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 2ri9_1_B DATA FIRST_RESID 2036 DATA SEQUENCE SNQAKADAVK EAFQHAWNGY MKYAFPHDEL TPVSNGHADS RNGWGASAVD DATA SEQUENCE ALSTAVIMGK ADVVNAILEH VADIDFSKTS DTVSLFETTI RYLAGMLSGY DATA SEQUENCE DLLQGPAKNL VDNQDLIDGL LDQSRNLADV LKFAFDTPSG VPYNNINITS DATA SEQUENCE HGNDGATTNG LAVTGTLVLE WTRLSDLTGD EEYAKLSQKA ESYLLKPQPS DATA SEQUENCE SSEPFPGLVG SSININDGQF ADSRVSWNGG DDSFYEYLIK MYVYDPKRFE DATA SEQUENCE TYKDRWVLAA ESTIKHLKSH PKSRPDLTFL SSYSNRNYDL SSQHLTcFDG DATA SEQUENCE GSFLLGGTVL DRQDFIDFGL ELVDGcEATY NSTLTKIGPD SWGWDPKKVP DATA SEQUENCE SDQKEFYEKA GFYISSGSYV LRPEVIESFY YAHRVTGKEI YRDWVWNAFV DATA SEQUENCE AINSTCRTDS GFAAVSDVNK ANGGSKYDNQ ESFLFAEVMK YSYLAHSEDA DATA SEQUENCE AWQVQKGGKN TFVYNTEAHP ISVAR 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 2036 S HA 0.000 nan 4.470 nan 0.000 0.327 2036 S C 0.000 174.527 174.600 -0.122 0.000 1.055 2036 S CA 0.000 58.142 58.200 -0.097 0.000 1.107 2036 S CB 0.000 63.128 63.200 -0.120 0.000 0.593 2037 N N 0.983 119.631 118.700 -0.086 0.000 2.133 2037 N HA -0.195 4.550 4.740 0.008 0.000 0.193 2037 N C 1.611 177.106 175.510 -0.026 0.000 1.012 2037 N CA 1.546 54.572 53.050 -0.040 0.000 0.871 2037 N CB -0.165 38.321 38.487 -0.002 0.000 1.011 2037 N HN 0.369 nan 8.380 nan 0.000 0.435 2038 Q N 0.497 120.287 119.800 -0.016 0.000 2.167 2038 Q HA -0.012 4.332 4.340 0.008 0.000 0.202 2038 Q C 1.979 177.988 176.000 0.014 0.000 0.970 2038 Q CA 0.931 56.743 55.803 0.014 0.000 0.855 2038 Q CB -0.064 28.686 28.738 0.019 0.000 0.911 2038 Q HN 0.402 nan 8.270 nan 0.000 0.438 2039 A N 1.090 123.894 122.820 -0.027 0.000 1.832 2039 A HA -0.157 4.168 4.320 0.008 0.000 0.214 2039 A C 2.051 179.606 177.584 -0.048 0.000 1.204 2039 A CA 1.400 53.424 52.037 -0.021 0.000 0.606 2039 A CB -0.394 18.581 19.000 -0.042 0.000 0.849 2039 A HN 0.268 nan 8.150 nan 0.000 0.445 2040 K N -0.114 120.138 120.400 -0.246 0.000 2.127 2040 K HA -0.187 4.138 4.320 0.008 0.000 0.208 2040 K C 2.179 178.696 176.600 -0.139 0.000 1.047 2040 K CA 1.278 57.261 56.287 -0.506 0.000 0.927 2040 K CB -0.367 31.382 32.500 -1.252 0.000 0.716 2040 K HN 0.470 nan 8.250 nan 0.000 0.450 2041 A N 1.665 124.460 122.820 -0.041 0.000 1.930 2041 A HA -0.186 4.139 4.320 0.008 0.000 0.217 2041 A C 1.642 179.371 177.584 0.242 0.000 1.175 2041 A CA 1.657 53.790 52.037 0.159 0.000 0.627 2041 A CB -0.221 18.867 19.000 0.148 0.000 0.815 2041 A HN 0.229 nan 8.150 nan 0.000 0.443 2042 D N -0.237 120.259 120.400 0.161 0.000 2.317 2042 D HA 0.097 4.741 4.640 0.008 0.000 0.211 2042 D C 2.040 178.441 176.300 0.168 0.000 0.966 2042 D CA 0.945 55.033 54.000 0.147 0.000 0.876 2042 D CB 0.020 40.888 40.800 0.114 0.000 0.927 2042 D HN 0.462 nan 8.370 nan 0.000 0.519 2043 A N 0.747 123.695 122.820 0.213 0.000 2.015 2043 A HA -0.070 4.254 4.320 0.008 0.000 0.219 2043 A C 2.403 180.186 177.584 0.333 0.000 1.163 2043 A CA 0.742 52.972 52.037 0.322 0.000 0.646 2043 A CB -0.276 19.040 19.000 0.527 0.000 0.806 2043 A HN 0.099 nan 8.150 nan 0.000 0.448 2044 V N -0.067 119.944 119.914 0.162 0.000 2.535 2044 V HA -0.153 3.972 4.120 0.008 0.000 0.246 2044 V C 2.197 178.345 176.094 0.090 0.000 1.045 2044 V CA 1.874 64.153 62.300 -0.034 0.000 1.058 2044 V CB -0.519 31.157 31.823 -0.246 0.000 0.689 2044 V HN 0.518 nan 8.190 nan 0.000 0.461 2045 K N 0.122 120.546 120.400 0.041 0.000 2.209 2045 K HA -0.171 4.153 4.320 0.008 0.000 0.204 2045 K C 2.169 178.872 176.600 0.172 0.000 1.048 2045 K CA 1.126 57.398 56.287 -0.026 0.000 0.940 2045 K CB -0.080 32.360 32.500 -0.100 0.000 0.729 2045 K HN 0.386 nan 8.250 nan 0.000 0.451 2046 E N 1.309 121.643 120.200 0.224 0.000 2.107 2046 E HA -0.114 4.241 4.350 0.008 0.000 0.191 2046 E C 1.917 178.747 176.600 0.383 0.000 0.982 2046 E CA 0.978 57.541 56.400 0.271 0.000 0.809 2046 E CB 0.060 29.900 29.700 0.234 0.000 0.756 2046 E HN 0.245 nan 8.360 nan 0.000 0.459 2047 A N 0.667 123.759 122.820 0.453 0.000 1.902 2047 A HA -0.169 4.156 4.320 0.008 0.000 0.217 2047 A C 2.093 180.071 177.584 0.657 0.000 1.181 2047 A CA 1.284 53.689 52.037 0.614 0.000 0.623 2047 A CB -0.959 18.436 19.000 0.659 0.000 0.818 2047 A HN 0.436 nan 8.150 nan 0.000 0.443 2048 F N 0.227 120.387 119.950 0.351 0.000 2.146 2048 F HA -0.174 4.358 4.527 0.007 0.000 0.298 2048 F C 2.429 178.484 175.800 0.425 0.000 1.096 2048 F CA 2.162 60.368 58.000 0.345 0.000 1.275 2048 F CB -0.136 38.964 39.000 0.166 0.000 1.008 2048 F HN 0.286 nan 8.300 nan 0.000 0.480 2049 Q N -0.236 119.920 119.800 0.594 0.000 2.079 2049 Q HA -0.242 4.103 4.340 0.008 0.000 0.200 2049 Q C 2.108 178.344 176.000 0.394 0.000 0.974 2049 Q CA 2.134 58.218 55.803 0.469 0.000 0.840 2049 Q CB -0.601 28.348 28.738 0.352 0.000 0.898 2049 Q HN 0.663 nan 8.270 nan 0.000 0.430 2050 H N -0.582 118.663 119.070 0.293 0.000 2.289 2050 H HA -0.103 4.458 4.556 0.008 0.000 0.296 2050 H C 1.560 176.991 175.328 0.171 0.000 1.091 2050 H CA 2.482 58.645 56.048 0.191 0.000 1.274 2050 H CB -0.391 29.457 29.762 0.145 0.000 1.364 2050 H HN 0.293 nan 8.280 nan 0.000 0.490 2051 A N 0.618 123.497 122.820 0.099 0.000 1.968 2051 A HA -0.132 4.193 4.320 0.008 0.000 0.217 2051 A C 2.462 180.232 177.584 0.310 0.000 1.169 2051 A CA 1.050 53.119 52.037 0.052 0.000 0.638 2051 A CB -1.342 17.747 19.000 0.148 0.000 0.812 2051 A HN 0.804 nan 8.150 nan 0.000 0.446 2052 W N 1.276 122.690 121.300 0.191 0.000 2.388 2052 W HA -0.158 4.506 4.660 0.007 0.000 0.294 2052 W C 1.409 177.984 176.519 0.094 0.000 1.212 2052 W CA 1.636 59.039 57.345 0.098 0.000 1.271 2052 W CB -0.231 29.175 29.460 -0.089 0.000 1.126 2052 W HN 0.391 nan 8.180 nan 0.000 0.535 2053 N N 0.430 119.190 118.700 0.099 0.000 2.084 2053 N HA -0.135 4.609 4.740 0.008 0.000 0.190 2053 N C 1.976 177.419 175.510 -0.112 0.000 1.030 2053 N CA 2.067 55.100 53.050 -0.028 0.000 0.849 2053 N CB -1.332 37.180 38.487 0.041 0.000 1.012 2053 N HN 0.229 nan 8.380 nan 0.000 0.423 2054 G N 0.047 108.812 108.800 -0.058 0.000 2.418 2054 G HA2 -0.295 3.669 3.960 0.008 0.000 0.217 2054 G HA3 -0.295 3.669 3.960 0.008 0.000 0.217 2054 G C 1.515 176.465 174.900 0.084 0.000 1.158 2054 G CA 0.709 45.840 45.100 0.052 0.000 0.771 2054 G HN 0.344 nan 8.290 nan 0.000 0.545 2055 Y N 0.903 121.139 120.300 -0.107 0.000 2.097 2055 Y HA -0.138 4.417 4.550 0.007 0.000 0.282 2055 Y C 2.803 178.543 175.900 -0.268 0.000 1.152 2055 Y CA 1.723 59.724 58.100 -0.165 0.000 1.136 2055 Y CB -0.223 38.066 38.460 -0.284 0.000 0.975 2055 Y HN 0.073 nan 8.280 nan 0.000 0.498 2056 M N 0.616 119.793 119.600 -0.705 0.000 2.080 2056 M HA -0.223 4.261 4.480 0.008 0.000 0.260 2056 M C 2.290 178.325 176.300 -0.441 0.000 1.068 2056 M CA 1.944 56.813 55.300 -0.717 0.000 1.109 2056 M CB -1.206 31.003 32.600 -0.651 0.000 1.342 2056 M HN 0.324 nan 8.290 nan 0.000 0.405 2057 K N -0.700 119.468 120.400 -0.386 0.000 2.057 2057 K HA -0.178 4.147 4.320 0.008 0.000 0.206 2057 K C 1.600 177.924 176.600 -0.459 0.000 1.050 2057 K CA 1.566 57.577 56.287 -0.460 0.000 0.935 2057 K CB 0.024 32.128 32.500 -0.659 0.000 0.715 2057 K HN 0.326 nan 8.250 nan 0.000 0.439 2058 Y N -1.633 118.593 120.300 -0.124 0.000 2.507 2058 Y HA 0.275 4.830 4.550 0.007 0.000 0.263 2058 Y C 1.779 177.665 175.900 -0.023 0.000 1.093 2058 Y CA 0.195 58.255 58.100 -0.065 0.000 1.285 2058 Y CB 0.757 39.182 38.460 -0.058 0.000 1.115 2058 Y HN 0.152 nan 8.280 nan 0.000 0.533 2059 A N -0.654 122.182 122.820 0.025 0.000 1.975 2059 A HA 0.137 4.462 4.320 0.008 0.000 0.197 2059 A C 0.178 177.675 177.584 -0.145 0.000 1.537 2059 A CA -0.440 51.621 52.037 0.040 0.000 0.972 2059 A CB -0.725 18.379 19.000 0.173 0.000 1.019 2059 A HN 0.208 nan 8.150 nan 0.000 0.488 2060 F N 3.076 122.549 119.950 -0.796 0.000 2.604 2060 F HA 0.130 4.662 4.527 0.008 0.000 0.390 2060 F C -1.316 174.283 175.800 -0.335 0.000 1.053 2060 F CA -0.389 57.158 58.000 -0.755 0.000 1.256 2060 F CB 0.880 39.331 39.000 -0.914 0.000 0.996 2060 F HN 0.103 nan 8.300 nan 0.000 0.564 2061 P HA 0.056 nan 4.420 nan 0.000 0.254 2061 P C -0.417 176.531 177.300 -0.586 0.000 1.620 2061 P CA 0.081 62.352 63.100 -1.381 0.000 1.050 2061 P CB -0.098 30.734 31.700 -1.448 0.000 1.539 2062 H N 0.834 119.710 119.070 -0.323 0.000 2.730 2062 H HA 0.026 4.586 4.556 0.008 0.000 0.376 2062 H C 1.077 176.408 175.328 0.005 0.000 1.299 2062 H CA 0.226 56.175 56.048 -0.164 0.000 1.447 2062 H CB 0.924 30.578 29.762 -0.180 0.000 1.493 2062 H HN 0.000 nan 8.280 nan 0.000 0.619 2063 D N 0.323 120.815 120.400 0.154 0.000 2.133 2063 D HA -0.130 4.515 4.640 0.008 0.000 0.195 2063 D C 0.873 177.263 176.300 0.151 0.000 0.997 2063 D CA 1.619 55.703 54.000 0.139 0.000 0.840 2063 D CB 0.403 41.262 40.800 0.097 0.000 0.947 2063 D HN 0.628 nan 8.370 nan 0.000 0.452 2064 E N -0.611 119.709 120.200 0.199 0.000 2.416 2064 E HA 0.235 4.590 4.350 0.008 0.000 0.280 2064 E C -1.070 175.678 176.600 0.247 0.000 1.055 2064 E CA -0.904 55.612 56.400 0.194 0.000 0.825 2064 E CB 1.297 31.021 29.700 0.040 0.000 1.312 2064 E HN -0.002 nan 8.360 nan 0.000 0.452 2065 L N 1.315 122.700 121.223 0.269 0.000 2.397 2065 L HA 0.403 4.747 4.340 0.008 0.000 0.271 2065 L C -0.069 176.838 176.870 0.062 0.000 1.148 2065 L CA 0.361 55.323 54.840 0.203 0.000 0.825 2065 L CB 0.983 43.183 42.059 0.235 0.000 1.117 2065 L HN 0.664 nan 8.230 nan 0.000 0.456 2066 T N 3.071 117.624 114.554 -0.001 0.000 2.832 2066 T HA 0.407 4.761 4.350 0.008 0.000 0.313 2066 T C -1.726 172.923 174.700 -0.084 0.000 1.035 2066 T CA -1.586 60.486 62.100 -0.048 0.000 0.950 2066 T CB 0.889 69.707 68.868 -0.083 0.000 0.984 2066 T HN 0.627 nan 8.240 nan 0.000 0.486 2067 P HA -0.051 nan 4.420 nan 0.000 0.225 2067 P C 1.198 178.431 177.300 -0.111 0.000 1.148 2067 P CA 0.334 63.379 63.100 -0.092 0.000 0.779 2067 P CB 0.236 31.900 31.700 -0.060 0.000 0.780 2068 V N 0.542 120.400 119.914 -0.093 0.000 2.795 2068 V HA -0.047 4.077 4.120 0.008 0.000 0.243 2068 V C 2.566 178.585 176.094 -0.124 0.000 1.069 2068 V CA 1.959 64.206 62.300 -0.087 0.000 1.089 2068 V CB -0.757 31.038 31.823 -0.046 0.000 0.756 2068 V HN 0.259 nan 8.190 nan 0.000 0.471 2069 S N -0.939 114.675 115.700 -0.142 0.000 2.548 2069 S HA 0.051 4.526 4.470 0.008 0.000 0.215 2069 S C 0.646 175.090 174.600 -0.260 0.000 0.976 2069 S CA 0.024 58.123 58.200 -0.169 0.000 0.908 2069 S CB -0.289 62.825 63.200 -0.144 0.000 0.781 2069 S HN 0.543 nan 8.310 nan 0.000 0.519 2070 N N 1.727 120.223 118.700 -0.339 0.000 2.696 2070 N HA -0.090 4.655 4.740 0.008 0.000 0.256 2070 N C 0.007 175.258 175.510 -0.432 0.000 1.031 2070 N CA 1.027 53.704 53.050 -0.622 0.000 0.730 2070 N CB -1.462 36.372 38.487 -1.089 0.000 0.894 2070 N HN 0.755 nan 8.380 nan 0.000 0.544 2071 G N -0.993 107.657 108.800 -0.249 0.000 3.183 2071 G HA2 0.725 4.690 3.960 0.008 0.000 0.247 2071 G HA3 0.725 4.690 3.960 0.008 0.000 0.247 2071 G C -0.743 174.059 174.900 -0.163 0.000 1.211 2071 G CA -0.362 44.594 45.100 -0.241 0.000 0.835 2071 G HN 0.540 nan 8.290 nan 0.000 0.604 2072 H N -2.104 116.892 119.070 -0.124 0.000 2.946 2072 H HA 0.890 5.451 4.556 0.008 0.000 0.365 2072 H C -0.415 174.815 175.328 -0.164 0.000 1.197 2072 H CA -0.766 55.195 56.048 -0.144 0.000 1.131 2072 H CB 1.602 31.185 29.762 -0.299 0.000 1.849 2072 H HN 0.929 nan 8.280 nan 0.000 0.555 2073 A N 0.335 123.224 122.820 0.115 0.000 2.593 2073 A HA 0.556 4.880 4.320 0.008 0.000 0.290 2073 A C -1.639 176.004 177.584 0.099 0.000 1.126 2073 A CA -0.811 51.270 52.037 0.073 0.000 0.695 2073 A CB 1.440 20.454 19.000 0.024 0.000 1.290 2073 A HN 0.808 nan 8.150 nan 0.000 0.414 2074 D N 1.660 122.100 120.400 0.067 0.000 2.468 2074 D HA 0.223 4.867 4.640 0.008 0.000 0.272 2074 D C 0.536 176.841 176.300 0.009 0.000 1.221 2074 D CA 0.406 54.436 54.000 0.049 0.000 0.860 2074 D CB 1.136 41.963 40.800 0.044 0.000 1.190 2074 D HN 0.531 nan 8.370 nan 0.000 0.509 2075 S N 0.361 116.070 115.700 0.016 0.000 2.575 2075 S HA 0.058 4.533 4.470 0.008 0.000 0.215 2075 S C 0.993 175.605 174.600 0.020 0.000 0.966 2075 S CA -0.129 58.077 58.200 0.010 0.000 0.911 2075 S CB 0.416 63.623 63.200 0.011 0.000 0.780 2075 S HN 0.149 nan 8.310 nan 0.000 0.514 2076 R N 1.468 121.985 120.500 0.029 0.000 2.989 2076 R HA 0.322 4.666 4.340 0.008 0.000 0.340 2076 R C -0.625 175.638 176.300 -0.062 0.000 1.205 2076 R CA -0.082 56.077 56.100 0.097 0.000 1.235 2076 R CB -0.740 29.695 30.300 0.225 0.000 1.394 2076 R HN 0.432 nan 8.270 nan 0.000 0.598 2077 N N 0.261 118.799 118.700 -0.270 0.000 2.732 2077 N HA -0.261 4.484 4.740 0.008 0.000 0.250 2077 N C 0.841 175.818 175.510 -0.888 0.000 1.097 2077 N CA 1.198 53.846 53.050 -0.670 0.000 0.812 2077 N CB -0.761 37.021 38.487 -1.174 0.000 1.148 2077 N HN 0.713 nan 8.380 nan 0.000 0.572 2078 G N -2.027 106.491 108.800 -0.470 0.000 2.184 2078 G HA2 -0.316 3.648 3.960 0.008 0.000 0.264 2078 G HA3 -0.316 3.648 3.960 0.008 0.000 0.264 2078 G C 0.428 175.144 174.900 -0.306 0.000 0.975 2078 G CA 0.425 45.307 45.100 -0.363 0.000 0.642 2078 G HN 0.430 nan 8.290 nan 0.000 0.536 2079 W N 0.849 122.084 121.300 -0.109 0.000 3.292 2079 W HA 0.457 5.122 4.660 0.007 0.000 0.263 2079 W C 1.471 178.061 176.519 0.118 0.000 1.318 2079 W CA 0.205 57.421 57.345 -0.215 0.000 1.663 2079 W CB -0.831 28.191 29.460 -0.729 0.000 1.114 2079 W HN 1.379 nan 8.180 nan 0.000 0.706 2080 G N 0.711 109.688 108.800 0.296 0.000 2.452 2080 G HA2 -0.122 3.843 3.960 0.008 0.000 0.275 2080 G HA3 -0.122 3.843 3.960 0.008 0.000 0.275 2080 G C 1.155 176.245 174.900 0.317 0.000 1.131 2080 G CA 0.117 45.357 45.100 0.232 0.000 1.031 2080 G HN 0.316 nan 8.290 nan 0.000 0.511 2081 A N 0.105 123.094 122.820 0.282 0.000 1.917 2081 A HA 0.047 4.371 4.320 0.008 0.000 0.219 2081 A C 2.707 180.280 177.584 -0.018 0.000 1.182 2081 A CA 2.796 54.856 52.037 0.038 0.000 0.633 2081 A CB -0.503 18.486 19.000 -0.019 0.000 0.819 2081 A HN 1.241 nan 8.150 nan 0.000 0.448 2082 S N -0.481 115.178 115.700 -0.068 0.000 2.402 2082 S HA 0.071 4.546 4.470 0.008 0.000 0.229 2082 S C 2.247 176.723 174.600 -0.206 0.000 1.021 2082 S CA 0.971 59.033 58.200 -0.230 0.000 0.974 2082 S CB -0.365 62.438 63.200 -0.661 0.000 0.800 2082 S HN 0.801 nan 8.310 nan 0.000 0.484 2083 A N 1.143 123.968 122.820 0.007 0.000 1.873 2083 A HA -0.013 4.311 4.320 0.008 0.000 0.215 2083 A C 2.295 180.028 177.584 0.248 0.000 1.186 2083 A CA 1.396 53.625 52.037 0.320 0.000 0.616 2083 A CB -0.832 18.388 19.000 0.367 0.000 0.823 2083 A HN 0.341 nan 8.150 nan 0.000 0.442 2084 V N 0.285 120.338 119.914 0.231 0.000 2.548 2084 V HA -0.176 3.949 4.120 0.008 0.000 0.249 2084 V C 2.087 178.243 176.094 0.104 0.000 1.055 2084 V CA 2.229 64.648 62.300 0.199 0.000 1.065 2084 V CB -0.713 31.283 31.823 0.288 0.000 0.681 2084 V HN 0.484 nan 8.190 nan 0.000 0.462 2085 D N 0.125 120.587 120.400 0.103 0.000 2.269 2085 D HA -0.006 4.638 4.640 0.008 0.000 0.208 2085 D C 2.034 178.492 176.300 0.264 0.000 0.963 2085 D CA 1.164 55.293 54.000 0.214 0.000 0.864 2085 D CB 0.025 40.920 40.800 0.158 0.000 0.936 2085 D HN 0.410 nan 8.370 nan 0.000 0.505 2086 A N -0.171 122.737 122.820 0.146 0.000 2.123 2086 A HA 0.031 4.356 4.320 0.008 0.000 0.214 2086 A C 1.902 179.520 177.584 0.055 0.000 1.152 2086 A CA 0.179 52.294 52.037 0.130 0.000 0.728 2086 A CB -0.333 18.577 19.000 -0.150 0.000 0.814 2086 A HN 0.246 nan 8.150 nan 0.000 0.464 2087 L N 1.198 122.433 121.223 0.020 0.000 1.971 2087 L HA -0.242 4.103 4.340 0.008 0.000 0.215 2087 L C 2.806 179.631 176.870 -0.075 0.000 1.072 2087 L CA 3.088 57.902 54.840 -0.044 0.000 0.758 2087 L CB -0.894 41.151 42.059 -0.022 0.000 0.889 2087 L HN 0.502 nan 8.230 nan 0.000 0.433 2088 S N -2.798 112.883 115.700 -0.032 0.000 2.400 2088 S HA -0.197 4.278 4.470 0.008 0.000 0.232 2088 S C 1.811 176.314 174.600 -0.162 0.000 1.025 2088 S CA 1.626 59.784 58.200 -0.071 0.000 0.993 2088 S CB -1.243 61.988 63.200 0.053 0.000 0.808 2088 S HN 0.589 nan 8.310 nan 0.000 0.478 2089 T N 2.244 116.731 114.554 -0.112 0.000 2.857 2089 T HA 0.236 4.591 4.350 0.008 0.000 0.266 2089 T C 2.214 176.631 174.700 -0.471 0.000 1.048 2089 T CA 1.084 63.036 62.100 -0.246 0.000 1.139 2089 T CB -0.632 68.189 68.868 -0.078 0.000 0.874 2089 T HN 0.623 nan 8.240 nan 0.000 0.455 2090 A N 1.169 123.749 122.820 -0.398 0.000 1.898 2090 A HA -0.011 4.314 4.320 0.008 0.000 0.216 2090 A C 2.550 179.902 177.584 -0.386 0.000 1.181 2090 A CA 1.162 52.909 52.037 -0.485 0.000 0.620 2090 A CB -1.003 17.791 19.000 -0.344 0.000 0.819 2090 A HN 0.330 nan 8.150 nan 0.000 0.442 2091 V N 0.477 120.208 119.914 -0.304 0.000 2.255 2091 V HA -0.306 3.819 4.120 0.008 0.000 0.247 2091 V C 2.386 178.251 176.094 -0.382 0.000 1.051 2091 V CA 2.180 64.322 62.300 -0.264 0.000 1.018 2091 V CB -0.761 30.938 31.823 -0.207 0.000 0.641 2091 V HN 0.580 nan 8.190 nan 0.000 0.445 2092 I N -0.821 119.399 120.570 -0.585 0.000 2.567 2092 I HA -0.252 3.922 4.170 0.008 0.000 0.257 2092 I C 2.184 178.025 176.117 -0.459 0.000 1.184 2092 I CA 1.614 62.360 61.300 -0.923 0.000 1.451 2092 I CB -0.177 37.216 38.000 -1.011 0.000 1.089 2092 I HN 0.335 nan 8.210 nan 0.000 0.441 2093 M N -0.520 118.811 119.600 -0.448 0.000 2.502 2093 M HA 0.204 4.688 4.480 0.008 0.000 0.243 2093 M C 1.275 177.435 176.300 -0.232 0.000 1.130 2093 M CA 0.512 55.538 55.300 -0.457 0.000 1.055 2093 M CB 0.572 32.691 32.600 -0.801 0.000 1.457 2093 M HN 0.333 nan 8.290 nan 0.000 0.488 2094 G N 1.997 110.685 108.800 -0.187 0.000 2.160 2094 G HA2 -0.251 3.714 3.960 0.008 0.000 0.244 2094 G HA3 -0.251 3.714 3.960 0.008 0.000 0.244 2094 G C -0.228 174.606 174.900 -0.110 0.000 1.022 2094 G CA -0.100 44.946 45.100 -0.090 0.000 0.741 2094 G HN 0.452 nan 8.290 nan 0.000 0.508 2095 K N 0.465 120.759 120.400 -0.176 0.000 2.184 2095 K HA 0.591 4.916 4.320 0.008 0.000 0.259 2095 K C 1.704 178.228 176.600 -0.127 0.000 1.119 2095 K CA 0.118 56.315 56.287 -0.150 0.000 0.991 2095 K CB 0.837 33.217 32.500 -0.200 0.000 1.522 2095 K HN 0.345 nan 8.250 nan 0.000 0.405 2096 A N 3.174 125.947 122.820 -0.079 0.000 1.908 2096 A HA -0.234 4.091 4.320 0.008 0.000 0.218 2096 A C 1.528 179.077 177.584 -0.059 0.000 1.181 2096 A CA 1.666 53.666 52.037 -0.061 0.000 0.627 2096 A CB -0.139 18.841 19.000 -0.034 0.000 0.818 2096 A HN 0.675 nan 8.150 nan 0.000 0.445 2097 D N -0.044 120.326 120.400 -0.049 0.000 2.104 2097 D HA -0.133 4.512 4.640 0.008 0.000 0.194 2097 D C 2.104 178.372 176.300 -0.053 0.000 0.994 2097 D CA 1.782 55.764 54.000 -0.031 0.000 0.830 2097 D CB -0.533 40.263 40.800 -0.006 0.000 0.959 2097 D HN 0.297 nan 8.370 nan 0.000 0.452 2098 V N 1.505 121.340 119.914 -0.132 0.000 2.261 2098 V HA -0.212 3.913 4.120 0.008 0.000 0.246 2098 V C 2.850 178.811 176.094 -0.222 0.000 1.047 2098 V CA 1.083 63.209 62.300 -0.290 0.000 1.015 2098 V CB -0.681 30.804 31.823 -0.564 0.000 0.642 2098 V HN 0.029 nan 8.190 nan 0.000 0.446 2099 V N 0.773 120.578 119.914 -0.182 0.000 2.282 2099 V HA -0.312 3.813 4.120 0.008 0.000 0.249 2099 V C 2.385 178.448 176.094 -0.051 0.000 1.057 2099 V CA 2.394 64.621 62.300 -0.121 0.000 1.032 2099 V CB -0.900 30.858 31.823 -0.109 0.000 0.645 2099 V HN 0.580 nan 8.190 nan 0.000 0.447 2100 N N 0.172 118.851 118.700 -0.035 0.000 2.120 2100 N HA -0.114 4.631 4.740 0.008 0.000 0.188 2100 N C 1.912 177.440 175.510 0.030 0.000 1.024 2100 N CA 1.641 54.690 53.050 -0.003 0.000 0.852 2100 N CB -0.354 38.129 38.487 -0.006 0.000 1.003 2100 N HN 0.507 nan 8.380 nan 0.000 0.424 2101 A N 1.134 123.975 122.820 0.034 0.000 1.972 2101 A HA -0.063 4.262 4.320 0.008 0.000 0.219 2101 A C 2.280 179.958 177.584 0.156 0.000 1.169 2101 A CA 0.845 52.920 52.037 0.064 0.000 0.635 2101 A CB -0.506 18.523 19.000 0.047 0.000 0.810 2101 A HN 0.217 nan 8.150 nan 0.000 0.446 2102 I N -0.634 120.030 120.570 0.157 0.000 2.353 2102 I HA -0.197 3.978 4.170 0.008 0.000 0.248 2102 I C 2.302 178.551 176.117 0.219 0.000 1.119 2102 I CA 0.750 62.197 61.300 0.244 0.000 1.417 2102 I CB -0.277 37.809 38.000 0.143 0.000 1.078 2102 I HN 0.284 nan 8.210 nan 0.000 0.421 2103 L N 0.343 121.637 121.223 0.119 0.000 2.012 2103 L HA -0.218 4.126 4.340 0.008 0.000 0.210 2103 L C 2.713 179.647 176.870 0.106 0.000 1.073 2103 L CA 1.307 56.200 54.840 0.088 0.000 0.748 2103 L CB -0.648 41.432 42.059 0.036 0.000 0.891 2103 L HN 0.249 nan 8.230 nan 0.000 0.431 2104 E N -0.601 119.670 120.200 0.118 0.000 2.058 2104 E HA -0.289 4.066 4.350 0.008 0.000 0.194 2104 E C 2.025 178.720 176.600 0.158 0.000 0.997 2104 E CA 1.661 58.131 56.400 0.117 0.000 0.801 2104 E CB -0.520 29.247 29.700 0.113 0.000 0.746 2104 E HN 0.563 nan 8.360 nan 0.000 0.450 2105 H N 0.933 120.112 119.070 0.181 0.000 2.319 2105 H HA -0.084 4.477 4.556 0.008 0.000 0.299 2105 H C 2.067 177.483 175.328 0.148 0.000 1.092 2105 H CA 1.866 58.048 56.048 0.223 0.000 1.302 2105 H CB -0.305 29.690 29.762 0.388 0.000 1.373 2105 H HN 0.029 nan 8.280 nan 0.000 0.497 2106 V N 0.501 120.417 119.914 0.003 0.000 2.594 2106 V HA -0.151 3.974 4.120 0.008 0.000 0.253 2106 V C 2.355 178.430 176.094 -0.031 0.000 1.069 2106 V CA 1.722 64.007 62.300 -0.024 0.000 1.082 2106 V CB -1.198 30.708 31.823 0.138 0.000 0.680 2106 V HN 0.695 nan 8.190 nan 0.000 0.469 2107 A N -0.101 122.715 122.820 -0.007 0.000 1.883 2107 A HA -0.242 4.083 4.320 0.008 0.000 0.217 2107 A C 1.945 179.509 177.584 -0.033 0.000 1.186 2107 A CA 2.079 54.115 52.037 -0.001 0.000 0.624 2107 A CB -0.677 18.333 19.000 0.016 0.000 0.822 2107 A HN 0.662 nan 8.150 nan 0.000 0.444 2108 D N -0.333 120.023 120.400 -0.073 0.000 2.317 2108 D HA 0.089 4.734 4.640 0.008 0.000 0.211 2108 D C 0.714 176.927 176.300 -0.145 0.000 0.966 2108 D CA 0.157 54.106 54.000 -0.084 0.000 0.876 2108 D CB -0.151 40.617 40.800 -0.053 0.000 0.927 2108 D HN 0.458 nan 8.370 nan 0.000 0.519 2109 I N 1.207 121.630 120.570 -0.245 0.000 2.892 2109 I HA -0.092 4.083 4.170 0.008 0.000 0.287 2109 I C 0.389 176.378 176.117 -0.213 0.000 1.205 2109 I CA 0.547 61.654 61.300 -0.323 0.000 1.409 2109 I CB 0.352 38.041 38.000 -0.517 0.000 1.367 2109 I HN -0.236 nan 8.210 nan 0.000 0.597 2110 D N 4.320 124.568 120.400 -0.253 0.000 2.378 2110 D HA 0.265 4.910 4.640 0.008 0.000 0.265 2110 D C 0.168 176.347 176.300 -0.201 0.000 1.229 2110 D CA -0.425 53.503 54.000 -0.120 0.000 0.914 2110 D CB 0.281 41.063 40.800 -0.029 0.000 1.140 2110 D HN 0.229 nan 8.370 nan 0.000 0.516 2111 F N 1.040 120.721 119.950 -0.448 0.000 2.724 2111 F HA -0.048 4.483 4.527 0.008 0.000 0.297 2111 F C 2.416 178.058 175.800 -0.263 0.000 1.200 2111 F CA 0.605 58.100 58.000 -0.842 0.000 1.468 2111 F CB -0.450 37.959 39.000 -0.986 0.000 1.116 2111 F HN 0.313 nan 8.300 nan 0.000 0.599 2112 S N -1.852 113.900 115.700 0.087 0.000 2.478 2112 S HA 0.017 4.491 4.470 0.008 0.000 0.222 2112 S C 0.865 175.587 174.600 0.203 0.000 1.008 2112 S CA 0.084 58.369 58.200 0.142 0.000 0.928 2112 S CB 0.188 63.446 63.200 0.096 0.000 0.781 2112 S HN 0.083 nan 8.310 nan 0.000 0.518 2113 K N 1.170 121.715 120.400 0.240 0.000 2.397 2113 K HA 0.607 4.932 4.320 0.008 0.000 0.253 2113 K C -1.445 175.283 176.600 0.213 0.000 0.932 2113 K CA -0.022 56.383 56.287 0.197 0.000 0.795 2113 K CB 1.995 34.557 32.500 0.104 0.000 1.159 2113 K HN 0.203 nan 8.250 nan 0.000 0.424 2114 T N 0.552 115.170 114.554 0.107 0.000 2.853 2114 T HA 0.342 4.697 4.350 0.008 0.000 0.311 2114 T C -0.087 174.584 174.700 -0.047 0.000 1.307 2114 T CA -0.335 61.725 62.100 -0.066 0.000 1.019 2114 T CB 1.194 69.942 68.868 -0.201 0.000 1.264 2114 T HN 0.395 nan 8.240 nan 0.000 0.497 2115 S N 1.396 117.039 115.700 -0.094 0.000 2.540 2115 S HA 0.292 4.767 4.470 0.008 0.000 0.218 2115 S C -0.001 174.572 174.600 -0.045 0.000 0.977 2115 S CA -0.265 57.903 58.200 -0.054 0.000 0.918 2115 S CB 0.145 63.312 63.200 -0.055 0.000 0.806 2115 S HN 0.634 nan 8.310 nan 0.000 0.496 2116 D N 1.214 121.575 120.400 -0.064 0.000 2.414 2116 D HA 0.260 4.905 4.640 0.008 0.000 0.241 2116 D C -0.027 176.270 176.300 -0.005 0.000 1.008 2116 D CA -0.221 53.756 54.000 -0.038 0.000 1.001 2116 D CB 1.405 42.171 40.800 -0.056 0.000 1.277 2116 D HN 0.001 nan 8.370 nan 0.000 0.538 2117 T N -0.725 113.839 114.554 0.017 0.000 2.898 2117 T HA 0.381 4.735 4.350 0.008 0.000 0.301 2117 T C -0.101 174.637 174.700 0.064 0.000 1.049 2117 T CA -0.494 61.636 62.100 0.050 0.000 1.095 2117 T CB 0.583 69.476 68.868 0.041 0.000 0.976 2117 T HN 0.249 nan 8.240 nan 0.000 0.539 2118 V N 1.954 121.934 119.914 0.109 0.000 2.815 2118 V HA 0.803 4.928 4.120 0.008 0.000 0.314 2118 V C -0.107 176.072 176.094 0.142 0.000 1.064 2118 V CA -0.844 61.538 62.300 0.136 0.000 0.952 2118 V CB 1.859 33.805 31.823 0.206 0.000 1.020 2118 V HN 0.916 nan 8.190 nan 0.000 0.439 2119 S N 2.769 118.567 115.700 0.164 0.000 2.438 2119 S HA 0.416 4.890 4.470 0.008 0.000 0.293 2119 S C 0.519 175.237 174.600 0.197 0.000 1.141 2119 S CA -0.542 57.764 58.200 0.177 0.000 1.080 2119 S CB 0.950 64.269 63.200 0.198 0.000 0.978 2119 S HN 1.013 nan 8.310 nan 0.000 0.479 2120 L N 6.888 128.213 121.223 0.169 0.000 2.056 2120 L HA 0.109 4.454 4.340 0.008 0.000 0.207 2120 L C 1.696 178.724 176.870 0.263 0.000 1.078 2120 L CA 1.934 56.877 54.840 0.172 0.000 0.749 2120 L CB -1.167 40.911 42.059 0.032 0.000 0.901 2120 L HN 0.873 nan 8.230 nan 0.000 0.433 2121 F N 0.274 120.288 119.950 0.108 0.000 2.069 2121 F HA -0.215 4.317 4.527 0.008 0.000 0.298 2121 F C 2.338 178.231 175.800 0.156 0.000 1.113 2121 F CA 1.895 59.964 58.000 0.116 0.000 1.214 2121 F CB -0.151 38.881 39.000 0.054 0.000 0.978 2121 F HN 0.111 nan 8.300 nan 0.000 0.474 2122 E N 0.130 120.242 120.200 -0.146 0.000 2.077 2122 E HA -0.161 4.194 4.350 0.008 0.000 0.193 2122 E C 2.217 178.826 176.600 0.015 0.000 0.989 2122 E CA 1.903 58.170 56.400 -0.223 0.000 0.800 2122 E CB -0.774 28.935 29.700 0.016 0.000 0.746 2122 E HN 0.462 nan 8.360 nan 0.000 0.452 2123 T N 0.605 115.276 114.554 0.194 0.000 2.867 2123 T HA -0.069 4.286 4.350 0.008 0.000 0.268 2123 T C 1.954 176.814 174.700 0.266 0.000 1.057 2123 T CA 1.462 63.786 62.100 0.373 0.000 1.136 2123 T CB -0.207 68.901 68.868 0.400 0.000 0.874 2123 T HN 0.132 nan 8.240 nan 0.000 0.466 2124 T N 2.796 117.462 114.554 0.186 0.000 2.732 2124 T HA 0.047 4.402 4.350 0.008 0.000 0.261 2124 T C 2.081 176.847 174.700 0.110 0.000 1.040 2124 T CA 1.235 63.441 62.100 0.177 0.000 1.145 2124 T CB -0.369 68.719 68.868 0.367 0.000 0.866 2124 T HN 0.631 nan 8.240 nan 0.000 0.427 2125 I N -0.545 120.040 120.570 0.025 0.000 2.614 2125 I HA -0.023 4.151 4.170 0.008 0.000 0.258 2125 I C 2.285 178.459 176.117 0.095 0.000 1.189 2125 I CA 1.266 62.589 61.300 0.039 0.000 1.462 2125 I CB -0.205 37.722 38.000 -0.122 0.000 1.092 2125 I HN 0.068 nan 8.210 nan 0.000 0.442 2126 R N -0.014 120.515 120.500 0.048 0.000 2.056 2126 R HA 0.123 4.468 4.340 0.008 0.000 0.215 2126 R C 2.212 178.507 176.300 -0.008 0.000 1.205 2126 R CA 0.999 57.119 56.100 0.034 0.000 1.020 2126 R CB -0.736 29.485 30.300 -0.131 0.000 0.911 2126 R HN 0.291 nan 8.270 nan 0.000 0.451 2127 Y N 1.090 121.476 120.300 0.143 0.000 2.153 2127 Y HA -0.183 4.371 4.550 0.008 0.000 0.289 2127 Y C 2.361 178.231 175.900 -0.049 0.000 1.127 2127 Y CA 0.826 59.000 58.100 0.123 0.000 1.131 2127 Y CB -0.231 38.374 38.460 0.240 0.000 0.995 2127 Y HN -0.003 nan 8.280 nan 0.000 0.505 2128 L N 0.292 121.543 121.223 0.046 0.000 1.976 2128 L HA -0.142 4.203 4.340 0.008 0.000 0.209 2128 L C 2.403 179.195 176.870 -0.131 0.000 1.071 2128 L CA 2.116 56.864 54.840 -0.153 0.000 0.746 2128 L CB -1.347 40.554 42.059 -0.262 0.000 0.890 2128 L HN 0.166 nan 8.230 nan 0.000 0.432 2129 A N -0.615 122.175 122.820 -0.051 0.000 1.908 2129 A HA -0.123 4.202 4.320 0.008 0.000 0.218 2129 A C 2.330 179.778 177.584 -0.226 0.000 1.181 2129 A CA 1.700 53.716 52.037 -0.035 0.000 0.627 2129 A CB -1.612 17.480 19.000 0.154 0.000 0.818 2129 A HN 0.557 nan 8.150 nan 0.000 0.445 2130 G N -0.884 107.686 108.800 -0.383 0.000 2.432 2130 G HA2 -0.190 3.774 3.960 0.008 0.000 0.219 2130 G HA3 -0.190 3.774 3.960 0.008 0.000 0.219 2130 G C 1.604 176.311 174.900 -0.323 0.000 1.135 2130 G CA 1.193 45.838 45.100 -0.758 0.000 0.767 2130 G HN 0.501 nan 8.290 nan 0.000 0.550 2131 M N -0.312 119.196 119.600 -0.153 0.000 2.248 2131 M HA 0.210 4.695 4.480 0.008 0.000 0.265 2131 M C 2.510 178.781 176.300 -0.048 0.000 1.079 2131 M CA 0.647 55.906 55.300 -0.070 0.000 1.150 2131 M CB -0.274 32.282 32.600 -0.072 0.000 1.366 2131 M HN 0.116 nan 8.290 nan 0.000 0.433 2132 L N -0.718 120.448 121.223 -0.096 0.000 2.017 2132 L HA -0.195 4.149 4.340 0.008 0.000 0.208 2132 L C 2.762 179.639 176.870 0.012 0.000 1.073 2132 L CA 1.324 56.125 54.840 -0.065 0.000 0.745 2132 L CB -0.859 41.125 42.059 -0.124 0.000 0.894 2132 L HN 0.322 nan 8.230 nan 0.000 0.432 2133 S N 0.115 115.794 115.700 -0.036 0.000 2.383 2133 S HA -0.148 4.327 4.470 0.008 0.000 0.229 2133 S C 1.998 176.615 174.600 0.028 0.000 1.030 2133 S CA 1.394 59.600 58.200 0.010 0.000 1.002 2133 S CB -0.455 62.717 63.200 -0.046 0.000 0.829 2133 S HN 0.532 nan 8.310 nan 0.000 0.467 2134 G N -0.513 108.279 108.800 -0.013 0.000 2.418 2134 G HA2 -0.181 3.783 3.960 0.008 0.000 0.217 2134 G HA3 -0.181 3.783 3.960 0.008 0.000 0.217 2134 G C 1.205 176.144 174.900 0.065 0.000 1.158 2134 G CA 0.935 46.035 45.100 0.000 0.000 0.771 2134 G HN 0.580 nan 8.290 nan 0.000 0.545 2135 Y N 1.972 122.260 120.300 -0.019 0.000 2.034 2135 Y HA -0.181 4.374 4.550 0.008 0.000 0.269 2135 Y C 2.696 178.622 175.900 0.042 0.000 1.125 2135 Y CA 2.123 60.223 58.100 0.001 0.000 1.097 2135 Y CB -0.419 38.032 38.460 -0.017 0.000 0.978 2135 Y HN 0.183 nan 8.280 nan 0.000 0.480 2136 D N 0.170 120.817 120.400 0.411 0.000 2.126 2136 D HA -0.255 4.390 4.640 0.008 0.000 0.190 2136 D C 2.404 178.895 176.300 0.318 0.000 1.001 2136 D CA 2.018 56.229 54.000 0.350 0.000 0.841 2136 D CB -0.719 40.283 40.800 0.336 0.000 0.949 2136 D HN 0.399 nan 8.370 nan 0.000 0.446 2137 L N 0.112 121.486 121.223 0.252 0.000 1.970 2137 L HA -0.197 4.148 4.340 0.008 0.000 0.212 2137 L C 2.733 179.684 176.870 0.135 0.000 1.071 2137 L CA 0.969 55.914 54.840 0.176 0.000 0.751 2137 L CB -0.504 41.574 42.059 0.032 0.000 0.889 2137 L HN 0.053 nan 8.230 nan 0.000 0.432 2138 L N -0.877 120.382 121.223 0.060 0.000 1.994 2138 L HA -0.226 4.119 4.340 0.008 0.000 0.208 2138 L C 2.457 179.329 176.870 0.004 0.000 1.071 2138 L CA 1.039 55.884 54.840 0.009 0.000 0.745 2138 L CB -0.432 41.594 42.059 -0.055 0.000 0.892 2138 L HN 0.267 nan 8.230 nan 0.000 0.431 2139 Q N -0.011 119.777 119.800 -0.020 0.000 2.557 2139 Q HA -0.017 4.328 4.340 0.008 0.000 0.217 2139 Q C 0.798 176.843 176.000 0.074 0.000 0.978 2139 Q CA 1.013 56.804 55.803 -0.019 0.000 0.950 2139 Q CB 0.110 28.825 28.738 -0.037 0.000 0.991 2139 Q HN 0.481 nan 8.270 nan 0.000 0.533 2140 G N -0.769 108.100 108.800 0.114 0.000 3.193 2140 G HA2 0.112 4.076 3.960 0.008 0.000 0.186 2140 G HA3 0.112 4.076 3.960 0.008 0.000 0.186 2140 G C -1.908 173.075 174.900 0.138 0.000 1.536 2140 G CA 0.117 45.301 45.100 0.140 0.000 0.943 2140 G HN 0.171 nan 8.290 nan 0.000 0.781 2141 P HA 0.099 nan 4.420 nan 0.000 0.229 2141 P C 0.410 177.802 177.300 0.153 0.000 1.150 2141 P CA 1.779 64.964 63.100 0.141 0.000 0.765 2141 P CB 0.260 32.059 31.700 0.165 0.000 0.783 2142 A N -0.632 122.287 122.820 0.166 0.000 2.843 2142 A HA 0.222 4.546 4.320 0.008 0.000 0.248 2142 A C 1.593 179.221 177.584 0.075 0.000 0.904 2142 A CA -0.468 51.657 52.037 0.146 0.000 1.091 2142 A CB -0.298 18.810 19.000 0.180 0.000 1.208 2142 A HN -0.074 nan 8.150 nan 0.000 0.476 2143 K N 0.504 120.939 120.400 0.059 0.000 2.147 2143 K HA -0.064 4.261 4.320 0.008 0.000 0.205 2143 K C -0.119 176.490 176.600 0.015 0.000 1.049 2143 K CA 1.104 57.408 56.287 0.028 0.000 0.936 2143 K CB 0.009 32.525 32.500 0.026 0.000 0.722 2143 K HN 0.496 nan 8.250 nan 0.000 0.446 2144 N N 1.284 119.998 118.700 0.023 0.000 3.040 2144 N HA 0.059 4.804 4.740 0.008 0.000 0.305 2144 N C -0.024 175.497 175.510 0.018 0.000 1.611 2144 N CA 0.052 53.111 53.050 0.015 0.000 1.049 2144 N CB 1.380 39.876 38.487 0.014 0.000 1.342 2144 N HN 0.144 nan 8.380 nan 0.000 0.497 2145 L N -0.325 120.905 121.223 0.012 0.000 2.663 2145 L HA 0.375 4.720 4.340 0.008 0.000 0.218 2145 L C -0.356 176.509 176.870 -0.008 0.000 1.043 2145 L CA 0.813 55.657 54.840 0.006 0.000 0.876 2145 L CB 0.768 42.831 42.059 0.007 0.000 1.263 2145 L HN -0.139 nan 8.230 nan 0.000 0.486 2146 V N 1.595 121.502 119.914 -0.013 0.000 2.376 2146 V HA 0.259 4.384 4.120 0.008 0.000 0.287 2146 V C 0.557 176.641 176.094 -0.017 0.000 1.015 2146 V CA -0.542 61.747 62.300 -0.018 0.000 0.834 2146 V CB 1.267 33.074 31.823 -0.027 0.000 1.001 2146 V HN 0.207 nan 8.190 nan 0.000 0.428 2147 D N 3.571 123.963 120.400 -0.012 0.000 2.097 2147 D HA -0.139 4.506 4.640 0.008 0.000 0.195 2147 D C 1.172 177.463 176.300 -0.016 0.000 0.989 2147 D CA 0.979 54.972 54.000 -0.012 0.000 0.827 2147 D CB 0.166 40.961 40.800 -0.007 0.000 0.966 2147 D HN 0.572 nan 8.370 nan 0.000 0.456 2148 N N 1.536 120.227 118.700 -0.016 0.000 2.381 2148 N HA -0.141 4.604 4.740 0.008 0.000 0.288 2148 N C 0.866 176.359 175.510 -0.029 0.000 1.346 2148 N CA 0.251 53.291 53.050 -0.018 0.000 0.970 2148 N CB 0.910 39.390 38.487 -0.012 0.000 1.351 2148 N HN 0.167 nan 8.380 nan 0.000 0.488 2149 Q N 3.099 122.880 119.800 -0.032 0.000 2.083 2149 Q HA -0.068 4.277 4.340 0.008 0.000 0.198 2149 Q C 0.789 176.757 176.000 -0.054 0.000 0.969 2149 Q CA 1.469 57.242 55.803 -0.050 0.000 0.838 2149 Q CB 0.056 28.769 28.738 -0.041 0.000 0.900 2149 Q HN 0.532 nan 8.270 nan 0.000 0.436 2150 D N 0.005 120.385 120.400 -0.033 0.000 2.203 2150 D HA -0.191 4.454 4.640 0.008 0.000 0.199 2150 D C 1.700 177.983 176.300 -0.029 0.000 0.997 2150 D CA 1.363 55.347 54.000 -0.026 0.000 0.863 2150 D CB 0.100 40.892 40.800 -0.013 0.000 0.928 2150 D HN 0.372 nan 8.370 nan 0.000 0.458 2151 L N 0.428 121.633 121.223 -0.030 0.000 2.095 2151 L HA -0.024 4.321 4.340 0.008 0.000 0.204 2151 L C 2.544 179.382 176.870 -0.053 0.000 1.080 2151 L CA 0.397 55.222 54.840 -0.024 0.000 0.759 2151 L CB -0.210 41.843 42.059 -0.011 0.000 0.914 2151 L HN -0.041 nan 8.230 nan 0.000 0.439 2152 I N 0.212 120.728 120.570 -0.089 0.000 2.700 2152 I HA -0.261 3.914 4.170 0.008 0.000 0.261 2152 I C 1.547 177.502 176.117 -0.271 0.000 1.219 2152 I CA 1.042 62.241 61.300 -0.168 0.000 1.463 2152 I CB -0.337 37.553 38.000 -0.183 0.000 1.092 2152 I HN 0.340 nan 8.210 nan 0.000 0.452 2153 D N 0.540 120.840 120.400 -0.167 0.000 2.301 2153 D HA 0.001 4.645 4.640 0.008 0.000 0.206 2153 D C 2.200 178.496 176.300 -0.005 0.000 0.979 2153 D CA 0.923 54.850 54.000 -0.121 0.000 0.874 2153 D CB -0.030 40.737 40.800 -0.054 0.000 0.968 2153 D HN 0.348 nan 8.370 nan 0.000 0.510 2154 G N 1.327 110.120 108.800 -0.012 0.000 2.471 2154 G HA2 -0.150 3.814 3.960 0.008 0.000 0.219 2154 G HA3 -0.150 3.814 3.960 0.008 0.000 0.219 2154 G C 1.804 176.723 174.900 0.030 0.000 1.125 2154 G CA 0.146 45.254 45.100 0.014 0.000 0.775 2154 G HN 0.200 nan 8.290 nan 0.000 0.548 2155 L N -0.445 120.806 121.223 0.047 0.000 2.013 2155 L HA -0.128 4.216 4.340 0.008 0.000 0.212 2155 L C 2.686 179.601 176.870 0.075 0.000 1.073 2155 L CA 0.822 55.708 54.840 0.076 0.000 0.753 2155 L CB -0.522 41.612 42.059 0.124 0.000 0.890 2155 L HN 0.233 nan 8.230 nan 0.000 0.432 2156 L N -0.163 121.181 121.223 0.202 0.000 2.046 2156 L HA -0.205 4.140 4.340 0.008 0.000 0.208 2156 L C 2.105 178.947 176.870 -0.047 0.000 1.077 2156 L CA 1.820 56.688 54.840 0.048 0.000 0.747 2156 L CB -0.734 41.387 42.059 0.104 0.000 0.896 2156 L HN 0.201 nan 8.230 nan 0.000 0.432 2157 D N -0.794 119.601 120.400 -0.008 0.000 2.104 2157 D HA -0.203 4.442 4.640 0.008 0.000 0.194 2157 D C 2.157 178.391 176.300 -0.110 0.000 0.994 2157 D CA 1.183 55.158 54.000 -0.041 0.000 0.830 2157 D CB -0.093 40.700 40.800 -0.011 0.000 0.959 2157 D HN 0.441 nan 8.370 nan 0.000 0.452 2158 Q N 0.377 120.096 119.800 -0.134 0.000 2.119 2158 Q HA -0.043 4.302 4.340 0.008 0.000 0.201 2158 Q C 2.353 178.070 176.000 -0.472 0.000 0.972 2158 Q CA 0.699 56.342 55.803 -0.267 0.000 0.847 2158 Q CB -0.324 28.295 28.738 -0.199 0.000 0.903 2158 Q HN 0.185 nan 8.270 nan 0.000 0.433 2159 S N 0.973 116.444 115.700 -0.383 0.000 2.370 2159 S HA -0.179 4.296 4.470 0.008 0.000 0.226 2159 S C 1.891 176.199 174.600 -0.487 0.000 1.033 2159 S CA 1.333 59.259 58.200 -0.457 0.000 1.011 2159 S CB -0.222 62.764 63.200 -0.357 0.000 0.852 2159 S HN 0.345 nan 8.310 nan 0.000 0.457 2160 R N 1.578 121.865 120.500 -0.355 0.000 2.073 2160 R HA -0.101 4.243 4.340 0.008 0.000 0.234 2160 R C 1.981 178.129 176.300 -0.254 0.000 1.134 2160 R CA 1.523 57.445 56.100 -0.297 0.000 0.952 2160 R CB -0.369 29.867 30.300 -0.106 0.000 0.850 2160 R HN 0.323 nan 8.270 nan 0.000 0.433 2161 N N 1.054 119.616 118.700 -0.230 0.000 2.060 2161 N HA -0.221 4.523 4.740 0.008 0.000 0.195 2161 N C 1.774 177.135 175.510 -0.249 0.000 1.028 2161 N CA 1.334 54.272 53.050 -0.187 0.000 0.861 2161 N CB -0.421 37.961 38.487 -0.176 0.000 1.029 2161 N HN 0.169 nan 8.380 nan 0.000 0.428 2162 L N 1.382 122.329 121.223 -0.460 0.000 1.990 2162 L HA -0.128 4.217 4.340 0.008 0.000 0.213 2162 L C 2.222 178.896 176.870 -0.326 0.000 1.072 2162 L CA 1.973 56.514 54.840 -0.499 0.000 0.755 2162 L CB -1.262 40.341 42.059 -0.761 0.000 0.889 2162 L HN 0.163 nan 8.230 nan 0.000 0.432 2163 A N -1.131 121.417 122.820 -0.453 0.000 1.933 2163 A HA -0.199 4.125 4.320 0.008 0.000 0.218 2163 A C 1.896 179.498 177.584 0.029 0.000 1.175 2163 A CA 1.659 53.443 52.037 -0.422 0.000 0.628 2163 A CB -0.839 17.560 19.000 -1.002 0.000 0.814 2163 A HN 0.553 nan 8.150 nan 0.000 0.444 2164 D N -0.515 119.897 120.400 0.020 0.000 2.351 2164 D HA -0.095 4.550 4.640 0.008 0.000 0.216 2164 D C 1.882 178.268 176.300 0.143 0.000 0.968 2164 D CA 1.502 55.587 54.000 0.142 0.000 0.899 2164 D CB -0.026 40.837 40.800 0.106 0.000 0.907 2164 D HN 0.509 nan 8.370 nan 0.000 0.514 2165 V N -2.471 117.508 119.914 0.109 0.000 3.431 2165 V HA 0.134 4.259 4.120 0.008 0.000 0.253 2165 V C 1.786 177.974 176.094 0.156 0.000 1.184 2165 V CA 0.299 62.704 62.300 0.175 0.000 1.104 2165 V CB -0.259 31.657 31.823 0.155 0.000 0.799 2165 V HN 0.047 nan 8.190 nan 0.000 0.462 2166 L N 0.886 122.158 121.223 0.083 0.000 2.477 2166 L HA 0.125 4.469 4.340 0.008 0.000 0.220 2166 L C 2.690 179.458 176.870 -0.171 0.000 1.106 2166 L CA 0.992 55.794 54.840 -0.064 0.000 0.851 2166 L CB -0.486 41.684 42.059 0.184 0.000 0.994 2166 L HN 0.393 nan 8.230 nan 0.000 0.462 2167 K N 1.363 121.854 120.400 0.152 0.000 2.113 2167 K HA -0.232 4.093 4.320 0.008 0.000 0.208 2167 K C 1.985 178.645 176.600 0.100 0.000 1.047 2167 K CA 1.900 58.340 56.287 0.255 0.000 0.928 2167 K CB -1.010 31.693 32.500 0.339 0.000 0.716 2167 K HN 0.352 nan 8.250 nan 0.000 0.446 2168 F N 1.506 121.532 119.950 0.127 0.000 2.411 2168 F HA 0.014 4.546 4.527 0.008 0.000 0.299 2168 F C 2.104 177.960 175.800 0.093 0.000 1.077 2168 F CA 0.444 58.484 58.000 0.067 0.000 1.439 2168 F CB -0.740 38.226 39.000 -0.058 0.000 1.085 2168 F HN 0.032 nan 8.300 nan 0.000 0.564 2169 A N 0.003 122.614 122.820 -0.348 0.000 2.066 2169 A HA 0.018 4.342 4.320 0.008 0.000 0.218 2169 A C 1.784 179.224 177.584 -0.240 0.000 1.157 2169 A CA 0.953 52.840 52.037 -0.249 0.000 0.670 2169 A CB -1.331 17.372 19.000 -0.495 0.000 0.804 2169 A HN 0.474 nan 8.150 nan 0.000 0.453 2170 F N 0.014 119.915 119.950 -0.081 0.000 2.664 2170 F HA 0.066 4.598 4.527 0.008 0.000 0.296 2170 F C 0.043 175.811 175.800 -0.052 0.000 1.125 2170 F CA -0.038 57.901 58.000 -0.100 0.000 1.444 2170 F CB 0.068 38.983 39.000 -0.142 0.000 1.114 2170 F HN 0.071 nan 8.300 nan 0.000 0.576 2171 D N 1.206 121.707 120.400 0.169 0.000 2.489 2171 D HA 0.086 4.730 4.640 0.008 0.000 0.237 2171 D C 0.491 176.827 176.300 0.060 0.000 1.212 2171 D CA 0.351 54.426 54.000 0.125 0.000 1.058 2171 D CB -0.055 40.838 40.800 0.155 0.000 1.098 2171 D HN 0.129 nan 8.370 nan 0.000 0.509 2172 T N -1.758 112.794 114.554 -0.004 0.000 2.864 2172 T HA 0.526 4.880 4.350 0.008 0.000 0.289 2172 T C -1.776 172.895 174.700 -0.047 0.000 1.082 2172 T CA -1.777 60.275 62.100 -0.081 0.000 1.009 2172 T CB 1.583 70.300 68.868 -0.251 0.000 1.234 2172 T HN -0.207 nan 8.240 nan 0.000 0.526 2173 P HA -0.082 nan 4.420 nan 0.000 0.208 2173 P C 1.866 179.137 177.300 -0.047 0.000 1.189 2173 P CA 1.299 64.372 63.100 -0.045 0.000 0.931 2173 P CB -0.311 31.351 31.700 -0.063 0.000 0.783 2174 S N -2.401 113.227 115.700 -0.120 0.000 2.359 2174 S HA -0.060 4.415 4.470 0.008 0.000 0.224 2174 S C 1.644 176.231 174.600 -0.022 0.000 1.035 2174 S CA 2.136 60.223 58.200 -0.188 0.000 1.018 2174 S CB -0.946 61.976 63.200 -0.464 0.000 0.876 2174 S HN 0.440 nan 8.310 nan 0.000 0.448 2175 G N -1.076 107.706 108.800 -0.030 0.000 2.617 2175 G HA2 -0.186 3.779 3.960 0.008 0.000 0.197 2175 G HA3 -0.186 3.779 3.960 0.008 0.000 0.197 2175 G C 0.071 175.020 174.900 0.081 0.000 1.017 2175 G CA -0.094 45.067 45.100 0.101 0.000 0.713 2175 G HN 0.569 nan 8.290 nan 0.000 0.481 2176 V N 4.886 124.779 119.914 -0.035 0.000 2.509 2176 V HA 0.270 4.394 4.120 0.008 0.000 0.297 2176 V C -0.584 175.395 176.094 -0.191 0.000 1.014 2176 V CA 0.038 62.284 62.300 -0.091 0.000 1.127 2176 V CB 0.579 32.273 31.823 -0.215 0.000 0.925 2176 V HN 0.425 nan 8.190 nan 0.000 0.480 2177 P HA 0.138 nan 4.420 nan 0.000 0.286 2177 P C -0.994 176.111 177.300 -0.325 0.000 1.293 2177 P CA -0.429 62.435 63.100 -0.393 0.000 0.770 2177 P CB 0.762 31.953 31.700 -0.848 0.000 1.206 2178 Y N 0.005 120.164 120.300 -0.234 0.000 2.369 2178 Y HA 0.137 4.692 4.550 0.008 0.000 0.337 2178 Y C 1.854 177.659 175.900 -0.159 0.000 0.961 2178 Y CA -0.484 57.535 58.100 -0.134 0.000 1.186 2178 Y CB 0.963 39.394 38.460 -0.048 0.000 1.139 2178 Y HN 0.342 nan 8.280 nan 0.000 0.494 2179 N N 2.686 121.423 118.700 0.062 0.000 2.135 2179 N HA -0.140 4.605 4.740 0.008 0.000 0.186 2179 N C -0.509 175.041 175.510 0.067 0.000 1.027 2179 N CA 1.074 54.141 53.050 0.029 0.000 0.849 2179 N CB 0.095 38.606 38.487 0.039 0.000 1.002 2179 N HN 0.584 nan 8.380 nan 0.000 0.425 2180 N N 1.346 120.090 118.700 0.073 0.000 2.602 2180 N HA 0.172 4.917 4.740 0.008 0.000 0.238 2180 N C -0.449 175.100 175.510 0.064 0.000 1.084 2180 N CA -0.333 52.757 53.050 0.067 0.000 0.952 2180 N CB 0.628 39.141 38.487 0.044 0.000 1.244 2180 N HN 0.283 nan 8.380 nan 0.000 0.512 2181 I N -1.642 118.999 120.570 0.118 0.000 3.449 2181 I HA 0.605 4.779 4.170 0.008 0.000 0.294 2181 I C -0.594 175.663 176.117 0.234 0.000 1.163 2181 I CA -0.871 60.556 61.300 0.212 0.000 1.010 2181 I CB 1.742 39.962 38.000 0.367 0.000 1.307 2181 I HN 0.203 nan 8.210 nan 0.000 0.518 2182 N N 2.003 120.892 118.700 0.314 0.000 2.491 2182 N HA 0.342 5.087 4.740 0.008 0.000 0.274 2182 N C 0.132 175.851 175.510 0.349 0.000 1.023 2182 N CA -0.623 52.565 53.050 0.229 0.000 0.902 2182 N CB 1.344 39.891 38.487 0.099 0.000 1.267 2182 N HN 0.763 nan 8.380 nan 0.000 0.503 2183 I N 0.612 121.414 120.570 0.386 0.000 3.620 2183 I HA 0.142 4.317 4.170 0.008 0.000 0.305 2183 I C 0.102 176.401 176.117 0.303 0.000 1.243 2183 I CA 0.217 61.803 61.300 0.477 0.000 1.196 2183 I CB -0.070 38.190 38.000 0.433 0.000 1.004 2183 I HN 0.198 nan 8.210 nan 0.000 0.487 2184 T N 0.176 114.816 114.554 0.144 0.000 3.151 2184 T HA 0.022 4.377 4.350 0.008 0.000 0.239 2184 T C 1.642 176.239 174.700 -0.173 0.000 0.979 2184 T CA 0.981 63.083 62.100 0.004 0.000 1.194 2184 T CB 0.034 68.909 68.868 0.012 0.000 0.982 2184 T HN 0.538 nan 8.240 nan 0.000 0.428 2185 S N 0.740 116.365 115.700 -0.126 0.000 2.631 2185 S HA 0.078 4.553 4.470 0.008 0.000 0.217 2185 S C 0.443 174.919 174.600 -0.206 0.000 0.958 2185 S CA 0.092 58.183 58.200 -0.182 0.000 0.920 2185 S CB -1.000 62.142 63.200 -0.096 0.000 0.776 2185 S HN 0.708 nan 8.310 nan 0.000 0.517 2186 H N -0.341 118.511 119.070 -0.364 0.000 2.932 2186 H HA -0.163 4.398 4.556 0.008 0.000 0.290 2186 H C 0.911 175.893 175.328 -0.578 0.000 1.108 2186 H CA -0.069 55.438 56.048 -0.902 0.000 1.172 2186 H CB -1.606 27.704 29.762 -0.754 0.000 1.325 2186 H HN 0.676 nan 8.280 nan 0.000 0.354 2187 G N 0.393 109.112 108.800 -0.134 0.000 2.547 2187 G HA2 0.420 4.384 3.960 0.008 0.000 0.291 2187 G HA3 0.420 4.384 3.960 0.008 0.000 0.291 2187 G C -0.029 174.880 174.900 0.014 0.000 1.211 2187 G CA -0.079 44.988 45.100 -0.055 0.000 0.950 2187 G HN 0.432 nan 8.290 nan 0.000 0.504 2188 N N -1.960 116.691 118.700 -0.082 0.000 2.416 2188 N HA 0.251 4.995 4.740 0.008 0.000 0.276 2188 N C 0.156 175.495 175.510 -0.286 0.000 1.261 2188 N CA -0.614 52.322 53.050 -0.191 0.000 0.790 2188 N CB 1.671 39.896 38.487 -0.436 0.000 1.554 2188 N HN 0.331 nan 8.380 nan 0.000 0.481 2189 D N 0.767 121.015 120.400 -0.253 0.000 2.254 2189 D HA -0.072 4.573 4.640 0.008 0.000 0.201 2189 D C 0.704 176.876 176.300 -0.214 0.000 0.998 2189 D CA 2.190 56.084 54.000 -0.177 0.000 0.885 2189 D CB -0.529 40.210 40.800 -0.101 0.000 0.915 2189 D HN 1.082 nan 8.370 nan 0.000 0.460 2190 G N -0.528 108.017 108.800 -0.425 0.000 2.438 2190 G HA2 0.091 4.055 3.960 0.008 0.000 0.272 2190 G HA3 0.091 4.055 3.960 0.008 0.000 0.272 2190 G C -0.110 174.763 174.900 -0.045 0.000 0.991 2190 G CA 0.347 45.299 45.100 -0.246 0.000 1.348 2190 G HN 0.705 nan 8.290 nan 0.000 0.483 2191 A N 1.096 123.980 122.820 0.106 0.000 2.384 2191 A HA 0.951 5.275 4.320 0.008 0.000 0.312 2191 A C 1.263 178.935 177.584 0.147 0.000 1.113 2191 A CA 0.660 52.767 52.037 0.117 0.000 0.779 2191 A CB 1.119 20.177 19.000 0.096 0.000 1.307 2191 A HN 1.693 nan 8.150 nan 0.000 0.436 2192 T N -1.773 112.815 114.554 0.057 0.000 2.896 2192 T HA 0.144 4.498 4.350 0.008 0.000 0.263 2192 T C 0.898 175.581 174.700 -0.028 0.000 1.050 2192 T CA 1.622 63.732 62.100 0.017 0.000 1.140 2192 T CB -0.582 68.284 68.868 -0.004 0.000 0.877 2192 T HN 1.350 nan 8.240 nan 0.000 0.457 2193 T N -0.361 114.173 114.554 -0.033 0.000 2.907 2193 T HA 0.665 5.020 4.350 0.008 0.000 0.290 2193 T C -1.284 173.366 174.700 -0.083 0.000 1.066 2193 T CA -1.041 61.008 62.100 -0.086 0.000 1.012 2193 T CB 1.953 70.764 68.868 -0.095 0.000 1.184 2193 T HN 0.177 nan 8.240 nan 0.000 0.522 2194 N N -0.711 117.904 118.700 -0.142 0.000 2.258 2194 N HA 0.600 5.345 4.740 0.008 0.000 0.299 2194 N C 0.166 175.569 175.510 -0.178 0.000 1.047 2194 N CA -0.252 52.715 53.050 -0.138 0.000 0.814 2194 N CB 1.838 40.227 38.487 -0.164 0.000 1.413 2194 N HN 1.089 nan 8.380 nan 0.000 0.478 2195 G N 1.375 110.084 108.800 -0.153 0.000 2.559 2195 G HA2 0.032 3.997 3.960 0.008 0.000 0.235 2195 G HA3 0.032 3.997 3.960 0.008 0.000 0.235 2195 G C 1.027 175.789 174.900 -0.230 0.000 1.266 2195 G CA -0.302 44.694 45.100 -0.174 0.000 0.847 2195 G HN 0.605 nan 8.290 nan 0.000 0.583 2196 L N 2.630 123.712 121.223 -0.235 0.000 1.976 2196 L HA -0.015 4.330 4.340 0.008 0.000 0.209 2196 L C 2.954 179.663 176.870 -0.268 0.000 1.071 2196 L CA 2.906 57.564 54.840 -0.304 0.000 0.746 2196 L CB -0.920 40.982 42.059 -0.262 0.000 0.890 2196 L HN 0.600 nan 8.230 nan 0.000 0.432 2197 A N -0.637 122.041 122.820 -0.236 0.000 1.877 2197 A HA -0.173 4.152 4.320 0.008 0.000 0.216 2197 A C 2.264 179.590 177.584 -0.429 0.000 1.186 2197 A CA 2.624 54.482 52.037 -0.298 0.000 0.620 2197 A CB -1.446 17.339 19.000 -0.358 0.000 0.822 2197 A HN 0.573 nan 8.150 nan 0.000 0.443 2198 V N -2.924 116.703 119.914 -0.479 0.000 2.759 2198 V HA -0.129 3.996 4.120 0.008 0.000 0.256 2198 V C 2.050 178.040 176.094 -0.174 0.000 1.080 2198 V CA 2.507 64.549 62.300 -0.430 0.000 1.101 2198 V CB -1.575 30.076 31.823 -0.287 0.000 0.698 2198 V HN 0.415 nan 8.190 nan 0.000 0.477 2199 T N 1.134 115.582 114.554 -0.176 0.000 2.937 2199 T HA 0.159 4.514 4.350 0.008 0.000 0.260 2199 T C 1.537 176.217 174.700 -0.032 0.000 1.051 2199 T CA 1.333 63.365 62.100 -0.113 0.000 1.141 2199 T CB -0.281 68.484 68.868 -0.171 0.000 0.879 2199 T HN 0.673 nan 8.240 nan 0.000 0.459 2200 G N 0.877 109.655 108.800 -0.037 0.000 3.702 2200 G HA2 0.299 4.263 3.960 0.008 0.000 0.288 2200 G HA3 0.299 4.263 3.960 0.008 0.000 0.288 2200 G C 0.230 175.194 174.900 0.107 0.000 1.193 2200 G CA -0.208 44.971 45.100 0.132 0.000 0.952 2200 G HN 0.379 nan 8.290 nan 0.000 0.544 2201 T N 0.724 115.298 114.554 0.034 0.000 3.633 2201 T HA 0.287 4.642 4.350 0.008 0.000 0.278 2201 T C 1.070 175.923 174.700 0.255 0.000 0.991 2201 T CA -0.255 61.777 62.100 -0.113 0.000 1.036 2201 T CB 0.090 68.788 68.868 -0.283 0.000 1.148 2201 T HN 0.161 nan 8.240 nan 0.000 0.501 2202 L N -0.184 121.252 121.223 0.354 0.000 2.806 2202 L HA 0.151 4.496 4.340 0.008 0.000 0.242 2202 L C 2.529 179.659 176.870 0.434 0.000 1.068 2202 L CA 0.011 55.107 54.840 0.427 0.000 0.923 2202 L CB -0.256 41.949 42.059 0.243 0.000 1.364 2202 L HN 0.247 nan 8.230 nan 0.000 0.511 2203 V N -1.260 118.839 119.914 0.310 0.000 2.380 2203 V HA -0.297 3.827 4.120 0.008 0.000 0.251 2203 V C 2.411 178.546 176.094 0.068 0.000 1.063 2203 V CA 1.856 64.270 62.300 0.191 0.000 1.055 2203 V CB -0.845 31.075 31.823 0.162 0.000 0.657 2203 V HN 0.359 nan 8.190 nan 0.000 0.455 2204 L N 0.964 122.177 121.223 -0.017 0.000 2.017 2204 L HA -0.092 4.252 4.340 0.008 0.000 0.208 2204 L C 2.446 179.200 176.870 -0.195 0.000 1.073 2204 L CA 2.244 56.903 54.840 -0.301 0.000 0.745 2204 L CB -0.845 40.868 42.059 -0.576 0.000 0.894 2204 L HN 0.357 nan 8.230 nan 0.000 0.432 2205 E N -1.045 119.172 120.200 0.028 0.000 2.028 2205 E HA -0.212 4.143 4.350 0.008 0.000 0.191 2205 E C 1.844 178.404 176.600 -0.067 0.000 0.988 2205 E CA 2.069 58.459 56.400 -0.017 0.000 0.799 2205 E CB -0.578 29.159 29.700 0.062 0.000 0.755 2205 E HN 0.535 nan 8.360 nan 0.000 0.447 2206 W N 0.955 122.222 121.300 -0.056 0.000 2.354 2206 W HA -0.135 4.529 4.660 0.008 0.000 0.315 2206 W C 2.539 179.037 176.519 -0.035 0.000 1.206 2206 W CA 1.716 59.030 57.345 -0.052 0.000 1.290 2206 W CB -1.169 28.302 29.460 0.019 0.000 1.152 2206 W HN 0.022 nan 8.180 nan 0.000 0.489 2207 T N 0.234 114.893 114.554 0.176 0.000 2.699 2207 T HA -0.282 4.072 4.350 0.008 0.000 0.268 2207 T C 1.747 176.457 174.700 0.017 0.000 1.036 2207 T CA 1.896 64.056 62.100 0.100 0.000 1.147 2207 T CB -0.373 68.514 68.868 0.032 0.000 0.862 2207 T HN -0.075 nan 8.240 nan 0.000 0.446 2208 R N 0.848 121.263 120.500 -0.142 0.000 2.127 2208 R HA 0.020 4.365 4.340 0.008 0.000 0.238 2208 R C 2.054 178.304 176.300 -0.083 0.000 1.134 2208 R CA 1.020 57.033 56.100 -0.143 0.000 0.975 2208 R CB -0.904 29.254 30.300 -0.235 0.000 0.865 2208 R HN 0.363 nan 8.270 nan 0.000 0.447 2209 L N -0.471 120.685 121.223 -0.111 0.000 2.095 2209 L HA 0.095 4.440 4.340 0.008 0.000 0.204 2209 L C 1.954 178.873 176.870 0.081 0.000 1.080 2209 L CA 1.663 56.413 54.840 -0.149 0.000 0.759 2209 L CB -0.747 41.050 42.059 -0.436 0.000 0.914 2209 L HN 0.108 nan 8.230 nan 0.000 0.439 2210 S N -0.139 115.713 115.700 0.253 0.000 2.374 2210 S HA -0.215 4.260 4.470 0.008 0.000 0.227 2210 S C 1.464 176.144 174.600 0.134 0.000 1.037 2210 S CA 1.687 60.063 58.200 0.294 0.000 1.024 2210 S CB -0.453 62.882 63.200 0.225 0.000 0.861 2210 S HN 0.526 nan 8.310 nan 0.000 0.456 2211 D N 0.423 120.887 120.400 0.106 0.000 2.348 2211 D HA 0.083 4.728 4.640 0.008 0.000 0.216 2211 D C 1.437 177.751 176.300 0.024 0.000 0.970 2211 D CA 0.494 54.542 54.000 0.080 0.000 0.889 2211 D CB 0.039 40.929 40.800 0.150 0.000 0.912 2211 D HN 0.317 nan 8.370 nan 0.000 0.524 2212 L N -0.622 120.595 121.223 -0.011 0.000 2.575 2212 L HA 0.080 4.425 4.340 0.008 0.000 0.228 2212 L C 2.061 178.897 176.870 -0.056 0.000 1.075 2212 L CA 0.618 55.407 54.840 -0.085 0.000 0.867 2212 L CB 0.189 42.121 42.059 -0.211 0.000 1.097 2212 L HN 0.092 nan 8.230 nan 0.000 0.485 2213 T N -4.239 110.320 114.554 0.010 0.000 3.031 2213 T HA 0.345 4.700 4.350 0.008 0.000 0.236 2213 T C 1.385 176.103 174.700 0.030 0.000 1.005 2213 T CA 0.818 62.942 62.100 0.040 0.000 1.230 2213 T CB 0.618 69.572 68.868 0.144 0.000 0.913 2213 T HN 0.253 nan 8.240 nan 0.000 0.419 2214 G N 1.007 109.830 108.800 0.038 0.000 3.709 2214 G HA2 -0.088 3.876 3.960 0.008 0.000 0.196 2214 G HA3 -0.088 3.876 3.960 0.008 0.000 0.196 2214 G C -0.114 174.767 174.900 -0.031 0.000 1.177 2214 G CA 0.123 45.225 45.100 0.004 0.000 0.906 2214 G HN 0.597 nan 8.290 nan 0.000 0.416 2215 D N 2.477 122.832 120.400 -0.076 0.000 2.569 2215 D HA 0.097 4.742 4.640 0.008 0.000 0.254 2215 D C 1.560 177.688 176.300 -0.287 0.000 1.274 2215 D CA 0.426 54.296 54.000 -0.216 0.000 1.306 2215 D CB -0.270 40.323 40.800 -0.345 0.000 1.139 2215 D HN 0.649 nan 8.370 nan 0.000 0.511 2216 E N 1.569 121.686 120.200 -0.138 0.000 2.401 2216 E HA -0.283 4.072 4.350 0.008 0.000 0.204 2216 E C 1.505 178.034 176.600 -0.118 0.000 1.036 2216 E CA 0.624 56.975 56.400 -0.081 0.000 0.856 2216 E CB 0.066 29.739 29.700 -0.046 0.000 0.770 2216 E HN 0.674 nan 8.360 nan 0.000 0.527 2217 E N 0.412 120.465 120.200 -0.245 0.000 2.147 2217 E HA -0.260 4.095 4.350 0.008 0.000 0.199 2217 E C 1.343 177.880 176.600 -0.106 0.000 1.005 2217 E CA 1.340 57.610 56.400 -0.217 0.000 0.810 2217 E CB -0.069 29.459 29.700 -0.287 0.000 0.736 2217 E HN 0.360 nan 8.360 nan 0.000 0.460 2218 Y N 0.251 120.607 120.300 0.092 0.000 2.114 2218 Y HA -0.139 4.416 4.550 0.008 0.000 0.284 2218 Y C 2.500 178.477 175.900 0.129 0.000 1.143 2218 Y CA 1.007 59.248 58.100 0.236 0.000 1.135 2218 Y CB -1.217 37.389 38.460 0.243 0.000 0.980 2218 Y HN 0.160 nan 8.280 nan 0.000 0.499 2219 A N 0.004 122.965 122.820 0.235 0.000 1.902 2219 A HA -0.228 4.096 4.320 0.008 0.000 0.217 2219 A C 2.264 179.870 177.584 0.037 0.000 1.181 2219 A CA 1.925 54.050 52.037 0.146 0.000 0.623 2219 A CB -0.717 18.366 19.000 0.139 0.000 0.818 2219 A HN 0.417 nan 8.150 nan 0.000 0.443 2220 K N -0.116 120.277 120.400 -0.012 0.000 1.978 2220 K HA -0.116 4.209 4.320 0.008 0.000 0.214 2220 K C 1.885 178.392 176.600 -0.154 0.000 1.049 2220 K CA 1.794 58.044 56.287 -0.063 0.000 0.939 2220 K CB -0.464 31.994 32.500 -0.070 0.000 0.721 2220 K HN 0.436 nan 8.250 nan 0.000 0.441 2221 L N 0.839 121.894 121.223 -0.280 0.000 1.990 2221 L HA -0.275 4.069 4.340 0.008 0.000 0.213 2221 L C 2.708 179.127 176.870 -0.752 0.000 1.072 2221 L CA 1.906 56.391 54.840 -0.593 0.000 0.755 2221 L CB -0.983 40.506 42.059 -0.950 0.000 0.889 2221 L HN 0.444 nan 8.230 nan 0.000 0.432 2222 S N -0.248 115.029 115.700 -0.705 0.000 2.351 2222 S HA -0.289 4.185 4.470 0.008 0.000 0.220 2222 S C 1.857 176.386 174.600 -0.118 0.000 1.035 2222 S CA 1.384 59.316 58.200 -0.446 0.000 1.031 2222 S CB -0.707 62.347 63.200 -0.243 0.000 0.928 2222 S HN 0.482 nan 8.310 nan 0.000 0.433 2223 Q N 0.894 120.680 119.800 -0.023 0.000 2.170 2223 Q HA -0.055 4.289 4.340 0.008 0.000 0.203 2223 Q C 2.192 178.208 176.000 0.025 0.000 0.976 2223 Q CA 1.384 57.245 55.803 0.097 0.000 0.858 2223 Q CB -0.250 28.589 28.738 0.167 0.000 0.907 2223 Q HN 0.513 nan 8.270 nan 0.000 0.433 2224 K N 1.418 121.788 120.400 -0.050 0.000 2.057 2224 K HA -0.105 4.220 4.320 0.008 0.000 0.207 2224 K C 1.817 178.392 176.600 -0.042 0.000 1.049 2224 K CA 1.555 57.802 56.287 -0.067 0.000 0.931 2224 K CB -0.493 31.968 32.500 -0.064 0.000 0.714 2224 K HN 0.157 nan 8.250 nan 0.000 0.440 2225 A N 0.333 123.167 122.820 0.022 0.000 1.930 2225 A HA -0.122 4.202 4.320 0.008 0.000 0.217 2225 A C 2.090 179.735 177.584 0.102 0.000 1.175 2225 A CA 1.822 53.945 52.037 0.143 0.000 0.627 2225 A CB -0.585 18.548 19.000 0.222 0.000 0.815 2225 A HN 0.529 nan 8.150 nan 0.000 0.443 2226 E N 0.657 120.890 120.200 0.056 0.000 2.274 2226 E HA -0.129 4.225 4.350 0.008 0.000 0.194 2226 E C 2.048 178.630 176.600 -0.030 0.000 0.996 2226 E CA 1.314 57.745 56.400 0.052 0.000 0.840 2226 E CB -0.251 29.519 29.700 0.117 0.000 0.772 2226 E HN 0.701 nan 8.360 nan 0.000 0.491 2227 S N -0.342 115.282 115.700 -0.127 0.000 2.372 2227 S HA -0.283 4.192 4.470 0.008 0.000 0.227 2227 S C 1.813 176.258 174.600 -0.257 0.000 1.044 2227 S CA 1.501 59.553 58.200 -0.247 0.000 1.050 2227 S CB -1.005 61.940 63.200 -0.425 0.000 0.901 2227 S HN 0.435 nan 8.310 nan 0.000 0.447 2228 Y N 2.359 122.670 120.300 0.017 0.000 2.315 2228 Y HA 0.091 4.645 4.550 0.008 0.000 0.288 2228 Y C 2.273 178.245 175.900 0.119 0.000 1.154 2228 Y CA 0.723 58.848 58.100 0.041 0.000 1.229 2228 Y CB -0.692 37.754 38.460 -0.023 0.000 0.980 2228 Y HN 0.257 nan 8.280 nan 0.000 0.540 2229 L N -1.292 120.022 121.223 0.151 0.000 2.270 2229 L HA -0.091 4.254 4.340 0.008 0.000 0.210 2229 L C 2.011 178.960 176.870 0.132 0.000 1.104 2229 L CA 0.590 55.504 54.840 0.123 0.000 0.804 2229 L CB -0.523 41.411 42.059 -0.208 0.000 0.937 2229 L HN 0.223 nan 8.230 nan 0.000 0.450 2230 L N -0.281 120.982 121.223 0.067 0.000 2.072 2230 L HA -0.075 4.269 4.340 0.008 0.000 0.205 2230 L C 1.056 177.948 176.870 0.037 0.000 1.079 2230 L CA 1.231 56.087 54.840 0.026 0.000 0.752 2230 L CB -0.112 41.914 42.059 -0.056 0.000 0.906 2230 L HN 0.127 nan 8.230 nan 0.000 0.436 2231 K N 1.338 121.763 120.400 0.043 0.000 2.423 2231 K HA 0.269 4.594 4.320 0.008 0.000 0.234 2231 K C -2.350 174.296 176.600 0.077 0.000 1.051 2231 K CA -1.749 54.563 56.287 0.042 0.000 1.021 2231 K CB 1.152 33.671 32.500 0.032 0.000 1.474 2231 K HN -0.055 nan 8.250 nan 0.000 0.474 2232 P HA 0.072 nan 4.420 nan 0.000 0.276 2232 P C -1.065 176.185 177.300 -0.084 0.000 1.235 2232 P CA -0.224 62.792 63.100 -0.140 0.000 0.772 2232 P CB 1.084 32.462 31.700 -0.535 0.000 0.871 2233 Q N 3.887 123.704 119.800 0.029 0.000 2.331 2233 Q HA 0.444 4.788 4.340 0.008 0.000 0.272 2233 Q C -2.471 173.578 176.000 0.082 0.000 1.062 2233 Q CA -2.049 53.779 55.803 0.040 0.000 0.806 2233 Q CB 3.111 31.896 28.738 0.079 0.000 1.312 2233 Q HN 0.401 nan 8.270 nan 0.000 0.431 2234 P HA 0.024 nan 4.420 nan 0.000 0.279 2234 P C 0.314 177.580 177.300 -0.057 0.000 1.276 2234 P CA -0.308 62.786 63.100 -0.009 0.000 0.801 2234 P CB 0.974 32.673 31.700 -0.000 0.000 1.127 2235 S N -0.618 115.051 115.700 -0.052 0.000 2.419 2235 S HA -0.159 4.316 4.470 0.008 0.000 0.233 2235 S C 1.887 176.436 174.600 -0.085 0.000 1.016 2235 S CA 1.674 59.831 58.200 -0.072 0.000 0.974 2235 S CB -1.790 61.377 63.200 -0.055 0.000 0.786 2235 S HN 0.603 nan 8.310 nan 0.000 0.492 2236 S N 1.431 117.094 115.700 -0.062 0.000 2.442 2236 S HA 0.005 4.480 4.470 0.008 0.000 0.236 2236 S C 1.760 176.325 174.600 -0.059 0.000 1.007 2236 S CA 1.035 59.201 58.200 -0.057 0.000 0.965 2236 S CB -0.760 62.422 63.200 -0.031 0.000 0.773 2236 S HN 0.469 nan 8.310 nan 0.000 0.504 2237 S N 1.057 116.710 115.700 -0.079 0.000 2.562 2237 S HA 0.111 4.586 4.470 0.008 0.000 0.221 2237 S C 0.759 175.260 174.600 -0.165 0.000 0.975 2237 S CA 0.240 58.376 58.200 -0.107 0.000 0.918 2237 S CB -0.117 62.980 63.200 -0.173 0.000 0.772 2237 S HN 0.753 nan 8.310 nan 0.000 0.531 2238 E N 1.171 121.279 120.200 -0.154 0.000 3.170 2238 E HA 0.230 4.585 4.350 0.008 0.000 0.212 2238 E C -2.198 174.310 176.600 -0.153 0.000 1.143 2238 E CA -2.051 54.270 56.400 -0.130 0.000 1.139 2238 E CB 0.540 30.156 29.700 -0.140 0.000 1.346 2238 E HN 0.037 nan 8.360 nan 0.000 0.432 2239 P HA -0.112 nan 4.420 nan 0.000 0.218 2239 P C -0.728 175.923 177.300 -1.082 0.000 1.146 2239 P CA 1.279 64.049 63.100 -0.550 0.000 0.820 2239 P CB 0.094 31.572 31.700 -0.370 0.000 0.778 2240 F N -4.210 115.651 119.950 -0.148 0.000 2.645 2240 F HA 0.404 4.936 4.527 0.008 0.000 0.310 2240 F C -2.541 173.218 175.800 -0.069 0.000 1.102 2240 F CA -3.203 54.688 58.000 -0.182 0.000 0.952 2240 F CB 0.431 39.259 39.000 -0.287 0.000 1.326 2240 F HN -0.479 nan 8.300 nan 0.000 0.456 2241 P HA 0.185 nan 4.420 nan 0.000 0.261 2241 P C 0.692 178.069 177.300 0.128 0.000 1.203 2241 P CA 1.545 64.705 63.100 0.100 0.000 0.767 2241 P CB 0.278 32.035 31.700 0.094 0.000 0.785 2242 G N 2.778 111.646 108.800 0.112 0.000 2.268 2242 G HA2 -0.238 3.727 3.960 0.008 0.000 0.240 2242 G HA3 -0.238 3.727 3.960 0.008 0.000 0.240 2242 G C -0.187 174.874 174.900 0.269 0.000 1.010 2242 G CA -0.481 44.714 45.100 0.160 0.000 0.618 2242 G HN 0.444 nan 8.290 nan 0.000 0.516 2243 L N 2.401 123.787 121.223 0.271 0.000 2.295 2243 L HA 0.599 4.943 4.340 0.008 0.000 0.288 2243 L C 1.150 178.159 176.870 0.232 0.000 1.079 2243 L CA -0.678 54.378 54.840 0.361 0.000 0.830 2243 L CB 0.622 42.884 42.059 0.339 0.000 1.200 2243 L HN 0.570 nan 8.230 nan 0.000 0.438 2244 V N 0.814 120.860 119.914 0.219 0.000 3.463 2244 V HA 0.961 5.086 4.120 0.008 0.000 0.302 2244 V C 0.697 176.881 176.094 0.150 0.000 1.097 2244 V CA -0.665 61.621 62.300 -0.023 0.000 1.003 2244 V CB 0.944 32.628 31.823 -0.231 0.000 1.229 2244 V HN 0.670 nan 8.190 nan 0.000 0.444 2245 G N -0.055 108.877 108.800 0.220 0.000 2.539 2245 G HA2 0.401 4.365 3.960 0.008 0.000 0.258 2245 G HA3 0.401 4.365 3.960 0.008 0.000 0.258 2245 G C 0.612 175.691 174.900 0.298 0.000 1.202 2245 G CA 0.146 45.458 45.100 0.353 0.000 0.851 2245 G HN 0.949 nan 8.290 nan 0.000 0.556 2246 S N -0.567 115.223 115.700 0.150 0.000 2.561 2246 S HA 0.100 4.575 4.470 0.008 0.000 0.225 2246 S C 0.997 175.565 174.600 -0.052 0.000 0.977 2246 S CA 0.658 58.889 58.200 0.051 0.000 0.926 2246 S CB -0.149 63.082 63.200 0.051 0.000 0.769 2246 S HN 0.914 nan 8.310 nan 0.000 0.533 2247 S N 0.488 116.138 115.700 -0.083 0.000 2.536 2247 S HA 0.745 5.219 4.470 0.008 0.000 0.271 2247 S C -1.257 173.151 174.600 -0.321 0.000 1.134 2247 S CA -0.980 57.111 58.200 -0.182 0.000 0.897 2247 S CB 1.299 64.436 63.200 -0.106 0.000 1.094 2247 S HN 0.029 nan 8.310 nan 0.000 0.473 2248 I N 2.047 122.370 120.570 -0.412 0.000 2.447 2248 I HA 0.350 4.525 4.170 0.008 0.000 0.287 2248 I C 0.123 176.041 176.117 -0.331 0.000 1.023 2248 I CA -0.580 60.409 61.300 -0.519 0.000 1.083 2248 I CB 1.525 39.079 38.000 -0.743 0.000 1.245 2248 I HN 0.718 nan 8.210 nan 0.000 0.434 2249 N N 5.340 123.883 118.700 -0.261 0.000 2.353 2249 N HA 0.062 4.807 4.740 0.008 0.000 0.248 2249 N C 0.850 176.208 175.510 -0.253 0.000 1.240 2249 N CA 0.125 53.053 53.050 -0.203 0.000 0.862 2249 N CB 1.097 39.489 38.487 -0.158 0.000 1.086 2249 N HN 0.591 nan 8.380 nan 0.000 0.453 2250 I N 1.216 121.653 120.570 -0.222 0.000 3.419 2250 I HA -0.138 4.037 4.170 0.008 0.000 0.286 2250 I C 1.785 177.750 176.117 -0.253 0.000 1.268 2250 I CA 0.351 61.486 61.300 -0.275 0.000 1.414 2250 I CB -0.257 37.547 38.000 -0.327 0.000 1.074 2250 I HN 0.624 nan 8.210 nan 0.000 0.457 2251 N N -0.079 118.504 118.700 -0.195 0.000 2.439 2251 N HA -0.071 4.673 4.740 0.008 0.000 0.176 2251 N C 1.003 176.410 175.510 -0.171 0.000 1.029 2251 N CA 0.821 53.779 53.050 -0.153 0.000 0.886 2251 N CB -0.176 38.254 38.487 -0.094 0.000 1.057 2251 N HN 0.176 nan 8.380 nan 0.000 0.437 2252 D N -0.337 119.948 120.400 -0.191 0.000 2.290 2252 D HA 0.258 4.903 4.640 0.008 0.000 0.224 2252 D C 1.048 177.150 176.300 -0.330 0.000 0.967 2252 D CA 2.236 56.125 54.000 -0.186 0.000 0.893 2252 D CB -0.102 40.624 40.800 -0.123 0.000 1.037 2252 D HN 0.457 nan 8.370 nan 0.000 0.477 2253 G N -0.589 107.956 108.800 -0.423 0.000 2.184 2253 G HA2 -0.197 3.767 3.960 0.008 0.000 0.206 2253 G HA3 -0.197 3.767 3.960 0.008 0.000 0.206 2253 G C 0.057 174.781 174.900 -0.294 0.000 0.995 2253 G CA -0.335 44.346 45.100 -0.699 0.000 0.651 2253 G HN 0.115 nan 8.290 nan 0.000 0.511 2254 Q N -0.421 119.281 119.800 -0.163 0.000 2.260 2254 Q HA 0.571 4.916 4.340 0.008 0.000 0.242 2254 Q C -0.207 175.781 176.000 -0.019 0.000 0.932 2254 Q CA -0.440 55.373 55.803 0.017 0.000 0.891 2254 Q CB 0.700 29.448 28.738 0.016 0.000 1.222 2254 Q HN 0.195 nan 8.270 nan 0.000 0.453 2255 F N 0.559 120.469 119.950 -0.066 0.000 2.444 2255 F HA 0.171 4.702 4.527 0.008 0.000 0.360 2255 F C 1.141 176.909 175.800 -0.053 0.000 1.106 2255 F CA -0.327 57.634 58.000 -0.065 0.000 1.170 2255 F CB 0.652 39.620 39.000 -0.053 0.000 1.113 2255 F HN 0.678 nan 8.300 nan 0.000 0.521 2256 A N 2.404 125.240 122.820 0.027 0.000 2.209 2256 A HA 0.012 4.337 4.320 0.008 0.000 0.212 2256 A C 0.641 178.248 177.584 0.039 0.000 1.158 2256 A CA 0.943 52.987 52.037 0.013 0.000 0.742 2256 A CB -0.709 18.270 19.000 -0.036 0.000 0.790 2256 A HN 0.742 nan 8.150 nan 0.000 0.472 2257 D N -2.782 117.668 120.400 0.083 0.000 2.652 2257 D HA 0.279 4.923 4.640 0.008 0.000 0.285 2257 D C -0.098 176.261 176.300 0.098 0.000 1.173 2257 D CA 0.296 54.337 54.000 0.069 0.000 0.981 2257 D CB 0.786 41.615 40.800 0.048 0.000 1.440 2257 D HN 0.087 nan 8.370 nan 0.000 0.485 2258 S N -1.056 114.683 115.700 0.065 0.000 2.663 2258 S HA 0.160 4.634 4.470 0.008 0.000 0.243 2258 S C 0.530 175.189 174.600 0.098 0.000 1.009 2258 S CA -0.664 57.579 58.200 0.071 0.000 0.988 2258 S CB -0.039 63.184 63.200 0.038 0.000 0.896 2258 S HN 0.458 nan 8.310 nan 0.000 0.502 2259 R N 1.454 122.008 120.500 0.090 0.000 2.248 2259 R HA 0.510 4.855 4.340 0.008 0.000 0.328 2259 R C -0.933 175.464 176.300 0.163 0.000 1.067 2259 R CA -0.086 56.070 56.100 0.094 0.000 0.924 2259 R CB 0.859 31.192 30.300 0.055 0.000 1.013 2259 R HN 0.290 nan 8.270 nan 0.000 0.454 2260 V N 4.176 124.218 119.914 0.213 0.000 2.667 2260 V HA 0.790 4.915 4.120 0.008 0.000 0.308 2260 V C -1.155 175.095 176.094 0.260 0.000 1.048 2260 V CA 0.146 62.609 62.300 0.272 0.000 0.928 2260 V CB 2.022 34.040 31.823 0.324 0.000 1.004 2260 V HN 1.083 nan 8.190 nan 0.000 0.444 2261 S N 4.104 119.996 115.700 0.321 0.000 2.683 2261 S HA 0.272 4.746 4.470 0.008 0.000 0.278 2261 S C -1.312 173.560 174.600 0.454 0.000 1.059 2261 S CA -0.598 57.807 58.200 0.341 0.000 0.847 2261 S CB 0.349 63.685 63.200 0.228 0.000 1.078 2261 S HN 0.731 nan 8.310 nan 0.000 0.456 2262 W N 1.743 123.106 121.300 0.105 0.000 3.123 2262 W HA 0.445 5.110 4.660 0.007 0.000 0.383 2262 W C 0.456 177.122 176.519 0.244 0.000 1.102 2262 W CA -0.750 56.704 57.345 0.182 0.000 1.865 2262 W CB -0.327 29.195 29.460 0.103 0.000 1.111 2262 W HN 0.571 nan 8.180 nan 0.000 0.621 2263 N N 0.066 118.961 118.700 0.325 0.000 2.327 2263 N HA 0.226 4.971 4.740 0.008 0.000 0.257 2263 N C 0.778 176.382 175.510 0.156 0.000 1.281 2263 N CA 0.262 53.434 53.050 0.203 0.000 0.942 2263 N CB -0.001 38.554 38.487 0.114 0.000 1.199 2263 N HN -0.031 nan 8.380 nan 0.000 0.532 2264 G N -1.934 106.927 108.800 0.102 0.000 2.391 2264 G HA2 0.323 4.287 3.960 0.008 0.000 0.234 2264 G HA3 0.323 4.287 3.960 0.008 0.000 0.234 2264 G C 0.996 175.910 174.900 0.024 0.000 1.284 2264 G CA 0.370 45.503 45.100 0.054 0.000 0.873 2264 G HN 0.806 nan 8.290 nan 0.000 0.549 2265 G N 1.348 110.128 108.800 -0.034 0.000 2.234 2265 G HA2 -0.241 3.724 3.960 0.008 0.000 0.235 2265 G HA3 -0.241 3.724 3.960 0.008 0.000 0.235 2265 G C 0.655 175.516 174.900 -0.065 0.000 0.997 2265 G CA 0.959 46.019 45.100 -0.066 0.000 0.623 2265 G HN 0.675 nan 8.290 nan 0.000 0.514 2266 D N 0.070 120.469 120.400 -0.002 0.000 2.559 2266 D HA 0.153 4.798 4.640 0.008 0.000 0.296 2266 D C 1.916 178.270 176.300 0.091 0.000 1.118 2266 D CA 0.864 54.903 54.000 0.064 0.000 0.967 2266 D CB -0.329 40.587 40.800 0.193 0.000 1.607 2266 D HN 0.318 nan 8.370 nan 0.000 0.493 2267 D N 1.830 122.278 120.400 0.081 0.000 2.978 2267 D HA -0.308 4.336 4.640 0.008 0.000 0.235 2267 D C 1.649 177.777 176.300 -0.287 0.000 1.081 2267 D CA 3.029 57.014 54.000 -0.025 0.000 0.925 2267 D CB -1.296 39.414 40.800 -0.149 0.000 1.070 2267 D HN 0.273 nan 8.370 nan 0.000 0.494 2268 S N -1.046 114.402 115.700 -0.419 0.000 2.537 2268 S HA -0.093 4.381 4.470 0.008 0.000 0.240 2268 S C 1.820 176.259 174.600 -0.268 0.000 0.981 2268 S CA 0.690 58.629 58.200 -0.436 0.000 0.948 2268 S CB -0.956 61.982 63.200 -0.437 0.000 0.759 2268 S HN 0.428 nan 8.310 nan 0.000 0.531 2269 F N 2.331 122.106 119.950 -0.292 0.000 2.102 2269 F HA -0.038 4.494 4.527 0.008 0.000 0.298 2269 F C 1.871 177.540 175.800 -0.218 0.000 1.105 2269 F CA 0.843 58.670 58.000 -0.288 0.000 1.239 2269 F CB -0.837 37.922 39.000 -0.402 0.000 0.991 2269 F HN 0.138 nan 8.300 nan 0.000 0.474 2270 Y N 0.814 120.811 120.300 -0.505 0.000 2.181 2270 Y HA -0.189 4.366 4.550 0.008 0.000 0.288 2270 Y C 2.731 178.557 175.900 -0.124 0.000 1.146 2270 Y CA 1.807 59.586 58.100 -0.536 0.000 1.164 2270 Y CB -0.976 37.020 38.460 -0.772 0.000 0.982 2270 Y HN 0.238 nan 8.280 nan 0.000 0.515 2271 E N -0.322 119.960 120.200 0.136 0.000 2.070 2271 E HA -0.268 4.087 4.350 0.008 0.000 0.197 2271 E C 1.545 178.313 176.600 0.279 0.000 1.004 2271 E CA 1.618 58.184 56.400 0.276 0.000 0.805 2271 E CB -0.315 29.470 29.700 0.141 0.000 0.744 2271 E HN 0.485 nan 8.360 nan 0.000 0.451 2272 Y N -0.101 120.174 120.300 -0.041 0.000 2.571 2272 Y HA -0.063 4.492 4.550 0.008 0.000 0.294 2272 Y C 1.922 177.805 175.900 -0.028 0.000 1.141 2272 Y CA 0.179 58.264 58.100 -0.025 0.000 1.308 2272 Y CB -0.175 38.289 38.460 0.006 0.000 1.002 2272 Y HN 0.128 nan 8.280 nan 0.000 0.551 2273 L N -0.621 120.634 121.223 0.053 0.000 1.976 2273 L HA -0.207 4.138 4.340 0.008 0.000 0.209 2273 L C 2.343 179.254 176.870 0.069 0.000 1.071 2273 L CA 1.472 56.361 54.840 0.080 0.000 0.746 2273 L CB -1.204 40.879 42.059 0.040 0.000 0.890 2273 L HN 0.134 nan 8.230 nan 0.000 0.432 2274 I N -0.908 119.528 120.570 -0.223 0.000 2.439 2274 I HA -0.214 3.960 4.170 0.008 0.000 0.251 2274 I C 2.319 178.351 176.117 -0.142 0.000 1.139 2274 I CA 1.393 62.431 61.300 -0.437 0.000 1.438 2274 I CB -0.368 36.842 38.000 -1.317 0.000 1.085 2274 I HN 0.192 nan 8.210 nan 0.000 0.427 2275 K N -0.673 119.670 120.400 -0.095 0.000 2.148 2275 K HA -0.116 4.209 4.320 0.008 0.000 0.204 2275 K C 2.000 178.555 176.600 -0.074 0.000 1.050 2275 K CA 1.147 57.400 56.287 -0.057 0.000 0.942 2275 K CB -0.152 32.307 32.500 -0.069 0.000 0.724 2275 K HN 0.255 nan 8.250 nan 0.000 0.446 2276 M N -0.245 119.284 119.600 -0.117 0.000 2.117 2276 M HA -0.176 4.309 4.480 0.008 0.000 0.262 2276 M C 2.089 178.360 176.300 -0.048 0.000 1.065 2276 M CA 1.488 56.611 55.300 -0.296 0.000 1.114 2276 M CB -0.906 31.331 32.600 -0.606 0.000 1.361 2276 M HN 0.132 nan 8.290 nan 0.000 0.408 2277 Y N 0.947 121.231 120.300 -0.026 0.000 2.256 2277 Y HA -0.176 4.379 4.550 0.008 0.000 0.288 2277 Y C 2.138 178.071 175.900 0.055 0.000 1.155 2277 Y CA 1.329 59.474 58.100 0.074 0.000 1.203 2277 Y CB -0.408 38.076 38.460 0.040 0.000 0.980 2277 Y HN -0.033 nan 8.280 nan 0.000 0.530 2278 V N -0.589 119.301 119.914 -0.041 0.000 2.548 2278 V HA -0.249 3.876 4.120 0.008 0.000 0.249 2278 V C 1.976 178.032 176.094 -0.062 0.000 1.055 2278 V CA 1.817 64.054 62.300 -0.105 0.000 1.065 2278 V CB -1.070 30.757 31.823 0.008 0.000 0.681 2278 V HN 0.530 nan 8.190 nan 0.000 0.462 2279 Y N 1.110 121.344 120.300 -0.110 0.000 2.181 2279 Y HA -0.109 4.445 4.550 0.008 0.000 0.288 2279 Y C 1.152 177.030 175.900 -0.037 0.000 1.146 2279 Y CA 1.815 59.863 58.100 -0.087 0.000 1.164 2279 Y CB 0.395 38.779 38.460 -0.125 0.000 0.982 2279 Y HN 0.332 nan 8.280 nan 0.000 0.515 2280 D N -0.794 119.593 120.400 -0.022 0.000 2.312 2280 D HA 0.100 4.745 4.640 0.008 0.000 0.229 2280 D C -2.416 173.854 176.300 -0.050 0.000 1.337 2280 D CA -1.236 52.699 54.000 -0.108 0.000 0.964 2280 D CB 1.407 42.152 40.800 -0.092 0.000 1.456 2280 D HN -0.004 nan 8.370 nan 0.000 0.547 2281 P HA -0.211 nan 4.420 nan 0.000 0.217 2281 P C 1.359 178.654 177.300 -0.008 0.000 1.148 2281 P CA 0.939 63.839 63.100 -0.334 0.000 0.828 2281 P CB 0.601 31.962 31.700 -0.564 0.000 0.783 2282 K N 0.785 121.133 120.400 -0.087 0.000 1.963 2282 K HA -0.146 4.178 4.320 0.008 0.000 0.216 2282 K C 2.361 178.863 176.600 -0.163 0.000 1.045 2282 K CA 1.348 57.582 56.287 -0.089 0.000 0.954 2282 K CB -0.411 32.016 32.500 -0.122 0.000 0.732 2282 K HN -0.141 nan 8.250 nan 0.000 0.442 2283 R N -0.668 119.619 120.500 -0.356 0.000 2.154 2283 R HA -0.143 4.201 4.340 0.008 0.000 0.248 2283 R C 1.009 176.774 176.300 -0.892 0.000 1.155 2283 R CA 1.624 57.292 56.100 -0.720 0.000 0.979 2283 R CB -0.230 29.375 30.300 -1.158 0.000 0.869 2283 R HN 0.292 nan 8.270 nan 0.000 0.452 2284 F N -0.533 119.395 119.950 -0.037 0.000 2.908 2284 F HA 0.219 4.750 4.527 0.008 0.000 0.328 2284 F C 1.427 177.334 175.800 0.179 0.000 1.211 2284 F CA -0.491 57.473 58.000 -0.061 0.000 1.291 2284 F CB 0.349 39.170 39.000 -0.299 0.000 0.962 2284 F HN -0.056 nan 8.300 nan 0.000 0.505 2285 E N 0.271 120.637 120.200 0.276 0.000 2.204 2285 E HA -0.134 4.220 4.350 0.008 0.000 0.194 2285 E C 1.599 178.330 176.600 0.219 0.000 0.989 2285 E CA 1.453 58.005 56.400 0.253 0.000 0.824 2285 E CB 0.242 30.046 29.700 0.172 0.000 0.756 2285 E HN 0.328 nan 8.360 nan 0.000 0.477 2286 T N 0.037 114.761 114.554 0.282 0.000 2.867 2286 T HA -0.145 4.210 4.350 0.008 0.000 0.268 2286 T C 1.135 176.055 174.700 0.366 0.000 1.057 2286 T CA 1.016 63.291 62.100 0.292 0.000 1.136 2286 T CB -0.255 68.796 68.868 0.306 0.000 0.874 2286 T HN 0.265 nan 8.240 nan 0.000 0.466 2287 Y N 1.716 122.132 120.300 0.193 0.000 2.184 2287 Y HA 0.035 4.589 4.550 0.008 0.000 0.290 2287 Y C 2.441 178.418 175.900 0.130 0.000 1.129 2287 Y CA 0.341 58.540 58.100 0.166 0.000 1.144 2287 Y CB -0.541 38.028 38.460 0.183 0.000 0.995 2287 Y HN 0.143 nan 8.280 nan 0.000 0.513 2288 K N 0.471 121.015 120.400 0.240 0.000 2.044 2288 K HA -0.231 4.094 4.320 0.008 0.000 0.210 2288 K C 1.383 178.054 176.600 0.117 0.000 1.049 2288 K CA 2.200 58.482 56.287 -0.008 0.000 0.927 2288 K CB -0.331 31.815 32.500 -0.590 0.000 0.713 2288 K HN 0.168 nan 8.250 nan 0.000 0.443 2289 D N 0.552 121.016 120.400 0.106 0.000 2.104 2289 D HA -0.141 4.504 4.640 0.008 0.000 0.194 2289 D C 2.139 178.525 176.300 0.144 0.000 0.994 2289 D CA 0.968 55.040 54.000 0.119 0.000 0.830 2289 D CB -0.153 40.707 40.800 0.100 0.000 0.959 2289 D HN 0.209 nan 8.370 nan 0.000 0.452 2290 R N -0.306 120.279 120.500 0.143 0.000 2.152 2290 R HA -0.124 4.221 4.340 0.008 0.000 0.232 2290 R C 2.117 178.494 176.300 0.128 0.000 1.117 2290 R CA 0.404 56.574 56.100 0.116 0.000 0.981 2290 R CB -0.931 29.417 30.300 0.080 0.000 0.870 2290 R HN 0.393 nan 8.270 nan 0.000 0.451 2291 W N 0.880 122.176 121.300 -0.006 0.000 2.388 2291 W HA -0.133 4.532 4.660 0.008 0.000 0.294 2291 W C 1.774 178.276 176.519 -0.029 0.000 1.212 2291 W CA 0.876 58.201 57.345 -0.034 0.000 1.271 2291 W CB -0.033 29.381 29.460 -0.077 0.000 1.126 2291 W HN -0.226 nan 8.180 nan 0.000 0.535 2292 V N 0.944 120.968 119.914 0.183 0.000 2.490 2292 V HA -0.294 3.831 4.120 0.008 0.000 0.250 2292 V C 2.125 178.216 176.094 -0.004 0.000 1.061 2292 V CA 1.380 63.745 62.300 0.110 0.000 1.064 2292 V CB -0.932 31.076 31.823 0.309 0.000 0.670 2292 V HN 0.109 nan 8.190 nan 0.000 0.461 2293 L N 0.428 121.663 121.223 0.021 0.000 2.056 2293 L HA -0.031 4.314 4.340 0.008 0.000 0.207 2293 L C 2.597 179.473 176.870 0.009 0.000 1.078 2293 L CA 2.179 57.045 54.840 0.044 0.000 0.749 2293 L CB -1.370 40.733 42.059 0.073 0.000 0.901 2293 L HN 0.283 nan 8.230 nan 0.000 0.433 2294 A N -0.683 122.104 122.820 -0.054 0.000 1.898 2294 A HA -0.057 4.268 4.320 0.008 0.000 0.216 2294 A C 2.504 179.992 177.584 -0.160 0.000 1.181 2294 A CA 1.506 53.541 52.037 -0.005 0.000 0.620 2294 A CB -0.864 18.204 19.000 0.114 0.000 0.819 2294 A HN 0.351 nan 8.150 nan 0.000 0.442 2295 A N -0.122 122.354 122.820 -0.573 0.000 1.908 2295 A HA -0.202 4.123 4.320 0.008 0.000 0.218 2295 A C 1.956 179.480 177.584 -0.100 0.000 1.181 2295 A CA 1.774 53.398 52.037 -0.689 0.000 0.627 2295 A CB -0.507 17.466 19.000 -1.712 0.000 0.818 2295 A HN 0.643 nan 8.150 nan 0.000 0.445 2296 E N -0.334 119.862 120.200 -0.008 0.000 2.046 2296 E HA -0.089 4.266 4.350 0.008 0.000 0.190 2296 E C 2.383 178.981 176.600 -0.004 0.000 0.982 2296 E CA 1.197 57.639 56.400 0.070 0.000 0.800 2296 E CB -0.143 29.629 29.700 0.119 0.000 0.756 2296 E HN 0.586 nan 8.360 nan 0.000 0.449 2297 S N 0.552 116.284 115.700 0.053 0.000 2.370 2297 S HA -0.155 4.319 4.470 0.008 0.000 0.226 2297 S C 2.152 176.748 174.600 -0.007 0.000 1.033 2297 S CA 1.508 59.794 58.200 0.143 0.000 1.011 2297 S CB -0.438 62.862 63.200 0.167 0.000 0.852 2297 S HN 0.268 nan 8.310 nan 0.000 0.457 2298 T N 2.733 117.245 114.554 -0.069 0.000 2.665 2298 T HA -0.056 4.298 4.350 0.008 0.000 0.268 2298 T C 1.731 176.263 174.700 -0.281 0.000 1.035 2298 T CA 1.362 63.361 62.100 -0.168 0.000 1.151 2298 T CB -0.502 68.254 68.868 -0.188 0.000 0.862 2298 T HN 0.328 nan 8.240 nan 0.000 0.438 2299 I N 0.400 120.715 120.570 -0.426 0.000 2.286 2299 I HA -0.121 4.053 4.170 0.008 0.000 0.248 2299 I C 2.375 178.200 176.117 -0.486 0.000 1.115 2299 I CA 1.131 61.961 61.300 -0.784 0.000 1.392 2299 I CB -0.159 37.278 38.000 -0.939 0.000 1.065 2299 I HN 0.057 nan 8.210 nan 0.000 0.418 2300 K N -0.226 119.917 120.400 -0.429 0.000 2.374 2300 K HA 0.027 4.352 4.320 0.008 0.000 0.196 2300 K C 0.673 176.787 176.600 -0.810 0.000 1.023 2300 K CA 0.915 56.865 56.287 -0.562 0.000 1.103 2300 K CB -0.092 32.052 32.500 -0.593 0.000 0.848 2300 K HN 0.423 nan 8.250 nan 0.000 0.528 2301 H N -1.713 117.187 119.070 -0.283 0.000 3.230 2301 H HA 0.344 4.905 4.556 0.008 0.000 0.259 2301 H C 0.457 175.678 175.328 -0.177 0.000 1.195 2301 H CA 0.029 55.853 56.048 -0.373 0.000 1.112 2301 H CB 0.819 29.931 29.762 -1.084 0.000 1.638 2301 H HN -0.052 nan 8.280 nan 0.000 0.624 2302 L N -0.750 120.445 121.223 -0.048 0.000 3.066 2302 L HA 0.189 4.534 4.340 0.008 0.000 0.272 2302 L C 0.695 177.608 176.870 0.071 0.000 1.101 2302 L CA -0.080 54.795 54.840 0.057 0.000 1.022 2302 L CB 0.630 42.654 42.059 -0.058 0.000 1.600 2302 L HN -0.041 nan 8.230 nan 0.000 0.559 2303 K N 1.509 121.914 120.400 0.009 0.000 2.494 2303 K HA 0.100 4.424 4.320 0.008 0.000 0.273 2303 K C -0.196 176.437 176.600 0.054 0.000 0.970 2303 K CA 0.561 56.874 56.287 0.044 0.000 0.963 2303 K CB 0.610 33.139 32.500 0.048 0.000 0.913 2303 K HN 0.020 nan 8.250 nan 0.000 0.502 2304 S N 1.595 117.273 115.700 -0.036 0.000 2.543 2304 S HA 0.336 4.810 4.470 0.008 0.000 0.274 2304 S C -2.178 172.302 174.600 -0.201 0.000 1.149 2304 S CA -0.898 57.357 58.200 0.092 0.000 0.866 2304 S CB 0.637 64.095 63.200 0.431 0.000 1.111 2304 S HN 0.702 nan 8.310 nan 0.000 0.457 2305 H N 1.788 120.894 119.070 0.060 0.000 2.589 2305 H HA 0.552 5.113 4.556 0.008 0.000 0.351 2305 H C -2.696 172.692 175.328 0.099 0.000 1.074 2305 H CA -1.370 54.647 56.048 -0.051 0.000 1.203 2305 H CB 1.352 31.086 29.762 -0.046 0.000 1.558 2305 H HN 0.319 nan 8.280 nan 0.000 0.522 2306 P HA 0.099 nan 4.420 nan 0.000 0.275 2306 P C 0.497 177.960 177.300 0.273 0.000 1.228 2306 P CA -0.508 62.817 63.100 0.375 0.000 0.786 2306 P CB 1.378 33.249 31.700 0.285 0.000 0.927 2307 K N 0.825 121.437 120.400 0.353 0.000 2.026 2307 K HA -0.109 4.215 4.320 0.008 0.000 0.208 2307 K C 1.918 178.595 176.600 0.128 0.000 1.048 2307 K CA 2.082 58.509 56.287 0.235 0.000 0.929 2307 K CB -0.519 32.144 32.500 0.271 0.000 0.713 2307 K HN 0.544 nan 8.250 nan 0.000 0.439 2308 S N 0.498 116.241 115.700 0.071 0.000 2.447 2308 S HA -0.034 4.441 4.470 0.008 0.000 0.233 2308 S C 0.889 175.394 174.600 -0.158 0.000 1.006 2308 S CA 0.461 58.565 58.200 -0.160 0.000 0.957 2308 S CB 0.076 62.900 63.200 -0.627 0.000 0.773 2308 S HN 0.099 nan 8.310 nan 0.000 0.507 2309 R N 1.117 121.551 120.500 -0.109 0.000 2.607 2309 R HA 0.309 4.654 4.340 0.008 0.000 0.278 2309 R C -2.865 173.406 176.300 -0.049 0.000 1.637 2309 R CA -1.437 54.601 56.100 -0.103 0.000 1.325 2309 R CB 1.262 31.470 30.300 -0.152 0.000 1.211 2309 R HN 0.215 nan 8.270 nan 0.000 0.565 2310 P HA -0.065 nan 4.420 nan 0.000 0.233 2310 P C 0.423 177.742 177.300 0.032 0.000 1.167 2310 P CA 0.748 63.855 63.100 0.012 0.000 0.770 2310 P CB 0.291 31.971 31.700 -0.034 0.000 0.837 2311 D N -0.961 119.427 120.400 -0.021 0.000 2.323 2311 D HA 0.009 4.653 4.640 0.008 0.000 0.239 2311 D C 0.306 176.563 176.300 -0.071 0.000 1.129 2311 D CA 0.333 54.319 54.000 -0.024 0.000 0.865 2311 D CB -0.289 40.484 40.800 -0.044 0.000 0.913 2311 D HN 0.196 nan 8.370 nan 0.000 0.517 2312 L N -0.635 120.505 121.223 -0.138 0.000 2.333 2312 L HA 0.529 4.873 4.340 0.008 0.000 0.263 2312 L C -0.380 176.168 176.870 -0.536 0.000 1.014 2312 L CA -0.738 53.893 54.840 -0.349 0.000 0.820 2312 L CB 2.478 44.238 42.059 -0.499 0.000 1.352 2312 L HN -0.268 nan 8.230 nan 0.000 0.421 2313 T N 0.796 114.944 114.554 -0.676 0.000 2.886 2313 T HA 0.658 5.012 4.350 0.008 0.000 0.292 2313 T C -0.942 173.378 174.700 -0.632 0.000 1.012 2313 T CA -0.420 61.240 62.100 -0.734 0.000 0.982 2313 T CB 1.338 69.847 68.868 -0.598 0.000 1.018 2313 T HN 0.227 nan 8.240 nan 0.000 0.451 2314 F N 1.137 120.769 119.950 -0.530 0.000 2.599 2314 F HA 0.572 5.103 4.527 0.007 0.000 0.311 2314 F C -0.275 175.354 175.800 -0.285 0.000 1.076 2314 F CA -1.459 56.231 58.000 -0.517 0.000 0.937 2314 F CB 1.748 40.091 39.000 -1.096 0.000 1.282 2314 F HN 0.153 nan 8.300 nan 0.000 0.460 2315 L N 1.068 122.305 121.223 0.023 0.000 2.416 2315 L HA 0.594 4.938 4.340 0.008 0.000 0.262 2315 L C -0.280 176.737 176.870 0.244 0.000 1.093 2315 L CA -0.268 54.594 54.840 0.038 0.000 0.801 2315 L CB 1.801 43.783 42.059 -0.129 0.000 1.191 2315 L HN 0.618 nan 8.230 nan 0.000 0.459 2316 S N -0.771 115.071 115.700 0.238 0.000 2.685 2316 S HA 0.512 4.987 4.470 0.008 0.000 0.282 2316 S C -1.061 173.657 174.600 0.198 0.000 1.159 2316 S CA -0.667 57.704 58.200 0.285 0.000 0.833 2316 S CB 2.100 65.527 63.200 0.378 0.000 1.151 2316 S HN 0.533 nan 8.310 nan 0.000 0.485 2317 S N 0.560 116.354 115.700 0.156 0.000 2.608 2317 S HA 0.712 5.187 4.470 0.008 0.000 0.291 2317 S C -1.578 173.078 174.600 0.093 0.000 1.146 2317 S CA -0.477 57.801 58.200 0.130 0.000 1.043 2317 S CB 0.942 64.194 63.200 0.087 0.000 1.037 2317 S HN 0.590 nan 8.310 nan 0.000 0.520 2318 Y N 0.787 121.038 120.300 -0.081 0.000 2.492 2318 Y HA 0.626 5.180 4.550 0.008 0.000 0.346 2318 Y C -0.713 175.132 175.900 -0.093 0.000 0.997 2318 Y CA -0.356 57.607 58.100 -0.228 0.000 1.025 2318 Y CB 1.843 40.075 38.460 -0.381 0.000 1.263 2318 Y HN 0.575 nan 8.280 nan 0.000 0.454 2319 S N 5.803 120.975 115.700 -0.879 0.000 2.599 2319 S HA 0.311 4.785 4.470 0.008 0.000 0.269 2319 S C -1.915 172.268 174.600 -0.695 0.000 1.135 2319 S CA -0.805 57.042 58.200 -0.589 0.000 1.027 2319 S CB -0.070 62.988 63.200 -0.237 0.000 1.129 2319 S HN 0.870 nan 8.310 nan 0.000 0.458 2320 N N 3.276 121.609 118.700 -0.611 0.000 2.586 2320 N HA -0.165 4.580 4.740 0.008 0.000 0.282 2320 N C 0.077 175.406 175.510 -0.301 0.000 1.171 2320 N CA 1.006 53.867 53.050 -0.314 0.000 0.733 2320 N CB -0.548 37.844 38.487 -0.158 0.000 0.910 2320 N HN 0.847 nan 8.380 nan 0.000 0.548 2321 R N -2.448 117.918 120.500 -0.224 0.000 3.946 2321 R HA -0.234 4.111 4.340 0.008 0.000 0.329 2321 R C -0.560 175.774 176.300 0.057 0.000 1.209 2321 R CA 1.292 57.456 56.100 0.108 0.000 0.909 2321 R CB -1.784 28.592 30.300 0.127 0.000 1.355 2321 R HN 0.639 nan 8.270 nan 0.000 0.539 2322 N N -0.236 118.313 118.700 -0.252 0.000 2.448 2322 N HA 0.304 5.048 4.740 0.008 0.000 0.279 2322 N C -1.518 173.931 175.510 -0.103 0.000 1.025 2322 N CA -0.509 52.497 53.050 -0.073 0.000 0.898 2322 N CB 0.698 39.120 38.487 -0.107 0.000 1.303 2322 N HN 0.045 nan 8.380 nan 0.000 0.495 2323 Y N 0.717 121.067 120.300 0.084 0.000 2.341 2323 Y HA 0.210 4.765 4.550 0.008 0.000 0.340 2323 Y C 0.268 176.177 175.900 0.016 0.000 0.997 2323 Y CA -0.628 57.549 58.100 0.130 0.000 1.149 2323 Y CB 0.788 39.355 38.460 0.178 0.000 1.171 2323 Y HN 0.396 nan 8.280 nan 0.000 0.494 2324 D N 3.553 124.003 120.400 0.083 0.000 2.316 2324 D HA 0.167 4.812 4.640 0.008 0.000 0.245 2324 D C -0.656 175.559 176.300 -0.140 0.000 1.171 2324 D CA -0.275 53.705 54.000 -0.033 0.000 0.856 2324 D CB 1.012 41.789 40.800 -0.040 0.000 1.090 2324 D HN 0.371 nan 8.370 nan 0.000 0.476 2325 L N 3.491 124.487 121.223 -0.379 0.000 2.934 2325 L HA 0.202 4.546 4.340 0.008 0.000 0.233 2325 L C 0.280 176.195 176.870 -1.592 0.000 1.358 2325 L CA -0.164 54.028 54.840 -1.079 0.000 1.233 2325 L CB -0.835 40.519 42.059 -1.174 0.000 1.594 2325 L HN 0.302 nan 8.230 nan 0.000 0.439 2326 S N -2.730 112.533 115.700 -0.729 0.000 2.549 2326 S HA 0.866 5.340 4.470 0.008 0.000 0.280 2326 S C -0.409 174.118 174.600 -0.122 0.000 1.109 2326 S CA -0.630 57.365 58.200 -0.342 0.000 0.905 2326 S CB 2.559 65.623 63.200 -0.226 0.000 1.081 2326 S HN 0.058 nan 8.310 nan 0.000 0.477 2327 S N 0.600 116.064 115.700 -0.394 0.000 2.851 2327 S HA 0.731 5.206 4.470 0.008 0.000 0.317 2327 S C -1.599 172.470 174.600 -0.885 0.000 1.144 2327 S CA -0.666 57.151 58.200 -0.639 0.000 0.862 2327 S CB 1.621 64.313 63.200 -0.847 0.000 1.259 2327 S HN 0.876 nan 8.310 nan 0.000 0.564 2328 Q N -0.273 119.098 119.800 -0.714 0.000 2.553 2328 Q HA 0.391 4.735 4.340 0.008 0.000 0.293 2328 Q C 0.019 175.996 176.000 -0.038 0.000 1.038 2328 Q CA -0.915 54.681 55.803 -0.345 0.000 0.777 2328 Q CB 0.914 29.616 28.738 -0.060 0.000 1.487 2328 Q HN 0.789 nan 8.270 nan 0.000 0.426 2329 H N 0.977 120.174 119.070 0.212 0.000 2.357 2329 H HA 0.006 4.567 4.556 0.007 0.000 0.301 2329 H C 1.630 177.094 175.328 0.227 0.000 1.082 2329 H CA 1.730 57.985 56.048 0.346 0.000 1.342 2329 H CB 0.290 30.239 29.762 0.312 0.000 1.389 2329 H HN 0.591 nan 8.280 nan 0.000 0.511 2330 L N 0.233 121.657 121.223 0.335 0.000 2.081 2330 L HA -0.211 4.133 4.340 0.008 0.000 0.212 2330 L C 2.544 179.618 176.870 0.341 0.000 1.080 2330 L CA 1.856 56.857 54.840 0.269 0.000 0.754 2330 L CB -0.544 41.618 42.059 0.171 0.000 0.893 2330 L HN 0.302 nan 8.230 nan 0.000 0.433 2331 T N -1.729 112.997 114.554 0.286 0.000 2.881 2331 T HA -0.178 4.177 4.350 0.008 0.000 0.270 2331 T C 1.723 176.583 174.700 0.267 0.000 1.068 2331 T CA 1.132 63.442 62.100 0.350 0.000 1.131 2331 T CB -0.480 68.476 68.868 0.147 0.000 0.871 2331 T HN 0.419 nan 8.240 nan 0.000 0.479 2332 c N 2.322 121.022 118.600 0.167 0.000 2.460 2332 c HA 0.005 4.579 4.570 0.008 0.000 0.291 2332 c C 2.187 176.302 174.090 0.043 0.000 1.493 2332 c CA -0.300 56.053 56.329 0.040 0.000 1.748 2332 c CB -2.496 39.968 42.510 -0.077 0.000 1.656 2332 c HN 0.771 nan 8.230 nan 0.000 0.576 2333 F N 2.868 122.882 119.950 0.108 0.000 2.502 2333 F HA -0.023 4.509 4.527 0.008 0.000 0.298 2333 F C 1.774 177.695 175.800 0.201 0.000 1.111 2333 F CA 1.144 59.222 58.000 0.131 0.000 1.445 2333 F CB -0.788 38.305 39.000 0.156 0.000 1.081 2333 F HN 0.253 nan 8.300 nan 0.000 0.558 2334 D N 1.123 120.974 120.400 -0.915 0.000 2.116 2334 D HA -0.202 4.443 4.640 0.008 0.000 0.193 2334 D C 2.325 178.546 176.300 -0.133 0.000 0.998 2334 D CA 1.698 55.318 54.000 -0.634 0.000 0.836 2334 D CB -1.456 39.172 40.800 -0.287 0.000 0.951 2334 D HN 0.349 nan 8.370 nan 0.000 0.449 2335 G N 0.217 108.947 108.800 -0.117 0.000 2.440 2335 G HA2 -0.181 3.784 3.960 0.008 0.000 0.218 2335 G HA3 -0.181 3.784 3.960 0.008 0.000 0.218 2335 G C 1.775 176.693 174.900 0.029 0.000 1.154 2335 G CA 1.124 46.200 45.100 -0.041 0.000 0.767 2335 G HN 0.540 nan 8.290 nan 0.000 0.552 2336 G N -0.039 108.760 108.800 -0.002 0.000 2.443 2336 G HA2 -0.104 3.861 3.960 0.008 0.000 0.219 2336 G HA3 -0.104 3.861 3.960 0.008 0.000 0.219 2336 G C 2.017 176.758 174.900 -0.265 0.000 1.131 2336 G CA 1.449 46.489 45.100 -0.100 0.000 0.775 2336 G HN 0.497 nan 8.290 nan 0.000 0.547 2337 S N -0.466 115.210 115.700 -0.040 0.000 2.377 2337 S HA 0.036 4.511 4.470 0.008 0.000 0.223 2337 S C 2.020 176.691 174.600 0.118 0.000 1.030 2337 S CA 0.524 58.750 58.200 0.044 0.000 0.970 2337 S CB -0.358 63.012 63.200 0.284 0.000 0.830 2337 S HN 0.290 nan 8.310 nan 0.000 0.473 2338 F N 1.540 121.609 119.950 0.197 0.000 2.216 2338 F HA 0.034 4.565 4.527 0.008 0.000 0.300 2338 F C 1.932 177.832 175.800 0.167 0.000 1.085 2338 F CA 0.976 59.133 58.000 0.261 0.000 1.326 2338 F CB -0.171 38.932 39.000 0.171 0.000 1.027 2338 F HN 0.202 nan 8.300 nan 0.000 0.497 2339 L N -1.035 120.309 121.223 0.202 0.000 2.109 2339 L HA -0.187 4.157 4.340 0.008 0.000 0.207 2339 L C 2.393 179.274 176.870 0.019 0.000 1.086 2339 L CA 0.719 55.617 54.840 0.098 0.000 0.760 2339 L CB -0.531 41.545 42.059 0.027 0.000 0.910 2339 L HN 0.175 nan 8.230 nan 0.000 0.437 2340 L N -0.383 120.761 121.223 -0.131 0.000 1.988 2340 L HA -0.138 4.207 4.340 0.008 0.000 0.207 2340 L C 2.466 179.260 176.870 -0.128 0.000 1.071 2340 L CA 1.849 56.592 54.840 -0.161 0.000 0.744 2340 L CB -0.771 41.102 42.059 -0.310 0.000 0.893 2340 L HN 0.331 nan 8.230 nan 0.000 0.433 2341 G N -1.096 107.526 108.800 -0.297 0.000 2.422 2341 G HA2 -0.230 3.734 3.960 0.008 0.000 0.218 2341 G HA3 -0.230 3.734 3.960 0.008 0.000 0.218 2341 G C 1.447 176.380 174.900 0.055 0.000 1.146 2341 G CA 0.681 45.521 45.100 -0.433 0.000 0.769 2341 G HN 0.566 nan 8.290 nan 0.000 0.547 2342 G N -0.316 108.629 108.800 0.243 0.000 2.418 2342 G HA2 -0.189 3.776 3.960 0.008 0.000 0.217 2342 G HA3 -0.189 3.776 3.960 0.008 0.000 0.217 2342 G C 1.798 176.827 174.900 0.215 0.000 1.158 2342 G CA 1.787 47.118 45.100 0.386 0.000 0.771 2342 G HN 0.451 nan 8.290 nan 0.000 0.545 2343 T N -0.378 114.257 114.554 0.135 0.000 2.942 2343 T HA 0.003 4.358 4.350 0.008 0.000 0.265 2343 T C 2.452 177.209 174.700 0.094 0.000 1.062 2343 T CA 1.266 63.424 62.100 0.097 0.000 1.139 2343 T CB -0.122 68.788 68.868 0.070 0.000 0.883 2343 T HN 0.002 nan 8.240 nan 0.000 0.468 2344 V N 1.247 121.217 119.914 0.094 0.000 2.548 2344 V HA 0.118 4.243 4.120 0.008 0.000 0.249 2344 V C 2.194 178.383 176.094 0.157 0.000 1.055 2344 V CA 1.225 63.593 62.300 0.114 0.000 1.065 2344 V CB -0.308 31.584 31.823 0.116 0.000 0.681 2344 V HN 0.488 nan 8.190 nan 0.000 0.462 2345 L N -0.304 121.017 121.223 0.163 0.000 2.628 2345 L HA 0.232 4.577 4.340 0.008 0.000 0.229 2345 L C 0.811 177.765 176.870 0.140 0.000 1.137 2345 L CA 0.239 55.184 54.840 0.175 0.000 0.909 2345 L CB -0.408 41.793 42.059 0.237 0.000 1.137 2345 L HN 0.388 nan 8.230 nan 0.000 0.470 2346 D N 1.807 122.279 120.400 0.120 0.000 2.686 2346 D HA -0.210 4.435 4.640 0.008 0.000 0.235 2346 D C 0.105 176.442 176.300 0.061 0.000 1.160 2346 D CA 0.541 54.590 54.000 0.082 0.000 0.645 2346 D CB -0.111 40.725 40.800 0.060 0.000 1.039 2346 D HN 0.058 nan 8.370 nan 0.000 0.423 2347 R N 1.064 121.618 120.500 0.090 0.000 2.332 2347 R HA 0.151 4.496 4.340 0.008 0.000 0.306 2347 R C 1.102 177.421 176.300 0.031 0.000 1.117 2347 R CA -0.513 55.576 56.100 -0.018 0.000 1.108 2347 R CB 1.317 31.515 30.300 -0.170 0.000 1.126 2347 R HN 0.258 nan 8.270 nan 0.000 0.548 2348 Q N 2.217 122.024 119.800 0.012 0.000 2.112 2348 Q HA -0.222 4.123 4.340 0.008 0.000 0.206 2348 Q C 1.169 177.204 176.000 0.058 0.000 0.987 2348 Q CA 2.495 58.323 55.803 0.041 0.000 0.858 2348 Q CB 0.129 28.876 28.738 0.015 0.000 0.905 2348 Q HN 0.577 nan 8.270 nan 0.000 0.420 2349 D N -0.961 119.428 120.400 -0.017 0.000 2.149 2349 D HA -0.204 4.441 4.640 0.008 0.000 0.198 2349 D C 1.511 177.925 176.300 0.190 0.000 0.990 2349 D CA 1.101 55.103 54.000 0.003 0.000 0.839 2349 D CB -0.747 39.977 40.800 -0.127 0.000 0.948 2349 D HN 0.297 nan 8.370 nan 0.000 0.460 2350 F N 1.094 121.162 119.950 0.198 0.000 2.146 2350 F HA 0.088 4.619 4.527 0.008 0.000 0.298 2350 F C 2.623 178.622 175.800 0.332 0.000 1.096 2350 F CA -0.240 57.981 58.000 0.369 0.000 1.275 2350 F CB -0.802 38.469 39.000 0.453 0.000 1.008 2350 F HN -0.060 nan 8.300 nan 0.000 0.480 2351 I N -0.058 120.759 120.570 0.412 0.000 2.208 2351 I HA -0.307 3.867 4.170 0.008 0.000 0.245 2351 I C 1.967 178.182 176.117 0.164 0.000 1.097 2351 I CA 1.490 62.937 61.300 0.245 0.000 1.363 2351 I CB -0.464 37.629 38.000 0.156 0.000 1.051 2351 I HN 0.067 nan 8.210 nan 0.000 0.413 2352 D N 0.377 120.871 120.400 0.157 0.000 2.178 2352 D HA -0.184 4.461 4.640 0.008 0.000 0.202 2352 D C 1.908 178.265 176.300 0.096 0.000 0.974 2352 D CA 1.205 55.266 54.000 0.103 0.000 0.841 2352 D CB -0.225 40.628 40.800 0.089 0.000 0.953 2352 D HN 0.264 nan 8.370 nan 0.000 0.478 2353 F N 1.533 121.450 119.950 -0.055 0.000 2.259 2353 F HA 0.096 4.628 4.527 0.008 0.000 0.298 2353 F C 2.199 177.818 175.800 -0.301 0.000 1.088 2353 F CA 1.163 59.025 58.000 -0.230 0.000 1.358 2353 F CB -0.256 38.519 39.000 -0.376 0.000 1.040 2353 F HN -0.083 nan 8.300 nan 0.000 0.505 2354 G N 0.504 109.210 108.800 -0.158 0.000 2.408 2354 G HA2 -0.180 3.785 3.960 0.008 0.000 0.217 2354 G HA3 -0.180 3.785 3.960 0.008 0.000 0.217 2354 G C 1.684 176.477 174.900 -0.179 0.000 1.150 2354 G CA 0.851 45.852 45.100 -0.164 0.000 0.776 2354 G HN 0.405 nan 8.290 nan 0.000 0.542 2355 L N 0.106 121.268 121.223 -0.103 0.000 2.362 2355 L HA 0.048 4.392 4.340 0.008 0.000 0.219 2355 L C 2.598 179.424 176.870 -0.074 0.000 1.134 2355 L CA 0.717 55.522 54.840 -0.058 0.000 0.807 2355 L CB -0.171 41.887 42.059 -0.003 0.000 0.927 2355 L HN 0.271 nan 8.230 nan 0.000 0.447 2356 E N -0.074 120.002 120.200 -0.207 0.000 2.230 2356 E HA -0.058 4.296 4.350 0.008 0.000 0.192 2356 E C 2.235 178.634 176.600 -0.335 0.000 0.987 2356 E CA 0.523 56.772 56.400 -0.252 0.000 0.841 2356 E CB 0.151 29.665 29.700 -0.310 0.000 0.783 2356 E HN 0.483 nan 8.360 nan 0.000 0.481 2357 L N 0.248 121.209 121.223 -0.436 0.000 2.209 2357 L HA -0.073 4.272 4.340 0.008 0.000 0.207 2357 L C 2.312 179.112 176.870 -0.117 0.000 1.094 2357 L CA 0.371 54.997 54.840 -0.357 0.000 0.790 2357 L CB -0.122 41.643 42.059 -0.491 0.000 0.932 2357 L HN 0.020 nan 8.230 nan 0.000 0.447 2358 V N -0.082 119.807 119.914 -0.041 0.000 2.358 2358 V HA -0.255 3.870 4.120 0.008 0.000 0.246 2358 V C 2.068 178.287 176.094 0.209 0.000 1.047 2358 V CA 1.739 64.134 62.300 0.158 0.000 1.035 2358 V CB -0.442 31.512 31.823 0.219 0.000 0.658 2358 V HN 0.421 nan 8.190 nan 0.000 0.452 2359 D N 0.678 121.151 120.400 0.121 0.000 2.144 2359 D HA -0.119 4.526 4.640 0.008 0.000 0.199 2359 D C 2.197 178.467 176.300 -0.049 0.000 0.984 2359 D CA 1.628 55.673 54.000 0.074 0.000 0.834 2359 D CB -0.540 40.282 40.800 0.037 0.000 0.955 2359 D HN 0.479 nan 8.370 nan 0.000 0.465 2360 G N 0.278 109.036 108.800 -0.069 0.000 2.418 2360 G HA2 -0.254 3.711 3.960 0.008 0.000 0.217 2360 G HA3 -0.254 3.711 3.960 0.008 0.000 0.217 2360 G C 1.914 176.916 174.900 0.171 0.000 1.158 2360 G CA 0.963 46.050 45.100 -0.022 0.000 0.771 2360 G HN 0.325 nan 8.290 nan 0.000 0.545 2361 c N 0.165 118.814 118.600 0.082 0.000 2.457 2361 c HA 0.087 4.662 4.570 0.008 0.000 0.278 2361 c C 2.667 176.717 174.090 -0.068 0.000 1.309 2361 c CA 0.955 57.247 56.329 -0.062 0.000 1.735 2361 c CB -0.295 42.164 42.510 -0.085 0.000 1.992 2361 c HN 0.604 nan 8.230 nan 0.000 0.493 2362 E N 1.959 122.178 120.200 0.032 0.000 2.265 2362 E HA -0.105 4.249 4.350 0.008 0.000 0.196 2362 E C 1.885 178.353 176.600 -0.221 0.000 0.996 2362 E CA 1.560 57.888 56.400 -0.120 0.000 0.832 2362 E CB -0.267 28.992 29.700 -0.734 0.000 0.756 2362 E HN 0.556 nan 8.360 nan 0.000 0.491 2363 A N -0.089 122.630 122.820 -0.169 0.000 1.872 2363 A HA -0.119 4.205 4.320 0.008 0.000 0.214 2363 A C 2.436 179.984 177.584 -0.060 0.000 1.187 2363 A CA 2.083 54.046 52.037 -0.122 0.000 0.614 2363 A CB -1.295 17.648 19.000 -0.096 0.000 0.826 2363 A HN 0.467 nan 8.150 nan 0.000 0.442 2364 T N -4.015 110.368 114.554 -0.284 0.000 3.025 2364 T HA -0.126 4.229 4.350 0.008 0.000 0.270 2364 T C 1.583 176.238 174.700 -0.075 0.000 1.126 2364 T CA 1.473 63.286 62.100 -0.479 0.000 1.105 2364 T CB -0.440 67.609 68.868 -1.365 0.000 0.884 2364 T HN 0.397 nan 8.240 nan 0.000 0.522 2365 Y N 3.205 123.396 120.300 -0.181 0.000 2.230 2365 Y HA 0.153 4.708 4.550 0.007 0.000 0.294 2365 Y C 2.298 178.158 175.900 -0.066 0.000 1.120 2365 Y CA 1.005 59.044 58.100 -0.102 0.000 1.129 2365 Y CB -0.272 38.144 38.460 -0.073 0.000 1.040 2365 Y HN 0.441 nan 8.280 nan 0.000 0.519 2366 N N -1.614 117.112 118.700 0.042 0.000 2.461 2366 N HA -0.026 4.719 4.740 0.008 0.000 0.188 2366 N C 0.875 176.391 175.510 0.010 0.000 1.134 2366 N CA 0.830 53.873 53.050 -0.012 0.000 0.878 2366 N CB -0.345 38.083 38.487 -0.099 0.000 0.972 2366 N HN -0.069 nan 8.380 nan 0.000 0.456 2367 S N -0.855 114.884 115.700 0.066 0.000 2.548 2367 S HA 0.041 4.516 4.470 0.008 0.000 0.215 2367 S C 0.680 175.427 174.600 0.245 0.000 0.976 2367 S CA 0.218 58.469 58.200 0.085 0.000 0.908 2367 S CB -0.179 63.049 63.200 0.048 0.000 0.781 2367 S HN 0.696 nan 8.310 nan 0.000 0.519 2368 T N -1.018 113.639 114.554 0.171 0.000 2.944 2368 T HA 0.512 4.866 4.350 0.008 0.000 0.284 2368 T C 1.044 175.778 174.700 0.057 0.000 1.010 2368 T CA -0.764 61.415 62.100 0.132 0.000 1.025 2368 T CB 1.096 69.989 68.868 0.041 0.000 1.079 2368 T HN 0.044 nan 8.240 nan 0.000 0.516 2369 L N 1.179 122.420 121.223 0.030 0.000 2.046 2369 L HA -0.040 4.305 4.340 0.008 0.000 0.208 2369 L C 2.731 179.593 176.870 -0.013 0.000 1.077 2369 L CA 2.190 57.036 54.840 0.010 0.000 0.747 2369 L CB -0.654 41.405 42.059 -0.001 0.000 0.896 2369 L HN 1.064 nan 8.230 nan 0.000 0.432 2370 T N -4.653 109.879 114.554 -0.037 0.000 3.043 2370 T HA -0.024 4.331 4.350 0.008 0.000 0.263 2370 T C 1.052 175.702 174.700 -0.082 0.000 1.094 2370 T CA 0.598 62.661 62.100 -0.062 0.000 1.127 2370 T CB 0.119 68.936 68.868 -0.085 0.000 0.905 2370 T HN 0.231 nan 8.240 nan 0.000 0.490 2371 K N -0.107 120.244 120.400 -0.083 0.000 3.399 2371 K HA -0.041 4.284 4.320 0.008 0.000 0.298 2371 K C -0.746 175.743 176.600 -0.185 0.000 1.326 2371 K CA 0.460 56.702 56.287 -0.075 0.000 0.874 2371 K CB -2.396 30.089 32.500 -0.025 0.000 1.403 2371 K HN 0.675 nan 8.250 nan 0.000 0.492 2372 I N 0.154 120.494 120.570 -0.383 0.000 2.474 2372 I HA 0.427 4.601 4.170 0.008 0.000 0.294 2372 I C 1.193 176.773 176.117 -0.895 0.000 1.005 2372 I CA -0.950 59.850 61.300 -0.834 0.000 1.113 2372 I CB 1.987 39.557 38.000 -0.718 0.000 1.289 2372 I HN 0.157 nan 8.210 nan 0.000 0.436 2373 G N 5.733 113.566 108.800 -1.612 0.000 2.539 2373 G HA2 0.443 4.408 3.960 0.008 0.000 0.258 2373 G HA3 0.443 4.408 3.960 0.008 0.000 0.258 2373 G C -2.582 172.223 174.900 -0.159 0.000 1.202 2373 G CA -0.896 43.804 45.100 -0.667 0.000 0.851 2373 G HN 0.330 nan 8.290 nan 0.000 0.556 2374 P HA 0.156 nan 4.420 nan 0.000 0.276 2374 P C -0.124 177.411 177.300 0.392 0.000 1.244 2374 P CA -0.258 62.969 63.100 0.211 0.000 0.801 2374 P CB 1.839 33.704 31.700 0.275 0.000 1.006 2375 D N 0.158 120.763 120.400 0.341 0.000 2.183 2375 D HA -0.061 4.584 4.640 0.008 0.000 0.203 2375 D C 0.252 176.765 176.300 0.355 0.000 0.969 2375 D CA 1.091 55.293 54.000 0.337 0.000 0.842 2375 D CB 0.181 41.102 40.800 0.202 0.000 0.957 2375 D HN 0.441 nan 8.370 nan 0.000 0.484 2376 S N -1.609 114.307 115.700 0.361 0.000 2.537 2376 S HA 0.631 5.105 4.470 0.008 0.000 0.270 2376 S C -1.396 173.429 174.600 0.374 0.000 1.142 2376 S CA -1.081 57.240 58.200 0.201 0.000 0.870 2376 S CB 0.880 64.128 63.200 0.079 0.000 1.112 2376 S HN 0.330 nan 8.310 nan 0.000 0.466 2377 W N 0.439 121.760 121.300 0.035 0.000 3.066 2377 W HA 0.861 5.526 4.660 0.008 0.000 0.330 2377 W C -0.614 175.919 176.519 0.023 0.000 1.253 2377 W CA -0.719 56.663 57.345 0.062 0.000 1.187 2377 W CB 0.617 30.070 29.460 -0.011 0.000 1.434 2377 W HN 1.023 nan 8.180 nan 0.000 0.572 2378 G N -0.018 108.769 108.800 -0.021 0.000 2.658 2378 G HA2 0.606 4.571 3.960 0.008 0.000 0.292 2378 G HA3 0.606 4.571 3.960 0.008 0.000 0.292 2378 G C -1.620 173.211 174.900 -0.116 0.000 1.320 2378 G CA -0.644 44.277 45.100 -0.298 0.000 0.933 2378 G HN 1.280 nan 8.290 nan 0.000 0.476 2379 W N -0.444 120.817 121.300 -0.065 0.000 1.780 2379 W HA 0.359 5.023 4.660 0.008 0.000 0.256 2379 W C -0.349 176.323 176.519 0.255 0.000 0.844 2379 W CA -0.601 56.897 57.345 0.255 0.000 1.227 2379 W CB 0.407 30.167 29.460 0.500 0.000 1.006 2379 W HN 0.416 nan 8.180 nan 0.000 0.493 2380 D N 3.547 123.908 120.400 -0.065 0.000 2.389 2380 D HA 0.031 4.675 4.640 0.008 0.000 0.263 2380 D C -1.164 175.177 176.300 0.068 0.000 1.255 2380 D CA -1.402 52.567 54.000 -0.051 0.000 0.914 2380 D CB 1.462 42.213 40.800 -0.081 0.000 1.116 2380 D HN -0.059 nan 8.370 nan 0.000 0.502 2381 P HA -0.141 nan 4.420 nan 0.000 0.220 2381 P C 0.530 177.821 177.300 -0.015 0.000 1.144 2381 P CA 1.062 64.180 63.100 0.029 0.000 0.800 2381 P CB 0.269 32.029 31.700 0.101 0.000 0.772 2382 K N -0.831 119.561 120.400 -0.013 0.000 2.437 2382 K HA 0.179 4.504 4.320 0.008 0.000 0.205 2382 K C 0.535 177.097 176.600 -0.064 0.000 1.026 2382 K CA 0.230 56.500 56.287 -0.029 0.000 1.153 2382 K CB 0.434 32.928 32.500 -0.011 0.000 0.863 2382 K HN 0.244 nan 8.250 nan 0.000 0.502 2383 K N 0.534 120.868 120.400 -0.110 0.000 2.788 2383 K HA 0.162 4.486 4.320 0.008 0.000 0.190 2383 K C -0.528 175.724 176.600 -0.579 0.000 1.143 2383 K CA -0.096 56.062 56.287 -0.214 0.000 1.099 2383 K CB 1.506 33.954 32.500 -0.087 0.000 0.767 2383 K HN -0.217 nan 8.250 nan 0.000 0.466 2384 V N 3.465 123.081 119.914 -0.498 0.000 2.387 2384 V HA 0.130 4.255 4.120 0.008 0.000 0.260 2384 V C -2.177 173.693 176.094 -0.372 0.000 1.054 2384 V CA -1.631 60.296 62.300 -0.622 0.000 0.967 2384 V CB -0.158 31.435 31.823 -0.384 0.000 1.036 2384 V HN 0.111 nan 8.190 nan 0.000 0.481 2385 P HA -0.011 nan 4.420 nan 0.000 0.263 2385 P C 1.046 178.296 177.300 -0.084 0.000 1.168 2385 P CA 0.518 63.509 63.100 -0.183 0.000 0.759 2385 P CB 0.502 32.124 31.700 -0.130 0.000 0.782 2386 S N 1.945 117.611 115.700 -0.056 0.000 2.383 2386 S HA -0.188 4.286 4.470 0.008 0.000 0.229 2386 S C 1.212 175.813 174.600 0.002 0.000 1.030 2386 S CA 1.871 60.059 58.200 -0.021 0.000 1.002 2386 S CB -0.695 62.494 63.200 -0.019 0.000 0.829 2386 S HN 0.705 nan 8.310 nan 0.000 0.467 2387 D N 0.399 120.797 120.400 -0.004 0.000 2.363 2387 D HA -0.046 4.599 4.640 0.008 0.000 0.226 2387 D C 1.248 177.561 176.300 0.021 0.000 1.020 2387 D CA 0.436 54.439 54.000 0.005 0.000 0.892 2387 D CB -0.227 40.569 40.800 -0.006 0.000 0.900 2387 D HN 0.419 nan 8.370 nan 0.000 0.531 2388 Q N -0.614 119.211 119.800 0.042 0.000 2.140 2388 Q HA 0.149 4.494 4.340 0.008 0.000 0.227 2388 Q C 1.521 177.640 176.000 0.198 0.000 0.798 2388 Q CA -0.278 55.590 55.803 0.109 0.000 0.987 2388 Q CB 0.413 29.215 28.738 0.106 0.000 1.161 2388 Q HN 0.111 nan 8.270 nan 0.000 0.480 2389 K N 1.041 121.522 120.400 0.135 0.000 2.020 2389 K HA -0.254 4.071 4.320 0.008 0.000 0.212 2389 K C 1.230 177.959 176.600 0.216 0.000 1.050 2389 K CA 2.110 58.501 56.287 0.173 0.000 0.929 2389 K CB 0.133 32.695 32.500 0.104 0.000 0.714 2389 K HN 0.235 nan 8.250 nan 0.000 0.443 2390 E N -0.165 120.129 120.200 0.157 0.000 2.033 2390 E HA -0.246 4.109 4.350 0.008 0.000 0.199 2390 E C 1.871 178.558 176.600 0.144 0.000 1.011 2390 E CA 1.797 58.273 56.400 0.126 0.000 0.815 2390 E CB -0.370 29.392 29.700 0.103 0.000 0.755 2390 E HN 0.306 nan 8.360 nan 0.000 0.451 2391 F N 0.972 120.936 119.950 0.025 0.000 2.024 2391 F HA -0.373 4.159 4.527 0.007 0.000 0.296 2391 F C 2.375 178.152 175.800 -0.039 0.000 1.137 2391 F CA 2.231 60.217 58.000 -0.024 0.000 1.200 2391 F CB -0.926 38.056 39.000 -0.029 0.000 0.954 2391 F HN 0.114 nan 8.300 nan 0.000 0.497 2392 Y N 1.151 121.477 120.300 0.044 0.000 2.069 2392 Y HA -0.323 4.232 4.550 0.008 0.000 0.278 2392 Y C 2.420 178.288 175.900 -0.054 0.000 1.175 2392 Y CA 2.383 60.468 58.100 -0.026 0.000 1.134 2392 Y CB -1.079 37.506 38.460 0.208 0.000 0.965 2392 Y HN 0.248 nan 8.280 nan 0.000 0.498 2393 E N 0.289 120.413 120.200 -0.126 0.000 2.169 2393 E HA -0.279 4.075 4.350 0.008 0.000 0.202 2393 E C 2.085 178.514 176.600 -0.286 0.000 1.016 2393 E CA 2.631 58.909 56.400 -0.204 0.000 0.817 2393 E CB -0.209 29.491 29.700 -0.001 0.000 0.736 2393 E HN 0.790 nan 8.360 nan 0.000 0.462 2394 K N -1.751 118.489 120.400 -0.267 0.000 2.240 2394 K HA 0.295 4.620 4.320 0.008 0.000 0.202 2394 K C 2.201 178.602 176.600 -0.333 0.000 1.053 2394 K CA 0.663 56.798 56.287 -0.253 0.000 0.973 2394 K CB -0.138 32.255 32.500 -0.178 0.000 0.924 2394 K HN 0.048 nan 8.250 nan 0.000 0.477 2395 A N 1.073 123.588 122.820 -0.508 0.000 1.968 2395 A HA 0.221 4.545 4.320 0.008 0.000 0.217 2395 A C 1.864 179.245 177.584 -0.338 0.000 1.169 2395 A CA 1.417 53.121 52.037 -0.554 0.000 0.638 2395 A CB -0.715 17.584 19.000 -1.168 0.000 0.812 2395 A HN 0.718 nan 8.150 nan 0.000 0.446 2396 G N -2.799 105.770 108.800 -0.385 0.000 2.192 2396 G HA2 -0.026 3.938 3.960 0.008 0.000 0.193 2396 G HA3 -0.026 3.938 3.960 0.008 0.000 0.193 2396 G C 0.093 175.197 174.900 0.341 0.000 0.999 2396 G CA 0.206 45.213 45.100 -0.155 0.000 0.659 2396 G HN 1.712 nan 8.290 nan 0.000 0.503 2397 F N -1.461 118.701 119.950 0.354 0.000 2.858 2397 F HA 0.685 5.216 4.527 0.007 0.000 0.319 2397 F C -1.219 175.012 175.800 0.718 0.000 1.166 2397 F CA -2.410 56.006 58.000 0.693 0.000 0.899 2397 F CB 0.466 39.800 39.000 0.557 0.000 1.332 2397 F HN 0.569 nan 8.300 nan 0.000 0.461 2398 Y N 1.143 121.853 120.300 0.683 0.000 2.350 2398 Y HA 0.774 5.328 4.550 0.008 0.000 0.338 2398 Y C -0.476 175.798 175.900 0.623 0.000 0.961 2398 Y CA -2.052 56.341 58.100 0.488 0.000 1.100 2398 Y CB 0.762 39.404 38.460 0.303 0.000 1.179 2398 Y HN 0.700 nan 8.280 nan 0.000 0.454 2399 I N 3.153 124.093 120.570 0.617 0.000 2.752 2399 I HA -0.082 4.093 4.170 0.008 0.000 0.289 2399 I C 1.089 177.473 176.117 0.446 0.000 1.197 2399 I CA 0.693 62.319 61.300 0.543 0.000 1.432 2399 I CB 1.198 39.372 38.000 0.290 0.000 1.359 2399 I HN 0.951 nan 8.210 nan 0.000 0.571 2400 S N 3.519 119.460 115.700 0.403 0.000 2.505 2400 S HA 0.102 4.577 4.470 0.008 0.000 0.216 2400 S C 0.410 175.143 174.600 0.221 0.000 1.018 2400 S CA 0.096 58.479 58.200 0.305 0.000 0.911 2400 S CB 0.314 63.668 63.200 0.256 0.000 0.818 2400 S HN 0.703 nan 8.310 nan 0.000 0.497 2401 S N -0.713 115.126 115.700 0.233 0.000 2.626 2401 S HA 0.541 5.016 4.470 0.008 0.000 0.275 2401 S C 0.188 174.905 174.600 0.195 0.000 1.175 2401 S CA -0.068 58.244 58.200 0.186 0.000 0.982 2401 S CB 0.958 64.261 63.200 0.172 0.000 1.093 2401 S HN 0.340 nan 8.310 nan 0.000 0.472 2402 G N 2.239 111.131 108.800 0.153 0.000 3.141 2402 G HA2 0.228 4.193 3.960 0.008 0.000 0.218 2402 G HA3 0.228 4.193 3.960 0.008 0.000 0.218 2402 G C 0.290 175.273 174.900 0.137 0.000 1.170 2402 G CA -0.115 45.065 45.100 0.132 0.000 0.769 2402 G HN 0.631 nan 8.290 nan 0.000 0.546 2403 S N -0.422 115.373 115.700 0.159 0.000 2.592 2403 S HA 0.461 4.935 4.470 0.008 0.000 0.271 2403 S C -1.102 173.580 174.600 0.138 0.000 1.326 2403 S CA -0.137 58.154 58.200 0.153 0.000 1.024 2403 S CB 1.095 64.404 63.200 0.182 0.000 0.921 2403 S HN 0.318 nan 8.310 nan 0.000 0.527 2404 Y N 1.502 121.751 120.300 -0.085 0.000 2.315 2404 Y HA 0.442 4.996 4.550 0.008 0.000 0.324 2404 Y C -0.459 175.319 175.900 -0.203 0.000 1.062 2404 Y CA -0.838 57.181 58.100 -0.136 0.000 1.159 2404 Y CB 1.018 39.406 38.460 -0.120 0.000 1.145 2404 Y HN 0.338 nan 8.280 nan 0.000 0.442 2405 V N 8.625 128.107 119.914 -0.719 0.000 3.023 2405 V HA 0.269 4.393 4.120 0.008 0.000 0.384 2405 V C 0.251 176.001 176.094 -0.573 0.000 1.289 2405 V CA -0.043 61.901 62.300 -0.594 0.000 1.383 2405 V CB -1.281 30.362 31.823 -0.299 0.000 1.388 2405 V HN 0.953 nan 8.190 nan 0.000 0.551 2406 L N 0.793 121.322 121.223 -1.158 0.000 3.717 2406 L HA -0.192 4.153 4.340 0.008 0.000 0.414 2406 L C 0.788 177.543 176.870 -0.191 0.000 1.228 2406 L CA 0.472 54.952 54.840 -0.601 0.000 0.918 2406 L CB -1.522 40.437 42.059 -0.168 0.000 1.865 2406 L HN 0.501 nan 8.230 nan 0.000 0.922 2407 R N 1.460 121.681 120.500 -0.466 0.000 2.539 2407 R HA 0.224 4.569 4.340 0.008 0.000 0.275 2407 R C -1.148 175.234 176.300 0.137 0.000 1.077 2407 R CA -0.959 55.022 56.100 -0.199 0.000 1.097 2407 R CB 0.651 30.709 30.300 -0.403 0.000 1.018 2407 R HN 0.026 nan 8.270 nan 0.000 0.483 2408 P HA 0.103 nan 4.420 nan 0.000 0.268 2408 P C -0.034 177.392 177.300 0.210 0.000 1.248 2408 P CA 0.365 63.596 63.100 0.218 0.000 0.851 2408 P CB 0.569 32.386 31.700 0.194 0.000 1.238 2409 E N 0.510 120.854 120.200 0.240 0.000 2.114 2409 E HA -0.140 4.215 4.350 0.008 0.000 0.199 2409 E C 2.066 178.625 176.600 -0.069 0.000 1.008 2409 E CA 1.378 57.867 56.400 0.147 0.000 0.810 2409 E CB -1.277 28.561 29.700 0.230 0.000 0.739 2409 E HN 0.057 nan 8.360 nan 0.000 0.456 2410 V N 0.591 120.367 119.914 -0.230 0.000 2.323 2410 V HA -0.191 3.934 4.120 0.008 0.000 0.244 2410 V C 2.153 177.670 176.094 -0.962 0.000 1.041 2410 V CA 1.451 63.334 62.300 -0.695 0.000 1.025 2410 V CB -0.356 30.854 31.823 -1.021 0.000 0.656 2410 V HN 0.263 nan 8.190 nan 0.000 0.451 2411 I N 0.110 120.345 120.570 -0.559 0.000 2.361 2411 I HA -0.250 3.924 4.170 0.008 0.000 0.251 2411 I C 2.583 178.578 176.117 -0.204 0.000 1.133 2411 I CA 1.736 62.858 61.300 -0.296 0.000 1.413 2411 I CB -0.290 37.731 38.000 0.035 0.000 1.073 2411 I HN 0.472 nan 8.210 nan 0.000 0.424 2412 E N 0.947 120.973 120.200 -0.290 0.000 2.031 2412 E HA -0.222 4.132 4.350 0.008 0.000 0.193 2412 E C 2.230 178.748 176.600 -0.138 0.000 0.994 2412 E CA 1.812 57.880 56.400 -0.554 0.000 0.800 2412 E CB 0.057 29.519 29.700 -0.396 0.000 0.752 2412 E HN 0.329 nan 8.360 nan 0.000 0.447 2413 S N -0.135 115.537 115.700 -0.046 0.000 2.399 2413 S HA -0.066 4.408 4.470 0.008 0.000 0.231 2413 S C 1.563 176.295 174.600 0.221 0.000 1.022 2413 S CA 0.798 59.062 58.200 0.107 0.000 0.983 2413 S CB -0.313 62.900 63.200 0.021 0.000 0.803 2413 S HN 0.335 nan 8.310 nan 0.000 0.480 2414 F N -0.207 119.776 119.950 0.055 0.000 2.186 2414 F HA -0.137 4.394 4.527 0.008 0.000 0.299 2414 F C 2.298 178.141 175.800 0.071 0.000 1.090 2414 F CA 0.918 58.980 58.000 0.103 0.000 1.307 2414 F CB -0.329 38.782 39.000 0.184 0.000 1.019 2414 F HN 0.264 nan 8.300 nan 0.000 0.489 2415 Y N 0.071 120.442 120.300 0.117 0.000 2.145 2415 Y HA -0.331 4.223 4.550 0.007 0.000 0.286 2415 Y C 2.233 178.107 175.900 -0.044 0.000 1.145 2415 Y CA 1.656 59.742 58.100 -0.024 0.000 1.148 2415 Y CB -0.920 37.396 38.460 -0.240 0.000 0.981 2415 Y HN -0.023 nan 8.280 nan 0.000 0.507 2416 Y N -0.076 120.102 120.300 -0.202 0.000 2.224 2416 Y HA -0.221 4.334 4.550 0.008 0.000 0.289 2416 Y C 2.666 178.412 175.900 -0.256 0.000 1.146 2416 Y CA 1.131 59.068 58.100 -0.272 0.000 1.182 2416 Y CB -0.648 37.759 38.460 -0.089 0.000 0.983 2416 Y HN 0.292 nan 8.280 nan 0.000 0.524 2417 A N -0.716 122.054 122.820 -0.083 0.000 1.978 2417 A HA -0.292 4.033 4.320 0.008 0.000 0.220 2417 A C 1.809 179.153 177.584 -0.400 0.000 1.170 2417 A CA 2.217 54.016 52.037 -0.397 0.000 0.636 2417 A CB -0.916 17.630 19.000 -0.757 0.000 0.810 2417 A HN 0.648 nan 8.150 nan 0.000 0.448 2418 H N -0.995 117.911 119.070 -0.273 0.000 2.448 2418 H HA 0.111 4.672 4.556 0.008 0.000 0.292 2418 H C 2.076 177.302 175.328 -0.170 0.000 1.035 2418 H CA 1.075 57.049 56.048 -0.124 0.000 1.349 2418 H CB 0.075 29.795 29.762 -0.070 0.000 1.425 2418 H HN 0.217 nan 8.280 nan 0.000 0.539 2419 R N 0.035 120.307 120.500 -0.379 0.000 2.148 2419 R HA 0.003 4.348 4.340 0.008 0.000 0.223 2419 R C 2.106 178.267 176.300 -0.231 0.000 1.088 2419 R CA 0.895 56.766 56.100 -0.383 0.000 0.985 2419 R CB -0.462 29.592 30.300 -0.410 0.000 0.880 2419 R HN 0.306 nan 8.270 nan 0.000 0.451 2420 V N 0.542 120.358 119.914 -0.164 0.000 2.374 2420 V HA -0.128 3.997 4.120 0.008 0.000 0.241 2420 V C 2.470 178.513 176.094 -0.086 0.000 1.034 2420 V CA 2.172 64.421 62.300 -0.085 0.000 1.037 2420 V CB -0.497 31.305 31.823 -0.034 0.000 0.682 2420 V HN 0.430 nan 8.190 nan 0.000 0.463 2421 T N -2.551 111.945 114.554 -0.096 0.000 3.014 2421 T HA 0.189 4.543 4.350 0.008 0.000 0.263 2421 T C 1.725 176.397 174.700 -0.047 0.000 1.078 2421 T CA 1.389 63.468 62.100 -0.034 0.000 1.135 2421 T CB 0.428 69.328 68.868 0.054 0.000 0.895 2421 T HN 0.975 nan 8.240 nan 0.000 0.480 2422 G N 1.623 110.343 108.800 -0.134 0.000 2.234 2422 G HA2 -0.260 3.705 3.960 0.008 0.000 0.260 2422 G HA3 -0.260 3.705 3.960 0.008 0.000 0.260 2422 G C 0.203 175.074 174.900 -0.048 0.000 0.987 2422 G CA 0.235 45.219 45.100 -0.192 0.000 0.625 2422 G HN 0.644 nan 8.290 nan 0.000 0.532 2423 K N 0.568 121.008 120.400 0.067 0.000 2.485 2423 K HA 0.172 4.497 4.320 0.008 0.000 0.277 2423 K C 1.166 177.790 176.600 0.041 0.000 0.990 2423 K CA 0.127 56.428 56.287 0.024 0.000 0.994 2423 K CB 1.057 33.532 32.500 -0.041 0.000 0.906 2423 K HN 0.265 nan 8.250 nan 0.000 0.488 2424 E N 2.609 122.756 120.200 -0.088 0.000 2.208 2424 E HA -0.069 4.286 4.350 0.008 0.000 0.193 2424 E C 1.605 178.027 176.600 -0.297 0.000 0.988 2424 E CA 0.519 56.850 56.400 -0.114 0.000 0.828 2424 E CB -0.074 29.563 29.700 -0.104 0.000 0.763 2424 E HN 0.635 nan 8.360 nan 0.000 0.478 2425 I N -0.231 120.018 120.570 -0.534 0.000 2.248 2425 I HA -0.360 3.815 4.170 0.008 0.000 0.248 2425 I C 1.340 176.806 176.117 -1.084 0.000 1.107 2425 I CA 1.380 62.174 61.300 -0.844 0.000 1.373 2425 I CB -0.044 37.291 38.000 -1.108 0.000 1.055 2425 I HN 0.232 nan 8.210 nan 0.000 0.418 2426 Y N 0.270 120.195 120.300 -0.626 0.000 2.200 2426 Y HA -0.239 4.315 4.550 0.008 0.000 0.290 2426 Y C 2.687 178.422 175.900 -0.275 0.000 1.137 2426 Y CA 1.408 59.210 58.100 -0.496 0.000 1.163 2426 Y CB -0.399 37.926 38.460 -0.226 0.000 0.988 2426 Y HN 0.131 nan 8.280 nan 0.000 0.518 2427 R N 0.571 120.939 120.500 -0.219 0.000 2.235 2427 R HA -0.128 4.217 4.340 0.008 0.000 0.213 2427 R C 1.004 177.296 176.300 -0.013 0.000 1.059 2427 R CA 1.460 57.377 56.100 -0.305 0.000 0.997 2427 R CB -0.098 29.802 30.300 -0.668 0.000 0.884 2427 R HN 0.232 nan 8.270 nan 0.000 0.462 2428 D N -0.501 119.887 120.400 -0.021 0.000 2.162 2428 D HA -0.117 4.528 4.640 0.008 0.000 0.205 2428 D C 1.242 177.762 176.300 0.368 0.000 0.964 2428 D CA 0.798 54.899 54.000 0.168 0.000 0.847 2428 D CB -0.253 40.575 40.800 0.047 0.000 0.988 2428 D HN 0.266 nan 8.370 nan 0.000 0.480 2429 W N 1.190 122.482 121.300 -0.014 0.000 2.392 2429 W HA -0.045 4.619 4.660 0.007 0.000 0.279 2429 W C 2.112 178.756 176.519 0.208 0.000 1.225 2429 W CA 0.128 57.422 57.345 -0.085 0.000 1.233 2429 W CB -1.067 28.006 29.460 -0.646 0.000 1.122 2429 W HN -0.125 nan 8.180 nan 0.000 0.561 2430 V N -0.808 119.421 119.914 0.526 0.000 2.407 2430 V HA -0.238 3.887 4.120 0.008 0.000 0.245 2430 V C 2.050 178.478 176.094 0.558 0.000 1.041 2430 V CA 1.613 64.249 62.300 0.558 0.000 1.040 2430 V CB -0.881 31.213 31.823 0.452 0.000 0.671 2430 V HN 0.303 nan 8.190 nan 0.000 0.455 2431 W N 1.348 122.879 121.300 0.385 0.000 2.388 2431 W HA -0.154 4.511 4.660 0.008 0.000 0.294 2431 W C 1.969 178.674 176.519 0.310 0.000 1.212 2431 W CA 1.667 59.225 57.345 0.355 0.000 1.271 2431 W CB -0.168 29.465 29.460 0.288 0.000 1.126 2431 W HN 0.394 nan 8.180 nan 0.000 0.535 2432 N N 0.303 119.176 118.700 0.287 0.000 2.331 2432 N HA -0.096 4.649 4.740 0.008 0.000 0.180 2432 N C 1.960 177.531 175.510 0.101 0.000 1.019 2432 N CA 1.021 54.150 53.050 0.131 0.000 0.881 2432 N CB -0.297 38.315 38.487 0.209 0.000 0.972 2432 N HN 0.039 nan 8.380 nan 0.000 0.435 2433 A N 0.986 123.942 122.820 0.227 0.000 1.874 2433 A HA -0.091 4.234 4.320 0.008 0.000 0.214 2433 A C 1.909 179.573 177.584 0.134 0.000 1.189 2433 A CA 0.707 52.895 52.037 0.252 0.000 0.615 2433 A CB -0.816 18.388 19.000 0.341 0.000 0.830 2433 A HN 0.341 nan 8.150 nan 0.000 0.443 2434 F N 0.953 120.903 119.950 -0.000 0.000 2.126 2434 F HA -0.158 4.373 4.527 0.007 0.000 0.299 2434 F C 2.148 177.805 175.800 -0.239 0.000 1.096 2434 F CA 1.915 59.853 58.000 -0.103 0.000 1.255 2434 F CB -0.378 38.564 39.000 -0.097 0.000 0.997 2434 F HN 0.019 nan 8.300 nan 0.000 0.479 2435 V N 0.516 120.092 119.914 -0.564 0.000 2.343 2435 V HA -0.277 3.848 4.120 0.008 0.000 0.247 2435 V C 2.761 178.617 176.094 -0.396 0.000 1.051 2435 V CA 1.684 63.604 62.300 -0.634 0.000 1.036 2435 V CB -1.496 29.994 31.823 -0.554 0.000 0.654 2435 V HN 0.501 nan 8.190 nan 0.000 0.451 2436 A N 0.050 122.718 122.820 -0.253 0.000 1.877 2436 A HA -0.192 4.133 4.320 0.008 0.000 0.216 2436 A C 2.167 179.639 177.584 -0.187 0.000 1.186 2436 A CA 2.015 53.948 52.037 -0.173 0.000 0.620 2436 A CB -0.551 18.377 19.000 -0.119 0.000 0.822 2436 A HN 0.502 nan 8.150 nan 0.000 0.443 2437 I N -0.264 120.177 120.570 -0.215 0.000 2.226 2437 I HA -0.267 3.908 4.170 0.008 0.000 0.245 2437 I C 2.367 178.392 176.117 -0.152 0.000 1.100 2437 I CA 1.759 62.965 61.300 -0.157 0.000 1.374 2437 I CB -0.428 37.503 38.000 -0.114 0.000 1.057 2437 I HN 0.435 nan 8.210 nan 0.000 0.413 2438 N N 0.384 118.868 118.700 -0.361 0.000 2.289 2438 N HA -0.171 4.574 4.740 0.008 0.000 0.184 2438 N C 1.798 177.261 175.510 -0.079 0.000 1.016 2438 N CA 1.598 54.509 53.050 -0.232 0.000 0.872 2438 N CB 0.061 38.211 38.487 -0.562 0.000 0.973 2438 N HN 0.387 nan 8.380 nan 0.000 0.433 2439 S N -3.285 112.341 115.700 -0.123 0.000 2.492 2439 S HA 0.114 4.588 4.470 0.008 0.000 0.218 2439 S C 1.665 176.245 174.600 -0.034 0.000 1.016 2439 S CA 0.459 58.616 58.200 -0.072 0.000 0.916 2439 S CB -0.016 63.131 63.200 -0.088 0.000 0.791 2439 S HN 0.157 nan 8.310 nan 0.000 0.513 2440 T N 1.053 115.591 114.554 -0.028 0.000 2.983 2440 T HA 0.111 4.466 4.350 0.008 0.000 0.250 2440 T C 1.648 176.376 174.700 0.047 0.000 1.037 2440 T CA 0.972 63.071 62.100 -0.002 0.000 1.142 2440 T CB -0.394 68.460 68.868 -0.023 0.000 0.876 2440 T HN 0.515 nan 8.240 nan 0.000 0.455 2441 C N 1.102 120.461 119.300 0.099 0.000 2.780 2441 C HA 0.371 4.835 4.460 0.008 0.000 0.267 2441 C C 1.316 176.422 174.990 0.193 0.000 1.266 2441 C CA -1.058 58.059 59.018 0.166 0.000 1.709 2441 C CB -0.977 26.905 27.740 0.237 0.000 1.975 2441 C HN 0.387 nan 8.230 nan 0.000 0.582 2442 R N 2.262 122.866 120.500 0.174 0.000 2.537 2442 R HA 0.318 4.663 4.340 0.008 0.000 0.280 2442 R C 0.508 176.760 176.300 -0.079 0.000 1.058 2442 R CA 0.830 56.913 56.100 -0.029 0.000 1.057 2442 R CB 0.587 30.848 30.300 -0.066 0.000 0.973 2442 R HN 0.572 nan 8.270 nan 0.000 0.438 2443 T N -0.741 113.739 114.554 -0.123 0.000 2.762 2443 T HA 0.234 4.589 4.350 0.008 0.000 0.272 2443 T C 0.414 175.117 174.700 0.005 0.000 0.982 2443 T CA -0.859 61.205 62.100 -0.060 0.000 1.013 2443 T CB 1.138 69.962 68.868 -0.072 0.000 1.309 2443 T HN 0.462 nan 8.240 nan 0.000 0.572 2444 D N 0.459 120.861 120.400 0.004 0.000 2.224 2444 D HA -0.014 4.631 4.640 0.008 0.000 0.205 2444 D C 2.173 178.520 176.300 0.079 0.000 0.965 2444 D CA 1.661 55.703 54.000 0.070 0.000 0.852 2444 D CB -0.101 40.716 40.800 0.028 0.000 0.947 2444 D HN 0.635 nan 8.370 nan 0.000 0.494 2445 S N -1.437 114.225 115.700 -0.063 0.000 2.499 2445 S HA 0.381 4.856 4.470 0.008 0.000 0.225 2445 S C 1.204 175.570 174.600 -0.389 0.000 1.050 2445 S CA 0.514 58.634 58.200 -0.134 0.000 0.928 2445 S CB 1.340 64.479 63.200 -0.101 0.000 0.803 2445 S HN 0.270 nan 8.310 nan 0.000 0.506 2446 G N 0.332 108.906 108.800 -0.378 0.000 2.929 2446 G HA2 0.536 4.500 3.960 0.008 0.000 0.123 2446 G HA3 0.536 4.500 3.960 0.008 0.000 0.123 2446 G C -1.785 172.704 174.900 -0.685 0.000 1.212 2446 G CA -0.679 44.116 45.100 -0.509 0.000 1.238 2446 G HN 0.241 nan 8.290 nan 0.000 0.617 2447 F N 0.771 120.709 119.950 -0.021 0.000 2.578 2447 F HA 0.818 5.350 4.527 0.007 0.000 0.311 2447 F C 0.340 176.107 175.800 -0.054 0.000 1.094 2447 F CA -0.532 57.460 58.000 -0.014 0.000 0.923 2447 F CB 2.611 41.594 39.000 -0.029 0.000 1.230 2447 F HN 0.664 nan 8.300 nan 0.000 0.450 2448 A N 1.301 124.195 122.820 0.124 0.000 2.413 2448 A HA 0.912 5.237 4.320 0.008 0.000 0.307 2448 A C -0.724 176.862 177.584 0.003 0.000 1.087 2448 A CA -0.629 51.431 52.037 0.038 0.000 0.750 2448 A CB 1.110 20.132 19.000 0.036 0.000 1.296 2448 A HN 1.055 nan 8.150 nan 0.000 0.423 2449 A N 0.290 123.035 122.820 -0.125 0.000 2.406 2449 A HA 0.578 4.903 4.320 0.008 0.000 0.243 2449 A C 0.423 177.903 177.584 -0.173 0.000 1.082 2449 A CA 0.439 52.286 52.037 -0.317 0.000 0.786 2449 A CB -0.104 18.441 19.000 -0.759 0.000 1.029 2449 A HN 2.204 nan 8.150 nan 0.000 0.495 2450 V N -1.155 118.688 119.914 -0.118 0.000 3.001 2450 V HA 0.699 4.823 4.120 0.008 0.000 0.314 2450 V C 0.774 176.988 176.094 0.199 0.000 1.099 2450 V CA 0.152 62.516 62.300 0.107 0.000 0.989 2450 V CB 1.282 33.173 31.823 0.113 0.000 1.040 2450 V HN 1.366 nan 8.190 nan 0.000 0.434 2451 S N -0.434 115.438 115.700 0.286 0.000 2.446 2451 S HA 0.099 4.574 4.470 0.008 0.000 0.225 2451 S C 0.477 175.173 174.600 0.159 0.000 1.016 2451 S CA 1.022 59.389 58.200 0.279 0.000 0.943 2451 S CB -0.124 63.186 63.200 0.183 0.000 0.786 2451 S HN 0.944 nan 8.310 nan 0.000 0.508 2452 D N 1.437 121.903 120.400 0.109 0.000 2.386 2452 D HA 0.234 4.879 4.640 0.008 0.000 0.247 2452 D C 0.888 177.212 176.300 0.040 0.000 1.336 2452 D CA -0.312 53.729 54.000 0.069 0.000 0.976 2452 D CB 1.955 42.781 40.800 0.043 0.000 1.257 2452 D HN 0.094 nan 8.370 nan 0.000 0.570 2453 V N 1.645 121.579 119.914 0.034 0.000 3.186 2453 V HA 0.006 4.131 4.120 0.008 0.000 0.270 2453 V C 0.844 176.922 176.094 -0.027 0.000 1.149 2453 V CA 0.881 63.171 62.300 -0.017 0.000 1.160 2453 V CB -0.644 31.142 31.823 -0.062 0.000 0.758 2453 V HN 0.287 nan 8.190 nan 0.000 0.516 2454 N N 0.978 119.667 118.700 -0.018 0.000 2.660 2454 N HA 0.361 5.106 4.740 0.008 0.000 0.316 2454 N C -0.733 174.756 175.510 -0.036 0.000 1.774 2454 N CA -0.237 52.789 53.050 -0.040 0.000 0.946 2454 N CB 0.103 38.532 38.487 -0.097 0.000 1.322 2454 N HN 0.608 nan 8.380 nan 0.000 0.492 2455 K N -0.379 120.010 120.400 -0.018 0.000 2.562 2455 K HA 0.518 4.843 4.320 0.008 0.000 0.267 2455 K C -1.068 175.528 176.600 -0.006 0.000 0.938 2455 K CA -0.958 55.323 56.287 -0.011 0.000 0.840 2455 K CB 1.864 34.362 32.500 -0.003 0.000 1.390 2455 K HN 0.130 nan 8.250 nan 0.000 0.428 2456 A N 2.381 125.198 122.820 -0.005 0.000 2.587 2456 A HA -0.034 4.291 4.320 0.008 0.000 0.235 2456 A C 0.383 177.967 177.584 -0.000 0.000 1.044 2456 A CA 0.561 52.596 52.037 -0.004 0.000 0.754 2456 A CB -0.392 18.606 19.000 -0.003 0.000 0.968 2456 A HN 0.931 nan 8.150 nan 0.000 0.509 2457 N N 0.805 119.503 118.700 -0.003 0.000 2.678 2457 N HA -0.266 4.479 4.740 0.008 0.000 0.249 2457 N C 0.962 176.480 175.510 0.014 0.000 1.119 2457 N CA 2.472 55.523 53.050 0.002 0.000 0.718 2457 N CB -1.677 36.813 38.487 0.004 0.000 1.060 2457 N HN 2.188 nan 8.380 nan 0.000 0.552 2458 G N -2.073 106.734 108.800 0.012 0.000 2.162 2458 G HA2 -0.009 3.955 3.960 0.008 0.000 0.260 2458 G HA3 -0.009 3.955 3.960 0.008 0.000 0.260 2458 G C 1.191 176.119 174.900 0.047 0.000 0.976 2458 G CA 1.125 46.243 45.100 0.030 0.000 0.655 2458 G HN 1.611 nan 8.290 nan 0.000 0.533 2459 G N -1.258 107.562 108.800 0.033 0.000 3.031 2459 G HA2 0.016 3.981 3.960 0.008 0.000 0.289 2459 G HA3 0.016 3.981 3.960 0.008 0.000 0.289 2459 G C 0.311 175.235 174.900 0.040 0.000 1.393 2459 G CA 0.674 45.795 45.100 0.035 0.000 1.010 2459 G HN 1.874 nan 8.290 nan 0.000 0.579 2460 S N 0.978 116.715 115.700 0.062 0.000 2.526 2460 S HA 0.636 5.111 4.470 0.008 0.000 0.293 2460 S C -0.311 174.360 174.600 0.117 0.000 1.092 2460 S CA -0.673 57.563 58.200 0.060 0.000 0.980 2460 S CB 2.065 65.282 63.200 0.029 0.000 1.048 2460 S HN 0.650 nan 8.310 nan 0.000 0.483 2461 K N 1.407 121.867 120.400 0.101 0.000 2.185 2461 K HA 0.357 4.681 4.320 0.008 0.000 0.271 2461 K C -1.215 175.504 176.600 0.198 0.000 1.013 2461 K CA -0.321 56.053 56.287 0.144 0.000 0.943 2461 K CB 0.480 33.026 32.500 0.077 0.000 0.998 2461 K HN 0.469 nan 8.250 nan 0.000 0.468 2462 Y N 0.673 120.968 120.300 -0.009 0.000 2.320 2462 Y HA 0.034 4.589 4.550 0.008 0.000 0.324 2462 Y C 0.515 176.395 175.900 -0.033 0.000 1.190 2462 Y CA -0.969 57.119 58.100 -0.020 0.000 1.215 2462 Y CB 0.890 39.337 38.460 -0.022 0.000 1.221 2462 Y HN 0.542 nan 8.280 nan 0.000 0.486 2463 D N 2.630 123.101 120.400 0.119 0.000 2.713 2463 D HA 0.039 4.684 4.640 0.008 0.000 0.229 2463 D C -0.724 175.600 176.300 0.041 0.000 1.136 2463 D CA 0.229 54.250 54.000 0.036 0.000 1.010 2463 D CB -0.612 40.179 40.800 -0.016 0.000 1.084 2463 D HN 0.540 nan 8.370 nan 0.000 0.495 2464 N N 1.685 120.415 118.700 0.051 0.000 2.369 2464 N HA 0.135 4.880 4.740 0.008 0.000 0.287 2464 N C -1.768 173.703 175.510 -0.065 0.000 1.067 2464 N CA -0.403 52.648 53.050 0.003 0.000 0.888 2464 N CB 1.494 40.012 38.487 0.051 0.000 1.616 2464 N HN 0.139 nan 8.380 nan 0.000 0.482 2465 Q N 3.126 122.869 119.800 -0.096 0.000 2.695 2465 Q HA 0.172 4.516 4.340 0.008 0.000 0.246 2465 Q C -1.028 174.831 176.000 -0.234 0.000 0.961 2465 Q CA -0.562 55.154 55.803 -0.146 0.000 0.708 2465 Q CB 0.964 29.649 28.738 -0.088 0.000 1.282 2465 Q HN 0.532 nan 8.270 nan 0.000 0.482 2466 E N 0.815 120.764 120.200 -0.419 0.000 2.415 2466 E HA -0.029 4.326 4.350 0.008 0.000 0.262 2466 E C 1.014 177.275 176.600 -0.565 0.000 1.038 2466 E CA 0.586 56.592 56.400 -0.657 0.000 0.921 2466 E CB 1.256 30.078 29.700 -1.463 0.000 0.950 2466 E HN 0.794 nan 8.360 nan 0.000 0.438 2467 S N 2.192 117.670 115.700 -0.370 0.000 2.419 2467 S HA -0.216 4.258 4.470 0.008 0.000 0.235 2467 S C 1.631 176.226 174.600 -0.008 0.000 1.019 2467 S CA 1.263 59.408 58.200 -0.092 0.000 0.982 2467 S CB -0.592 62.588 63.200 -0.034 0.000 0.789 2467 S HN 0.560 nan 8.310 nan 0.000 0.490 2468 F N 1.270 121.223 119.950 0.005 0.000 2.722 2468 F HA 0.294 4.825 4.527 0.007 0.000 0.298 2468 F C 1.789 177.572 175.800 -0.029 0.000 1.175 2468 F CA -0.425 57.569 58.000 -0.010 0.000 1.462 2468 F CB -0.707 38.280 39.000 -0.021 0.000 1.111 2468 F HN 0.173 nan 8.300 nan 0.000 0.592 2469 L N 0.109 121.349 121.223 0.029 0.000 2.027 2469 L HA -0.116 4.229 4.340 0.008 0.000 0.206 2469 L C 1.941 178.754 176.870 -0.095 0.000 1.074 2469 L CA 2.052 56.834 54.840 -0.097 0.000 0.745 2469 L CB -1.005 40.838 42.059 -0.360 0.000 0.898 2469 L HN 0.205 nan 8.230 nan 0.000 0.433 2470 F N 0.416 120.402 119.950 0.059 0.000 2.128 2470 F HA -0.047 4.484 4.527 0.007 0.000 0.295 2470 F C 2.694 178.593 175.800 0.164 0.000 1.100 2470 F CA 1.155 59.224 58.000 0.115 0.000 1.260 2470 F CB -0.569 38.462 39.000 0.051 0.000 1.009 2470 F HN 0.174 nan 8.300 nan 0.000 0.476 2471 A N -0.222 122.769 122.820 0.285 0.000 1.897 2471 A HA -0.112 4.213 4.320 0.008 0.000 0.215 2471 A C 1.960 179.508 177.584 -0.059 0.000 1.181 2471 A CA 1.770 53.864 52.037 0.095 0.000 0.620 2471 A CB -0.404 18.585 19.000 -0.019 0.000 0.821 2471 A HN 0.420 nan 8.150 nan 0.000 0.443 2472 E N -1.077 119.122 120.200 -0.002 0.000 2.192 2472 E HA 0.057 4.411 4.350 0.008 0.000 0.196 2472 E C 1.959 178.567 176.600 0.013 0.000 0.922 2472 E CA 0.591 56.932 56.400 -0.097 0.000 0.924 2472 E CB -0.165 29.554 29.700 0.031 0.000 0.911 2472 E HN 0.240 nan 8.360 nan 0.000 0.478 2473 V N 2.073 122.064 119.914 0.129 0.000 2.287 2473 V HA -0.277 3.848 4.120 0.008 0.000 0.248 2473 V C 2.392 178.566 176.094 0.133 0.000 1.053 2473 V CA 1.567 63.969 62.300 0.170 0.000 1.027 2473 V CB -0.379 31.536 31.823 0.153 0.000 0.646 2473 V HN 0.304 nan 8.190 nan 0.000 0.447 2474 M N -0.410 119.256 119.600 0.109 0.000 2.175 2474 M HA -0.129 4.356 4.480 0.008 0.000 0.264 2474 M C 2.143 178.468 176.300 0.042 0.000 1.063 2474 M CA 1.652 57.026 55.300 0.122 0.000 1.119 2474 M CB -1.161 31.630 32.600 0.317 0.000 1.377 2474 M HN 0.354 nan 8.290 nan 0.000 0.415 2475 K N -0.339 120.038 120.400 -0.039 0.000 2.001 2475 K HA -0.158 4.167 4.320 0.008 0.000 0.208 2475 K C 2.035 178.555 176.600 -0.132 0.000 1.048 2475 K CA 1.454 57.657 56.287 -0.142 0.000 0.932 2475 K CB -0.234 32.084 32.500 -0.304 0.000 0.715 2475 K HN 0.259 nan 8.250 nan 0.000 0.437 2476 Y N 0.691 120.904 120.300 -0.145 0.000 2.224 2476 Y HA -0.198 4.356 4.550 0.007 0.000 0.289 2476 Y C 2.650 178.484 175.900 -0.110 0.000 1.146 2476 Y CA 0.872 58.795 58.100 -0.294 0.000 1.182 2476 Y CB 0.109 38.431 38.460 -0.230 0.000 0.983 2476 Y HN 0.155 nan 8.280 nan 0.000 0.524 2477 S N -0.761 115.036 115.700 0.161 0.000 2.383 2477 S HA -0.217 4.257 4.470 0.008 0.000 0.227 2477 S C 1.657 176.385 174.600 0.213 0.000 1.026 2477 S CA 1.259 59.554 58.200 0.158 0.000 0.981 2477 S CB -0.524 62.659 63.200 -0.029 0.000 0.818 2477 S HN 0.513 nan 8.310 nan 0.000 0.472 2478 Y N 2.233 122.527 120.300 -0.011 0.000 2.184 2478 Y HA 0.055 4.609 4.550 0.007 0.000 0.290 2478 Y C 1.833 177.778 175.900 0.075 0.000 1.129 2478 Y CA 1.047 59.154 58.100 0.012 0.000 1.144 2478 Y CB -0.543 37.862 38.460 -0.090 0.000 0.995 2478 Y HN 0.113 nan 8.280 nan 0.000 0.513 2479 L N -0.009 121.176 121.223 -0.064 0.000 2.127 2479 L HA -0.228 4.117 4.340 0.008 0.000 0.211 2479 L C 2.538 179.443 176.870 0.059 0.000 1.089 2479 L CA 1.173 55.960 54.840 -0.088 0.000 0.757 2479 L CB -0.902 41.073 42.059 -0.140 0.000 0.899 2479 L HN 0.353 nan 8.230 nan 0.000 0.434 2480 A N -1.307 121.560 122.820 0.079 0.000 2.209 2480 A HA -0.142 4.182 4.320 0.008 0.000 0.212 2480 A C 1.389 178.696 177.584 -0.460 0.000 1.158 2480 A CA 1.183 53.195 52.037 -0.041 0.000 0.742 2480 A CB -0.620 18.335 19.000 -0.075 0.000 0.790 2480 A HN 0.555 nan 8.150 nan 0.000 0.472 2481 H N -1.609 117.422 119.070 -0.065 0.000 3.622 2481 H HA 0.157 4.718 4.556 0.008 0.000 0.259 2481 H C 1.237 176.454 175.328 -0.184 0.000 1.145 2481 H CA 0.379 56.359 56.048 -0.113 0.000 1.178 2481 H CB 0.399 30.106 29.762 -0.091 0.000 1.542 2481 H HN 0.477 nan 8.280 nan 0.000 0.586 2482 S N 0.964 116.505 115.700 -0.265 0.000 2.652 2482 S HA 0.126 4.601 4.470 0.008 0.000 0.267 2482 S C 0.471 175.018 174.600 -0.088 0.000 1.201 2482 S CA -0.993 57.011 58.200 -0.327 0.000 0.996 2482 S CB 1.121 63.864 63.200 -0.763 0.000 1.054 2482 S HN 0.435 nan 8.310 nan 0.000 0.561 2483 E N -0.095 120.092 120.200 -0.021 0.000 2.349 2483 E HA 0.273 4.627 4.350 0.008 0.000 0.262 2483 E C -0.705 175.904 176.600 0.014 0.000 1.088 2483 E CA -0.743 55.661 56.400 0.007 0.000 0.899 2483 E CB 0.274 29.980 29.700 0.010 0.000 1.044 2483 E HN 0.620 nan 8.360 nan 0.000 0.420 2484 D N 0.077 120.468 120.400 -0.014 0.000 2.419 2484 D HA 0.332 4.977 4.640 0.008 0.000 0.236 2484 D C -0.974 175.239 176.300 -0.143 0.000 1.165 2484 D CA 0.774 54.750 54.000 -0.040 0.000 0.882 2484 D CB 0.746 41.521 40.800 -0.042 0.000 1.201 2484 D HN 0.685 nan 8.370 nan 0.000 0.443 2485 A N 1.137 123.816 122.820 -0.235 0.000 2.490 2485 A HA 0.591 4.916 4.320 0.008 0.000 0.292 2485 A C 0.483 177.812 177.584 -0.425 0.000 1.047 2485 A CA -0.054 51.676 52.037 -0.511 0.000 0.632 2485 A CB 0.043 18.361 19.000 -1.138 0.000 1.323 2485 A HN 0.586 nan 8.150 nan 0.000 0.448 2486 A N -0.630 121.928 122.820 -0.436 0.000 1.940 2486 A HA -0.032 4.292 4.320 0.008 0.000 0.219 2486 A C 1.585 179.199 177.584 0.051 0.000 1.176 2486 A CA 2.419 54.403 52.037 -0.088 0.000 0.631 2486 A CB -1.046 17.989 19.000 0.059 0.000 0.814 2486 A HN 1.937 nan 8.150 nan 0.000 0.446 2487 W N 0.340 121.590 121.300 -0.083 0.000 2.699 2487 W HA 0.183 4.847 4.660 0.007 0.000 0.249 2487 W C 0.377 176.959 176.519 0.106 0.000 1.280 2487 W CA -0.075 57.105 57.345 -0.275 0.000 1.345 2487 W CB -0.643 28.557 29.460 -0.434 0.000 1.128 2487 W HN 0.147 nan 8.180 nan 0.000 0.642 2488 Q N 1.373 121.424 119.800 0.419 0.000 2.340 2488 Q HA 0.202 4.546 4.340 0.008 0.000 0.249 2488 Q C 0.210 176.460 176.000 0.416 0.000 0.957 2488 Q CA -0.360 55.721 55.803 0.463 0.000 0.882 2488 Q CB 2.131 31.032 28.738 0.272 0.000 1.235 2488 Q HN -0.067 nan 8.270 nan 0.000 0.439 2489 V N 2.812 122.978 119.914 0.421 0.000 2.811 2489 V HA 0.011 4.136 4.120 0.008 0.000 0.302 2489 V C 0.501 176.696 176.094 0.167 0.000 1.063 2489 V CA 0.090 62.583 62.300 0.321 0.000 1.088 2489 V CB 0.882 32.821 31.823 0.192 0.000 0.982 2489 V HN 0.658 nan 8.190 nan 0.000 0.485 2490 Q N 2.436 122.333 119.800 0.163 0.000 2.633 2490 Q HA 0.561 4.906 4.340 0.008 0.000 0.292 2490 Q C -0.953 175.090 176.000 0.070 0.000 1.089 2490 Q CA -1.020 54.835 55.803 0.086 0.000 0.811 2490 Q CB 2.212 31.000 28.738 0.083 0.000 1.472 2490 Q HN 0.595 nan 8.270 nan 0.000 0.464 2491 K N -0.162 120.259 120.400 0.035 0.000 2.087 2491 K HA 0.524 4.849 4.320 0.008 0.000 0.255 2491 K C 0.700 177.323 176.600 0.038 0.000 0.988 2491 K CA 0.270 56.575 56.287 0.031 0.000 0.915 2491 K CB 0.697 33.200 32.500 0.006 0.000 1.043 2491 K HN 0.800 nan 8.250 nan 0.000 0.457 2492 G N 1.148 109.975 108.800 0.044 0.000 2.660 2492 G HA2 -0.370 3.594 3.960 0.008 0.000 0.321 2492 G HA3 -0.370 3.594 3.960 0.008 0.000 0.321 2492 G C 0.665 175.591 174.900 0.043 0.000 1.246 2492 G CA 0.312 45.439 45.100 0.046 0.000 1.000 2492 G HN 0.778 nan 8.290 nan 0.000 0.550 2493 G N -0.323 108.493 108.800 0.027 0.000 3.605 2493 G HA2 0.483 4.447 3.960 0.008 0.000 0.277 2493 G HA3 0.483 4.447 3.960 0.008 0.000 0.277 2493 G C 1.135 176.035 174.900 0.001 0.000 1.093 2493 G CA 1.006 46.110 45.100 0.008 0.000 0.821 2493 G HN 0.648 nan 8.290 nan 0.000 0.532 2494 K N 0.198 120.608 120.400 0.017 0.000 2.296 2494 K HA 0.005 4.330 4.320 0.008 0.000 0.200 2494 K C 0.245 176.866 176.600 0.035 0.000 1.048 2494 K CA -0.055 56.244 56.287 0.019 0.000 0.966 2494 K CB 0.059 32.572 32.500 0.023 0.000 0.754 2494 K HN 0.249 nan 8.250 nan 0.000 0.466 2495 N N 1.174 119.906 118.700 0.054 0.000 2.411 2495 N HA -0.065 4.680 4.740 0.008 0.000 0.265 2495 N C 0.672 176.207 175.510 0.041 0.000 1.266 2495 N CA 0.360 53.464 53.050 0.089 0.000 0.889 2495 N CB 0.865 39.423 38.487 0.119 0.000 1.069 2495 N HN 0.143 nan 8.380 nan 0.000 0.476 2496 T N -1.299 113.298 114.554 0.071 0.000 3.001 2496 T HA 0.244 4.599 4.350 0.008 0.000 0.251 2496 T C -0.012 174.561 174.700 -0.211 0.000 1.040 2496 T CA 0.092 62.154 62.100 -0.062 0.000 0.985 2496 T CB 0.009 68.850 68.868 -0.045 0.000 1.011 2496 T HN 0.197 nan 8.240 nan 0.000 0.509 2497 F N 0.754 120.748 119.950 0.074 0.000 2.563 2497 F HA 0.701 5.233 4.527 0.008 0.000 0.316 2497 F C -0.765 175.103 175.800 0.113 0.000 1.076 2497 F CA -1.306 56.736 58.000 0.070 0.000 0.921 2497 F CB 2.475 41.507 39.000 0.054 0.000 1.209 2497 F HN -0.121 nan 8.300 nan 0.000 0.462 2498 V N 4.213 124.286 119.914 0.265 0.000 2.525 2498 V HA 0.467 4.592 4.120 0.008 0.000 0.299 2498 V C -1.488 174.731 176.094 0.208 0.000 1.034 2498 V CA -0.651 61.805 62.300 0.261 0.000 0.863 2498 V CB 1.120 33.046 31.823 0.172 0.000 0.999 2498 V HN 0.580 nan 8.190 nan 0.000 0.423 2499 Y N 6.799 127.266 120.300 0.278 0.000 2.377 2499 Y HA 0.289 4.843 4.550 0.008 0.000 0.330 2499 Y C 1.161 177.190 175.900 0.215 0.000 1.108 2499 Y CA 0.212 58.471 58.100 0.265 0.000 1.308 2499 Y CB 0.612 39.279 38.460 0.345 0.000 1.216 2499 Y HN 0.845 nan 8.280 nan 0.000 0.518 2500 N N 0.438 119.316 118.700 0.297 0.000 2.322 2500 N HA -0.033 4.711 4.740 0.008 0.000 0.270 2500 N C 0.864 176.624 175.510 0.417 0.000 1.286 2500 N CA 0.179 53.403 53.050 0.290 0.000 0.948 2500 N CB 0.688 39.329 38.487 0.256 0.000 1.164 2500 N HN 0.625 nan 8.380 nan 0.000 0.551 2501 T N -1.196 113.645 114.554 0.478 0.000 3.160 2501 T HA -0.052 4.303 4.350 0.008 0.000 0.257 2501 T C 0.670 175.477 174.700 0.178 0.000 1.147 2501 T CA 0.763 63.054 62.100 0.318 0.000 1.064 2501 T CB -0.245 68.732 68.868 0.182 0.000 0.949 2501 T HN 0.615 nan 8.240 nan 0.000 0.526 2502 E N 0.134 120.407 120.200 0.121 0.000 2.569 2502 E HA 0.565 4.920 4.350 0.008 0.000 0.205 2502 E C 0.741 177.209 176.600 -0.220 0.000 1.006 2502 E CA 0.434 56.806 56.400 -0.047 0.000 0.985 2502 E CB -0.237 29.422 29.700 -0.070 0.000 1.060 2502 E HN 0.283 nan 8.360 nan 0.000 0.460 2503 A N 0.897 123.730 122.820 0.022 0.000 2.872 2503 A HA -0.207 4.118 4.320 0.008 0.000 0.273 2503 A C -0.576 177.037 177.584 0.049 0.000 1.442 2503 A CA 1.002 53.067 52.037 0.047 0.000 0.801 2503 A CB -2.373 16.365 19.000 -0.436 0.000 1.031 2503 A HN 0.447 nan 8.150 nan 0.000 0.582 2504 H N 0.129 119.288 119.070 0.149 0.000 2.685 2504 H HA 0.372 4.932 4.556 0.008 0.000 0.286 2504 H C -2.550 172.721 175.328 -0.095 0.000 1.102 2504 H CA -1.674 54.382 56.048 0.013 0.000 1.254 2504 H CB 0.786 30.562 29.762 0.023 0.000 1.397 2504 H HN 0.416 nan 8.280 nan 0.000 0.473 2505 P HA 0.045 nan 4.420 nan 0.000 0.271 2505 P C -0.092 177.245 177.300 0.062 0.000 1.233 2505 P CA -0.038 62.775 63.100 -0.479 0.000 0.764 2505 P CB 1.020 32.125 31.700 -0.992 0.000 0.825 2506 I N 2.116 122.789 120.570 0.172 0.000 2.460 2506 I HA 0.183 4.357 4.170 0.008 0.000 0.298 2506 I C 0.943 177.154 176.117 0.157 0.000 0.989 2506 I CA -0.643 60.770 61.300 0.189 0.000 1.173 2506 I CB 1.446 39.475 38.000 0.048 0.000 1.338 2506 I HN 0.254 nan 8.210 nan 0.000 0.456 2507 S N 4.355 120.032 115.700 -0.038 0.000 2.549 2507 S HA 0.246 4.721 4.470 0.008 0.000 0.279 2507 S C 0.322 174.824 174.600 -0.164 0.000 1.321 2507 S CA -0.682 57.236 58.200 -0.470 0.000 1.054 2507 S CB 0.944 63.935 63.200 -0.348 0.000 0.899 2507 S HN 0.429 nan 8.310 nan 0.000 0.497 2508 V N 1.654 121.397 119.914 -0.286 0.000 3.096 2508 V HA 0.601 4.726 4.120 0.008 0.000 0.306 2508 V C 0.799 176.624 176.094 -0.447 0.000 1.088 2508 V CA -1.000 61.128 62.300 -0.287 0.000 1.129 2508 V CB -0.470 31.195 31.823 -0.264 0.000 1.014 2508 V HN 0.931 nan 8.190 nan 0.000 0.486 2509 A N 3.573 125.877 122.820 -0.860 0.000 2.429 2509 A HA 0.586 4.911 4.320 0.008 0.000 0.242 2509 A C 0.813 178.200 177.584 -0.329 0.000 1.088 2509 A CA 0.008 51.663 52.037 -0.637 0.000 0.784 2509 A CB -0.188 18.339 19.000 -0.788 0.000 1.038 2509 A HN 1.204 nan 8.150 nan 0.000 0.501 2510 R N 0.000 120.370 120.500 -0.216 0.000 2.786 2510 R HA 0.000 4.345 4.340 0.008 0.000 0.208 2510 R CA 0.000 56.012 56.100 -0.146 0.000 0.921 2510 R CB 0.000 30.212 30.300 -0.146 0.000 0.687 2510 R HN 0.000 nan 8.270 nan 0.000 0.535