020 0.000 0.860 2080 K CB 1.154 33.643 32.500 -0.017 0.000 1.498 2080 K HN 0.397 nan 8.250 nan 0.000 0.390 2081 E N 1.418 121.627 120.200 0.015 0.000 2.301 2081 E HA 0.381 4.737 4.350 0.010 0.000 0.275 2081 E C -0.663 175.965 176.600 0.046 0.000 1.030 2081 E CA -0.869 55.557 56.400 0.043 0.000 0.852 2081 E CB 1.428 31.167 29.700 0.065 0.000 1.060 2081 E HN 0.490 nan 8.360 nan 0.000 0.401 2082 V N 0.891 120.823 119.914 0.030 0.000 3.102 2082 V HA 0.468 4.594 4.120 0.010 0.000 0.312 2082 V C -0.963 175.094 176.094 -0.061 0.000 1.135 2082 V CA -1.040 61.246 62.300 -0.023 0.000 1.022 2082 V CB 1.707 33.467 31.823 -0.105 0.000 1.056 2082 V HN 0.792 nan 8.190 nan 0.000 0.436 2083 Q N 1.165 120.854 119.800 -0.184 0.000 2.372 2083 Q HA 0.538 4.884 4.340 0.010 0.000 0.259 2083 Q C -0.084 175.653 176.000 -0.437 0.000 0.993 2083 Q CA -0.583 54.930 55.803 -0.484 0.000 0.854 2083 Q CB 1.707 30.130 28.738 -0.525 0.000 1.231 2083 Q HN 0.909 nan 8.270 nan 0.000 0.462 2084 L N 2.292 123.195 121.223 -0.534 0.000 2.240 2084 L HA 0.135 4.481 4.340 0.010 0.000 0.211 2084 L C 0.553 177.164 176.870 -0.432 0.000 1.106 2084 L CA 0.786 55.323 54.840 -0.505 0.000 0.793 2084 L CB 0.146 41.769 42.059 -0.727 0.000 0.927 2084 L HN 0.672 nan 8.230 nan 0.000 0.446 2085 D N -2.866 117.259 120.400 -0.459 0.000 2.713 2085 D HA 0.073 4.719 4.640 0.010 0.000 0.306 2085 D C 0.296 176.428 176.300 -0.281 0.000 1.299 2085 D CA -0.414 53.415 54.000 -0.285 0.000 0.823 2085 D CB 0.971 41.668 40.800 -0.171 0.000 1.353 2085 D HN -0.324 nan 8.370 nan 0.000 0.447 2086 E N -0.098 120.015 120.200 -0.145 0.000 2.171 2086 E HA -0.073 4.283 4.350 0.010 0.000 0.197 2086 E C 0.317 176.869 176.600 -0.081 0.000 0.997 2086 E CA 1.609 57.951 56.400 -0.097 0.000 0.810 2086 E CB -0.054 29.624 29.700 -0.036 0.000 0.738 2086 E HN 0.479 nan 8.360 nan 0.000 0.467 2087 D N -1.840 118.533 120.400 -0.044 0.000 2.740 2087 D HA 0.371 5.017 4.640 0.010 0.000 0.301 2087 D C -0.599 175.751 176.300 0.083 0.000 1.408 2087 D CA -0.327 53.720 54.000 0.079 0.000 0.808 2087 D CB -0.069 40.829 40.800 0.164 0.000 1.128 2087 D HN 0.013 nan 8.370 nan 0.000 0.465 2088 A N 0.237 122.905 122.820 -0.254 0.000 2.427 2088 A HA 0.658 4.983 4.320 0.010 0.000 0.298 2088 A C -1.773 175.458 177.584 -0.588 0.000 1.036 2088 A CA -0.702 51.121 52.037 -0.357 0.000 0.701 2088 A CB 1.471 19.998 19.000 -0.789 0.000 1.250 2088 A HN 0.093 nan 8.150 nan 0.000 0.412 2089 Y N 0.539 120.710 120.300 -0.217 0.000 2.570 2089 Y HA 0.763 5.320 4.550 0.011 0.000 0.345 2089 Y C -0.341 175.472 175.900 -0.144 0.000 1.014 2089 Y CA -1.077 56.922 58.100 -0.168 0.000 1.063 2089 Y CB 2.261 40.676 38.460 -0.076 0.000 1.272 2089 Y HN 0.712 nan 8.280 nan 0.000 0.477 2090 L N 1.513 122.739 121.223 0.005 0.000 2.431 2090 L HA 0.506 4.852 4.340 0.010 0.000 0.266 2090 L C -1.148 175.742 176.870 0.032 0.000 0.978 2090 L CA -0.879 53.956 54.840 -0.008 0.000 0.822 2090 L CB 2.140 44.073 42.059 -0.209 0.000 1.310 2090 L HN 0.493 nan 8.230 nan 0.000 0.409 2091 Q N 3.788 123.639 119.800 0.085 0.000 2.513 2091 Q HA 0.443 4.789 4.340 0.010 0.000 0.227 2091 Q C -0.223 175.741 176.000 -0.060 0.000 1.257 2091 Q CA 0.139 55.974 55.803 0.053 0.000 0.915 2091 Q CB 0.586 29.401 28.738 0.129 0.000 1.507 2091 Q HN 0.740 nan 8.270 nan 0.000 0.543 2092 A N 3.153 125.919 122.820 -0.090 0.000 2.271 2092 A HA 0.735 5.061 4.320 0.010 0.000 0.288 2092 A C -0.076 177.397 177.584 -0.185 0.000 1.094 2092 A CA -0.366 51.579 52.037 -0.153 0.000 0.828 2092 A CB 0.733 19.648 19.000 -0.141 0.000 1.091 2092 A HN 0.686 nan 8.150 nan 0.000 0.493 2093 M N 1.571 121.029 119.600 -0.237 0.000 2.204 2093 M HA 0.408 4.894 4.480 0.010 0.000 0.293 2093 M C -0.454 175.671 176.300 -0.291 0.000 0.994 2093 M CA -0.236 54.894 55.300 -0.284 0.000 0.925 2093 M CB 2.483 34.882 32.600 -0.336 0.000 1.577 2093 M HN 0.864 nan 8.290 nan 0.000 0.439 2094 T N -0.820 113.556 114.554 -0.296 0.000 2.906 2094 T HA 0.714 5.069 4.350 0.010 0.000 0.295 2094 T C -0.873 173.672 174.700 -0.259 0.000 1.061 2094 T CA -0.696 61.276 62.100 -0.214 0.000 1.000 2094 T CB 1.209 70.031 68.868 -0.077 0.000 1.103 2094 T HN 0.289 nan 8.240 nan 0.000 0.486 2095 F N 1.939 121.898 119.950 0.014 0.000 2.390 2095 F HA 0.399 4.933 4.527 0.012 0.000 0.361 2095 F C 0.856 176.693 175.800 0.062 0.000 1.124 2095 F CA -0.102 57.932 58.000 0.056 0.000 1.149 2095 F CB 0.332 39.435 39.000 0.172 0.000 1.160 2095 F HN 0.746 nan 8.300 nan 0.000 0.501 2096 D N 2.233 122.754 120.400 0.203 0.000 3.077 2096 D HA -0.177 4.469 4.640 0.010 0.000 0.212 2096 D C 1.300 177.660 176.300 0.100 0.000 1.125 2096 D CA 1.686 55.774 54.000 0.147 0.000 0.970 2096 D CB -1.193 39.710 40.800 0.171 0.000 1.110 2096 D HN 0.958 nan 8.370 nan 0.000 0.419 2097 G N -1.586 107.251 108.800 0.063 0.000 2.213 2097 G HA2 -0.161 3.805 3.960 0.010 0.000 0.226 2097 G HA3 -0.161 3.805 3.960 0.010 0.000 0.226 2097 G C 0.241 175.164 174.900 0.038 0.000 0.992 2097 G CA 0.818 45.941 45.100 0.039 0.000 0.632 2097 G HN 1.347 nan 8.290 nan 0.000 0.511 2098 S N -0.570 115.171 115.700 0.068 0.000 2.634 2098 S HA 0.850 5.326 4.470 0.010 0.000 0.296 2098 S C -0.659 173.977 174.600 0.061 0.000 1.104 2098 S CA -0.937 57.298 58.200 0.058 0.000 0.920 2098 S CB 2.666 65.918 63.200 0.086 0.000 1.111 2098 S HN 0.664 nan 8.310 nan 0.000 0.493 2099 I N 2.437 123.025 120.570 0.029 0.000 2.410 2099 I HA 0.418 4.594 4.170 0.010 0.000 0.286 2099 I C -2.364 173.751 176.117 -0.002 0.000 1.009 2099 I CA -2.460 58.859 61.300 0.033 0.000 1.111 2099 I CB 2.507 40.518 38.000 0.018 0.000 1.262 2099 I HN 0.503 nan 8.210 nan 0.000 0.443 2100 P HA 0.158 nan 4.420 nan 0.000 0.279 2100 P C 0.171 177.549 177.300 0.131 0.000 1.282 2100 P CA -0.184 62.942 63.100 0.044 0.000 0.788 2100 P CB 0.548 32.254 31.700 0.010 0.000 1.139 2101 G N 0.182 109.090 108.800 0.180 0.000 2.699 2101 G HA2 0.294 4.260 3.960 0.010 0.000 0.246 2101 G HA3 0.294 4.260 3.960 0.010 0.000 0.246 2101 G C -2.289 172.767 174.900 0.259 0.000 1.219 2101 G CA -0.852 44.406 45.100 0.264 0.000 0.866 2101 G HN 0.398 nan 8.290 nan 0.000 0.572 2102 P HA 0.125 nan 4.420 nan 0.000 0.272 2102 P C -0.415 176.988 177.300 0.173 0.000 1.240 2102 P CA -0.592 62.655 63.100 0.245 0.000 0.791 2102 P CB 0.910 32.737 31.700 0.211 0.000 0.978 2103 L N 2.192 123.474 121.223 0.098 0.000 2.290 2103 L HA 0.311 4.657 4.340 0.010 0.000 0.284 2103 L C 0.041 176.886 176.870 -0.043 0.000 1.078 2103 L CA 0.000 54.758 54.840 -0.136 0.000 0.815 2103 L CB -0.229 41.717 42.059 -0.190 0.000 1.162 2103 L HN 0.297 nan 8.230 nan 0.000 0.435 2104 M N 6.108 125.626 119.600 -0.136 0.000 2.318 2104 M HA 0.469 4.955 4.480 0.010 0.000 0.347 2104 M C -0.802 175.431 176.300 -0.112 0.000 1.175 2104 M CA -0.083 55.076 55.300 -0.236 0.000 1.075 2104 M CB 1.460 33.615 32.600 -0.743 0.000 1.614 2104 M HN 0.441 nan 8.290 nan 0.000 0.456 2105 I N 3.476 124.102 120.570 0.092 0.000 2.478 2105 I HA 0.586 4.762 4.170 0.010 0.000 0.287 2105 I C -0.654 175.451 176.117 -0.019 0.000 1.042 2105 I CA -0.825 60.387 61.300 -0.147 0.000 1.067 2105 I CB 1.763 39.445 38.000 -0.530 0.000 1.233 2105 I HN 0.534 nan 8.210 nan 0.000 0.431 2106 V N 1.972 121.838 119.914 -0.079 0.000 3.165 2106 V HA 0.625 4.751 4.120 0.010 0.000 0.309 2106 V C -1.316 174.659 176.094 -0.199 0.000 1.267 2106 V CA -0.768 61.508 62.300 -0.039 0.000 1.067 2106 V CB 2.204 34.064 31.823 0.062 0.000 1.082 2106 V HN 0.668 nan 8.190 nan 0.000 0.451 2107 H N -0.227 118.883 119.070 0.067 0.000 2.621 2107 H HA 0.576 5.138 4.556 0.010 0.000 0.360 2107 H C -0.280 175.073 175.328 0.042 0.000 1.163 2107 H CA -0.200 55.883 56.048 0.059 0.000 1.194 2107 H CB 1.645 31.439 29.762 0.053 0.000 1.649 2107 H HN 0.951 nan 8.280 nan 0.000 0.532 2108 E N 0.993 121.297 120.200 0.174 0.000 2.452 2108 E HA 0.094 4.450 4.350 0.010 0.000 0.261 2108 E C 0.709 177.353 176.600 0.073 0.000 0.987 2108 E CA 1.088 57.561 56.400 0.122 0.000 0.926 2108 E CB 0.104 29.912 29.700 0.180 0.000 0.934 2108 E HN 0.928 nan 8.360 nan 0.000 0.452 2109 G N 3.876 112.665 108.800 -0.018 0.000 2.253 2109 G HA2 -0.250 3.716 3.960 0.010 0.000 0.251 2109 G HA3 -0.250 3.716 3.960 0.010 0.000 0.251 2109 G C 0.127 174.936 174.900 -0.151 0.000 0.998 2109 G CA 0.287 45.335 45.100 -0.085 0.000 0.621 2109 G HN 0.656 nan 8.290 nan 0.000 0.524 2110 D N -0.349 120.018 120.400 -0.055 0.000 2.372 2110 D HA 0.524 5.170 4.640 0.010 0.000 0.243 2110 D C 0.462 176.611 176.300 -0.252 0.000 1.297 2110 D CA 0.315 54.299 54.000 -0.028 0.000 0.958 2110 D CB 0.183 41.014 40.800 0.051 0.000 1.114 2110 D HN 0.253 nan 8.370 nan 0.000 0.496 2111 Y N -1.302 118.930 120.300 -0.112 0.000 2.587 2111 Y HA 0.521 5.076 4.550 0.009 0.000 0.337 2111 Y C 0.049 175.763 175.900 -0.309 0.000 1.065 2111 Y CA -0.953 57.013 58.100 -0.224 0.000 1.126 2111 Y CB 1.460 39.823 38.460 -0.161 0.000 1.279 2111 Y HN -0.105 nan 8.280 nan 0.000 0.489 2112 V N 1.381 121.054 119.914 -0.403 0.000 2.483 2112 V HA 0.343 4.469 4.120 0.010 0.000 0.297 2112 V C -0.977 174.902 176.094 -0.358 0.000 1.027 2112 V CA -0.963 61.042 62.300 -0.493 0.000 0.855 2112 V CB 1.614 32.621 31.823 -1.359 0.000 0.995 2112 V HN 0.758 nan 8.190 nan 0.000 0.424 2113 E N 4.397 124.536 120.200 -0.101 0.000 2.182 2113 E HA 0.578 4.934 4.350 0.010 0.000 0.258 2113 E C -1.588 175.042 176.600 0.050 0.000 0.879 2113 E CA -0.696 55.681 56.400 -0.040 0.000 0.754 2113 E CB 1.701 31.371 29.700 -0.050 0.000 1.162 2113 E HN 0.560 nan 8.360 nan 0.000 0.419 2114 L N 3.816 125.093 121.223 0.090 0.000 2.329 2114 L HA 0.529 4.875 4.340 0.010 0.000 0.279 2114 L C -0.865 176.082 176.870 0.130 0.000 1.014 2114 L CA -0.075 54.863 54.840 0.163 0.000 0.814 2114 L CB 2.019 44.209 42.059 0.217 0.000 1.257 2114 L HN 0.408 nan 8.230 nan 0.000 0.424 2115 T N 6.293 120.918 114.554 0.118 0.000 2.733 2115 T HA 0.515 4.871 4.350 0.010 0.000 0.294 2115 T C -0.659 174.106 174.700 0.109 0.000 0.956 2115 T CA -0.073 62.083 62.100 0.094 0.000 0.987 2115 T CB 0.589 69.498 68.868 0.069 0.000 0.920 2115 T HN 0.542 nan 8.240 nan 0.000 0.470 2116 L N 5.517 126.807 121.223 0.112 0.000 2.329 2116 L HA 0.735 5.081 4.340 0.010 0.000 0.279 2116 L C -1.189 175.746 176.870 0.109 0.000 1.014 2116 L CA -0.502 54.413 54.840 0.125 0.000 0.814 2116 L CB 0.905 43.052 42.059 0.147 0.000 1.257 2116 L HN 0.602 nan 8.230 nan 0.000 0.424 2117 I N 4.113 124.746 120.570 0.106 0.000 2.509 2117 I HA 0.404 4.580 4.170 0.010 0.000 0.293 2117 I C -0.745 175.422 176.117 0.084 0.000 1.020 2117 I CA -0.653 60.698 61.300 0.086 0.000 1.088 2117 I CB 1.961 40.005 38.000 0.074 0.000 1.267 2117 I HN 0.574 nan 8.210 nan 0.000 0.430 2118 N N 7.651 126.402 118.700 0.084 0.000 2.626 2118 N HA 0.390 5.136 4.740 0.010 0.000 0.242 2118 N C -2.734 172.820 175.510 0.074 0.000 1.005 2118 N CA -2.147 50.960 53.050 0.095 0.000 0.905 2118 N CB 1.312 39.880 38.487 0.135 0.000 1.128 2118 N HN 0.155 nan 8.380 nan 0.000 0.512 2119 P HA 0.141 nan 4.420 nan 0.000 0.269 2119 P C -1.937 175.392 177.300 0.048 0.000 1.215 2119 P CA -0.914 62.214 63.100 0.046 0.000 0.780 2119 P CB 0.469 32.190 31.700 0.035 0.000 0.898 2120 P HA -0.163 nan 4.420 nan 0.000 0.225 2120 P C 1.030 178.352 177.300 0.037 0.000 1.148 2120 P CA 1.397 64.520 63.100 0.038 0.000 0.779 2120 P CB -0.013 31.705 31.700 0.030 0.000 0.780 2121 E N -0.837 119.384 120.200 0.035 0.000 2.435 2121 E HA -0.019 4.336 4.350 0.010 0.000 0.195 2121 E C 0.329 176.953 176.600 0.040 0.000 1.029 2121 E CA 0.096 56.516 56.400 0.033 0.000 0.865 2121 E CB -0.689 29.026 29.700 0.026 0.000 0.833 2121 E HN 0.144 nan 8.360 nan 0.000 0.510 2122 N N 1.559 120.291 118.700 0.053 0.000 2.326 2122 N HA 0.008 4.754 4.740 0.010 0.000 0.239 2122 N C 0.976 176.531 175.510 0.075 0.000 1.301 2122 N CA 1.173 54.270 53.050 0.078 0.000 0.909 2122 N CB 1.074 39.635 38.487 0.124 0.000 1.156 2122 N HN 0.277 nan 8.380 nan 0.000 0.462 2123 T N -3.489 111.115 114.554 0.084 0.000 2.971 2123 T HA 0.355 4.711 4.350 0.010 0.000 0.252 2123 T C 0.785 175.510 174.700 0.041 0.000 1.022 2123 T CA 0.158 62.292 62.100 0.058 0.000 0.980 2123 T CB 0.397 69.299 68.868 0.057 0.000 1.044 2123 T HN 0.289 nan 8.240 nan 0.000 0.501 2124 M N 1.086 120.702 119.600 0.028 0.000 2.716 2124 M HA 0.562 5.048 4.480 0.010 0.000 0.307 2124 M C -2.900 173.256 176.300 -0.241 0.000 1.223 2124 M CA -2.534 52.712 55.300 -0.090 0.000 0.871 2124 M CB 2.297 34.815 32.600 -0.138 0.000 1.739 2124 M HN -0.234 nan 8.290 nan 0.000 0.475 2125 P HA 0.221 nan 4.420 nan 0.000 0.274 2125 P C -1.357 175.666 177.300 -0.461 0.000 1.231 2125 P CA 0.054 63.036 63.100 -0.197 0.000 0.790 2125 P CB 0.571 32.204 31.700 -0.112 0.000 0.951 2126 H N 0.887 119.977 119.070 0.033 0.000 2.977 2126 H HA 0.484 5.045 4.556 0.008 0.000 0.350 2126 H C -0.192 175.153 175.328 0.028 0.000 1.238 2126 H CA -0.323 55.740 56.048 0.025 0.000 1.124 2126 H CB 2.243 32.013 29.762 0.014 0.000 1.866 2126 H HN 0.531 nan 8.280 nan 0.000 0.550 2127 N N 0.353 119.155 118.700 0.170 0.000 3.449 2127 N HA 0.368 5.114 4.740 0.010 0.000 0.312 2127 N C -1.481 174.132 175.510 0.172 0.000 1.582 2127 N CA -0.652 52.475 53.050 0.129 0.000 0.850 2127 N CB 1.995 40.520 38.487 0.064 0.000 1.822 2127 N HN 0.636 nan 8.380 nan 0.000 0.577 2128 I N -0.708 119.919 120.570 0.095 0.000 2.692 2128 I HA 0.363 4.539 4.170 0.010 0.000 0.293 2128 I C -1.897 174.145 176.117 -0.124 0.000 1.200 2128 I CA -0.510 60.789 61.300 -0.001 0.000 1.036 2128 I CB 2.081 39.996 38.000 -0.141 0.000 1.258 2128 I HN 0.609 nan 8.210 nan 0.000 0.421 2129 D N 6.998 127.237 120.400 -0.268 0.000 2.440 2129 D HA 0.330 4.975 4.640 0.010 0.000 0.239 2129 D C -1.527 174.575 176.300 -0.330 0.000 1.084 2129 D CA -0.070 53.774 54.000 -0.259 0.000 0.843 2129 D CB 0.800 41.382 40.800 -0.363 0.000 1.097 2129 D HN 0.221 nan 8.370 nan 0.000 0.531 2130 F N 2.772 122.589 119.950 -0.221 0.000 2.404 2130 F HA 0.238 4.771 4.527 0.010 0.000 0.358 2130 F C 1.878 177.584 175.800 -0.156 0.000 1.120 2130 F CA -0.406 57.445 58.000 -0.247 0.000 1.144 2130 F CB 1.092 39.721 39.000 -0.619 0.000 1.133 2130 F HN 0.518 nan 8.300 nan 0.000 0.495 2131 H N 2.014 121.092 119.070 0.015 0.000 2.546 2131 H HA -0.023 4.539 4.556 0.010 0.000 0.277 2131 H C 1.799 176.969 175.328 -0.263 0.000 1.004 2131 H CA 0.444 56.506 56.048 0.023 0.000 1.231 2131 H CB 0.504 30.426 29.762 0.267 0.000 1.382 2131 H HN 0.749 nan 8.280 nan 0.000 0.580 2132 A N 0.885 123.460 122.820 -0.408 0.000 2.206 2132 A HA 0.295 4.621 4.320 0.010 0.000 0.211 2132 A C 1.250 178.382 177.584 -0.755 0.000 1.158 2132 A CA 0.486 51.760 52.037 -1.272 0.000 0.761 2132 A CB -0.014 18.505 19.000 -0.802 0.000 0.801 2132 A HN 0.303 nan 8.150 nan 0.000 0.473 2133 A N -0.952 121.433 122.820 -0.724 0.000 2.311 2133 A HA 0.651 4.977 4.320 0.010 0.000 0.334 2133 A C -0.091 177.283 177.584 -0.350 0.000 1.139 2133 A CA -0.316 51.239 52.037 -0.803 0.000 0.830 2133 A CB 0.647 18.827 19.000 -1.368 0.000 1.234 2133 A HN 0.123 nan 8.150 nan 0.000 0.483 2134 T N 0.835 115.272 114.554 -0.194 0.000 2.770 2134 T HA 0.675 5.031 4.350 0.010 0.000 0.283 2134 T C 0.195 174.856 174.700 -0.066 0.000 0.988 2134 T CA 0.631 62.673 62.100 -0.098 0.000 0.957 2134 T CB 0.844 69.683 68.868 -0.049 0.000 0.930 2134 T HN 2.178 nan 8.240 nan 0.000 0.443 2135 G N 2.008 110.776 108.800 -0.053 0.000 2.570 2135 G HA2 0.404 4.370 3.960 0.010 0.000 0.686 2135 G HA3 0.404 4.370 3.960 0.010 0.000 0.686 2135 G C 0.095 174.979 174.900 -0.028 0.000 1.257 2135 G CA -0.393 44.691 45.100 -0.027 0.000 0.846 2135 G HN 1.724 nan 8.290 nan 0.000 0.627 2136 A N -0.471 122.344 122.820 -0.009 0.000 2.261 2136 A HA 0.107 4.433 4.320 0.010 0.000 0.282 2136 A C 1.475 179.056 177.584 -0.005 0.000 1.403 2136 A CA 1.715 53.752 52.037 0.000 0.000 0.753 2136 A CB -1.800 17.207 19.000 0.012 0.000 1.125 2136 A HN 2.490 nan 8.150 nan 0.000 0.358 2137 L N -2.713 118.504 121.223 -0.009 0.000 3.833 2137 L HA -0.299 4.047 4.340 0.010 0.000 0.447 2137 L C 1.670 178.526 176.870 -0.024 0.000 1.213 2137 L CA 0.892 55.726 54.840 -0.010 0.000 0.801 2137 L CB -2.080 39.982 42.059 0.005 0.000 1.676 2137 L HN 2.309 nan 8.230 nan 0.000 0.883 2138 G N -1.671 107.097 108.800 -0.052 0.000 2.189 2138 G HA2 -0.017 3.949 3.960 0.010 0.000 0.267 2138 G HA3 -0.017 3.949 3.960 0.010 0.000 0.267 2138 G C 1.119 175.984 174.900 -0.059 0.000 0.975 2138 G CA 0.685 45.735 45.100 -0.084 0.000 0.644 2138 G HN 1.851 nan 8.290 nan 0.000 0.537 2139 G N -1.830 106.960 108.800 -0.017 0.000 2.231 2139 G HA2 0.137 4.102 3.960 0.010 0.000 0.206 2139 G HA3 0.137 4.102 3.960 0.010 0.000 0.206 2139 G C 1.888 176.814 174.900 0.043 0.000 0.996 2139 G CA 1.059 46.186 45.100 0.044 0.000 0.645 2139 G HN 1.820 nan 8.290 nan 0.000 0.498 2140 G N 0.846 109.652 108.800 0.010 0.000 2.432 2140 G HA2 0.227 4.193 3.960 0.010 0.000 0.219 2140 G HA3 0.227 4.193 3.960 0.010 0.000 0.219 2140 G C 1.670 176.584 174.900 0.023 0.000 1.135 2140 G CA 1.719 46.826 45.100 0.011 0.000 0.767 2140 G HN 1.461 nan 8.290 nan 0.000 0.550 2141 G N -0.031 108.781 108.800 0.020 0.000 2.679 2141 G HA2 0.134 4.099 3.960 0.010 0.000 0.212 2141 G HA3 0.134 4.099 3.960 0.010 0.000 0.212 2141 G C 1.300 176.217 174.900 0.028 0.000 1.137 2141 G CA 0.137 45.248 45.100 0.020 0.000 0.787 2141 G HN 0.438 nan 8.290 nan 0.000 0.534 2142 L N 0.518 121.765 121.223 0.040 0.000 2.858 2142 L HA 0.204 4.550 4.340 0.010 0.000 0.251 2142 L C 1.514 178.420 176.870 0.059 0.000 1.149 2142 L CA 0.637 55.506 54.840 0.048 0.000 0.955 2142 L CB 0.789 42.882 42.059 0.056 0.000 1.289 2142 L HN 0.240 nan 8.230 nan 0.000 0.542 2143 T N -3.292 111.300 114.554 0.063 0.000 3.231 2143 T HA 0.228 4.584 4.350 0.010 0.000 0.292 2143 T C -0.051 174.692 174.700 0.072 0.000 1.001 2143 T CA -0.282 61.866 62.100 0.079 0.000 0.920 2143 T CB 0.194 69.124 68.868 0.104 0.000 1.140 2143 T HN -0.068 nan 8.240 nan 0.000 0.525 2144 L N 3.711 124.965 121.223 0.050 0.000 2.418 2144 L HA 0.574 4.920 4.340 0.010 0.000 0.274 2144 L C -0.305 176.591 176.870 0.044 0.000 1.135 2144 L CA -0.611 54.252 54.840 0.038 0.000 0.870 2144 L CB 0.056 42.124 42.059 0.015 0.000 1.154 2144 L HN 0.454 nan 8.230 nan 0.000 0.462 2145 I N 1.865 122.469 120.570 0.055 0.000 2.582 2145 I HA 0.558 4.733 4.170 0.010 0.000 0.292 2145 I C -0.655 175.495 176.117 0.054 0.000 1.066 2145 I CA -0.940 60.396 61.300 0.060 0.000 1.053 2145 I CB 1.849 39.897 38.000 0.081 0.000 1.241 2145 I HN 0.392 nan 8.210 nan 0.000 0.421 2146 N N 4.737 123.462 118.700 0.041 0.000 2.476 2146 N HA 0.464 5.210 4.740 0.010 0.000 0.275 2146 N C -2.578 172.965 175.510 0.055 0.000 1.190 2146 N CA -1.606 51.464 53.050 0.034 0.000 0.977 2146 N CB 0.853 39.353 38.487 0.022 0.000 1.200 2146 N HN 0.395 nan 8.380 nan 0.000 0.515 2147 P HA 0.006 nan 4.420 nan 0.000 0.263 2147 P C 0.533 177.863 177.300 0.049 0.000 1.175 2147 P CA 1.029 64.168 63.100 0.066 0.000 0.761 2147 P CB 0.267 32.001 31.700 0.057 0.000 0.794 2148 G N 1.209 110.039 108.800 0.050 0.000 2.136 2148 G HA2 -0.218 3.747 3.960 0.010 0.000 0.242 2148 G HA3 -0.218 3.747 3.960 0.010 0.000 0.242 2148 G C -0.144 174.781 174.900 0.042 0.000 0.989 2148 G CA -0.217 44.907 45.100 0.041 0.000 0.682 2148 G HN 0.554 nan 8.290 nan 0.000 0.522 2149 E N -0.465 119.765 120.200 0.050 0.000 2.359 2149 E HA 0.651 5.006 4.350 0.010 0.000 0.266 2149 E C 0.008 176.642 176.600 0.057 0.000 0.920 2149 E CA -0.993 55.435 56.400 0.048 0.000 0.788 2149 E CB 1.660 31.387 29.700 0.046 0.000 1.279 2149 E HN 0.452 nan 8.360 nan 0.000 0.438 2150 K N -0.601 119.831 120.400 0.053 0.000 2.395 2150 K HA 0.821 5.147 4.320 0.010 0.000 0.245 2150 K C -1.296 175.341 176.600 0.061 0.000 1.017 2150 K CA -0.897 55.427 56.287 0.062 0.000 0.852 2150 K CB 2.287 34.820 32.500 0.055 0.000 1.311 2150 K HN 0.266 nan 8.250 nan 0.000 0.452 2151 V N 0.361 120.317 119.914 0.070 0.000 3.087 2151 V HA 0.534 4.660 4.120 0.010 0.000 0.306 2151 V C -1.920 174.218 176.094 0.074 0.000 1.187 2151 V CA -0.680 61.661 62.300 0.068 0.000 0.999 2151 V CB 2.400 34.267 31.823 0.075 0.000 1.049 2151 V HN 0.622 nan 8.190 nan 0.000 0.431 2152 V N 6.091 126.044 119.914 0.066 0.000 2.443 2152 V HA 0.557 4.683 4.120 0.010 0.000 0.293 2152 V C -0.618 175.520 176.094 0.074 0.000 1.021 2152 V CA -0.492 61.848 62.300 0.067 0.000 0.848 2152 V CB 1.443 33.291 31.823 0.042 0.000 0.998 2152 V HN 0.795 nan 8.190 nan 0.000 0.424 2153 L N 5.512 126.796 121.223 0.103 0.000 2.329 2153 L HA 0.726 5.071 4.340 0.010 0.000 0.279 2153 L C -0.258 176.677 176.870 0.108 0.000 1.014 2153 L CA -0.129 54.785 54.840 0.122 0.000 0.814 2153 L CB 1.486 43.659 42.059 0.189 0.000 1.257 2153 L HN 0.685 nan 8.230 nan 0.000 0.424 2154 R N 4.347 124.909 120.500 0.103 0.000 2.562 2154 R HA 0.654 5.000 4.340 0.010 0.000 0.298 2154 R C -1.841 174.574 176.300 0.191 0.000 0.961 2154 R CA -0.530 55.616 56.100 0.076 0.000 0.881 2154 R CB 1.346 31.669 30.300 0.037 0.000 1.159 2154 R HN 0.693 nan 8.270 nan 0.000 0.450 2155 F N 0.455 120.390 119.950 -0.026 0.000 2.631 2155 F HA 0.487 5.020 4.527 0.009 0.000 0.308 2155 F C -1.385 174.376 175.800 -0.064 0.000 1.097 2155 F CA -1.261 56.709 58.000 -0.050 0.000 0.952 2155 F CB 1.198 40.101 39.000 -0.161 0.000 1.307 2155 F HN 0.341 nan 8.300 nan 0.000 0.450 2156 K N 1.964 122.435 120.400 0.118 0.000 2.205 2156 K HA 0.738 5.064 4.320 0.010 0.000 0.279 2156 K C -0.607 175.971 176.600 -0.037 0.000 1.027 2156 K CA -0.606 55.504 56.287 -0.296 0.000 0.932 2156 K CB 1.358 33.638 32.500 -0.368 0.000 1.032 2156 K HN 0.958 nan 8.250 nan 0.000 0.466 2157 A N 3.486 126.186 122.820 -0.200 0.000 2.798 2157 A HA 0.127 4.453 4.320 0.010 0.000 0.316 2157 A C 0.805 178.365 177.584 -0.041 0.000 1.506 2157 A CA -0.490 51.539 52.037 -0.013 0.000 1.162 2157 A CB -0.383 18.575 19.000 -0.071 0.000 1.138 2157 A HN 0.911 nan 8.150 nan 0.000 0.532 2158 T N -0.682 113.859 114.554 -0.022 0.000 3.088 2158 T HA 0.146 4.502 4.350 0.010 0.000 0.259 2158 T C 0.763 175.503 174.700 0.068 0.000 1.122 2158 T CA 0.517 62.614 62.100 -0.005 0.000 1.095 2158 T CB -0.007 68.855 68.868 -0.010 0.000 0.930 2158 T HN 0.549 nan 8.240 nan 0.000 0.508 2159 R N 0.761 121.326 120.500 0.108 0.000 2.513 2159 R HA 0.702 5.048 4.340 0.010 0.000 0.301 2159 R C -0.919 175.587 176.300 0.343 0.000 0.968 2159 R CA -0.689 55.547 56.100 0.226 0.000 0.872 2159 R CB 1.920 32.377 30.300 0.261 0.000 1.177 2159 R HN 0.272 nan 8.270 nan 0.000 0.444 2160 A N 1.867 124.866 122.820 0.297 0.000 2.401 2160 A HA 0.739 5.065 4.320 0.010 0.000 0.259 2160 A C 0.329 177.930 177.584 0.028 0.000 1.103 2160 A CA 0.474 52.632 52.037 0.202 0.000 0.789 2160 A CB 0.658 19.656 19.000 -0.003 0.000 1.035 2160 A HN 0.879 nan 8.150 nan 0.000 0.491 2161 G N -0.583 108.145 108.800 -0.121 0.000 2.341 2161 G HA2 0.606 4.572 3.960 0.010 0.000 0.293 2161 G HA3 0.606 4.572 3.960 0.010 0.000 0.293 2161 G C -0.640 173.863 174.900 -0.660 0.000 1.298 2161 G CA -0.076 44.428 45.100 -0.993 0.000 0.868 2161 G HN 1.832 nan 8.290 nan 0.000 0.540 2162 A N -0.575 121.742 122.820 -0.838 0.000 2.309 2162 A HA 0.877 5.203 4.320 0.010 0.000 0.298 2162 A C -1.078 176.251 177.584 -0.425 0.000 1.165 2162 A CA -0.177 51.647 52.037 -0.355 0.000 0.821 2162 A CB 0.232 19.097 19.000 -0.225 0.000 1.102 2162 A HN 0.973 nan 8.150 nan 0.000 0.500 2163 F N 0.958 120.872 119.950 -0.059 0.000 2.588 2163 F HA 0.474 5.007 4.527 0.010 0.000 0.314 2163 F C 0.203 175.979 175.800 -0.039 0.000 1.069 2163 F CA -0.756 57.249 58.000 0.008 0.000 0.931 2163 F CB 2.024 41.079 39.000 0.092 0.000 1.260 2163 F HN 0.340 nan 8.300 nan 0.000 0.465 2164 V N 2.330 122.302 119.914 0.098 0.000 2.775 2164 V HA 0.176 4.302 4.120 0.010 0.000 0.299 2164 V C -0.760 175.215 176.094 -0.199 0.000 1.062 2164 V CA -0.354 61.845 62.300 -0.169 0.000 1.063 2164 V CB 0.750 32.383 31.823 -0.317 0.000 0.994 2164 V HN 0.642 nan 8.190 nan 0.000 0.483 2165 Y N 2.338 122.479 120.300 -0.265 0.000 2.524 2165 Y HA 0.894 5.450 4.550 0.009 0.000 0.344 2165 Y C -0.420 175.321 175.900 -0.265 0.000 1.012 2165 Y CA -1.310 56.503 58.100 -0.478 0.000 1.068 2165 Y CB 1.395 39.328 38.460 -0.877 0.000 1.249 2165 Y HN 0.863 nan 8.280 nan 0.000 0.468 2166 H N -0.817 118.249 119.070 -0.006 0.000 2.967 2166 H HA 0.476 5.037 4.556 0.009 0.000 0.318 2166 H C -1.501 173.989 175.328 0.271 0.000 1.375 2166 H CA -1.514 54.639 56.048 0.175 0.000 1.132 2166 H CB 0.617 30.423 29.762 0.073 0.000 1.848 2166 H HN 1.076 nan 8.280 nan 0.000 0.524 2167 C N 1.115 120.721 119.300 0.510 0.000 2.662 2167 C HA 0.679 5.144 4.460 0.010 0.000 0.420 2167 C C 0.688 175.871 174.990 0.323 0.000 1.314 2167 C CA 0.912 60.137 59.018 0.345 0.000 1.963 2167 C CB -1.118 26.784 27.740 0.271 0.000 2.686 2167 C HN 0.891 nan 8.230 nan 0.000 0.609 2168 A N 6.550 129.459 122.820 0.149 0.000 3.277 2168 A HA 0.460 4.786 4.320 0.010 0.000 0.281 2168 A C -1.837 175.752 177.584 0.009 0.000 1.179 2168 A CA -0.502 51.613 52.037 0.129 0.000 0.879 2168 A CB 0.220 19.313 19.000 0.156 0.000 1.374 2168 A HN 0.641 nan 8.150 nan 0.000 0.590 2169 P HA 0.171 nan 4.420 nan 0.000 0.222 2169 P C 0.818 178.066 177.300 -0.087 0.000 1.147 2169 P CA 1.843 64.846 63.100 -0.161 0.000 0.790 2169 P CB 0.306 31.773 31.700 -0.388 0.000 0.780 2170 G N -2.490 106.281 108.800 -0.048 0.000 2.634 2170 G HA2 0.409 4.374 3.960 0.010 0.000 0.568 2170 G HA3 0.409 4.374 3.960 0.010 0.000 0.568 2170 G C 0.079 174.982 174.900 0.006 0.000 1.495 2170 G CA -0.252 44.842 45.100 -0.011 0.000 0.903 2170 G HN 0.393 nan 8.290 nan 0.000 0.646 2171 G N 3.094 111.908 108.800 0.023 0.000 2.614 2171 G HA2 -0.106 3.859 3.960 0.010 0.000 0.303 2171 G HA3 -0.106 3.859 3.960 0.010 0.000 0.303 2171 G C -0.132 174.800 174.900 0.052 0.000 1.270 2171 G CA 1.145 46.264 45.100 0.031 0.000 0.988 2171 G HN 1.430 nan 8.290 nan 0.000 0.551 2172 P HA -0.003 nan 4.420 nan 0.000 0.231 2172 P C 1.479 178.858 177.300 0.131 0.000 1.158 2172 P CA 1.606 64.752 63.100 0.077 0.000 0.763 2172 P CB -0.005 31.727 31.700 0.052 0.000 0.805 2173 M N -1.197 118.488 119.600 0.141 0.000 2.509 2173 M HA 0.153 4.639 4.480 0.010 0.000 0.250 2173 M C 1.912 178.412 176.300 0.332 0.000 1.132 2173 M CA -0.285 55.193 55.300 0.296 0.000 1.080 2173 M CB -1.102 31.647 32.600 0.249 0.000 1.408 2173 M HN -0.147 nan 8.290 nan 0.000 0.484 2174 I N 1.214 121.895 120.570 0.186 0.000 2.163 2174 I HA -0.261 3.915 4.170 0.010 0.000 0.243 2174 I C -0.537 175.712 176.117 0.220 0.000 1.085 2174 I CA 1.633 63.041 61.300 0.180 0.000 1.347 2174 I CB -1.655 36.429 38.000 0.140 0.000 1.044 2174 I HN 0.181 nan 8.210 nan 0.000 0.408 2175 P HA -0.207 nan 4.420 nan 0.000 0.217 2175 P C 1.403 178.847 177.300 0.240 0.000 1.151 2175 P CA 1.454 64.643 63.100 0.149 0.000 0.828 2175 P CB -0.272 31.484 31.700 0.094 0.000 0.788 2176 W N 1.099 122.480 121.300 0.135 0.000 2.338 2176 W HA -0.168 4.496 4.660 0.006 0.000 0.304 2176 W C 2.492 179.102 176.519 0.151 0.000 1.212 2176 W CA 1.664 59.106 57.345 0.162 0.000 1.264 2176 W CB -1.207 28.433 29.460 0.299 0.000 1.142 2176 W HN 0.076 nan 8.180 nan 0.000 0.512 2177 H N -1.329 117.760 119.070 0.031 0.000 2.326 2177 H HA -0.150 4.411 4.556 0.009 0.000 0.301 2177 H C 2.229 177.506 175.328 -0.085 0.000 1.081 2177 H CA 2.114 58.066 56.048 -0.160 0.000 1.334 2177 H CB -0.539 29.221 29.762 -0.003 0.000 1.385 2177 H HN -0.000 nan 8.280 nan 0.000 0.504 2178 V N 1.312 121.306 119.914 0.133 0.000 2.255 2178 V HA -0.215 3.911 4.120 0.010 0.000 0.247 2178 V C 2.725 178.850 176.094 0.052 0.000 1.051 2178 V CA 1.828 64.170 62.300 0.070 0.000 1.018 2178 V CB -0.553 31.264 31.823 -0.010 0.000 0.641 2178 V HN 0.395 nan 8.190 nan 0.000 0.445 2179 V N -2.685 117.275 119.914 0.076 0.000 3.444 2179 V HA 0.049 4.175 4.120 0.010 0.000 0.271 2179 V C 1.630 177.857 176.094 0.223 0.000 1.188 2179 V CA 1.624 64.024 62.300 0.166 0.000 1.168 2179 V CB -0.229 31.756 31.823 0.270 0.000 0.810 2179 V HN 0.423 nan 8.190 nan 0.000 0.500 2180 S N 0.332 116.026 115.700 -0.010 0.000 2.540 2180 S HA 0.548 5.024 4.470 0.010 0.000 0.218 2180 S C 1.472 176.017 174.600 -0.092 0.000 0.977 2180 S CA 0.652 58.770 58.200 -0.137 0.000 0.918 2180 S CB 0.721 63.625 63.200 -0.492 0.000 0.806 2180 S HN 1.156 nan 8.310 nan 0.000 0.496 2181 G N 1.431 110.237 108.800 0.011 0.000 2.273 2181 G HA2 -0.176 3.790 3.960 0.010 0.000 0.162 2181 G HA3 -0.176 3.790 3.960 0.010 0.000 0.162 2181 G C 0.150 175.066 174.900 0.028 0.000 1.006 2181 G CA -0.145 44.985 45.100 0.049 0.000 0.704 2181 G HN 0.444 nan 8.290 nan 0.000 0.487 2182 T N 0.587 115.135 114.554 -0.011 0.000 3.414 2182 T HA 0.734 5.090 4.350 0.010 0.000 0.304 2182 T C 0.155 175.064 174.700 0.348 0.000 1.241 2182 T CA 0.583 62.679 62.100 -0.007 0.000 1.076 2182 T CB 1.168 69.824 68.868 -0.352 0.000 1.134 2182 T HN 1.670 nan 8.240 nan 0.000 0.759 2183 A N 1.505 124.545 122.820 0.366 0.000 2.589 2183 A HA 0.957 5.283 4.320 0.010 0.000 0.296 2183 A C -0.078 177.435 177.584 -0.119 0.000 1.062 2183 A CA -0.505 51.635 52.037 0.172 0.000 0.686 2183 A CB 1.546 20.591 19.000 0.075 0.000 1.282 2183 A HN 0.916 nan 8.150 nan 0.000 0.404 2184 G N -1.187 107.114 108.800 -0.831 0.000 2.846 2184 G HA2 0.627 4.593 3.960 0.010 0.000 0.299 2184 G HA3 0.627 4.593 3.960 0.010 0.000 0.299 2184 G C -1.175 173.060 174.900 -1.109 0.000 1.242 2184 G CA 0.225 44.762 45.100 -0.939 0.000 0.800 2184 G HN 1.986 nan 8.290 nan 0.000 0.538 2185 C N -0.278 118.471 119.300 -0.917 0.000 2.783 2185 C HA 0.846 5.312 4.460 0.010 0.000 0.312 2185 C C -0.913 174.008 174.990 -0.115 0.000 1.182 2185 C CA -0.715 58.008 59.018 -0.491 0.000 1.432 2185 C CB 0.361 27.655 27.740 -0.742 0.000 1.933 2185 C HN 0.864 nan 8.230 nan 0.000 0.473 2186 I N 6.149 126.787 120.570 0.113 0.000 2.498 2186 I HA 0.567 4.743 4.170 0.010 0.000 0.290 2186 I C -0.769 175.409 176.117 0.102 0.000 1.032 2186 I CA -0.718 60.645 61.300 0.105 0.000 1.073 2186 I CB 1.584 39.728 38.000 0.240 0.000 1.251 2186 I HN 0.915 nan 8.210 nan 0.000 0.426 2187 M N 8.247 127.844 119.600 -0.006 0.000 2.149 2187 M HA 0.488 4.974 4.480 0.010 0.000 0.342 2187 M C -1.802 174.536 176.300 0.062 0.000 1.068 2187 M CA -0.597 54.725 55.300 0.038 0.000 0.991 2187 M CB 1.303 33.866 32.600 -0.062 0.000 1.596 2187 M HN 0.448 nan 8.290 nan 0.000 0.439 2188 V N 7.077 127.094 119.914 0.172 0.000 2.328 2188 V HA 0.371 4.497 4.120 0.010 0.000 0.278 2188 V C -0.150 176.031 176.094 0.145 0.000 1.021 2188 V CA -0.602 61.776 62.300 0.131 0.000 0.838 2188 V CB 1.151 33.117 31.823 0.238 0.000 0.999 2188 V HN 0.824 nan 8.190 nan 0.000 0.447 2189 L N 7.373 128.572 121.223 -0.039 0.000 2.350 2189 L HA 0.439 4.785 4.340 0.010 0.000 0.275 2189 L C -2.186 174.702 176.870 0.030 0.000 1.099 2189 L CA -1.761 53.032 54.840 -0.079 0.000 0.808 2189 L CB 1.574 43.491 42.059 -0.236 0.000 1.149 2189 L HN 0.381 nan 8.230 nan 0.000 0.442 2190 P HA 0.043 nan 4.420 nan 0.000 0.268 2190 P C 0.086 177.501 177.300 0.192 0.000 1.208 2190 P CA -0.081 63.065 63.100 0.076 0.000 0.777 2190 P CB 0.472 32.169 31.700 -0.004 0.000 0.875 2191 R N 1.708 122.319 120.500 0.186 0.000 2.159 2191 R HA -0.121 4.225 4.340 0.010 0.000 0.237 2191 R C 0.558 176.882 176.300 0.040 0.000 1.131 2191 R CA 1.523 57.690 56.100 0.111 0.000 0.982 2191 R CB -0.592 29.737 30.300 0.049 0.000 0.868 2191 R HN 0.624 nan 8.270 nan 0.000 0.453 2192 D N -0.261 120.173 120.400 0.056 0.000 2.587 2192 D HA 0.201 4.847 4.640 0.010 0.000 0.233 2192 D C 0.715 177.019 176.300 0.007 0.000 1.213 2192 D CA 0.201 54.212 54.000 0.018 0.000 0.827 2192 D CB 0.043 40.856 40.800 0.022 0.000 1.006 2192 D HN 0.232 nan 8.370 nan 0.000 0.490 2193 G N 0.164 108.974 108.800 0.017 0.000 2.782 2193 G HA2 -0.210 3.756 3.960 0.010 0.000 0.228 2193 G HA3 -0.210 3.756 3.960 0.010 0.000 0.228 2193 G C -0.550 174.279 174.900 -0.119 0.000 1.372 2193 G CA -0.545 44.526 45.100 -0.048 0.000 0.862 2193 G HN 0.341 nan 8.290 nan 0.000 0.547 2194 L N 0.457 121.569 121.223 -0.185 0.000 2.452 2194 L HA 0.462 4.808 4.340 0.010 0.000 0.267 2194 L C 0.584 177.449 176.870 -0.008 0.000 1.188 2194 L CA -0.339 54.371 54.840 -0.216 0.000 0.821 2194 L CB 0.699 42.613 42.059 -0.243 0.000 1.102 2194 L HN 0.469 nan 8.230 nan 0.000 0.470 2195 K N 1.178 121.645 120.400 0.112 0.000 2.375 2195 K HA 0.310 4.636 4.320 0.010 0.000 0.249 2195 K C -0.824 175.950 176.600 0.291 0.000 0.942 2195 K CA -0.858 55.528 56.287 0.165 0.000 0.806 2195 K CB 1.985 34.570 32.500 0.142 0.000 1.227 2195 K HN 0.572 nan 8.250 nan 0.000 0.430 2196 D N 0.620 121.130 120.400 0.184 0.000 2.314 2196 D HA -0.102 4.544 4.640 0.010 0.000 0.252 2196 D C 1.161 177.532 176.300 0.119 0.000 1.295 2196 D CA 0.435 54.532 54.000 0.161 0.000 0.995 2196 D CB 0.150 41.002 40.800 0.087 0.000 1.125 2196 D HN 0.606 nan 8.370 nan 0.000 0.537 2197 H N -1.707 117.360 119.070 -0.006 0.000 2.524 2197 H HA 0.098 4.660 4.556 0.010 0.000 0.282 2197 H C 0.552 175.894 175.328 0.023 0.000 1.016 2197 H CA 0.817 56.861 56.048 -0.008 0.000 1.270 2197 H CB -0.429 29.300 29.762 -0.054 0.000 1.394 2197 H HN 0.589 nan 8.280 nan 0.000 0.568 2198 E N 0.262 120.181 120.200 -0.468 0.000 2.463 2198 E HA 0.215 4.570 4.350 0.010 0.000 0.193 2198 E C 0.781 177.317 176.600 -0.107 0.000 1.041 2198 E CA 0.162 56.410 56.400 -0.255 0.000 0.879 2198 E CB 0.503 30.009 29.700 -0.324 0.000 0.997 2198 E HN 0.673 nan 8.360 nan 0.000 0.478 2199 G N 2.515 111.289 108.800 -0.044 0.000 2.141 2199 G HA2 -0.310 3.656 3.960 0.010 0.000 0.242 2199 G HA3 -0.310 3.656 3.960 0.010 0.000 0.242 2199 G C 0.233 175.135 174.900 0.003 0.000 0.982 2199 G CA 0.223 45.336 45.100 0.021 0.000 0.662 2199 G HN 0.193 nan 8.290 nan 0.000 0.527 2200 K N 0.994 121.374 120.400 -0.033 0.000 2.205 2200 K HA 0.473 4.799 4.320 0.010 0.000 0.279 2200 K C -2.417 174.188 176.600 0.008 0.000 1.027 2200 K CA -1.998 54.276 56.287 -0.022 0.000 0.932 2200 K CB 1.068 33.536 32.500 -0.053 0.000 1.032 2200 K HN -0.033 nan 8.250 nan 0.000 0.466 2201 P HA -0.120 nan 4.420 nan 0.000 0.261 2201 P C -0.971 176.334 177.300 0.008 0.000 1.173 2201 P CA -0.039 63.064 63.100 0.005 0.000 0.760 2201 P CB 0.526 32.218 31.700 -0.013 0.000 0.783 2202 V N 2.278 122.207 119.914 0.024 0.000 3.001 2202 V HA 0.770 4.896 4.120 0.010 0.000 0.314 2202 V C -0.377 175.710 176.094 -0.011 0.000 1.099 2202 V CA -0.955 61.363 62.300 0.031 0.000 0.989 2202 V CB 2.846 34.725 31.823 0.094 0.000 1.040 2202 V HN 0.274 nan 8.190 nan 0.000 0.434 2203 R N 0.973 121.454 120.500 -0.031 0.000 2.725 2203 R HA 0.547 4.893 4.340 0.010 0.000 0.277 2203 R C -1.593 174.659 176.300 -0.079 0.000 0.987 2203 R CA -0.422 55.594 56.100 -0.141 0.000 0.901 2203 R CB 2.331 32.529 30.300 -0.170 0.000 1.207 2203 R HN 0.996 nan 8.270 nan 0.000 0.463 2204 Y N -1.265 119.008 120.300 -0.045 0.000 2.496 2204 Y HA 0.470 5.026 4.550 0.010 0.000 0.331 2204 Y C 0.434 176.295 175.900 -0.066 0.000 1.140 2204 Y CA -0.947 57.122 58.100 -0.052 0.000 1.166 2204 Y CB 1.076 39.495 38.460 -0.067 0.000 1.249 2204 Y HN 0.391 nan 8.280 nan 0.000 0.479 2205 D N 0.431 120.913 120.400 0.137 0.000 2.277 2205 D HA 0.086 4.732 4.640 0.010 0.000 0.209 2205 D C -0.181 176.178 176.300 0.099 0.000 0.970 2205 D CA 1.061 55.091 54.000 0.049 0.000 0.874 2205 D CB 0.482 41.298 40.800 0.027 0.000 0.982 2205 D HN 0.658 nan 8.370 nan 0.000 0.504 2206 T N -0.105 114.510 114.554 0.102 0.000 2.900 2206 T HA 0.427 4.783 4.350 0.010 0.000 0.303 2206 T C -1.117 173.367 174.700 -0.361 0.000 1.142 2206 T CA -0.580 61.448 62.100 -0.119 0.000 1.007 2206 T CB 3.123 71.781 68.868 -0.350 0.000 1.156 2206 T HN -0.225 nan 8.240 nan 0.000 0.490 2207 V N 2.755 122.374 119.914 -0.492 0.000 2.604 2207 V HA 0.774 4.900 4.120 0.010 0.000 0.305 2207 V C -1.985 173.801 176.094 -0.513 0.000 1.043 2207 V CA -0.527 61.393 62.300 -0.634 0.000 0.888 2207 V CB 1.341 32.767 31.823 -0.663 0.000 0.995 2207 V HN 0.836 nan 8.190 nan 0.000 0.429 2208 Y N 5.337 125.437 120.300 -0.333 0.000 2.446 2208 Y HA 0.545 5.101 4.550 0.010 0.000 0.345 2208 Y C -0.733 175.086 175.900 -0.136 0.000 0.984 2208 Y CA -0.885 57.053 58.100 -0.270 0.000 1.058 2208 Y CB 1.935 40.197 38.460 -0.331 0.000 1.220 2208 Y HN 0.696 nan 8.280 nan 0.000 0.455 2209 Y N 4.773 125.031 120.300 -0.070 0.000 2.369 2209 Y HA 0.487 5.042 4.550 0.009 0.000 0.337 2209 Y C -1.155 174.635 175.900 -0.184 0.000 0.961 2209 Y CA -2.167 55.867 58.100 -0.109 0.000 1.186 2209 Y CB 0.381 38.785 38.460 -0.094 0.000 1.139 2209 Y HN 0.380 nan 8.280 nan 0.000 0.494 2210 I N 6.435 126.751 120.570 -0.424 0.000 2.291 2210 I HA 0.293 4.469 4.170 0.010 0.000 0.292 2210 I C 0.788 176.403 176.117 -0.838 0.000 1.064 2210 I CA -0.512 60.344 61.300 -0.739 0.000 1.269 2210 I CB 0.387 37.848 38.000 -0.898 0.000 1.418 2210 I HN 0.823 nan 8.210 nan 0.000 0.485 2211 G N 5.688 113.979 108.800 -0.849 0.000 2.347 2211 G HA2 0.400 4.366 3.960 0.010 0.000 0.314 2211 G HA3 0.400 4.366 3.960 0.010 0.000 0.314 2211 G C -0.329 174.462 174.900 -0.181 0.000 1.126 2211 G CA -0.416 44.344 45.100 -0.566 0.000 0.929 2211 G HN 0.637 nan 8.290 nan 0.000 0.441 2212 E N 1.286 121.488 120.200 0.003 0.000 2.231 2212 E HA 0.585 4.941 4.350 0.010 0.000 0.277 2212 E C -0.299 176.340 176.600 0.065 0.000 0.999 2212 E CA -0.609 55.914 56.400 0.205 0.000 0.827 2212 E CB 1.058 31.023 29.700 0.442 0.000 1.101 2212 E HN 0.488 nan 8.360 nan 0.000 0.393 2213 S N 3.203 118.897 115.700 -0.010 0.000 2.548 2213 S HA 0.337 4.813 4.470 0.010 0.000 0.276 2213 S C -1.153 173.192 174.600 -0.425 0.000 1.129 2213 S CA -1.159 56.933 58.200 -0.181 0.000 0.931 2213 S CB 1.361 64.493 63.200 -0.113 0.000 1.068 2213 S HN 0.510 nan 8.310 nan 0.000 0.480 2214 D N 1.209 121.345 120.400 -0.440 0.000 2.193 2214 D HA 0.513 5.159 4.640 0.010 0.000 0.249 2214 D C -0.651 175.209 176.300 -0.734 0.000 1.034 2214 D CA -0.216 53.523 54.000 -0.435 0.000 0.902 2214 D CB 0.619 41.315 40.800 -0.173 0.000 1.182 2214 D HN 0.769 nan 8.370 nan 0.000 0.436 2215 H N -0.838 118.079 119.070 -0.255 0.000 2.930 2215 H HA 0.313 4.875 4.556 0.010 0.000 0.371 2215 H C -1.111 173.982 175.328 -0.392 0.000 1.169 2215 H CA -0.784 55.201 56.048 -0.106 0.000 1.157 2215 H CB 1.704 31.436 29.762 -0.049 0.000 1.789 2215 H HN 0.288 nan 8.280 nan 0.000 0.547 2216 Y N 2.172 122.603 120.300 0.219 0.000 2.836 2216 Y HA 0.232 4.787 4.550 0.009 0.000 0.359 2216 Y C -0.536 175.496 175.900 0.219 0.000 1.060 2216 Y CA -0.731 57.478 58.100 0.181 0.000 1.161 2216 Y CB 0.163 38.704 38.460 0.136 0.000 1.225 2216 Y HN 0.381 nan 8.280 nan 0.000 0.621 2217 I N 5.045 125.797 120.570 0.303 0.000 2.416 2217 I HA 0.193 4.369 4.170 0.010 0.000 0.288 2217 I C -2.091 174.303 176.117 0.461 0.000 1.051 2217 I CA -3.144 58.359 61.300 0.339 0.000 1.375 2217 I CB 0.378 38.488 38.000 0.183 0.000 1.407 2217 I HN 0.218 nan 8.210 nan 0.000 0.516 2218 P HA 0.317 nan 4.420 nan 0.000 0.276 2218 P C -0.767 176.716 177.300 0.305 0.000 1.252 2218 P CA -0.621 62.680 63.100 0.335 0.000 0.802 2218 P CB 1.319 33.217 31.700 0.330 0.000 1.035 2219 K N 0.432 120.910 120.400 0.131 0.000 2.318 2219 K HA 0.335 4.661 4.320 0.010 0.000 0.249 2219 K C -0.193 176.411 176.600 0.008 0.000 0.942 2219 K CA -0.669 55.613 56.287 -0.009 0.000 0.808 2219 K CB 1.075 33.492 32.500 -0.139 0.000 1.189 2219 K HN 0.483 nan 8.250 nan 0.000 0.428 2220 D N 0.002 120.388 120.400 -0.024 0.000 2.451 2220 D HA 0.011 4.657 4.640 0.010 0.000 0.259 2220 D C 0.637 176.921 176.300 -0.028 0.000 1.201 2220 D CA -0.316 53.674 54.000 -0.016 0.000 1.028 2220 D CB 0.500 41.285 40.800 -0.024 0.000 1.095 2220 D HN 0.484 nan 8.370 nan 0.000 0.539 2221 E N -0.485 119.705 120.200 -0.018 0.000 2.171 2221 E HA -0.235 4.121 4.350 0.010 0.000 0.197 2221 E C 0.906 177.486 176.600 -0.033 0.000 0.997 2221 E CA 1.547 57.934 56.400 -0.021 0.000 0.810 2221 E CB -0.438 29.253 29.700 -0.015 0.000 0.738 2221 E HN 0.696 nan 8.360 nan 0.000 0.467 2222 D N -0.295 120.083 120.400 -0.038 0.000 2.371 2222 D HA -0.001 4.645 4.640 0.010 0.000 0.234 2222 D C 1.275 177.536 176.300 -0.064 0.000 1.049 2222 D CA 0.797 54.771 54.000 -0.043 0.000 0.907 2222 D CB 0.051 40.829 40.800 -0.036 0.000 0.891 2222 D HN 0.254 nan 8.370 nan 0.000 0.531 2223 G N -0.394 108.355 108.800 -0.086 0.000 2.179 2223 G HA2 -0.287 3.679 3.960 0.010 0.000 0.260 2223 G HA3 -0.287 3.679 3.960 0.010 0.000 0.260 2223 G C 0.518 175.299 174.900 -0.197 0.000 0.977 2223 G CA 0.694 45.712 45.100 -0.137 0.000 0.641 2223 G HN 0.839 nan 8.290 nan 0.000 0.533 2224 T N -1.773 112.697 114.554 -0.140 0.000 2.927 2224 T HA 0.641 4.997 4.350 0.010 0.000 0.281 2224 T C 0.227 174.849 174.700 -0.130 0.000 0.998 2224 T CA -0.787 61.227 62.100 -0.144 0.000 1.019 2224 T CB 1.702 70.547 68.868 -0.038 0.000 1.061 2224 T HN 0.248 nan 8.240 nan 0.000 0.518 2225 Y N 0.920 121.243 120.300 0.039 0.000 2.411 2225 Y HA 0.324 4.879 4.550 0.009 0.000 0.333 2225 Y C 1.098 176.998 175.900 -0.001 0.000 1.186 2225 Y CA -0.604 57.530 58.100 0.057 0.000 1.381 2225 Y CB 0.397 38.922 38.460 0.107 0.000 1.273 2225 Y HN 0.498 nan 8.280 nan 0.000 0.546 2226 M N 4.074 123.755 119.600 0.135 0.000 2.250 2226 M HA 0.367 4.853 4.480 0.010 0.000 0.344 2226 M C -0.013 176.114 176.300 -0.289 0.000 1.150 2226 M CA 0.041 55.244 55.300 -0.161 0.000 1.147 2226 M CB 0.735 33.147 32.600 -0.312 0.000 1.498 2226 M HN 0.485 nan 8.290 nan 0.000 0.461 2227 R N 1.363 121.552 120.500 -0.518 0.000 2.803 2227 R HA 0.727 5.073 4.340 0.010 0.000 0.276 2227 R C -1.550 174.339 176.300 -0.686 0.000 0.978 2227 R CA -0.496 55.358 56.100 -0.410 0.000 0.939 2227 R CB 1.958 32.096 30.300 -0.269 0.000 1.179 2227 R HN 0.545 nan 8.270 nan 0.000 0.472 2228 F N -1.238 118.727 119.950 0.025 0.000 2.640 2228 F HA 0.170 4.701 4.527 0.007 0.000 0.324 2228 F C 1.499 177.311 175.800 0.020 0.000 1.077 2228 F CA -0.618 57.405 58.000 0.038 0.000 0.965 2228 F CB 1.927 40.974 39.000 0.077 0.000 1.351 2228 F HN 0.524 nan 8.300 nan 0.000 0.487 2229 S N -1.467 114.372 115.700 0.232 0.000 2.528 2229 S HA 0.209 4.685 4.470 0.010 0.000 0.219 2229 S C -0.557 174.121 174.600 0.130 0.000 0.985 2229 S CA 0.562 58.837 58.200 0.125 0.000 0.914 2229 S CB -0.780 62.478 63.200 0.097 0.000 0.776 2229 S HN 0.727 nan 8.310 nan 0.000 0.526 2230 D N -1.575 118.932 120.400 0.178 0.000 2.725 2230 D HA 0.351 4.997 4.640 0.010 0.000 0.292 2230 D C -2.907 173.488 176.300 0.157 0.000 1.288 2230 D CA -1.530 52.549 54.000 0.133 0.000 0.784 2230 D CB 0.294 41.157 40.800 0.104 0.000 1.308 2230 D HN -0.277 nan 8.370 nan 0.000 0.429 2231 P HA -0.130 nan 4.420 nan 0.000 0.215 2231 P C 1.142 178.676 177.300 0.389 0.000 1.157 2231 P CA 1.460 64.718 63.100 0.264 0.000 0.868 2231 P CB 0.065 31.843 31.700 0.129 0.000 0.788 2232 S N -0.404 115.479 115.700 0.306 0.000 2.374 2232 S HA -0.257 4.219 4.470 0.010 0.000 0.227 2232 S C 1.961 176.580 174.600 0.032 0.000 1.037 2232 S CA 1.515 59.797 58.200 0.138 0.000 1.024 2232 S CB -0.907 62.334 63.200 0.067 0.000 0.861 2232 S HN 0.370 nan 8.310 nan 0.000 0.456 2233 E N 0.618 120.838 120.200 0.035 0.000 2.152 2233 E HA -0.077 4.279 4.350 0.010 0.000 0.192 2233 E C 1.682 178.102 176.600 -0.299 0.000 0.983 2233 E CA 0.911 57.312 56.400 0.002 0.000 0.818 2233 E CB -0.244 29.547 29.700 0.151 0.000 0.758 2233 E HN 0.508 nan 8.360 nan 0.000 0.467 2234 G N -0.337 108.051 108.800 -0.685 0.000 3.314 2234 G HA2 -0.129 3.837 3.960 0.010 0.000 0.238 2234 G HA3 -0.129 3.837 3.960 0.010 0.000 0.238 2234 G C 0.759 175.302 174.900 -0.594 0.000 1.184 2234 G CA -0.197 43.910 45.100 -1.655 0.000 0.806 2234 G HN 0.292 nan 8.290 nan 0.000 0.536 2235 Y N 1.263 121.317 120.300 -0.410 0.000 2.163 2235 Y HA -0.107 4.449 4.550 0.010 0.000 0.288 2235 Y C 2.503 178.178 175.900 -0.375 0.000 1.136 2235 Y CA 1.821 59.628 58.100 -0.489 0.000 1.147 2235 Y CB 0.236 38.239 38.460 -0.761 0.000 0.987 2235 Y HN 0.204 nan 8.280 nan 0.000 0.509 2236 E N 0.496 120.488 120.200 -0.347 0.000 2.031 2236 E HA -0.215 4.141 4.350 0.010 0.000 0.193 2236 E C 1.900 178.345 176.600 -0.259 0.000 0.994 2236 E CA 1.535 57.746 56.400 -0.316 0.000 0.800 2236 E CB -0.627 29.004 29.700 -0.115 0.000 0.752 2236 E HN 0.603 nan 8.360 nan 0.000 0.447 2237 D N 0.629 120.937 120.400 -0.153 0.000 2.133 2237 D HA -0.191 4.455 4.640 0.010 0.000 0.195 2237 D C 2.015 178.290 176.300 -0.042 0.000 0.997 2237 D CA 0.971 54.948 54.000 -0.038 0.000 0.840 2237 D CB -0.296 40.588 40.800 0.141 0.000 0.947 2237 D HN 0.155 nan 8.370 nan 0.000 0.452 2238 M N 0.574 120.107 119.600 -0.112 0.000 2.159 2238 M HA -0.161 4.324 4.480 0.010 0.000 0.263 2238 M C 2.124 178.368 176.300 -0.093 0.000 1.063 2238 M CA 1.061 56.352 55.300 -0.016 0.000 1.110 2238 M CB 0.090 32.735 32.600 0.076 0.000 1.374 2238 M HN -0.165 nan 8.290 nan 0.000 0.411 2239 V N 0.646 120.362 119.914 -0.330 0.000 2.392 2239 V HA -0.273 3.853 4.120 0.010 0.000 0.249 2239 V C 2.588 178.578 176.094 -0.173 0.000 1.059 2239 V CA 1.959 64.047 62.300 -0.353 0.000 1.051 2239 V CB -1.224 30.228 31.823 -0.618 0.000 0.658 2239 V HN 0.654 nan 8.190 nan 0.000 0.455 2240 A N -0.595 122.151 122.820 -0.124 0.000 1.930 2240 A HA -0.119 4.207 4.320 0.010 0.000 0.217 2240 A C 2.325 179.914 177.584 0.009 0.000 1.175 2240 A CA 1.900 53.908 52.037 -0.050 0.000 0.627 2240 A CB -0.437 18.551 19.000 -0.020 0.000 0.815 2240 A HN 0.364 nan 8.150 nan 0.000 0.443 2241 V N -0.190 119.758 119.914 0.058 0.000 2.407 2241 V HA -0.256 3.869 4.120 0.010 0.000 0.245 2241 V C 2.553 178.740 176.094 0.154 0.000 1.041 2241 V CA 1.901 64.297 62.300 0.160 0.000 1.040 2241 V CB -0.790 31.194 31.823 0.269 0.000 0.671 2241 V HN 0.560 nan 8.190 nan 0.000 0.455 2242 M N 0.134 119.732 119.600 -0.003 0.000 2.089 2242 M HA -0.273 4.213 4.480 0.010 0.000 0.257 2242 M C 1.850 178.041 176.300 -0.182 0.000 1.071 2242 M CA 2.111 57.208 55.300 -0.339 0.000 1.096 2242 M CB -0.752 31.619 32.600 -0.382 0.000 1.330 2242 M HN 0.263 nan 8.290 nan 0.000 0.403 2243 D N -0.218 120.128 120.400 -0.090 0.000 2.309 2243 D HA -0.095 4.551 4.640 0.010 0.000 0.212 2243 D C 2.061 178.355 176.300 -0.009 0.000 0.968 2243 D CA 1.753 55.719 54.000 -0.056 0.000 0.882 2243 D CB -0.315 40.458 40.800 -0.044 0.000 0.918 2243 D HN 0.529 nan 8.370 nan 0.000 0.503 2244 T N -2.067 112.505 114.554 0.030 0.000 3.088 2244 T HA 0.046 4.402 4.350 0.010 0.000 0.259 2244 T C 1.546 176.293 174.700 0.078 0.000 1.122 2244 T CA -0.022 62.110 62.100 0.054 0.000 1.095 2244 T CB -0.011 68.904 68.868 0.078 0.000 0.930 2244 T HN 0.231 nan 8.240 nan 0.000 0.508 2245 L N -0.829 120.449 121.223 0.091 0.000 4.496 2245 L HA -0.125 4.221 4.340 0.010 0.000 0.419 2245 L C -0.384 176.638 176.870 0.253 0.000 1.139 2245 L CA 0.225 55.148 54.840 0.138 0.000 0.975 2245 L CB -2.014 40.089 42.059 0.073 0.000 2.099 2245 L HN 0.445 nan 8.230 nan 0.000 0.818 2246 I N 0.573 121.309 120.570 0.278 0.000 2.354 2246 I HA 0.375 4.551 4.170 0.010 0.000 0.286 2246 I C -2.008 174.151 176.117 0.069 0.000 1.007 2246 I CA -1.802 59.592 61.300 0.157 0.000 1.167 2246 I CB 1.453 39.501 38.000 0.080 0.000 1.320 2246 I HN -0.260 nan 8.210 nan 0.000 0.458 2247 P HA 0.100 nan 4.420 nan 0.000 0.271 2247 P C 0.565 177.666 177.300 -0.331 0.000 1.218 2247 P CA -0.239 62.422 63.100 -0.732 0.000 0.780 2247 P CB 0.877 32.233 31.700 -0.574 0.000 0.901 2248 S N 0.796 116.324 115.700 -0.286 0.000 2.414 2248 S HA -0.033 4.443 4.470 0.010 0.000 0.227 2248 S C 0.182 174.437 174.600 -0.574 0.000 1.022 2248 S CA 0.841 58.920 58.200 -0.201 0.000 0.958 2248 S CB -0.708 62.530 63.200 0.064 0.000 0.797 2248 S HN 0.565 nan 8.310 nan 0.000 0.493 2249 H N -0.633 118.328 119.070 -0.181 0.000 2.865 2249 H HA 0.686 5.248 4.556 0.010 0.000 0.362 2249 H C -1.403 173.824 175.328 -0.170 0.000 1.114 2249 H CA -0.628 55.329 56.048 -0.151 0.000 1.208 2249 H CB 1.592 31.278 29.762 -0.126 0.000 1.727 2249 H HN 0.124 nan 8.280 nan 0.000 0.534 2250 I N 3.394 123.918 120.570 -0.076 0.000 2.512 2250 I HA 0.466 4.642 4.170 0.010 0.000 0.287 2250 I C -0.836 175.157 176.117 -0.207 0.000 1.069 2250 I CA -0.997 60.209 61.300 -0.155 0.000 1.056 2250 I CB 1.722 39.612 38.000 -0.183 0.000 1.229 2250 I HN 0.370 nan 8.210 nan 0.000 0.429 2251 V N 1.815 121.624 119.914 -0.174 0.000 3.078 2251 V HA 0.646 4.772 4.120 0.010 0.000 0.311 2251 V C -1.282 174.729 176.094 -0.139 0.000 1.138 2251 V CA -0.765 61.409 62.300 -0.210 0.000 1.007 2251 V CB 2.338 34.132 31.823 -0.048 0.000 1.045 2251 V HN 0.368 nan 8.190 nan 0.000 0.432 2252 F N 1.317 121.211 119.950 -0.093 0.000 2.450 2252 F HA 0.591 5.124 4.527 0.009 0.000 0.332 2252 F C 1.295 176.996 175.800 -0.165 0.000 1.093 2252 F CA -0.723 57.179 58.000 -0.162 0.000 1.003 2252 F CB 0.870 39.763 39.000 -0.178 0.000 1.151 2252 F HN 0.927 nan 8.300 nan 0.000 0.474 2253 N N 1.289 119.985 118.700 -0.007 0.000 2.693 2253 N HA -0.245 4.501 4.740 0.010 0.000 0.249 2253 N C 1.012 176.497 175.510 -0.041 0.000 1.119 2253 N CA 0.753 53.759 53.050 -0.073 0.000 0.717 2253 N CB -0.653 37.766 38.487 -0.114 0.000 1.071 2253 N HN 1.171 nan 8.380 nan 0.000 0.555 2254 G N -1.962 106.830 108.800 -0.014 0.000 2.176 2254 G HA2 0.002 3.968 3.960 0.010 0.000 0.253 2254 G HA3 0.002 3.968 3.960 0.010 0.000 0.253 2254 G C -0.033 174.815 174.900 -0.087 0.000 0.979 2254 G CA 0.700 45.778 45.100 -0.036 0.000 0.641 2254 G HN 1.426 nan 8.290 nan 0.000 0.530 2255 A N -1.492 121.280 122.820 -0.081 0.000 2.590 2255 A HA 0.711 5.037 4.320 0.010 0.000 0.296 2255 A C -0.080 177.436 177.584 -0.113 0.000 1.050 2255 A CA 0.095 52.053 52.037 -0.130 0.000 0.697 2255 A CB 0.739 19.654 19.000 -0.141 0.000 1.277 2255 A HN 1.568 nan 8.150 nan 0.000 0.411 2256 V N 1.731 121.568 119.914 -0.127 0.000 2.726 2256 V HA 0.294 4.420 4.120 0.010 0.000 0.304 2256 V C 1.838 177.871 176.094 -0.102 0.000 1.115 2256 V CA 2.401 64.637 62.300 -0.107 0.000 1.264 2256 V CB 0.354 32.129 31.823 -0.081 0.000 0.867 2256 V HN 2.611 nan 8.190 nan 0.000 0.498 2257 G N 3.778 112.515 108.800 -0.106 0.000 2.175 2257 G HA2 -0.295 3.671 3.960 0.010 0.000 0.265 2257 G HA3 -0.295 3.671 3.960 0.010 0.000 0.265 2257 G C 1.039 175.886 174.900 -0.089 0.000 0.979 2257 G CA 0.724 45.762 45.100 -0.104 0.000 0.663 2257 G HN 1.492 nan 8.290 nan 0.000 0.533 2258 A N -0.530 122.245 122.820 -0.075 0.000 1.940 2258 A HA 0.297 4.623 4.320 0.010 0.000 0.219 2258 A C 1.897 179.440 177.584 -0.068 0.000 1.176 2258 A CA 1.619 53.619 52.037 -0.062 0.000 0.631 2258 A CB -0.121 18.847 19.000 -0.053 0.000 0.814 2258 A HN 0.908 nan 8.150 nan 0.000 0.446 2259 L N 0.858 122.036 121.223 -0.074 0.000 3.094 2259 L HA 0.201 4.547 4.340 0.010 0.000 0.254 2259 L C 0.349 177.134 176.870 -0.141 0.000 1.298 2259 L CA -0.044 54.730 54.840 -0.109 0.000 1.050 2259 L CB -0.115 41.868 42.059 -0.126 0.000 1.420 2259 L HN 0.491 nan 8.230 nan 0.000 0.548 2260 T N -4.553 109.909 114.554 -0.154 0.000 2.858 2260 T HA 0.811 5.166 4.350 0.010 0.000 0.285 2260 T C 0.692 175.372 174.700 -0.034 0.000 1.052 2260 T CA 0.008 61.996 62.100 -0.187 0.000 1.009 2260 T CB 2.432 71.049 68.868 -0.419 0.000 1.241 2260 T HN 0.265 nan 8.240 nan 0.000 0.542 2261 G N 0.774 109.611 108.800 0.061 0.000 2.591 2261 G HA2 -0.351 3.615 3.960 0.010 0.000 0.298 2261 G HA3 -0.351 3.615 3.960 0.010 0.000 0.298 2261 G C 0.751 175.680 174.900 0.048 0.000 1.195 2261 G CA 0.796 45.931 45.100 0.059 0.000 0.989 2261 G HN 1.084 nan 8.290 nan 0.000 0.551 2262 E N 1.340 121.560 120.200 0.033 0.000 2.333 2262 E HA 0.011 4.367 4.350 0.010 0.000 0.198 2262 E C 2.204 178.828 176.600 0.039 0.000 1.007 2262 E CA 1.168 57.591 56.400 0.039 0.000 0.845 2262 E CB -0.674 29.044 29.700 0.031 0.000 0.766 2262 E HN 0.722 nan 8.360 nan 0.000 0.507 2263 G N 0.285 109.093 108.800 0.013 0.000 3.371 2263 G HA2 0.360 4.326 3.960 0.010 0.000 0.248 2263 G HA3 0.360 4.326 3.960 0.010 0.000 0.248 2263 G C 0.184 175.058 174.900 -0.043 0.000 1.161 2263 G CA 0.204 45.302 45.100 -0.002 0.000 0.796 2263 G HN 0.273 nan 8.290 nan 0.000 0.539 2264 A N 0.397 123.215 122.820 -0.004 0.000 2.498 2264 A HA 0.533 4.859 4.320 0.010 0.000 0.239 2264 A C 0.545 178.091 177.584 -0.062 0.000 1.068 2264 A CA -0.132 51.903 52.037 -0.003 0.000 0.766 2264 A CB 0.334 19.394 19.000 0.099 0.000 1.003 2264 A HN 0.333 nan 8.150 nan 0.000 0.497 2265 L N 1.703 122.829 121.223 -0.161 0.000 2.453 2265 L HA 0.366 4.712 4.340 0.010 0.000 0.261 2265 L C 0.290 177.128 176.870 -0.054 0.000 1.179 2265 L CA -0.313 54.322 54.840 -0.341 0.000 0.813 2265 L CB 0.353 42.039 42.059 -0.622 0.000 1.110 2265 L HN 0.593 nan 8.230 nan 0.000 0.466 2266 K N 1.368 121.819 120.400 0.084 0.000 2.426 2266 K HA 0.860 5.186 4.320 0.010 0.000 0.251 2266 K C -0.902 175.787 176.600 0.149 0.000 0.941 2266 K CA -0.540 55.820 56.287 0.123 0.000 0.808 2266 K CB 2.442 35.036 32.500 0.158 0.000 1.265 2266 K HN 0.732 nan 8.250 nan 0.000 0.432 2267 A N 1.519 124.333 122.820 -0.009 0.000 2.529 2267 A HA 0.784 5.110 4.320 0.010 0.000 0.296 2267 A C -1.389 176.163 177.584 -0.053 0.000 1.205 2267 A CA -0.712 51.292 52.037 -0.055 0.000 0.671 2267 A CB 1.460 20.315 19.000 -0.241 0.000 1.301 2267 A HN 0.542 nan 8.150 nan 0.000 0.450 2268 K N -0.339 120.052 120.400 -0.015 0.000 2.466 2268 K HA 0.611 4.936 4.320 0.010 0.000 0.260 2268 K C -1.115 175.529 176.600 0.074 0.000 1.011 2268 K CA -0.940 55.362 56.287 0.025 0.000 0.871 2268 K CB 1.958 34.485 32.500 0.045 0.000 1.404 2268 K HN 0.369 nan 8.250 nan 0.000 0.450 2269 V N 1.476 121.452 119.914 0.103 0.000 2.617 2269 V HA 0.094 4.220 4.120 0.010 0.000 0.304 2269 V C 1.358 177.510 176.094 0.095 0.000 1.040 2269 V CA 2.008 64.388 62.300 0.134 0.000 1.149 2269 V CB 0.060 31.951 31.823 0.114 0.000 0.914 2269 V HN 1.162 nan 8.190 nan 0.000 0.487 2270 G N 3.893 112.748 108.800 0.093 0.000 2.232 2270 G HA2 -0.183 3.783 3.960 0.010 0.000 0.226 2270 G HA3 -0.183 3.783 3.960 0.010 0.000 0.226 2270 G C -0.050 174.883 174.900 0.055 0.000 0.996 2270 G CA -0.020 45.107 45.100 0.045 0.000 0.626 2270 G HN 0.665 nan 8.290 nan 0.000 0.509 2271 D N 0.872 121.336 120.400 0.106 0.000 2.414 2271 D HA 0.390 5.036 4.640 0.010 0.000 0.242 2271 D C 0.255 176.620 176.300 0.108 0.000 1.129 2271 D CA 0.017 54.078 54.000 0.102 0.000 0.885 2271 D CB 0.703 41.580 40.800 0.129 0.000 1.198 2271 D HN 0.198 nan 8.370 nan 0.000 0.437 2272 N N 1.323 120.062 118.700 0.064 0.000 2.439 2272 N HA 0.242 4.988 4.740 0.010 0.000 0.249 2272 N C -1.475 174.083 175.510 0.080 0.000 1.003 2272 N CA -0.352 52.730 53.050 0.052 0.000 0.942 2272 N CB 0.687 39.199 38.487 0.042 0.000 1.115 2272 N HN -0.010 nan 8.380 nan 0.000 0.505 2273 V N 3.668 123.617 119.914 0.058 0.000 2.459 2273 V HA 0.407 4.533 4.120 0.010 0.000 0.295 2273 V C -0.233 175.731 176.094 -0.217 0.000 1.029 2273 V CA -0.990 61.239 62.300 -0.118 0.000 0.874 2273 V CB 1.596 33.342 31.823 -0.128 0.000 0.985 2273 V HN 0.461 nan 8.190 nan 0.000 0.438 2274 L N 5.459 126.459 121.223 -0.372 0.000 2.255 2274 L HA 0.560 4.905 4.340 0.010 0.000 0.289 2274 L C -0.921 175.745 176.870 -0.338 0.000 1.046 2274 L CA 0.293 54.955 54.840 -0.298 0.000 0.816 2274 L CB 0.284 41.967 42.059 -0.627 0.000 1.197 2274 L HN 0.470 nan 8.230 nan 0.000 0.427 2275 F N 5.114 125.122 119.950 0.097 0.000 2.334 2275 F HA 0.410 4.942 4.527 0.009 0.000 0.367 2275 F C 0.091 175.996 175.800 0.175 0.000 1.115 2275 F CA -0.637 57.434 58.000 0.118 0.000 1.116 2275 F CB 1.300 40.440 39.000 0.233 0.000 1.230 2275 F HN 0.096 nan 8.300 nan 0.000 0.484 2276 V N 3.683 123.750 119.914 0.254 0.000 2.407 2276 V HA 0.204 4.329 4.120 0.010 0.000 0.278 2276 V C -0.554 175.756 176.094 0.360 0.000 1.037 2276 V CA -0.592 61.869 62.300 0.268 0.000 0.900 2276 V CB 1.068 32.976 31.823 0.141 0.000 0.983 2276 V HN 0.691 nan 8.190 nan 0.000 0.459 2277 H N 3.269 122.499 119.070 0.267 0.000 2.727 2277 H HA 0.580 5.142 4.556 0.010 0.000 0.330 2277 H C 0.034 175.473 175.328 0.185 0.000 0.986 2277 H CA -0.327 55.851 56.048 0.216 0.000 1.251 2277 H CB 1.248 31.187 29.762 0.295 0.000 1.493 2277 H HN 0.778 nan 8.280 nan 0.000 0.515 2278 S N 4.305 120.245 115.700 0.400 0.000 2.690 2278 S HA 0.422 4.898 4.470 0.010 0.000 0.291 2278 S C -0.517 174.241 174.600 0.265 0.000 1.138 2278 S CA -0.907 57.470 58.200 0.295 0.000 1.013 2278 S CB 2.212 65.572 63.200 0.268 0.000 1.053 2278 S HN 0.669 nan 8.310 nan 0.000 0.539 2279 Q N 1.127 121.009 119.800 0.137 0.000 2.759 2279 Q HA 0.301 4.647 4.340 0.010 0.000 0.225 2279 Q C -2.618 173.395 176.000 0.021 0.000 0.823 2279 Q CA -1.338 54.511 55.803 0.078 0.000 0.828 2279 Q CB 2.177 30.948 28.738 0.056 0.000 1.425 2279 Q HN 0.597 nan 8.270 nan 0.000 0.449 2280 P HA 0.016 nan 4.420 nan 0.000 0.245 2280 P C 0.377 177.633 177.300 -0.073 0.000 1.212 2280 P CA 0.780 63.851 63.100 -0.048 0.000 0.774 2280 P CB 0.536 32.183 31.700 -0.088 0.000 0.999 2281 N N -1.146 117.530 118.700 -0.039 0.000 2.028 2281 N HA 0.072 4.818 4.740 0.010 0.000 0.230 2281 N C 0.114 175.624 175.510 0.000 0.000 1.354 2281 N CA -0.104 52.929 53.050 -0.029 0.000 0.855 2281 N CB 1.529 40.009 38.487 -0.012 0.000 1.111 2281 N HN -0.048 nan 8.380 nan 0.000 0.480 2282 R N 0.770 121.265 120.500 -0.009 0.000 2.663 2282 R HA 0.183 4.529 4.340 0.010 0.000 0.267 2282 R C -1.685 174.580 176.300 -0.058 0.000 1.038 2282 R CA -0.528 55.568 56.100 -0.007 0.000 0.886 2282 R CB 1.440 31.756 30.300 0.026 0.000 1.249 2282 R HN -0.044 nan 8.270 nan 0.000 0.463 2283 D N 0.813 121.162 120.400 -0.085 0.000 2.368 2283 D HA 0.184 4.830 4.640 0.010 0.000 0.240 2283 D C -0.386 175.788 176.300 -0.209 0.000 1.169 2283 D CA 0.393 54.243 54.000 -0.251 0.000 0.906 2283 D CB 1.618 42.280 40.800 -0.230 0.000 1.187 2283 D HN 0.331 nan 8.370 nan 0.000 0.435 2284 S N -0.642 114.841 115.700 -0.361 0.000 2.651 2284 S HA 0.636 5.112 4.470 0.010 0.000 0.279 2284 S C -1.420 173.055 174.600 -0.209 0.000 1.148 2284 S CA -0.972 57.113 58.200 -0.191 0.000 0.837 2284 S CB 1.291 64.392 63.200 -0.165 0.000 1.138 2284 S HN 0.525 nan 8.310 nan 0.000 0.478 2285 R N 1.323 121.753 120.500 -0.118 0.000 2.734 2285 R HA 0.403 4.749 4.340 0.010 0.000 0.268 2285 R C -3.276 172.837 176.300 -0.312 0.000 1.785 2285 R CA -1.646 54.399 56.100 -0.092 0.000 1.461 2285 R CB 0.551 30.906 30.300 0.092 0.000 1.308 2285 R HN 0.285 nan 8.270 nan 0.000 0.586 2286 P HA 0.016 nan 4.420 nan 0.000 0.268 2286 P C -0.997 175.579 177.300 -1.208 0.000 1.208 2286 P CA 0.168 62.697 63.100 -0.950 0.000 0.777 2286 P CB 0.420 31.412 31.700 -1.179 0.000 0.875 2287 H N 0.696 119.080 119.070 -1.142 0.000 3.086 2287 H HA 0.515 5.077 4.556 0.010 0.000 0.353 2287 H C -1.974 172.977 175.328 -0.627 0.000 1.134 2287 H CA -0.874 54.683 56.048 -0.819 0.000 1.248 2287 H CB 0.645 30.230 29.762 -0.296 0.000 1.878 2287 H HN 0.193 nan 8.280 nan 0.000 0.527 2288 L N 6.202 126.914 121.223 -0.851 0.000 2.259 2288 L HA 0.445 4.790 4.340 0.010 0.000 0.288 2288 L C -0.965 175.519 176.870 -0.643 0.000 1.051 2288 L CA -0.218 54.309 54.840 -0.521 0.000 0.824 2288 L CB 0.006 41.840 42.059 -0.374 0.000 1.206 2288 L HN 0.633 nan 8.230 nan 0.000 0.429 2289 I N 6.342 126.723 120.570 -0.316 0.000 2.517 2289 I HA 0.291 4.467 4.170 0.010 0.000 0.285 2289 I C 1.349 177.480 176.117 0.023 0.000 1.106 2289 I CA 0.718 61.947 61.300 -0.118 0.000 1.402 2289 I CB 0.414 38.472 38.000 0.097 0.000 1.399 2289 I HN 0.922 nan 8.210 nan 0.000 0.535 2290 G N 4.156 112.952 108.800 -0.008 0.000 2.195 2290 G HA2 -0.145 3.821 3.960 0.010 0.000 0.224 2290 G HA3 -0.145 3.821 3.960 0.010 0.000 0.224 2290 G C 0.235 175.241 174.900 0.176 0.000 0.990 2290 G CA -0.222 44.899 45.100 0.035 0.000 0.639 2290 G HN 1.000 nan 8.290 nan 0.000 0.514 2291 G N -1.474 107.268 108.800 -0.098 0.000 3.166 2291 G HA2 0.775 4.741 3.960 0.010 0.000 0.267 2291 G HA3 0.775 4.741 3.960 0.010 0.000 0.267 2291 G C -0.956 173.424 174.900 -0.866 0.000 1.256 2291 G CA -0.084 44.792 45.100 -0.374 0.000 0.859 2291 G HN 0.612 nan 8.290 nan 0.000 0.590 2292 H N -2.534 116.088 119.070 -0.746 0.000 2.933 2292 H HA 0.558 5.120 4.556 0.010 0.000 0.310 2292 H C -0.064 175.126 175.328 -0.229 0.000 1.351 2292 H CA -0.042 55.868 56.048 -0.230 0.000 1.137 2292 H CB 1.666 31.416 29.762 -0.020 0.000 1.853 2292 H HN 0.809 nan 8.280 nan 0.000 0.539 2293 G N 0.160 108.965 108.800 0.008 0.000 2.377 2293 G HA2 0.175 4.141 3.960 0.010 0.000 0.316 2293 G HA3 0.175 4.141 3.960 0.010 0.000 0.316 2293 G C -0.264 174.574 174.900 -0.102 0.000 1.115 2293 G CA -0.356 44.543 45.100 -0.335 0.000 0.952 2293 G HN 0.561 nan 8.290 nan 0.000 0.441 2294 D N 1.549 121.979 120.400 0.049 0.000 2.117 2294 D HA -0.030 4.616 4.640 0.010 0.000 0.198 2294 D C 0.932 177.147 176.300 -0.142 0.000 0.982 2294 D CA 1.199 55.201 54.000 0.003 0.000 0.828 2294 D CB 0.280 41.099 40.800 0.033 0.000 0.967 2294 D HN 0.286 nan 8.370 nan 0.000 0.464 2295 L N 0.376 121.478 121.223 -0.203 0.000 2.409 2295 L HA 0.458 4.804 4.340 0.010 0.000 0.272 2295 L C -1.036 175.496 176.870 -0.564 0.000 0.980 2295 L CA -0.684 53.910 54.840 -0.409 0.000 0.826 2295 L CB 3.133 44.930 42.059 -0.436 0.000 1.268 2295 L HN -0.363 nan 8.230 nan 0.000 0.407 2296 V N 1.342 120.850 119.914 -0.677 0.000 2.638 2296 V HA 0.393 4.519 4.120 0.010 0.000 0.306 2296 V C -1.092 174.711 176.094 -0.484 0.000 1.052 2296 V CA -0.475 61.492 62.300 -0.556 0.000 0.885 2296 V CB 2.724 34.165 31.823 -0.637 0.000 0.999 2296 V HN 0.672 nan 8.190 nan 0.000 0.424 2297 W N 4.218 125.473 121.300 -0.076 0.000 2.313 2297 W HA 0.297 4.963 4.660 0.010 0.000 0.315 2297 W C 1.267 177.766 176.519 -0.033 0.000 0.917 2297 W CA -0.365 56.964 57.345 -0.027 0.000 1.626 2297 W CB 1.057 30.513 29.460 -0.008 0.000 1.574 2297 W HN 0.985 nan 8.180 nan 0.000 0.395 2298 E N -0.442 119.839 120.200 0.135 0.000 2.204 2298 E HA -0.170 4.186 4.350 0.010 0.000 0.194 2298 E C 1.375 178.065 176.600 0.151 0.000 0.989 2298 E CA 1.749 58.271 56.400 0.204 0.000 0.824 2298 E CB -0.080 29.782 29.700 0.270 0.000 0.756 2298 E HN 0.131 nan 8.360 nan 0.000 0.477 2299 T N -3.059 111.563 114.554 0.114 0.000 3.107 2299 T HA 0.372 4.728 4.350 0.010 0.000 0.249 2299 T C 1.442 176.114 174.700 -0.046 0.000 1.096 2299 T CA 0.039 62.170 62.100 0.052 0.000 1.012 2299 T CB 0.560 69.461 68.868 0.055 0.000 0.977 2299 T HN 0.429 nan 8.240 nan 0.000 0.527 2300 G N 1.810 110.594 108.800 -0.027 0.000 2.143 2300 G HA2 -0.208 3.758 3.960 0.010 0.000 0.248 2300 G HA3 -0.208 3.758 3.960 0.010 0.000 0.248 2300 G C -0.205 174.279 174.900 -0.692 0.000 0.991 2300 G CA -0.230 44.710 45.100 -0.266 0.000 0.689 2300 G HN 0.530 nan 8.290 nan 0.000 0.522 2301 K N -0.188 119.927 120.400 -0.476 0.000 2.450 2301 K HA 0.561 4.887 4.320 0.010 0.000 0.257 2301 K C 0.350 176.719 176.600 -0.385 0.000 0.953 2301 K CA -1.136 54.845 56.287 -0.510 0.000 0.844 2301 K CB 1.018 33.377 32.500 -0.235 0.000 1.103 2301 K HN -0.020 nan 8.250 nan 0.000 0.429 2302 F N 0.707 120.395 119.950 -0.437 0.000 2.407 2302 F HA -0.037 4.496 4.527 0.010 0.000 0.299 2302 F C 1.860 177.492 175.800 -0.281 0.000 1.097 2302 F CA 0.813 58.379 58.000 -0.723 0.000 1.422 2302 F CB -0.128 38.379 39.000 -0.823 0.000 1.067 2302 F HN 0.558 nan 8.300 nan 0.000 0.539 2303 H N -0.252 118.909 119.070 0.153 0.000 2.556 2303 H HA 0.101 4.663 4.556 0.010 0.000 0.268 2303 H C 0.292 175.752 175.328 0.219 0.000 0.996 2303 H CA 0.160 56.316 56.048 0.179 0.000 1.157 2303 H CB -0.451 29.385 29.762 0.124 0.000 1.355 2303 H HN 0.130 nan 8.280 nan 0.000 0.597 2304 N N 0.800 119.704 118.700 0.341 0.000 2.513 2304 N HA 0.216 4.962 4.740 0.010 0.000 0.274 2304 N C 0.243 175.979 175.510 0.378 0.000 1.189 2304 N CA -0.104 53.134 53.050 0.313 0.000 0.975 2304 N CB 1.301 39.949 38.487 0.268 0.000 1.157 2304 N HN 0.124 nan 8.380 nan 0.000 0.465 2305 A N 2.250 125.202 122.820 0.221 0.000 2.425 2305 A HA 0.332 4.658 4.320 0.010 0.000 0.242 2305 A C -1.966 175.571 177.584 -0.079 0.000 1.077 2305 A CA -0.674 51.454 52.037 0.151 0.000 0.781 2305 A CB -0.313 18.734 19.000 0.078 0.000 1.020 2305 A HN 0.479 nan 8.150 nan 0.000 0.494 2306 P HA 0.379 nan 4.420 nan 0.000 0.285 2306 P C -0.682 176.351 177.300 -0.445 0.000 1.269 2306 P CA -0.488 62.114 63.100 -0.829 0.000 0.844 2306 P CB 1.142 31.893 31.700 -1.582 0.000 1.094 2307 E N 0.884 120.846 120.200 -0.396 0.000 2.280 2307 E HA 0.383 4.739 4.350 0.010 0.000 0.264 2307 E C 0.022 176.423 176.600 -0.331 0.000 1.064 2307 E CA -0.624 55.607 56.400 -0.281 0.000 0.900 2307 E CB 1.184 30.777 29.700 -0.177 0.000 1.123 2307 E HN 0.300 nan 8.360 nan 0.000 0.418 2308 R N 0.800 121.131 120.500 -0.283 0.000 2.832 2308 R HA 0.191 4.537 4.340 0.010 0.000 0.271 2308 R C -0.820 175.384 176.300 -0.160 0.000 0.996 2308 R CA -0.719 55.226 56.100 -0.258 0.000 0.977 2308 R CB 1.055 31.165 30.300 -0.317 0.000 1.168 2308 R HN 0.501 nan 8.270 nan 0.000 0.482 2309 D N 0.929 121.258 120.400 -0.118 0.000 2.837 2309 D HA -0.174 4.471 4.640 0.010 0.000 0.230 2309 D C -0.360 175.969 176.300 0.050 0.000 1.152 2309 D CA 0.940 54.905 54.000 -0.058 0.000 0.736 2309 D CB -0.831 39.909 40.800 -0.100 0.000 1.084 2309 D HN 0.353 nan 8.370 nan 0.000 0.429 2310 L N 0.721 121.979 121.223 0.059 0.000 2.461 2310 L HA 0.044 4.390 4.340 0.010 0.000 0.272 2310 L C 2.243 179.305 176.870 0.320 0.000 1.197 2310 L CA 0.187 55.124 54.840 0.162 0.000 0.836 2310 L CB 0.536 42.696 42.059 0.169 0.000 1.105 2310 L HN 0.127 nan 8.230 nan 0.000 0.477 2311 E N 0.400 120.766 120.200 0.278 0.000 2.102 2311 E HA 0.023 4.379 4.350 0.010 0.000 0.190 2311 E C -0.101 176.704 176.600 0.341 0.000 0.971 2311 E CA 0.518 57.084 56.400 0.277 0.000 0.821 2311 E CB 0.261 30.048 29.700 0.144 0.000 0.777 2311 E HN 0.591 nan 8.360 nan 0.000 0.460 2312 T N 0.568 115.265 114.554 0.238 0.000 2.909 2312 T HA 0.471 4.826 4.350 0.010 0.000 0.299 2312 T C -1.481 173.355 174.700 0.227 0.000 1.073 2312 T CA -0.860 61.271 62.100 0.051 0.000 0.999 2312 T CB 1.268 70.044 68.868 -0.152 0.000 1.098 2312 T HN 0.396 nan 8.240 nan 0.000 0.477 2313 W N 1.083 122.397 121.300 0.024 0.000 3.335 2313 W HA 0.869 5.535 4.660 0.010 0.000 0.335 2313 W C -1.671 174.932 176.519 0.139 0.000 1.164 2313 W CA -1.354 56.023 57.345 0.055 0.000 1.010 2313 W CB 0.766 30.250 29.460 0.041 0.000 1.524 2313 W HN 0.503 nan 8.180 nan 0.000 0.605 2314 F N 2.505 122.544 119.950 0.149 0.000 2.612 2314 F HA 0.489 5.022 4.527 0.010 0.000 0.332 2314 F C -1.128 174.695 175.800 0.039 0.000 1.167 2314 F CA -1.602 56.407 58.000 0.015 0.000 0.970 2314 F CB 0.802 39.817 39.000 0.024 0.000 1.234 2314 F HN 0.117 nan 8.300 nan 0.000 0.453 2315 I N 6.267 126.554 120.570 -0.473 0.000 2.297 2315 I HA 0.316 4.491 4.170 0.010 0.000 0.291 2315 I C 0.356 176.053 176.117 -0.700 0.000 1.033 2315 I CA -0.410 60.640 61.300 -0.416 0.000 1.253 2315 I CB 0.926 38.704 38.000 -0.370 0.000 1.396 2315 I HN 0.540 nan 8.210 nan 0.000 0.476 2316 R N 3.457 123.693 120.500 -0.439 0.000 2.491 2316 R HA 0.322 4.668 4.340 0.010 0.000 0.283 2316 R C 0.806 176.998 176.300 -0.180 0.000 1.072 2316 R CA -0.210 55.687 56.100 -0.339 0.000 1.048 2316 R CB 0.531 30.790 30.300 -0.068 0.000 0.983 2316 R HN 0.813 nan 8.270 nan 0.000 0.450 2317 G N 0.605 109.322 108.800 -0.140 0.000 2.321 2317 G HA2 0.282 4.248 3.960 0.010 0.000 0.237 2317 G HA3 0.282 4.248 3.960 0.010 0.000 0.237 2317 G C 0.815 175.722 174.900 0.012 0.000 1.282 2317 G CA 0.277 45.348 45.100 -0.048 0.000 0.886 2317 G HN 0.822 nan 8.290 nan 0.000 0.528 2318 G N 0.736 109.563 108.800 0.044 0.000 2.132 2318 G HA2 0.116 4.082 3.960 0.010 0.000 0.228 2318 G HA3 0.116 4.082 3.960 0.010 0.000 0.228 2318 G C 0.357 175.378 174.900 0.202 0.000 1.000 2318 G CA 0.818 46.008 45.100 0.150 0.000 0.693 2318 G HN 2.157 nan 8.290 nan 0.000 0.515 2319 T N -3.559 111.054 114.554 0.098 0.000 2.711 2319 T HA 0.930 5.285 4.350 0.010 0.000 0.302 2319 T C -0.470 174.261 174.700 0.052 0.000 1.373 2319 T CA 0.132 62.295 62.100 0.106 0.000 1.000 2319 T CB 1.740 70.635 68.868 0.044 0.000 1.483 2319 T HN 1.893 nan 8.240 nan 0.000 0.499 2320 A N -0.512 122.316 122.820 0.013 0.000 2.386 2320 A HA 0.976 5.301 4.320 0.010 0.000 0.311 2320 A C 0.135 177.720 177.584 0.002 0.000 1.068 2320 A CA -0.313 51.749 52.037 0.042 0.000 0.743 2320 A CB 1.451 20.458 19.000 0.012 0.000 1.258 2320 A HN 1.459 nan 8.150 nan 0.000 0.429 2321 G N -0.637 108.225 108.800 0.103 0.000 3.016 2321 G HA2 0.891 4.857 3.960 0.010 0.000 0.270 2321 G HA3 0.891 4.857 3.960 0.010 0.000 0.270 2321 G C -0.541 174.491 174.900 0.222 0.000 1.352 2321 G CA -0.239 44.938 45.100 0.130 0.000 1.060 2321 G HN 1.962 nan 8.290 nan 0.000 0.538 2322 A N -1.766 121.228 122.820 0.289 0.000 2.589 2322 A HA 0.904 5.230 4.320 0.010 0.000 0.296 2322 A C -0.739 177.068 177.584 0.370 0.000 1.062 2322 A CA 0.099 52.352 52.037 0.361 0.000 0.686 2322 A CB 1.408 20.642 19.000 0.389 0.000 1.282 2322 A HN 2.237 nan 8.150 nan 0.000 0.404 2323 A N 0.969 123.984 122.820 0.325 0.000 2.486 2323 A HA 0.739 5.065 4.320 0.010 0.000 0.300 2323 A C -1.803 175.932 177.584 0.252 0.000 1.048 2323 A CA -0.424 51.659 52.037 0.075 0.000 0.696 2323 A CB 1.299 20.038 19.000 -0.436 0.000 1.278 2323 A HN 1.312 nan 8.150 nan 0.000 0.405 2324 L N 2.037 123.368 121.223 0.180 0.000 2.307 2324 L HA 0.678 5.024 4.340 0.010 0.000 0.284 2324 L C -1.149 175.845 176.870 0.207 0.000 1.023 2324 L CA -0.480 54.490 54.840 0.217 0.000 0.810 2324 L CB 1.111 43.297 42.059 0.211 0.000 1.231 2324 L HN 0.699 nan 8.230 nan 0.000 0.423 2325 Y N 3.939 124.289 120.300 0.085 0.000 2.477 2325 Y HA 0.441 4.997 4.550 0.010 0.000 0.347 2325 Y C -0.682 175.150 175.900 -0.114 0.000 0.981 2325 Y CA -1.127 56.946 58.100 -0.044 0.000 1.033 2325 Y CB 1.494 39.887 38.460 -0.112 0.000 1.245 2325 Y HN 0.595 nan 8.280 nan 0.000 0.455 2326 K N 6.311 126.315 120.400 -0.660 0.000 2.281 2326 K HA 0.319 4.644 4.320 0.010 0.000 0.272 2326 K C -1.468 174.562 176.600 -0.951 0.000 1.048 2326 K CA -0.495 55.461 56.287 -0.552 0.000 0.898 2326 K CB 0.249 32.584 32.500 -0.274 0.000 1.128 2326 K HN 0.616 nan 8.250 nan 0.000 0.460 2327 F N 5.096 124.775 119.950 -0.452 0.000 2.557 2327 F HA -0.018 4.514 4.527 0.010 0.000 0.384 2327 F C 1.195 176.924 175.800 -0.118 0.000 1.057 2327 F CA 0.292 58.140 58.000 -0.252 0.000 1.169 2327 F CB 0.433 39.410 39.000 -0.039 0.000 1.070 2327 F HN 0.484 nan 8.300 nan 0.000 0.554 2328 L N 1.599 122.868 121.223 0.078 0.000 2.575 2328 L HA 0.175 4.521 4.340 0.010 0.000 0.228 2328 L C 0.569 177.498 176.870 0.099 0.000 1.075 2328 L CA 0.183 55.054 54.840 0.051 0.000 0.867 2328 L CB -0.116 41.948 42.059 0.007 0.000 1.097 2328 L HN 0.457 nan 8.230 nan 0.000 0.485 2329 Q N 0.438 120.390 119.800 0.253 0.000 2.433 2329 Q HA 0.511 4.857 4.340 0.010 0.000 0.279 2329 Q C -2.479 173.745 176.000 0.374 0.000 1.105 2329 Q CA -1.692 54.196 55.803 0.142 0.000 0.815 2329 Q CB 3.067 31.815 28.738 0.017 0.000 1.403 2329 Q HN -0.139 nan 8.270 nan 0.000 0.435 2330 P HA 0.656 nan 4.420 nan 0.000 0.289 2330 P C -0.388 177.142 177.300 0.384 0.000 1.300 2330 P CA -0.109 63.203 63.100 0.353 0.000 0.828 2330 P CB 1.665 33.528 31.700 0.273 0.000 1.235 2331 G N -1.778 107.186 108.800 0.274 0.000 2.371 2331 G HA2 0.034 4.000 3.960 0.010 0.000 0.663 2331 G HA3 0.034 4.000 3.960 0.010 0.000 0.663 2331 G C -1.359 173.626 174.900 0.140 0.000 1.311 2331 G CA -0.667 44.534 45.100 0.169 0.000 0.985 2331 G HN 0.396 nan 8.290 nan 0.000 0.566 2332 V N 0.491 120.420 119.914 0.026 0.000 2.607 2332 V HA 0.632 4.758 4.120 0.010 0.000 0.289 2332 V C -0.169 175.933 176.094 0.013 0.000 1.053 2332 V CA -0.132 62.198 62.300 0.050 0.000 0.996 2332 V CB 1.042 32.818 31.823 -0.079 0.000 0.995 2332 V HN 0.638 nan 8.190 nan 0.000 0.476 2333 Y N 1.359 121.710 120.300 0.084 0.000 2.562 2333 Y HA 0.738 5.294 4.550 0.010 0.000 0.343 2333 Y C 0.296 176.270 175.900 0.123 0.000 1.025 2333 Y CA -0.652 57.528 58.100 0.132 0.000 1.082 2333 Y CB 2.079 40.686 38.460 0.246 0.000 1.264 2333 Y HN 0.707 nan 8.280 nan 0.000 0.478 2334 A N 1.877 124.864 122.820 0.279 0.000 2.330 2334 A HA 0.550 4.875 4.320 0.010 0.000 0.327 2334 A C -2.132 175.603 177.584 0.253 0.000 1.155 2334 A CA -0.588 51.641 52.037 0.319 0.000 0.803 2334 A CB 0.400 19.546 19.000 0.243 0.000 1.208 2334 A HN 0.730 nan 8.150 nan 0.000 0.477 2335 Y N 3.237 123.599 120.300 0.102 0.000 2.353 2335 Y HA 0.525 5.081 4.550 0.010 0.000 0.340 2335 Y C -0.182 175.797 175.900 0.133 0.000 0.972 2335 Y CA -0.271 57.804 58.100 -0.041 0.000 1.157 2335 Y CB 1.124 39.469 38.460 -0.192 0.000 1.157 2335 Y HN 0.775 nan 8.280 nan 0.000 0.495 2336 V N 2.824 122.695 119.914 -0.072 0.000 3.160 2336 V HA 0.519 4.645 4.120 0.010 0.000 0.310 2336 V C -0.979 175.142 176.094 0.045 0.000 1.181 2336 V CA -1.301 61.088 62.300 0.149 0.000 1.047 2336 V CB 1.917 33.748 31.823 0.013 0.000 1.068 2336 V HN 0.794 nan 8.190 nan 0.000 0.441 2337 N N 1.080 119.855 118.700 0.124 0.000 2.408 2337 N HA 0.150 4.896 4.740 0.010 0.000 0.257 2337 N C 0.210 175.694 175.510 -0.044 0.000 1.064 2337 N CA 0.003 53.076 53.050 0.039 0.000 0.952 2337 N CB 0.421 38.927 38.487 0.032 0.000 1.093 2337 N HN 0.951 nan 8.380 nan 0.000 0.490 2338 H N 3.127 122.119 119.070 -0.129 0.000 2.645 2338 H HA 0.074 4.636 4.556 0.010 0.000 0.300 2338 H C -0.506 174.747 175.328 -0.125 0.000 1.065 2338 H CA 0.020 55.981 56.048 -0.145 0.000 1.173 2338 H CB -0.295 29.322 29.762 -0.241 0.000 1.383 2338 H HN 0.641 nan 8.280 nan 0.000 0.566 2339 N N 0.739 119.430 118.700 -0.014 0.000 2.437 2339 N HA 0.056 4.802 4.740 0.010 0.000 0.243 2339 N C 0.962 176.400 175.510 -0.120 0.000 1.041 2339 N CA -0.317 52.711 53.050 -0.038 0.000 0.940 2339 N CB 0.575 39.034 38.487 -0.046 0.000 1.133 2339 N HN 0.190 nan 8.380 nan 0.000 0.506 2340 L N 3.557 124.678 121.223 -0.170 0.000 2.465 2340 L HA -0.031 4.315 4.340 0.010 0.000 0.224 2340 L C 1.643 178.383 176.870 -0.216 0.000 1.145 2340 L CA 0.383 55.086 54.840 -0.229 0.000 0.834 2340 L CB -0.271 41.638 42.059 -0.250 0.000 0.944 2340 L HN 0.734 nan 8.230 nan 0.000 0.451 2341 I N 0.014 120.434 120.570 -0.249 0.000 2.202 2341 I HA -0.255 3.920 4.170 0.010 0.000 0.242 2341 I C 2.399 178.376 176.117 -0.234 0.000 1.091 2341 I CA 1.353 62.416 61.300 -0.394 0.000 1.368 2341 I CB -0.204 37.573 38.000 -0.372 0.000 1.058 2341 I HN 0.271 nan 8.210 nan 0.000 0.410 2342 E N 0.993 121.092 120.200 -0.168 0.000 2.085 2342 E HA -0.232 4.124 4.350 0.010 0.000 0.194 2342 E C 2.350 178.858 176.600 -0.153 0.000 0.994 2342 E CA 1.329 57.646 56.400 -0.138 0.000 0.801 2342 E CB -0.199 29.431 29.700 -0.117 0.000 0.743 2342 E HN 0.521 nan 8.360 nan 0.000 0.453 2343 A N 0.591 123.317 122.820 -0.155 0.000 1.902 2343 A HA -0.142 4.184 4.320 0.010 0.000 0.217 2343 A C 2.344 179.860 177.584 -0.112 0.000 1.181 2343 A CA 1.516 53.460 52.037 -0.155 0.000 0.623 2343 A CB -0.202 18.714 19.000 -0.141 0.000 0.818 2343 A HN 0.145 nan 8.150 nan 0.000 0.443 2344 V N -2.025 117.854 119.914 -0.059 0.000 3.151 2344 V HA -0.005 4.121 4.120 0.010 0.000 0.241 2344 V C 2.019 178.188 176.094 0.125 0.000 1.173 2344 V CA 0.926 63.241 62.300 0.025 0.000 1.154 2344 V CB -0.803 31.056 31.823 0.061 0.000 0.898 2344 V HN 0.685 nan 8.190 nan 0.000 0.473 2345 H N 0.243 119.259 119.070 -0.090 0.000 2.403 2345 H HA 0.021 4.582 4.556 0.010 0.000 0.298 2345 H C 1.792 177.052 175.328 -0.112 0.000 1.059 2345 H CA 0.941 56.937 56.048 -0.085 0.000 1.363 2345 H CB 0.416 30.129 29.762 -0.083 0.000 1.410 2345 H HN 0.216 nan 8.280 nan 0.000 0.528 2346 K N -0.448 119.959 120.400 0.013 0.000 2.323 2346 K HA 0.110 4.436 4.320 0.010 0.000 0.197 2346 K C 1.311 177.849 176.600 -0.103 0.000 1.043 2346 K CA 0.840 57.066 56.287 -0.101 0.000 0.997 2346 K CB 1.162 33.582 32.500 -0.134 0.000 0.807 2346 K HN 0.477 nan 8.250 nan 0.000 0.497 2347 G N 0.417 109.137 108.800 -0.135 0.000 2.234 2347 G HA2 -0.138 3.828 3.960 0.010 0.000 0.153 2347 G HA3 -0.138 3.828 3.960 0.010 0.000 0.153 2347 G C 0.180 174.867 174.900 -0.356 0.000 1.013 2347 G CA -0.080 44.910 45.100 -0.182 0.000 0.712 2347 G HN 0.296 nan 8.290 nan 0.000 0.491 2348 A N 1.195 123.737 122.820 -0.464 0.000 3.168 2348 A HA 0.685 5.011 4.320 0.010 0.000 0.260 2348 A C 0.476 177.631 177.584 -0.715 0.000 1.598 2348 A CA 0.757 52.203 52.037 -0.984 0.000 1.285 2348 A CB -0.189 18.383 19.000 -0.712 0.000 1.149 2348 A HN 0.514 nan 8.150 nan 0.000 0.630 2349 T N 0.827 115.126 114.554 -0.424 0.000 2.881 2349 T HA 0.662 5.018 4.350 0.010 0.000 0.290 2349 T C -0.249 174.576 174.700 0.209 0.000 1.000 2349 T CA -0.005 62.134 62.100 0.065 0.000 0.978 2349 T CB 1.631 70.502 68.868 0.005 0.000 0.997 2349 T HN 0.750 nan 8.240 nan 0.000 0.443 2350 A N 2.862 125.917 122.820 0.392 0.000 2.384 2350 A HA 0.836 5.162 4.320 0.010 0.000 0.312 2350 A C -1.029 176.625 177.584 0.117 0.000 1.113 2350 A CA -0.742 51.381 52.037 0.142 0.000 0.779 2350 A CB 0.982 20.020 19.000 0.063 0.000 1.307 2350 A HN 0.975 nan 8.150 nan 0.000 0.436 2351 H N -0.921 118.200 119.070 0.085 0.000 2.616 2351 H HA 0.653 5.215 4.556 0.010 0.000 0.353 2351 H C -0.976 174.396 175.328 0.073 0.000 1.170 2351 H CA -1.114 54.992 56.048 0.097 0.000 1.212 2351 H CB 2.084 31.891 29.762 0.075 0.000 1.653 2351 H HN 0.409 nan 8.280 nan 0.000 0.537 2352 V N 3.258 123.350 119.914 0.295 0.000 2.588 2352 V HA 0.252 4.378 4.120 0.010 0.000 0.304 2352 V C -0.485 175.709 176.094 0.168 0.000 1.042 2352 V CA -0.784 61.622 62.300 0.176 0.000 0.877 2352 V CB 1.835 33.765 31.823 0.177 0.000 0.996 2352 V HN 0.476 nan 8.190 nan 0.000 0.425 2353 L N 4.754 126.033 121.223 0.093 0.000 2.287 2353 L HA 0.696 5.042 4.340 0.010 0.000 0.287 2353 L C -0.775 176.122 176.870 0.045 0.000 1.022 2353 L CA -0.684 54.214 54.840 0.096 0.000 0.814 2353 L CB 1.809 43.916 42.059 0.081 0.000 1.217 2353 L HN 0.368 nan 8.230 nan 0.000 0.420 2354 V N 2.911 122.872 119.914 0.077 0.000 2.540 2354 V HA 0.300 4.426 4.120 0.010 0.000 0.302 2354 V C -0.013 176.130 176.094 0.082 0.000 1.035 2354 V CA -0.746 61.541 62.300 -0.022 0.000 0.873 2354 V CB 2.153 33.938 31.823 -0.063 0.000 0.992 2354 V HN 0.709 nan 8.190 nan 0.000 0.428 2355 E N 2.145 122.379 120.200 0.057 0.000 2.349 2355 E HA 0.681 5.037 4.350 0.010 0.000 0.265 2355 E C 0.462 177.120 176.600 0.096 0.000 1.064 2355 E CA 0.486 56.934 56.400 0.080 0.000 0.886 2355 E CB 1.657 31.393 29.700 0.060 0.000 1.036 2355 E HN 1.020 nan 8.360 nan 0.000 0.413 2356 G N 1.482 110.347 108.800 0.107 0.000 2.340 2356 G HA2 -0.037 3.929 3.960 0.010 0.000 0.282 2356 G HA3 -0.037 3.929 3.960 0.010 0.000 0.282 2356 G C -1.454 173.527 174.900 0.135 0.000 1.312 2356 G CA -0.943 44.223 45.100 0.109 0.000 0.942 2356 G HN 0.450 nan 8.290 nan 0.000 0.495 2357 E N -0.197 120.078 120.200 0.126 0.000 2.191 2357 E HA 0.509 4.864 4.350 0.010 0.000 0.278 2357 E C -0.151 176.561 176.600 0.186 0.000 0.972 2357 E CA -0.833 55.657 56.400 0.149 0.000 0.804 2357 E CB 1.005 30.763 29.700 0.098 0.000 1.110 2357 E HN 0.586 nan 8.360 nan 0.000 0.394 2358 W N 3.972 125.309 121.300 0.061 0.000 2.170 2358 W HA 0.184 4.849 4.660 0.010 0.000 0.336 2358 W C -0.616 175.940 176.519 0.061 0.000 1.283 2358 W CA 0.023 57.407 57.345 0.065 0.000 1.224 2358 W CB 1.116 30.607 29.460 0.051 0.000 1.132 2358 W HN 0.467 nan 8.180 nan 0.000 0.571 2359 D N 4.067 124.058 120.400 -0.682 0.000 2.461 2359 D HA 0.093 4.739 4.640 0.010 0.000 0.240 2359 D C 0.640 176.676 176.300 -0.441 0.000 1.094 2359 D CA -0.223 53.540 54.000 -0.395 0.000 0.868 2359 D CB 0.326 40.945 40.800 -0.302 0.000 1.062 2359 D HN 0.272 nan 8.370 nan 0.000 0.530 2360 N N 2.454 121.154 118.700 -0.000 0.000 2.520 2360 N HA -0.141 4.605 4.740 0.010 0.000 0.185 2360 N C 0.936 176.495 175.510 0.082 0.000 1.068 2360 N CA 0.462 53.623 53.050 0.185 0.000 0.911 2360 N CB 0.280 38.916 38.487 0.248 0.000 0.961 2360 N HN 0.543 nan 8.380 nan 0.000 0.446 2361 D N 0.312 120.716 120.400 0.006 0.000 2.234 2361 D HA 0.030 4.676 4.640 0.010 0.000 0.205 2361 D C 1.993 178.286 176.300 -0.012 0.000 0.962 2361 D CA 0.393 54.398 54.000 0.008 0.000 0.855 2361 D CB 0.173 40.969 40.800 -0.008 0.000 0.951 2361 D HN 0.140 nan 8.370 nan 0.000 0.500 2362 L N -0.902 120.276 121.223 -0.074 0.000 2.109 2362 L HA 0.133 4.479 4.340 0.010 0.000 0.207 2362 L C 1.043 177.912 176.870 -0.002 0.000 1.086 2362 L CA 0.449 55.254 54.840 -0.060 0.000 0.760 2362 L CB -0.024 41.955 42.059 -0.134 0.000 0.910 2362 L HN 0.161 nan 8.230 nan 0.000 0.437 2363 M N -0.927 118.688 119.600 0.024 0.000 2.426 2363 M HA 0.316 4.801 4.480 0.010 0.000 0.289 2363 M C -1.840 174.697 176.300 0.394 0.000 1.168 2363 M CA -0.376 55.044 55.300 0.200 0.000 0.933 2363 M CB 2.578 35.361 32.600 0.305 0.000 1.750 2363 M HN -0.147 nan 8.290 nan 0.000 0.494 2364 E N 2.084 122.453 120.200 0.283 0.000 2.352 2364 E HA 0.219 4.575 4.350 0.010 0.000 0.280 2364 E C -1.862 174.815 176.600 0.129 0.000 0.930 2364 E CA -0.521 56.028 56.400 0.248 0.000 0.765 2364 E CB 2.402 32.210 29.700 0.180 0.000 1.219 2364 E HN 0.738 nan 8.360 nan 0.000 0.434 2365 Q N 4.042 123.878 119.800 0.061 0.000 2.452 2365 Q HA 0.146 4.492 4.340 0.010 0.000 0.230 2365 Q C 0.189 176.203 176.000 0.023 0.000 1.180 2365 Q CA -0.166 55.648 55.803 0.018 0.000 0.914 2365 Q CB 0.718 29.437 28.738 -0.031 0.000 1.408 2365 Q HN 0.550 nan 8.270 nan 0.000 0.520 2366 V N 3.541 123.475 119.914 0.033 0.000 2.358 2366 V HA -0.085 4.041 4.120 0.010 0.000 0.246 2366 V C 0.517 176.621 176.094 0.016 0.000 1.047 2366 V CA 1.025 63.343 62.300 0.030 0.000 1.035 2366 V CB 0.462 32.304 31.823 0.032 0.000 0.658 2366 V HN 0.514 nan 8.190 nan 0.000 0.452 2367 V N 0.345 120.265 119.914 0.010 0.000 2.447 2367 V HA 0.719 4.844 4.120 0.010 0.000 0.292 2367 V C 0.122 176.214 176.094 -0.003 0.000 1.021 2367 V CA -0.722 61.581 62.300 0.004 0.000 0.850 2367 V CB 1.057 32.883 31.823 0.006 0.000 1.005 2367 V HN 0.301 nan 8.190 nan 0.000 0.426 2368 A N 6.578 129.392 122.820 -0.009 0.000 2.406 2368 A HA 0.605 4.931 4.320 0.010 0.000 0.243 2368 A C -2.218 175.359 177.584 -0.012 0.000 1.082 2368 A CA -0.923 51.104 52.037 -0.016 0.000 0.786 2368 A CB -0.356 18.631 19.000 -0.022 0.000 1.029 2368 A HN 0.675 nan 8.150 nan 0.000 0.495 2369 P HA 0.196 nan 4.420 nan 0.000 0.260 2369 P C -0.628 176.667 177.300 -0.009 0.000 1.172 2369 P CA 0.637 63.731 63.100 -0.011 0.000 0.760 2369 P CB 0.419 32.110 31.700 -0.014 0.000 0.773 2370 V N 3.263 123.174 119.914 -0.006 0.000 3.114 2370 V HA 0.781 4.907 4.120 0.010 0.000 0.308 2370 V C -0.010 176.082 176.094 -0.004 0.000 1.168 2370 V CA -0.614 61.682 62.300 -0.005 0.000 1.015 2370 V CB 2.232 34.052 31.823 -0.004 0.000 1.050 2370 V HN 0.626 nan 8.190 nan 0.000 0.433 2371 G N 3.556 112.354 108.800 -0.004 0.000 2.491 2371 G HA2 0.430 4.396 3.960 0.010 0.000 0.242 2371 G HA3 0.430 4.396 3.960 0.010 0.000 0.242 2371 G C -0.120 174.778 174.900 -0.002 0.000 1.266 2371 G CA -0.419 44.679 45.100 -0.003 0.000 0.844 2371 G HN 0.888 nan 8.290 nan 0.000 0.571 2372 L N 0.000 121.222 121.223 -0.002 0.000 2.949 2372 L HA 0.000 4.346 4.340 0.010 0.000 0.249 2372 L CA 0.000 54.840 54.840 -0.001 0.000 0.813 2372 L CB 0.000 42.059 42.059 -0.001 0.000 0.961 2372 L HN 0.000 nan 8.230 nan 0.000 0.502