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 2ri8_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 0.000 174.518 174.600 -0.137 0.000 1.055 2036 S CA 0.000 58.137 58.200 -0.105 0.000 1.107 2036 S CB 0.000 63.130 63.200 -0.117 0.000 0.593 2037 N N 1.008 119.644 118.700 -0.106 0.000 2.182 2037 N HA -0.197 4.547 4.740 0.008 0.000 0.192 2037 N C 1.665 177.154 175.510 -0.035 0.000 1.007 2037 N CA 1.459 54.478 53.050 -0.052 0.000 0.873 2037 N CB -0.152 38.329 38.487 -0.010 0.000 0.998 2037 N HN 0.329 nan 8.380 nan 0.000 0.436 2038 Q N 0.756 120.539 119.800 -0.028 0.000 2.167 2038 Q HA -0.017 4.327 4.340 0.008 0.000 0.202 2038 Q C 1.975 177.981 176.000 0.009 0.000 0.970 2038 Q CA 1.153 56.959 55.803 0.005 0.000 0.855 2038 Q CB -0.087 28.656 28.738 0.009 0.000 0.911 2038 Q HN 0.413 nan 8.270 nan 0.000 0.438 2039 A N 0.877 123.678 122.820 -0.032 0.000 1.854 2039 A HA -0.139 4.185 4.320 0.008 0.000 0.214 2039 A C 2.087 179.651 177.584 -0.033 0.000 1.192 2039 A CA 1.339 53.365 52.037 -0.018 0.000 0.611 2039 A CB -0.323 18.655 19.000 -0.037 0.000 0.832 2039 A HN 0.293 nan 8.150 nan 0.000 0.442 2040 K N -0.060 120.207 120.400 -0.221 0.000 2.074 2040 K HA -0.171 4.153 4.320 0.008 0.000 0.209 2040 K C 2.269 178.834 176.600 -0.058 0.000 1.048 2040 K CA 1.316 57.344 56.287 -0.431 0.000 0.926 2040 K CB -0.398 31.380 32.500 -1.202 0.000 0.713 2040 K HN 0.445 nan 8.250 nan 0.000 0.444 2041 A N 1.982 124.800 122.820 -0.003 0.000 1.908 2041 A HA -0.229 4.096 4.320 0.008 0.000 0.218 2041 A C 1.676 179.414 177.584 0.257 0.000 1.181 2041 A CA 2.019 54.169 52.037 0.189 0.000 0.627 2041 A CB -0.418 18.684 19.000 0.170 0.000 0.818 2041 A HN 0.218 nan 8.150 nan 0.000 0.445 2042 D N -0.041 120.463 120.400 0.173 0.000 2.144 2042 D HA -0.008 4.637 4.640 0.008 0.000 0.200 2042 D C 2.215 178.622 176.300 0.179 0.000 0.978 2042 D CA 1.336 55.428 54.000 0.154 0.000 0.833 2042 D CB -0.448 40.423 40.800 0.118 0.000 0.961 2042 D HN 0.429 nan 8.370 nan 0.000 0.470 2043 A N 0.732 123.689 122.820 0.229 0.000 1.978 2043 A HA -0.147 4.177 4.320 0.008 0.000 0.220 2043 A C 2.478 180.270 177.584 0.347 0.000 1.170 2043 A CA 1.140 53.380 52.037 0.337 0.000 0.636 2043 A CB -0.559 18.777 19.000 0.561 0.000 0.810 2043 A HN 0.161 nan 8.150 nan 0.000 0.448 2044 V N -0.280 119.752 119.914 0.197 0.000 2.488 2044 V HA -0.195 3.929 4.120 0.008 0.000 0.246 2044 V C 2.320 178.489 176.094 0.126 0.000 1.046 2044 V CA 2.112 64.425 62.300 0.021 0.000 1.053 2044 V CB -0.563 31.157 31.823 -0.171 0.000 0.679 2044 V HN 0.539 nan 8.190 nan 0.000 0.458 2045 K N -0.031 120.409 120.400 0.068 0.000 2.147 2045 K HA -0.183 4.142 4.320 0.008 0.000 0.205 2045 K C 2.238 178.954 176.600 0.193 0.000 1.049 2045 K CA 1.209 57.498 56.287 0.004 0.000 0.936 2045 K CB -0.140 32.295 32.500 -0.108 0.000 0.722 2045 K HN 0.369 nan 8.250 nan 0.000 0.446 2046 E N 1.244 121.580 120.200 0.226 0.000 2.106 2046 E HA -0.149 4.205 4.350 0.008 0.000 0.192 2046 E C 1.869 178.691 176.600 0.371 0.000 0.984 2046 E CA 1.139 57.700 56.400 0.268 0.000 0.806 2046 E CB 0.040 29.877 29.700 0.228 0.000 0.750 2046 E HN 0.263 nan 8.360 nan 0.000 0.458 2047 A N 0.602 123.680 122.820 0.430 0.000 1.902 2047 A HA -0.166 4.159 4.320 0.008 0.000 0.217 2047 A C 2.112 180.059 177.584 0.605 0.000 1.181 2047 A CA 1.293 53.669 52.037 0.564 0.000 0.623 2047 A CB -0.975 18.374 19.000 0.581 0.000 0.818 2047 A HN 0.442 nan 8.150 nan 0.000 0.443 2048 F N 0.243 120.385 119.950 0.320 0.000 2.146 2048 F HA -0.179 4.352 4.527 0.007 0.000 0.298 2048 F C 2.425 178.464 175.800 0.399 0.000 1.096 2048 F CA 2.147 60.332 58.000 0.308 0.000 1.275 2048 F CB -0.121 38.967 39.000 0.147 0.000 1.008 2048 F HN 0.284 nan 8.300 nan 0.000 0.480 2049 Q N -0.015 120.136 119.800 0.585 0.000 2.050 2049 Q HA -0.250 4.094 4.340 0.008 0.000 0.202 2049 Q C 2.136 178.367 176.000 0.385 0.000 0.980 2049 Q CA 2.254 58.337 55.803 0.468 0.000 0.840 2049 Q CB -0.720 28.229 28.738 0.351 0.000 0.898 2049 Q HN 0.657 nan 8.270 nan 0.000 0.424 2050 H N -0.476 118.761 119.070 0.278 0.000 2.289 2050 H HA -0.157 4.403 4.556 0.008 0.000 0.294 2050 H C 1.593 177.021 175.328 0.167 0.000 1.095 2050 H CA 2.684 58.842 56.048 0.183 0.000 1.256 2050 H CB -0.469 29.379 29.762 0.143 0.000 1.359 2050 H HN 0.307 nan 8.280 nan 0.000 0.487 2051 A N 0.787 123.677 122.820 0.117 0.000 1.898 2051 A HA -0.169 4.155 4.320 0.008 0.000 0.216 2051 A C 2.528 180.299 177.584 0.312 0.000 1.181 2051 A CA 1.235 53.317 52.037 0.075 0.000 0.620 2051 A CB -1.498 17.560 19.000 0.097 0.000 0.819 2051 A HN 0.818 nan 8.150 nan 0.000 0.442 2052 W N 1.230 122.644 121.300 0.190 0.000 2.363 2052 W HA -0.194 4.471 4.660 0.007 0.000 0.296 2052 W C 1.541 178.099 176.519 0.064 0.000 1.212 2052 W CA 1.795 59.183 57.345 0.071 0.000 1.260 2052 W CB -0.261 29.140 29.460 -0.097 0.000 1.131 2052 W HN 0.388 nan 8.180 nan 0.000 0.530 2053 N N 0.390 119.141 118.700 0.086 0.000 2.084 2053 N HA -0.139 4.605 4.740 0.008 0.000 0.190 2053 N C 1.983 177.410 175.510 -0.138 0.000 1.030 2053 N CA 2.179 55.201 53.050 -0.048 0.000 0.849 2053 N CB -1.348 37.153 38.487 0.023 0.000 1.012 2053 N HN 0.240 nan 8.380 nan 0.000 0.423 2054 G N -0.186 108.563 108.800 -0.085 0.000 2.418 2054 G HA2 -0.293 3.672 3.960 0.008 0.000 0.217 2054 G HA3 -0.293 3.672 3.960 0.008 0.000 0.217 2054 G C 1.538 176.475 174.900 0.062 0.000 1.158 2054 G CA 0.764 45.876 45.100 0.020 0.000 0.771 2054 G HN 0.385 nan 8.290 nan 0.000 0.545 2055 Y N 0.636 120.864 120.300 -0.121 0.000 2.145 2055 Y HA -0.072 4.483 4.550 0.007 0.000 0.286 2055 Y C 2.688 178.408 175.900 -0.301 0.000 1.145 2055 Y CA 2.091 60.090 58.100 -0.168 0.000 1.148 2055 Y CB -0.290 38.019 38.460 -0.252 0.000 0.981 2055 Y HN 0.206 nan 8.280 nan 0.000 0.507 2056 M N 0.880 120.062 119.600 -0.697 0.000 2.117 2056 M HA -0.157 4.327 4.480 0.008 0.000 0.262 2056 M C 2.300 178.343 176.300 -0.429 0.000 1.065 2056 M CA 1.974 56.833 55.300 -0.736 0.000 1.114 2056 M CB -0.511 31.657 32.600 -0.719 0.000 1.361 2056 M HN 0.251 nan 8.290 nan 0.000 0.408 2057 K N -1.429 118.738 120.400 -0.389 0.000 2.057 2057 K HA -0.166 4.159 4.320 0.008 0.000 0.206 2057 K C 1.404 177.703 176.600 -0.502 0.000 1.050 2057 K CA 1.654 57.661 56.287 -0.466 0.000 0.935 2057 K CB -0.122 31.991 32.500 -0.646 0.000 0.715 2057 K HN 0.475 nan 8.250 nan 0.000 0.439 2058 Y N -1.516 118.709 120.300 -0.125 0.000 2.524 2058 Y HA 0.262 4.816 4.550 0.007 0.000 0.270 2058 Y C 1.821 177.698 175.900 -0.039 0.000 1.094 2058 Y CA 0.290 58.347 58.100 -0.071 0.000 1.276 2058 Y CB 0.733 39.159 38.460 -0.056 0.000 1.130 2058 Y HN 0.144 nan 8.280 nan 0.000 0.536 2059 A N -1.036 121.792 122.820 0.013 0.000 2.312 2059 A HA 0.156 4.481 4.320 0.008 0.000 0.215 2059 A C 0.033 177.530 177.584 -0.145 0.000 1.256 2059 A CA -0.368 51.686 52.037 0.028 0.000 0.966 2059 A CB -0.426 18.672 19.000 0.164 0.000 1.053 2059 A HN 0.211 nan 8.150 nan 0.000 0.510 2060 F N 3.026 122.552 119.950 -0.706 0.000 2.608 2060 F HA 0.303 4.834 4.527 0.008 0.000 0.380 2060 F C -1.308 174.311 175.800 -0.301 0.000 1.083 2060 F CA -1.407 56.181 58.000 -0.686 0.000 1.266 2060 F CB 0.931 39.462 39.000 -0.783 0.000 1.076 2060 F HN 0.057 nan 8.300 nan 0.000 0.574 2061 P HA 0.055 nan 4.420 nan 0.000 0.254 2061 P C -0.350 176.730 177.300 -0.367 0.000 1.620 2061 P CA 0.037 62.532 63.100 -1.009 0.000 1.050 2061 P CB -0.165 30.855 31.700 -1.132 0.000 1.539 2062 H N 0.848 119.797 119.070 -0.202 0.000 2.745 2062 H HA 0.009 4.569 4.556 0.007 0.000 0.373 2062 H C 1.042 176.450 175.328 0.134 0.000 1.226 2062 H CA 0.271 56.276 56.048 -0.071 0.000 1.435 2062 H CB 0.887 30.572 29.762 -0.129 0.000 1.461 2062 H HN -0.001 nan 8.280 nan 0.000 0.616 2063 D N 0.347 120.892 120.400 0.241 0.000 2.133 2063 D HA -0.132 4.513 4.640 0.008 0.000 0.195 2063 D C 0.862 177.302 176.300 0.232 0.000 0.997 2063 D CA 1.630 55.762 54.000 0.219 0.000 0.840 2063 D CB 0.397 41.289 40.800 0.153 0.000 0.947 2063 D HN 0.640 nan 8.370 nan 0.000 0.452 2064 E N -0.770 119.597 120.200 0.279 0.000 2.423 2064 E HA 0.263 4.618 4.350 0.008 0.000 0.280 2064 E C -1.070 175.716 176.600 0.310 0.000 1.030 2064 E CA -0.892 55.665 56.400 0.262 0.000 0.812 2064 E CB 1.358 31.113 29.700 0.091 0.000 1.313 2064 E HN 0.010 nan 8.360 nan 0.000 0.456 2065 L N 1.050 122.469 121.223 0.327 0.000 2.395 2065 L HA 0.459 4.804 4.340 0.008 0.000 0.269 2065 L C -0.086 176.841 176.870 0.096 0.000 1.133 2065 L CA 0.242 55.228 54.840 0.243 0.000 0.812 2065 L CB 1.224 43.452 42.059 0.282 0.000 1.125 2065 L HN 0.682 nan 8.230 nan 0.000 0.452 2066 T N 2.260 116.830 114.554 0.026 0.000 2.929 2066 T HA 0.400 4.755 4.350 0.008 0.000 0.331 2066 T C -1.704 172.957 174.700 -0.065 0.000 1.120 2066 T CA -1.579 60.505 62.100 -0.028 0.000 0.973 2066 T CB 0.805 69.631 68.868 -0.069 0.000 1.036 2066 T HN 0.629 nan 8.240 nan 0.000 0.502 2067 P HA -0.098 nan 4.420 nan 0.000 0.221 2067 P C 1.222 178.466 177.300 -0.094 0.000 1.145 2067 P CA 0.522 63.581 63.100 -0.070 0.000 0.795 2067 P CB 0.216 31.895 31.700 -0.036 0.000 0.775 2068 V N 0.563 120.430 119.914 -0.079 0.000 2.672 2068 V HA -0.053 4.072 4.120 0.008 0.000 0.242 2068 V C 2.690 178.712 176.094 -0.121 0.000 1.059 2068 V CA 1.945 64.197 62.300 -0.079 0.000 1.081 2068 V CB -0.982 30.816 31.823 -0.040 0.000 0.752 2068 V HN 0.262 nan 8.190 nan 0.000 0.472 2069 S N -0.908 114.711 115.700 -0.135 0.000 2.558 2069 S HA 0.027 4.502 4.470 0.008 0.000 0.217 2069 S C 0.677 175.121 174.600 -0.260 0.000 0.975 2069 S CA 0.102 58.203 58.200 -0.165 0.000 0.912 2069 S CB -0.334 62.783 63.200 -0.139 0.000 0.776 2069 S HN 0.560 nan 8.310 nan 0.000 0.526 2070 N N 1.665 120.164 118.700 -0.336 0.000 2.681 2070 N HA -0.087 4.657 4.740 0.008 0.000 0.259 2070 N C -0.007 175.244 175.510 -0.431 0.000 1.066 2070 N CA 0.995 53.666 53.050 -0.631 0.000 0.717 2070 N CB -1.467 36.321 38.487 -1.165 0.000 0.885 2070 N HN 0.750 nan 8.380 nan 0.000 0.547 2071 G N -0.808 107.858 108.800 -0.223 0.000 3.107 2071 G HA2 0.701 4.665 3.960 0.008 0.000 0.233 2071 G HA3 0.701 4.665 3.960 0.008 0.000 0.233 2071 G C -0.819 174.014 174.900 -0.111 0.000 1.168 2071 G CA -0.207 44.778 45.100 -0.192 0.000 0.801 2071 G HN 0.567 nan 8.290 nan 0.000 0.605 2072 H N -1.902 117.091 119.070 -0.129 0.000 2.946 2072 H HA 0.887 5.447 4.556 0.007 0.000 0.365 2072 H C -0.469 174.769 175.328 -0.151 0.000 1.197 2072 H CA -0.688 55.270 56.048 -0.150 0.000 1.131 2072 H CB 1.578 31.125 29.762 -0.359 0.000 1.849 2072 H HN 0.923 nan 8.280 nan 0.000 0.555 2073 A N 0.500 123.408 122.820 0.147 0.000 2.569 2073 A HA 0.588 4.912 4.320 0.008 0.000 0.290 2073 A C -1.547 176.130 177.584 0.154 0.000 1.136 2073 A CA -0.784 51.320 52.037 0.111 0.000 0.710 2073 A CB 1.486 20.519 19.000 0.054 0.000 1.303 2073 A HN 0.805 nan 8.150 nan 0.000 0.413 2074 D N 1.456 121.923 120.400 0.112 0.000 2.429 2074 D HA 0.233 4.878 4.640 0.008 0.000 0.255 2074 D C 0.440 176.762 176.300 0.037 0.000 1.257 2074 D CA 0.400 54.454 54.000 0.091 0.000 0.890 2074 D CB 1.218 42.069 40.800 0.086 0.000 1.267 2074 D HN 0.525 nan 8.370 nan 0.000 0.521 2075 S N 0.509 116.234 115.700 0.042 0.000 2.556 2075 S HA 0.087 4.562 4.470 0.008 0.000 0.216 2075 S C 0.944 175.565 174.600 0.034 0.000 0.970 2075 S CA -0.197 58.020 58.200 0.028 0.000 0.912 2075 S CB 0.490 63.707 63.200 0.028 0.000 0.790 2075 S HN 0.147 nan 8.310 nan 0.000 0.504 2076 R N 1.511 122.039 120.500 0.047 0.000 2.989 2076 R HA 0.335 4.679 4.340 0.008 0.000 0.340 2076 R C -0.612 175.656 176.300 -0.052 0.000 1.205 2076 R CA -0.059 56.105 56.100 0.107 0.000 1.235 2076 R CB -0.730 29.710 30.300 0.233 0.000 1.394 2076 R HN 0.431 nan 8.270 nan 0.000 0.598 2077 N N 0.195 118.730 118.700 -0.276 0.000 2.815 2077 N HA -0.262 4.482 4.740 0.008 0.000 0.247 2077 N C 0.855 175.862 175.510 -0.838 0.000 1.030 2077 N CA 1.313 53.943 53.050 -0.700 0.000 0.881 2077 N CB -0.746 36.901 38.487 -1.400 0.000 1.134 2077 N HN 0.709 nan 8.380 nan 0.000 0.582 2078 G N -2.097 106.457 108.800 -0.410 0.000 2.179 2078 G HA2 -0.317 3.648 3.960 0.008 0.000 0.260 2078 G HA3 -0.317 3.648 3.960 0.008 0.000 0.260 2078 G C 0.514 175.303 174.900 -0.184 0.000 0.977 2078 G CA 0.410 45.340 45.100 -0.283 0.000 0.641 2078 G HN 0.377 nan 8.290 nan 0.000 0.533 2079 W N 0.797 122.099 121.300 0.003 0.000 3.077 2079 W HA 0.435 5.099 4.660 0.007 0.000 0.245 2079 W C 1.547 178.225 176.519 0.265 0.000 1.316 2079 W CA 0.538 57.843 57.345 -0.067 0.000 1.537 2079 W CB -0.829 28.339 29.460 -0.486 0.000 1.131 2079 W HN 1.447 nan 8.180 nan 0.000 0.695 2080 G N 0.385 109.442 108.800 0.428 0.000 2.520 2080 G HA2 -0.079 3.885 3.960 0.008 0.000 0.264 2080 G HA3 -0.079 3.885 3.960 0.008 0.000 0.264 2080 G C 1.103 176.219 174.900 0.360 0.000 1.140 2080 G CA 0.094 45.402 45.100 0.347 0.000 1.012 2080 G HN 0.315 nan 8.290 nan 0.000 0.511 2081 A N 0.181 123.180 122.820 0.298 0.000 1.908 2081 A HA 0.094 4.418 4.320 0.008 0.000 0.218 2081 A C 2.704 180.269 177.584 -0.031 0.000 1.181 2081 A CA 2.755 54.812 52.037 0.032 0.000 0.627 2081 A CB -0.511 18.488 19.000 -0.002 0.000 0.818 2081 A HN 1.234 nan 8.150 nan 0.000 0.445 2082 S N -0.429 115.231 115.700 -0.068 0.000 2.402 2082 S HA 0.042 4.516 4.470 0.008 0.000 0.229 2082 S C 2.225 176.650 174.600 -0.292 0.000 1.021 2082 S CA 1.020 59.062 58.200 -0.263 0.000 0.974 2082 S CB -0.350 62.435 63.200 -0.692 0.000 0.800 2082 S HN 0.790 nan 8.310 nan 0.000 0.484 2083 A N 1.022 123.796 122.820 -0.076 0.000 1.897 2083 A HA 0.012 4.337 4.320 0.008 0.000 0.215 2083 A C 2.280 179.933 177.584 0.114 0.000 1.181 2083 A CA 1.265 53.397 52.037 0.158 0.000 0.620 2083 A CB -0.695 18.447 19.000 0.238 0.000 0.821 2083 A HN 0.349 nan 8.150 nan 0.000 0.443 2084 V N 0.245 120.236 119.914 0.127 0.000 2.453 2084 V HA -0.172 3.953 4.120 0.008 0.000 0.247 2084 V C 2.102 178.216 176.094 0.033 0.000 1.048 2084 V CA 2.149 64.519 62.300 0.116 0.000 1.049 2084 V CB -0.765 31.177 31.823 0.199 0.000 0.672 2084 V HN 0.454 nan 8.190 nan 0.000 0.457 2085 D N 0.302 120.727 120.400 0.042 0.000 2.264 2085 D HA -0.042 4.602 4.640 0.008 0.000 0.208 2085 D C 2.026 178.466 176.300 0.234 0.000 0.966 2085 D CA 1.235 55.343 54.000 0.181 0.000 0.864 2085 D CB -0.016 40.876 40.800 0.152 0.000 0.933 2085 D HN 0.421 nan 8.370 nan 0.000 0.499 2086 A N -0.056 122.822 122.820 0.096 0.000 2.123 2086 A HA 0.047 4.372 4.320 0.008 0.000 0.214 2086 A C 2.099 179.695 177.584 0.020 0.000 1.152 2086 A CA 0.050 52.137 52.037 0.083 0.000 0.728 2086 A CB -0.387 18.479 19.000 -0.223 0.000 0.814 2086 A HN 0.261 nan 8.150 nan 0.000 0.464 2087 L N 0.597 121.808 121.223 -0.019 0.000 1.956 2087 L HA -0.248 4.097 4.340 0.008 0.000 0.216 2087 L C 2.964 179.782 176.870 -0.087 0.000 1.073 2087 L CA 2.488 57.284 54.840 -0.072 0.000 0.762 2087 L CB -0.510 41.519 42.059 -0.050 0.000 0.889 2087 L HN 0.612 nan 8.230 nan 0.000 0.433 2088 S N -2.311 113.369 115.700 -0.033 0.000 2.440 2088 S HA -0.168 4.307 4.470 0.008 0.000 0.238 2088 S C 1.624 176.132 174.600 -0.153 0.000 1.010 2088 S CA 1.648 59.811 58.200 -0.061 0.000 0.972 2088 S CB -0.597 62.652 63.200 0.081 0.000 0.774 2088 S HN 0.503 nan 8.310 nan 0.000 0.501 2089 T N 1.802 116.287 114.554 -0.114 0.000 2.976 2089 T HA 0.351 4.705 4.350 0.008 0.000 0.257 2089 T C 2.227 176.644 174.700 -0.472 0.000 1.051 2089 T CA 0.807 62.765 62.100 -0.237 0.000 1.141 2089 T CB -0.521 68.315 68.868 -0.053 0.000 0.881 2089 T HN 0.593 nan 8.240 nan 0.000 0.461 2090 A N 1.291 123.865 122.820 -0.411 0.000 1.877 2090 A HA -0.031 4.293 4.320 0.008 0.000 0.216 2090 A C 2.519 179.856 177.584 -0.412 0.000 1.186 2090 A CA 1.253 52.986 52.037 -0.506 0.000 0.620 2090 A CB -1.077 17.705 19.000 -0.364 0.000 0.822 2090 A HN 0.317 nan 8.150 nan 0.000 0.443 2091 V N 0.352 120.070 119.914 -0.327 0.000 2.287 2091 V HA -0.295 3.830 4.120 0.008 0.000 0.248 2091 V C 2.399 178.241 176.094 -0.419 0.000 1.053 2091 V CA 2.172 64.294 62.300 -0.297 0.000 1.027 2091 V CB -0.690 30.992 31.823 -0.234 0.000 0.646 2091 V HN 0.580 nan 8.190 nan 0.000 0.447 2092 I N -0.962 119.255 120.570 -0.588 0.000 2.493 2092 I HA -0.246 3.928 4.170 0.008 0.000 0.254 2092 I C 2.278 178.114 176.117 -0.467 0.000 1.160 2092 I CA 1.555 62.336 61.300 -0.866 0.000 1.445 2092 I CB -0.172 37.254 38.000 -0.955 0.000 1.086 2092 I HN 0.319 nan 8.210 nan 0.000 0.433 2093 M N -0.428 118.876 119.600 -0.493 0.000 2.514 2093 M HA 0.151 4.636 4.480 0.008 0.000 0.258 2093 M C 1.171 177.289 176.300 -0.302 0.000 1.119 2093 M CA 0.693 55.664 55.300 -0.549 0.000 1.111 2093 M CB 0.374 32.471 32.600 -0.839 0.000 1.390 2093 M HN 0.360 nan 8.290 nan 0.000 0.475 2094 G N 2.296 110.946 108.800 -0.251 0.000 2.248 2094 G HA2 -0.221 3.744 3.960 0.008 0.000 0.252 2094 G HA3 -0.221 3.744 3.960 0.008 0.000 0.252 2094 G C -0.429 174.383 174.900 -0.146 0.000 1.085 2094 G CA -0.268 44.747 45.100 -0.141 0.000 0.845 2094 G HN 0.438 nan 8.290 nan 0.000 0.494 2095 K N 0.272 120.550 120.400 -0.203 0.000 2.423 2095 K HA 0.633 4.958 4.320 0.008 0.000 0.234 2095 K C 1.562 178.073 176.600 -0.149 0.000 1.051 2095 K CA -0.033 56.150 56.287 -0.173 0.000 1.021 2095 K CB 1.165 33.526 32.500 -0.232 0.000 1.474 2095 K HN 0.351 nan 8.250 nan 0.000 0.474 2096 A N 3.305 126.068 122.820 -0.095 0.000 1.859 2096 A HA -0.271 4.054 4.320 0.008 0.000 0.217 2096 A C 1.732 179.275 177.584 -0.069 0.000 1.198 2096 A CA 2.149 54.142 52.037 -0.072 0.000 0.629 2096 A CB -0.316 18.659 19.000 -0.041 0.000 0.830 2096 A HN 0.820 nan 8.150 nan 0.000 0.446 2097 D N 0.181 120.550 120.400 -0.050 0.000 2.123 2097 D HA -0.147 4.497 4.640 0.008 0.000 0.196 2097 D C 1.958 178.226 176.300 -0.053 0.000 0.992 2097 D CA 1.815 55.798 54.000 -0.028 0.000 0.833 2097 D CB -1.019 39.783 40.800 0.004 0.000 0.954 2097 D HN 0.298 nan 8.370 nan 0.000 0.455 2098 V N 1.426 121.260 119.914 -0.134 0.000 2.287 2098 V HA -0.235 3.890 4.120 0.008 0.000 0.248 2098 V C 2.980 178.916 176.094 -0.263 0.000 1.053 2098 V CA 1.273 63.386 62.300 -0.311 0.000 1.027 2098 V CB -0.665 30.819 31.823 -0.566 0.000 0.646 2098 V HN 0.087 nan 8.190 nan 0.000 0.447 2099 V N 0.678 120.471 119.914 -0.202 0.000 2.287 2099 V HA -0.260 3.865 4.120 0.008 0.000 0.248 2099 V C 2.386 178.437 176.094 -0.071 0.000 1.053 2099 V CA 2.298 64.511 62.300 -0.145 0.000 1.027 2099 V CB -0.842 30.904 31.823 -0.127 0.000 0.646 2099 V HN 0.570 nan 8.190 nan 0.000 0.447 2100 N N 0.331 119.003 118.700 -0.046 0.000 2.142 2100 N HA -0.102 4.643 4.740 0.008 0.000 0.186 2100 N C 1.946 177.473 175.510 0.028 0.000 1.023 2100 N CA 1.596 54.642 53.050 -0.007 0.000 0.852 2100 N CB -0.435 38.050 38.487 -0.004 0.000 0.998 2100 N HN 0.480 nan 8.380 nan 0.000 0.424 2101 A N 1.371 124.209 122.820 0.029 0.000 1.948 2101 A HA -0.118 4.206 4.320 0.008 0.000 0.220 2101 A C 2.289 179.945 177.584 0.120 0.000 1.177 2101 A CA 1.071 53.148 52.037 0.066 0.000 0.636 2101 A CB -0.641 18.401 19.000 0.069 0.000 0.815 2101 A HN 0.238 nan 8.150 nan 0.000 0.449 2102 I N -0.660 119.965 120.570 0.093 0.000 2.353 2102 I HA -0.187 3.987 4.170 0.008 0.000 0.248 2102 I C 2.268 178.489 176.117 0.174 0.000 1.119 2102 I CA 0.731 62.123 61.300 0.154 0.000 1.417 2102 I CB -0.263 37.766 38.000 0.048 0.000 1.078 2102 I HN 0.283 nan 8.210 nan 0.000 0.421 2103 L N 0.334 121.613 121.223 0.093 0.000 2.046 2103 L HA -0.194 4.151 4.340 0.008 0.000 0.208 2103 L C 2.691 179.620 176.870 0.098 0.000 1.077 2103 L CA 1.190 56.075 54.840 0.075 0.000 0.747 2103 L CB -0.675 41.399 42.059 0.025 0.000 0.896 2103 L HN 0.256 nan 8.230 nan 0.000 0.432 2104 E N -0.571 119.698 120.200 0.115 0.000 2.038 2104 E HA -0.278 4.076 4.350 0.008 0.000 0.195 2104 E C 2.063 178.750 176.600 0.145 0.000 1.000 2104 E CA 1.398 57.866 56.400 0.114 0.000 0.803 2104 E CB -0.741 29.035 29.700 0.127 0.000 0.750 2104 E HN 0.562 nan 8.360 nan 0.000 0.448 2105 H N 1.163 120.333 119.070 0.165 0.000 2.353 2105 H HA -0.103 4.457 4.556 0.008 0.000 0.298 2105 H C 2.195 177.599 175.328 0.126 0.000 1.103 2105 H CA 1.837 58.004 56.048 0.198 0.000 1.293 2105 H CB -0.148 29.840 29.762 0.377 0.000 1.372 2105 H HN 0.078 nan 8.280 nan 0.000 0.501 2106 V N 1.253 121.242 119.914 0.124 0.000 2.490 2106 V HA -0.166 3.958 4.120 0.008 0.000 0.250 2106 V C 2.709 178.789 176.094 -0.024 0.000 1.061 2106 V CA 1.848 64.188 62.300 0.066 0.000 1.064 2106 V CB -1.153 30.773 31.823 0.170 0.000 0.670 2106 V HN 0.586 nan 8.190 nan 0.000 0.461 2107 A N -0.409 122.408 122.820 -0.004 0.000 1.908 2107 A HA -0.236 4.089 4.320 0.008 0.000 0.218 2107 A C 1.937 179.481 177.584 -0.066 0.000 1.181 2107 A CA 2.056 54.083 52.037 -0.017 0.000 0.627 2107 A CB -0.654 18.348 19.000 0.003 0.000 0.818 2107 A HN 0.646 nan 8.150 nan 0.000 0.445 2108 D N -0.488 119.840 120.400 -0.121 0.000 2.355 2108 D HA 0.144 4.789 4.640 0.008 0.000 0.218 2108 D C 0.827 176.989 176.300 -0.230 0.000 1.004 2108 D CA 0.048 53.956 54.000 -0.154 0.000 0.880 2108 D CB -0.055 40.661 40.800 -0.140 0.000 0.911 2108 D HN 0.459 nan 8.370 nan 0.000 0.528 2109 I N 0.604 120.983 120.570 -0.318 0.000 3.246 2109 I HA -0.062 4.112 4.170 0.008 0.000 0.280 2109 I C 0.380 176.296 176.117 -0.335 0.000 1.239 2109 I CA 0.524 61.581 61.300 -0.406 0.000 1.336 2109 I CB 0.361 38.016 38.000 -0.575 0.000 1.383 2109 I HN -0.201 nan 8.210 nan 0.000 0.617 2110 D N 1.362 121.499 120.400 -0.438 0.000 2.411 2110 D HA 0.227 4.872 4.640 0.008 0.000 0.239 2110 D C -0.054 176.010 176.300 -0.394 0.000 1.307 2110 D CA -0.374 53.457 54.000 -0.281 0.000 0.930 2110 D CB 0.148 40.877 40.800 -0.117 0.000 1.395 2110 D HN 0.240 nan 8.370 nan 0.000 0.536 2111 F N 1.186 120.836 119.950 -0.500 0.000 2.664 2111 F HA -0.038 4.493 4.527 0.007 0.000 0.297 2111 F C 2.488 178.119 175.800 -0.283 0.000 1.164 2111 F CA 0.780 58.264 58.000 -0.861 0.000 1.472 2111 F CB -0.182 38.227 39.000 -0.986 0.000 1.108 2111 F HN 0.346 nan 8.300 nan 0.000 0.596 2112 S N -0.725 114.999 115.700 0.040 0.000 2.377 2112 S HA -0.083 4.391 4.470 0.008 0.000 0.223 2112 S C 0.956 175.666 174.600 0.184 0.000 1.030 2112 S CA 0.170 58.439 58.200 0.116 0.000 0.970 2112 S CB -0.080 63.163 63.200 0.072 0.000 0.830 2112 S HN 0.325 nan 8.310 nan 0.000 0.473 2113 K N 0.646 121.164 120.400 0.196 0.000 2.182 2113 K HA 0.530 4.854 4.320 0.008 0.000 0.262 2113 K C -1.400 175.347 176.600 0.245 0.000 0.957 2113 K CA -0.290 56.107 56.287 0.183 0.000 0.842 2113 K CB 1.781 34.334 32.500 0.090 0.000 1.099 2113 K HN 0.206 nan 8.250 nan 0.000 0.438 2114 T N 0.886 115.518 114.554 0.129 0.000 2.957 2114 T HA 0.189 4.544 4.350 0.008 0.000 0.336 2114 T C -0.078 174.605 174.700 -0.029 0.000 1.462 2114 T CA -0.559 61.529 62.100 -0.021 0.000 1.073 2114 T CB 1.464 70.247 68.868 -0.142 0.000 1.319 2114 T HN 0.510 nan 8.240 nan 0.000 0.485 2115 S N 1.947 117.604 115.700 -0.072 0.000 2.528 2115 S HA 0.205 4.680 4.470 0.008 0.000 0.219 2115 S C 0.272 174.848 174.600 -0.040 0.000 0.985 2115 S CA 0.070 58.244 58.200 -0.044 0.000 0.914 2115 S CB 0.054 63.227 63.200 -0.044 0.000 0.776 2115 S HN 0.666 nan 8.310 nan 0.000 0.526 2116 D N 1.246 121.608 120.400 -0.063 0.000 2.392 2116 D HA 0.310 4.955 4.640 0.008 0.000 0.246 2116 D C -0.196 176.096 176.300 -0.013 0.000 1.013 2116 D CA -0.244 53.730 54.000 -0.042 0.000 0.993 2116 D CB 1.082 41.845 40.800 -0.063 0.000 1.219 2116 D HN -0.062 nan 8.370 nan 0.000 0.538 2117 T N 0.198 114.759 114.554 0.011 0.000 2.795 2117 T HA 0.309 4.664 4.350 0.008 0.000 0.314 2117 T C 0.275 175.009 174.700 0.057 0.000 1.069 2117 T CA -0.411 61.717 62.100 0.047 0.000 1.071 2117 T CB 0.719 69.613 68.868 0.044 0.000 0.988 2117 T HN 0.308 nan 8.240 nan 0.000 0.543 2118 V N -0.544 119.434 119.914 0.106 0.000 2.656 2118 V HA 0.777 4.901 4.120 0.008 0.000 0.307 2118 V C -0.167 176.013 176.094 0.143 0.000 1.051 2118 V CA -0.887 61.496 62.300 0.138 0.000 0.893 2118 V CB 2.052 34.014 31.823 0.233 0.000 0.999 2118 V HN 0.788 nan 8.190 nan 0.000 0.426 2119 S N 3.619 119.415 115.700 0.160 0.000 2.475 2119 S HA 0.403 4.878 4.470 0.008 0.000 0.281 2119 S C 0.622 175.334 174.600 0.187 0.000 1.198 2119 S CA -0.487 57.815 58.200 0.170 0.000 1.063 2119 S CB 1.031 64.350 63.200 0.198 0.000 0.972 2119 S HN 1.057 nan 8.310 nan 0.000 0.486 2120 L N 7.042 128.356 121.223 0.151 0.000 2.056 2120 L HA 0.108 4.453 4.340 0.008 0.000 0.207 2120 L C 1.656 178.667 176.870 0.234 0.000 1.078 2120 L CA 1.888 56.815 54.840 0.146 0.000 0.749 2120 L CB -1.146 40.914 42.059 0.003 0.000 0.901 2120 L HN 0.878 nan 8.230 nan 0.000 0.433 2121 F N 0.442 120.447 119.950 0.092 0.000 2.010 2121 F HA -0.249 4.282 4.527 0.008 0.000 0.296 2121 F C 2.408 178.297 175.800 0.149 0.000 1.146 2121 F CA 2.017 60.078 58.000 0.102 0.000 1.181 2121 F CB -0.271 38.757 39.000 0.046 0.000 0.965 2121 F HN 0.090 nan 8.300 nan 0.000 0.480 2122 E N 0.176 120.253 120.200 -0.205 0.000 2.097 2122 E HA -0.214 4.140 4.350 0.008 0.000 0.196 2122 E C 2.183 178.786 176.600 0.005 0.000 1.000 2122 E CA 2.158 58.410 56.400 -0.247 0.000 0.804 2122 E CB -1.010 28.705 29.700 0.025 0.000 0.740 2122 E HN 0.494 nan 8.360 nan 0.000 0.454 2123 T N 0.595 115.262 114.554 0.189 0.000 2.833 2123 T HA -0.084 4.270 4.350 0.008 0.000 0.269 2123 T C 1.944 176.796 174.700 0.253 0.000 1.054 2123 T CA 1.594 63.917 62.100 0.373 0.000 1.135 2123 T CB -0.235 68.863 68.868 0.383 0.000 0.869 2123 T HN 0.157 nan 8.240 nan 0.000 0.466 2124 T N 2.526 117.179 114.554 0.165 0.000 2.809 2124 T HA 0.089 4.443 4.350 0.008 0.000 0.260 2124 T C 2.062 176.818 174.700 0.094 0.000 1.039 2124 T CA 1.031 63.221 62.100 0.149 0.000 1.141 2124 T CB -0.300 68.769 68.868 0.334 0.000 0.869 2124 T HN 0.632 nan 8.240 nan 0.000 0.437 2125 I N -0.689 119.888 120.570 0.012 0.000 2.676 2125 I HA 0.042 4.216 4.170 0.008 0.000 0.259 2125 I C 2.265 178.441 176.117 0.098 0.000 1.194 2125 I CA 1.104 62.424 61.300 0.032 0.000 1.473 2125 I CB -0.205 37.721 38.000 -0.123 0.000 1.096 2125 I HN 0.054 nan 8.210 nan 0.000 0.443 2126 R N -0.006 120.523 120.500 0.049 0.000 2.072 2126 R HA 0.133 4.478 4.340 0.008 0.000 0.214 2126 R C 2.126 178.395 176.300 -0.051 0.000 1.168 2126 R CA 0.903 57.023 56.100 0.032 0.000 1.020 2126 R CB -0.660 29.574 30.300 -0.110 0.000 0.914 2126 R HN 0.297 nan 8.270 nan 0.000 0.449 2127 Y N 1.485 121.845 120.300 0.101 0.000 2.138 2127 Y HA -0.083 4.471 4.550 0.008 0.000 0.286 2127 Y C 2.491 178.326 175.900 -0.108 0.000 1.115 2127 Y CA 0.994 59.130 58.100 0.060 0.000 1.105 2127 Y CB -0.353 38.195 38.460 0.146 0.000 1.004 2127 Y HN -0.046 nan 8.280 nan 0.000 0.494 2128 L N -0.339 120.883 121.223 -0.003 0.000 1.971 2128 L HA -0.315 4.030 4.340 0.008 0.000 0.215 2128 L C 2.559 179.341 176.870 -0.147 0.000 1.072 2128 L CA 1.723 56.451 54.840 -0.188 0.000 0.758 2128 L CB -0.687 41.208 42.059 -0.273 0.000 0.889 2128 L HN 0.353 nan 8.230 nan 0.000 0.433 2129 A N -0.370 122.406 122.820 -0.073 0.000 1.902 2129 A HA -0.168 4.157 4.320 0.008 0.000 0.217 2129 A C 2.272 179.723 177.584 -0.222 0.000 1.181 2129 A CA 1.682 53.689 52.037 -0.051 0.000 0.623 2129 A CB -1.364 17.708 19.000 0.120 0.000 0.818 2129 A HN 0.565 nan 8.150 nan 0.000 0.443 2130 G N -0.776 107.776 108.800 -0.414 0.000 2.442 2130 G HA2 -0.219 3.745 3.960 0.008 0.000 0.219 2130 G HA3 -0.219 3.745 3.960 0.008 0.000 0.219 2130 G C 1.625 176.319 174.900 -0.344 0.000 1.141 2130 G CA 1.250 45.865 45.100 -0.807 0.000 0.763 2130 G HN 0.491 nan 8.290 nan 0.000 0.554 2131 M N -0.255 119.251 119.600 -0.157 0.000 2.160 2131 M HA 0.175 4.660 4.480 0.008 0.000 0.264 2131 M C 2.569 178.856 176.300 -0.021 0.000 1.073 2131 M CA 0.789 56.057 55.300 -0.053 0.000 1.142 2131 M CB -0.361 32.223 32.600 -0.026 0.000 1.358 2131 M HN 0.113 nan 8.290 nan 0.000 0.422 2132 L N -0.765 120.420 121.223 -0.062 0.000 2.042 2132 L HA -0.225 4.119 4.340 0.008 0.000 0.210 2132 L C 2.733 179.622 176.870 0.030 0.000 1.076 2132 L CA 1.239 56.059 54.840 -0.034 0.000 0.749 2132 L CB -0.864 41.133 42.059 -0.104 0.000 0.893 2132 L HN 0.340 nan 8.230 nan 0.000 0.432 2133 S N 0.080 115.771 115.700 -0.014 0.000 2.382 2133 S HA -0.140 4.334 4.470 0.008 0.000 0.228 2133 S C 1.998 176.628 174.600 0.050 0.000 1.027 2133 S CA 1.384 59.603 58.200 0.032 0.000 0.991 2133 S CB -0.402 62.797 63.200 -0.002 0.000 0.823 2133 S HN 0.544 nan 8.310 nan 0.000 0.469 2134 G N -0.497 108.310 108.800 0.012 0.000 2.422 2134 G HA2 -0.186 3.778 3.960 0.008 0.000 0.218 2134 G HA3 -0.186 3.778 3.960 0.008 0.000 0.218 2134 G C 1.243 176.193 174.900 0.085 0.000 1.146 2134 G CA 0.934 46.043 45.100 0.015 0.000 0.769 2134 G HN 0.569 nan 8.290 nan 0.000 0.547 2135 Y N 2.055 122.350 120.300 -0.008 0.000 2.060 2135 Y HA -0.133 4.421 4.550 0.008 0.000 0.276 2135 Y C 2.593 178.521 175.900 0.046 0.000 1.127 2135 Y CA 1.860 59.966 58.100 0.010 0.000 1.104 2135 Y CB -0.477 37.980 38.460 -0.005 0.000 0.983 2135 Y HN 0.182 nan 8.280 nan 0.000 0.483 2136 D N -0.174 120.470 120.400 0.406 0.000 2.158 2136 D HA -0.188 4.457 4.640 0.008 0.000 0.197 2136 D C 2.198 178.700 176.300 0.336 0.000 0.995 2136 D CA 1.307 55.500 54.000 0.323 0.000 0.846 2136 D CB -0.363 40.586 40.800 0.250 0.000 0.941 2136 D HN 0.262 nan 8.370 nan 0.000 0.456 2137 L N 0.282 121.667 121.223 0.269 0.000 1.988 2137 L HA -0.060 4.285 4.340 0.008 0.000 0.207 2137 L C 2.532 179.494 176.870 0.154 0.000 1.071 2137 L CA 1.173 56.135 54.840 0.203 0.000 0.744 2137 L CB -0.969 41.113 42.059 0.039 0.000 0.893 2137 L HN 0.060 nan 8.230 nan 0.000 0.433 2138 L N -1.369 119.903 121.223 0.082 0.000 2.017 2138 L HA -0.231 4.114 4.340 0.008 0.000 0.208 2138 L C 2.444 179.341 176.870 0.045 0.000 1.073 2138 L CA 1.111 55.971 54.840 0.033 0.000 0.745 2138 L CB -0.425 41.614 42.059 -0.034 0.000 0.894 2138 L HN 0.318 nan 8.230 nan 0.000 0.432 2139 Q N -0.233 119.601 119.800 0.057 0.000 2.437 2139 Q HA -0.038 4.307 4.340 0.008 0.000 0.210 2139 Q C 1.234 177.306 176.000 0.120 0.000 0.972 2139 Q CA 1.152 56.996 55.803 0.067 0.000 0.903 2139 Q CB 0.212 29.027 28.738 0.129 0.000 0.967 2139 Q HN 0.473 nan 8.270 nan 0.000 0.486 2140 G N -0.272 108.625 108.800 0.162 0.000 2.887 2140 G HA2 0.119 4.084 3.960 0.008 0.000 0.210 2140 G HA3 0.119 4.084 3.960 0.008 0.000 0.210 2140 G C -1.726 173.281 174.900 0.178 0.000 1.964 2140 G CA 0.085 45.291 45.100 0.176 0.000 0.738 2140 G HN 0.185 nan 8.290 nan 0.000 0.790 2141 P HA 0.066 nan 4.420 nan 0.000 0.228 2141 P C 0.621 178.071 177.300 0.251 0.000 1.151 2141 P CA 1.627 64.863 63.100 0.227 0.000 0.770 2141 P CB 0.223 32.093 31.700 0.283 0.000 0.786 2142 A N -0.506 122.452 122.820 0.229 0.000 2.793 2142 A HA 0.207 4.531 4.320 0.008 0.000 0.301 2142 A C 1.901 179.540 177.584 0.092 0.000 1.172 2142 A CA -0.453 51.685 52.037 0.168 0.000 0.973 2142 A CB -0.568 18.502 19.000 0.117 0.000 1.164 2142 A HN -0.019 nan 8.150 nan 0.000 0.542 2143 K N 0.731 121.184 120.400 0.088 0.000 2.044 2143 K HA -0.134 4.190 4.320 0.008 0.000 0.210 2143 K C -0.141 176.479 176.600 0.033 0.000 1.049 2143 K CA 1.470 57.789 56.287 0.054 0.000 0.927 2143 K CB -0.072 32.459 32.500 0.053 0.000 0.713 2143 K HN 0.480 nan 8.250 nan 0.000 0.443 2144 N N 1.232 119.955 118.700 0.038 0.000 3.194 2144 N HA 0.079 4.824 4.740 0.008 0.000 0.271 2144 N C -0.063 175.461 175.510 0.024 0.000 1.308 2144 N CA 0.033 53.098 53.050 0.025 0.000 1.042 2144 N CB 1.474 39.975 38.487 0.024 0.000 1.310 2144 N HN 0.186 nan 8.380 nan 0.000 0.502 2145 L N 0.396 121.627 121.223 0.013 0.000 2.758 2145 L HA 0.393 4.738 4.340 0.008 0.000 0.234 2145 L C -0.474 176.389 176.870 -0.012 0.000 1.049 2145 L CA 0.772 55.613 54.840 0.002 0.000 0.908 2145 L CB 0.789 42.844 42.059 -0.007 0.000 1.362 2145 L HN -0.094 nan 8.230 nan 0.000 0.499 2146 V N 0.707 120.612 119.914 -0.015 0.000 2.588 2146 V HA 0.293 4.417 4.120 0.008 0.000 0.304 2146 V C 0.091 176.176 176.094 -0.016 0.000 1.042 2146 V CA -0.375 61.913 62.300 -0.020 0.000 0.877 2146 V CB 1.718 33.522 31.823 -0.031 0.000 0.996 2146 V HN 0.162 nan 8.190 nan 0.000 0.425 2147 D N 3.074 123.466 120.400 -0.012 0.000 2.162 2147 D HA -0.083 4.561 4.640 0.008 0.000 0.203 2147 D C 1.203 177.494 176.300 -0.016 0.000 0.967 2147 D CA 0.616 54.610 54.000 -0.010 0.000 0.840 2147 D CB 0.169 40.965 40.800 -0.006 0.000 0.972 2147 D HN 0.542 nan 8.370 nan 0.000 0.482 2148 N N 1.236 119.925 118.700 -0.017 0.000 2.411 2148 N HA -0.120 4.624 4.740 0.008 0.000 0.282 2148 N C 0.691 176.180 175.510 -0.034 0.000 1.322 2148 N CA 0.208 53.245 53.050 -0.021 0.000 0.943 2148 N CB 0.960 39.437 38.487 -0.017 0.000 1.266 2148 N HN 0.196 nan 8.380 nan 0.000 0.486 2149 Q N 3.213 122.991 119.800 -0.036 0.000 2.123 2149 Q HA -0.015 4.330 4.340 0.008 0.000 0.196 2149 Q C 0.776 176.737 176.000 -0.065 0.000 0.958 2149 Q CA 1.325 57.095 55.803 -0.055 0.000 0.841 2149 Q CB 0.077 28.790 28.738 -0.042 0.000 0.915 2149 Q HN 0.532 nan 8.270 nan 0.000 0.455 2150 D N 0.214 120.589 120.400 -0.042 0.000 2.172 2150 D HA -0.206 4.438 4.640 0.008 0.000 0.196 2150 D C 1.782 178.056 176.300 -0.044 0.000 0.999 2150 D CA 1.365 55.343 54.000 -0.037 0.000 0.856 2150 D CB 0.023 40.810 40.800 -0.020 0.000 0.934 2150 D HN 0.344 nan 8.370 nan 0.000 0.453 2151 L N 0.532 121.729 121.223 -0.043 0.000 2.044 2151 L HA -0.081 4.264 4.340 0.008 0.000 0.205 2151 L C 2.667 179.491 176.870 -0.075 0.000 1.075 2151 L CA 0.502 55.318 54.840 -0.039 0.000 0.747 2151 L CB -0.306 41.740 42.059 -0.022 0.000 0.903 2151 L HN -0.021 nan 8.230 nan 0.000 0.435 2152 I N 0.324 120.826 120.570 -0.115 0.000 2.315 2152 I HA -0.341 3.834 4.170 0.008 0.000 0.251 2152 I C 1.879 177.787 176.117 -0.348 0.000 1.125 2152 I CA 1.350 62.524 61.300 -0.210 0.000 1.392 2152 I CB -0.452 37.418 38.000 -0.217 0.000 1.065 2152 I HN 0.384 nan 8.210 nan 0.000 0.424 2153 D N 0.648 120.902 120.400 -0.243 0.000 2.234 2153 D HA -0.057 4.587 4.640 0.008 0.000 0.205 2153 D C 2.195 178.459 176.300 -0.061 0.000 0.962 2153 D CA 1.250 55.127 54.000 -0.204 0.000 0.855 2153 D CB -0.303 40.443 40.800 -0.090 0.000 0.951 2153 D HN 0.400 nan 8.370 nan 0.000 0.500 2154 G N 1.349 110.122 108.800 -0.045 0.000 2.470 2154 G HA2 -0.174 3.791 3.960 0.008 0.000 0.220 2154 G HA3 -0.174 3.791 3.960 0.008 0.000 0.220 2154 G C 1.800 176.718 174.900 0.029 0.000 1.121 2154 G CA 0.161 45.262 45.100 0.001 0.000 0.766 2154 G HN 0.224 nan 8.290 nan 0.000 0.553 2155 L N -0.541 120.700 121.223 0.030 0.000 2.042 2155 L HA -0.070 4.275 4.340 0.008 0.000 0.210 2155 L C 2.674 179.614 176.870 0.118 0.000 1.076 2155 L CA 0.570 55.459 54.840 0.081 0.000 0.749 2155 L CB -0.474 41.644 42.059 0.098 0.000 0.893 2155 L HN 0.226 nan 8.230 nan 0.000 0.432 2156 L N -0.092 121.274 121.223 0.239 0.000 2.056 2156 L HA -0.189 4.156 4.340 0.008 0.000 0.207 2156 L C 2.137 179.023 176.870 0.027 0.000 1.078 2156 L CA 1.803 56.732 54.840 0.150 0.000 0.749 2156 L CB -0.744 41.477 42.059 0.270 0.000 0.901 2156 L HN 0.197 nan 8.230 nan 0.000 0.433 2157 D N -0.734 119.693 120.400 0.045 0.000 2.104 2157 D HA -0.211 4.434 4.640 0.008 0.000 0.194 2157 D C 2.102 178.380 176.300 -0.037 0.000 0.994 2157 D CA 1.221 55.226 54.000 0.008 0.000 0.830 2157 D CB -0.055 40.757 40.800 0.021 0.000 0.959 2157 D HN 0.456 nan 8.370 nan 0.000 0.452 2158 Q N 0.361 120.141 119.800 -0.033 0.000 2.167 2158 Q HA -0.029 4.315 4.340 0.008 0.000 0.202 2158 Q C 2.320 178.163 176.000 -0.262 0.000 0.970 2158 Q CA 0.565 56.323 55.803 -0.075 0.000 0.855 2158 Q CB -0.231 28.531 28.738 0.040 0.000 0.911 2158 Q HN 0.164 nan 8.270 nan 0.000 0.438 2159 S N 0.761 116.322 115.700 -0.231 0.000 2.399 2159 S HA -0.148 4.326 4.470 0.008 0.000 0.231 2159 S C 1.878 176.226 174.600 -0.420 0.000 1.022 2159 S CA 1.192 59.184 58.200 -0.347 0.000 0.983 2159 S CB -0.090 62.954 63.200 -0.261 0.000 0.803 2159 S HN 0.321 nan 8.310 nan 0.000 0.480 2160 R N 1.582 121.907 120.500 -0.292 0.000 2.062 2160 R HA -0.002 4.342 4.340 0.008 0.000 0.229 2160 R C 1.951 178.113 176.300 -0.230 0.000 1.128 2160 R CA 1.256 57.194 56.100 -0.270 0.000 0.960 2160 R CB -0.212 30.041 30.300 -0.079 0.000 0.855 2160 R HN 0.325 nan 8.270 nan 0.000 0.432 2161 N N 1.240 119.834 118.700 -0.177 0.000 2.036 2161 N HA -0.238 4.507 4.740 0.008 0.000 0.195 2161 N C 1.798 177.181 175.510 -0.212 0.000 1.037 2161 N CA 1.367 54.339 53.050 -0.129 0.000 0.855 2161 N CB -0.511 37.927 38.487 -0.082 0.000 1.033 2161 N HN 0.167 nan 8.380 nan 0.000 0.423 2162 L N 1.401 122.364 121.223 -0.434 0.000 1.990 2162 L HA -0.123 4.222 4.340 0.008 0.000 0.213 2162 L C 2.303 178.939 176.870 -0.388 0.000 1.072 2162 L CA 1.874 56.368 54.840 -0.577 0.000 0.755 2162 L CB -1.095 40.357 42.059 -1.012 0.000 0.889 2162 L HN 0.192 nan 8.230 nan 0.000 0.432 2163 A N -1.093 121.425 122.820 -0.504 0.000 1.933 2163 A HA -0.223 4.102 4.320 0.008 0.000 0.218 2163 A C 1.987 179.533 177.584 -0.063 0.000 1.175 2163 A CA 1.867 53.572 52.037 -0.553 0.000 0.628 2163 A CB -0.824 17.490 19.000 -1.143 0.000 0.814 2163 A HN 0.567 nan 8.150 nan 0.000 0.444 2164 D N -0.359 120.033 120.400 -0.013 0.000 2.178 2164 D HA -0.111 4.534 4.640 0.008 0.000 0.202 2164 D C 2.178 178.583 176.300 0.175 0.000 0.974 2164 D CA 1.693 55.789 54.000 0.160 0.000 0.841 2164 D CB -0.295 40.582 40.800 0.129 0.000 0.953 2164 D HN 0.480 nan 8.370 nan 0.000 0.478 2165 V N -1.305 118.678 119.914 0.115 0.000 2.591 2165 V HA -0.041 4.083 4.120 0.008 0.000 0.249 2165 V C 2.187 178.428 176.094 0.245 0.000 1.053 2165 V CA 0.876 63.296 62.300 0.201 0.000 1.068 2165 V CB -0.670 31.236 31.823 0.138 0.000 0.689 2165 V HN 0.066 nan 8.190 nan 0.000 0.462 2166 L N 0.960 122.259 121.223 0.126 0.000 2.270 2166 L HA 0.017 4.361 4.340 0.008 0.000 0.210 2166 L C 2.816 179.646 176.870 -0.066 0.000 1.104 2166 L CA 1.511 56.360 54.840 0.015 0.000 0.804 2166 L CB -0.616 41.533 42.059 0.150 0.000 0.937 2166 L HN 0.445 nan 8.230 nan 0.000 0.450 2167 K N 1.369 121.934 120.400 0.275 0.000 2.160 2167 K HA -0.246 4.078 4.320 0.008 0.000 0.206 2167 K C 2.013 178.728 176.600 0.192 0.000 1.047 2167 K CA 1.992 58.518 56.287 0.398 0.000 0.930 2167 K CB -0.965 31.852 32.500 0.529 0.000 0.720 2167 K HN 0.364 nan 8.250 nan 0.000 0.450 2168 F N 1.363 121.414 119.950 0.169 0.000 2.411 2168 F HA 0.027 4.558 4.527 0.008 0.000 0.299 2168 F C 2.027 177.880 175.800 0.089 0.000 1.077 2168 F CA 0.429 58.475 58.000 0.077 0.000 1.439 2168 F CB -0.691 38.265 39.000 -0.073 0.000 1.085 2168 F HN 0.059 nan 8.300 nan 0.000 0.564 2169 A N 0.198 122.706 122.820 -0.521 0.000 2.067 2169 A HA -0.013 4.312 4.320 0.008 0.000 0.219 2169 A C 1.881 179.305 177.584 -0.266 0.000 1.158 2169 A CA 1.166 52.945 52.037 -0.429 0.000 0.661 2169 A CB -1.367 17.238 19.000 -0.657 0.000 0.801 2169 A HN 0.475 nan 8.150 nan 0.000 0.452 2170 F N 0.407 120.315 119.950 -0.071 0.000 2.335 2170 F HA 0.009 4.541 4.527 0.007 0.000 0.296 2170 F C 0.145 175.929 175.800 -0.026 0.000 1.091 2170 F CA 0.154 58.104 58.000 -0.083 0.000 1.399 2170 F CB -0.239 38.687 39.000 -0.122 0.000 1.067 2170 F HN 0.070 nan 8.300 nan 0.000 0.520 2171 D N 1.586 122.113 120.400 0.210 0.000 2.449 2171 D HA 0.058 4.703 4.640 0.008 0.000 0.278 2171 D C 0.549 176.917 176.300 0.114 0.000 1.417 2171 D CA 0.582 54.676 54.000 0.157 0.000 1.192 2171 D CB -0.262 40.642 40.800 0.173 0.000 1.129 2171 D HN 0.194 nan 8.370 nan 0.000 0.539 2172 T N -1.310 113.273 114.554 0.049 0.000 2.778 2172 T HA 0.531 4.886 4.350 0.008 0.000 0.293 2172 T C -1.965 172.725 174.700 -0.016 0.000 1.144 2172 T CA -1.600 60.489 62.100 -0.019 0.000 1.010 2172 T CB 1.386 70.142 68.868 -0.188 0.000 1.325 2172 T HN -0.180 nan 8.240 nan 0.000 0.515 2173 P HA -0.145 nan 4.420 nan 0.000 0.205 2173 P C 1.985 179.275 177.300 -0.017 0.000 1.164 2173 P CA 2.382 65.467 63.100 -0.025 0.000 0.938 2173 P CB -0.315 31.356 31.700 -0.049 0.000 0.777 2174 S N -1.944 113.709 115.700 -0.079 0.000 2.344 2174 S HA -0.011 4.463 4.470 0.008 0.000 0.217 2174 S C 1.849 176.480 174.600 0.051 0.000 1.033 2174 S CA 1.677 59.838 58.200 -0.065 0.000 1.017 2174 S CB -1.306 61.614 63.200 -0.467 0.000 0.941 2174 S HN 0.429 nan 8.310 nan 0.000 0.430 2175 G N -0.454 108.327 108.800 -0.031 0.000 2.672 2175 G HA2 -0.084 3.881 3.960 0.008 0.000 0.197 2175 G HA3 -0.084 3.881 3.960 0.008 0.000 0.197 2175 G C -0.058 174.874 174.900 0.054 0.000 0.995 2175 G CA -0.197 44.946 45.100 0.071 0.000 0.754 2175 G HN 0.666 nan 8.290 nan 0.000 0.505 2176 V N 4.856 124.702 119.914 -0.114 0.000 2.434 2176 V HA 0.238 4.362 4.120 0.008 0.000 0.281 2176 V C -0.685 175.280 176.094 -0.215 0.000 1.005 2176 V CA -0.286 61.914 62.300 -0.166 0.000 1.089 2176 V CB 0.542 32.163 31.823 -0.336 0.000 0.978 2176 V HN 0.346 nan 8.190 nan 0.000 0.474 2177 P HA 0.036 nan 4.420 nan 0.000 0.272 2177 P C -0.892 176.197 177.300 -0.351 0.000 1.254 2177 P CA -0.220 62.674 63.100 -0.343 0.000 0.795 2177 P CB 0.707 31.972 31.700 -0.724 0.000 1.022 2178 Y N 0.127 120.280 120.300 -0.245 0.000 2.353 2178 Y HA 0.137 4.691 4.550 0.007 0.000 0.340 2178 Y C 1.852 177.643 175.900 -0.182 0.000 0.972 2178 Y CA -0.305 57.703 58.100 -0.154 0.000 1.157 2178 Y CB 0.888 39.303 38.460 -0.075 0.000 1.157 2178 Y HN 0.343 nan 8.280 nan 0.000 0.495 2179 N N 2.480 121.209 118.700 0.048 0.000 2.250 2179 N HA -0.105 4.640 4.740 0.008 0.000 0.181 2179 N C -0.626 174.918 175.510 0.057 0.000 1.017 2179 N CA 0.827 53.887 53.050 0.017 0.000 0.866 2179 N CB 0.152 38.652 38.487 0.022 0.000 0.985 2179 N HN 0.590 nan 8.380 nan 0.000 0.429 2180 N N 1.203 119.947 118.700 0.073 0.000 2.678 2180 N HA 0.204 4.949 4.740 0.008 0.000 0.231 2180 N C -0.720 174.825 175.510 0.059 0.000 1.038 2180 N CA -0.418 52.671 53.050 0.065 0.000 0.932 2180 N CB 0.854 39.371 38.487 0.051 0.000 1.176 2180 N HN 0.245 nan 8.380 nan 0.000 0.511 2181 I N -1.422 119.205 120.570 0.095 0.000 3.133 2181 I HA 0.588 4.763 4.170 0.008 0.000 0.311 2181 I C -0.870 175.378 176.117 0.220 0.000 1.072 2181 I CA -0.831 60.575 61.300 0.176 0.000 1.015 2181 I CB 2.119 40.271 38.000 0.252 0.000 1.233 2181 I HN 0.220 nan 8.210 nan 0.000 0.473 2182 N N 3.253 122.124 118.700 0.284 0.000 2.518 2182 N HA 0.322 5.067 4.740 0.008 0.000 0.254 2182 N C 0.388 176.084 175.510 0.310 0.000 0.979 2182 N CA -0.631 52.540 53.050 0.201 0.000 0.930 2182 N CB 0.990 39.522 38.487 0.075 0.000 1.152 2182 N HN 0.756 nan 8.380 nan 0.000 0.505 2183 I N 0.765 121.547 120.570 0.353 0.000 3.493 2183 I HA 0.069 4.244 4.170 0.008 0.000 0.311 2183 I C 0.064 176.288 176.117 0.178 0.000 1.210 2183 I CA 0.247 61.815 61.300 0.446 0.000 1.210 2183 I CB -0.318 37.939 38.000 0.428 0.000 0.993 2183 I HN 0.214 nan 8.210 nan 0.000 0.539 2184 T N -0.217 114.327 114.554 -0.017 0.000 3.321 2184 T HA 0.008 4.362 4.350 0.008 0.000 0.251 2184 T C 1.675 176.089 174.700 -0.477 0.000 0.999 2184 T CA 0.777 62.752 62.100 -0.208 0.000 1.186 2184 T CB -0.007 68.810 68.868 -0.085 0.000 1.163 2184 T HN 0.528 nan 8.240 nan 0.000 0.399 2185 S N 0.923 116.453 115.700 -0.283 0.000 2.561 2185 S HA -0.045 4.430 4.470 0.008 0.000 0.225 2185 S C 0.643 175.068 174.600 -0.293 0.000 0.977 2185 S CA 1.069 59.105 58.200 -0.273 0.000 0.926 2185 S CB -0.823 62.300 63.200 -0.128 0.000 0.769 2185 S HN 0.748 nan 8.310 nan 0.000 0.533 2186 H N -0.531 118.346 119.070 -0.322 0.000 3.179 2186 H HA -0.137 4.423 4.556 0.007 0.000 0.250 2186 H C 0.865 176.027 175.328 -0.276 0.000 1.142 2186 H CA -0.021 55.589 56.048 -0.730 0.000 1.165 2186 H CB -1.763 27.526 29.762 -0.789 0.000 1.253 2186 H HN 0.649 nan 8.280 nan 0.000 0.325 2187 G N 0.240 109.024 108.800 -0.027 0.000 2.563 2187 G HA2 0.453 4.417 3.960 0.008 0.000 0.283 2187 G HA3 0.453 4.417 3.960 0.008 0.000 0.283 2187 G C 0.092 174.979 174.900 -0.021 0.000 1.309 2187 G CA 0.015 45.098 45.100 -0.029 0.000 1.022 2187 G HN 0.470 nan 8.290 nan 0.000 0.501 2188 N N -2.825 115.791 118.700 -0.140 0.000 2.825 2188 N HA 0.207 4.951 4.740 0.008 0.000 0.253 2188 N C 0.074 175.473 175.510 -0.185 0.000 1.426 2188 N CA -0.405 52.514 53.050 -0.218 0.000 0.851 2188 N CB 1.190 39.309 38.487 -0.614 0.000 1.470 2188 N HN 0.313 nan 8.380 nan 0.000 0.517 2189 D N -0.189 120.131 120.400 -0.133 0.000 2.292 2189 D HA -0.069 4.576 4.640 0.008 0.000 0.205 2189 D C 1.177 177.438 176.300 -0.065 0.000 0.994 2189 D CA 2.429 56.391 54.000 -0.063 0.000 0.897 2189 D CB -0.589 40.203 40.800 -0.013 0.000 0.907 2189 D HN 1.067 nan 8.370 nan 0.000 0.467 2190 G N -1.278 107.445 108.800 -0.129 0.000 2.182 2190 G HA2 -0.115 3.850 3.960 0.008 0.000 0.248 2190 G HA3 -0.115 3.850 3.960 0.008 0.000 0.248 2190 G C 0.282 175.197 174.900 0.025 0.000 1.042 2190 G CA 0.477 45.539 45.100 -0.064 0.000 0.775 2190 G HN 0.738 nan 8.290 nan 0.000 0.501 2191 A N -0.388 122.490 122.820 0.096 0.000 2.302 2191 A HA 0.851 5.176 4.320 0.008 0.000 0.285 2191 A C 1.290 178.976 177.584 0.169 0.000 1.105 2191 A CA 0.824 52.937 52.037 0.127 0.000 0.816 2191 A CB 0.729 19.800 19.000 0.118 0.000 1.067 2191 A HN 1.568 nan 8.150 nan 0.000 0.489 2192 T N -1.847 112.742 114.554 0.059 0.000 3.215 2192 T HA 0.467 4.821 4.350 0.008 0.000 0.271 2192 T C 0.210 174.874 174.700 -0.059 0.000 1.012 2192 T CA 0.466 62.572 62.100 0.009 0.000 0.899 2192 T CB -0.985 67.881 68.868 -0.004 0.000 1.089 2192 T HN 1.381 nan 8.240 nan 0.000 0.552 2193 T N -1.482 113.030 114.554 -0.070 0.000 2.700 2193 T HA 0.617 4.971 4.350 0.008 0.000 0.307 2193 T C -2.008 172.609 174.700 -0.139 0.000 1.580 2193 T CA -0.947 61.071 62.100 -0.137 0.000 0.992 2193 T CB 1.584 70.377 68.868 -0.126 0.000 1.577 2193 T HN 0.074 nan 8.240 nan 0.000 0.496 2194 N N -0.960 117.622 118.700 -0.197 0.000 2.425 2194 N HA 0.613 5.358 4.740 0.008 0.000 0.289 2194 N C 0.068 175.438 175.510 -0.234 0.000 1.074 2194 N CA -0.020 52.917 53.050 -0.190 0.000 0.905 2194 N CB 2.063 40.421 38.487 -0.216 0.000 1.586 2194 N HN 1.146 nan 8.380 nan 0.000 0.490 2195 G N 1.465 110.142 108.800 -0.204 0.000 2.664 2195 G HA2 0.074 4.039 3.960 0.008 0.000 0.242 2195 G HA3 0.074 4.039 3.960 0.008 0.000 0.242 2195 G C 1.186 175.914 174.900 -0.287 0.000 1.225 2195 G CA -0.404 44.560 45.100 -0.227 0.000 0.849 2195 G HN 0.624 nan 8.290 nan 0.000 0.581 2196 L N 1.083 122.124 121.223 -0.304 0.000 1.970 2196 L HA -0.192 4.153 4.340 0.008 0.000 0.212 2196 L C 3.213 179.897 176.870 -0.310 0.000 1.071 2196 L CA 2.180 56.794 54.840 -0.376 0.000 0.751 2196 L CB -0.571 41.280 42.059 -0.347 0.000 0.889 2196 L HN 0.666 nan 8.230 nan 0.000 0.432 2197 A N -0.312 122.350 122.820 -0.264 0.000 1.865 2197 A HA -0.232 4.092 4.320 0.008 0.000 0.217 2197 A C 2.136 179.489 177.584 -0.384 0.000 1.191 2197 A CA 2.481 54.341 52.037 -0.296 0.000 0.623 2197 A CB -1.184 17.599 19.000 -0.362 0.000 0.826 2197 A HN 0.485 nan 8.150 nan 0.000 0.444 2198 V N -2.809 116.826 119.914 -0.465 0.000 2.720 2198 V HA -0.140 3.985 4.120 0.008 0.000 0.256 2198 V C 2.005 178.014 176.094 -0.142 0.000 1.082 2198 V CA 2.559 64.623 62.300 -0.394 0.000 1.101 2198 V CB -1.549 30.089 31.823 -0.310 0.000 0.693 2198 V HN 0.447 nan 8.190 nan 0.000 0.479 2199 T N 1.112 115.567 114.554 -0.165 0.000 2.939 2199 T HA 0.177 4.531 4.350 0.008 0.000 0.254 2199 T C 1.705 176.392 174.700 -0.022 0.000 1.041 2199 T CA 1.167 63.204 62.100 -0.105 0.000 1.142 2199 T CB -0.366 68.394 68.868 -0.179 0.000 0.874 2199 T HN 0.643 nan 8.240 nan 0.000 0.452 2200 G N 1.017 109.798 108.800 -0.032 0.000 3.181 2200 G HA2 0.112 4.077 3.960 0.008 0.000 0.219 2200 G HA3 0.112 4.077 3.960 0.008 0.000 0.219 2200 G C 0.556 175.526 174.900 0.117 0.000 1.182 2200 G CA 0.182 45.372 45.100 0.150 0.000 0.791 2200 G HN 0.428 nan 8.290 nan 0.000 0.537 2201 T N 0.810 115.383 114.554 0.031 0.000 3.374 2201 T HA 0.365 4.720 4.350 0.008 0.000 0.267 2201 T C 1.158 176.012 174.700 0.258 0.000 0.996 2201 T CA -0.248 61.786 62.100 -0.109 0.000 0.977 2201 T CB 0.136 68.901 68.868 -0.171 0.000 1.149 2201 T HN 0.158 nan 8.240 nan 0.000 0.517 2202 L N -0.438 121.000 121.223 0.360 0.000 2.854 2202 L HA 0.148 4.492 4.340 0.008 0.000 0.249 2202 L C 2.441 179.567 176.870 0.427 0.000 1.091 2202 L CA -0.016 55.079 54.840 0.425 0.000 0.935 2202 L CB -0.307 41.884 42.059 0.219 0.000 1.367 2202 L HN 0.186 nan 8.230 nan 0.000 0.524 2203 V N -0.947 119.154 119.914 0.312 0.000 2.317 2203 V HA -0.346 3.778 4.120 0.008 0.000 0.251 2203 V C 2.294 178.426 176.094 0.064 0.000 1.065 2203 V CA 1.848 64.263 62.300 0.191 0.000 1.049 2203 V CB -0.824 31.106 31.823 0.178 0.000 0.651 2203 V HN 0.387 nan 8.190 nan 0.000 0.450 2204 L N 0.808 122.005 121.223 -0.044 0.000 1.976 2204 L HA -0.166 4.179 4.340 0.008 0.000 0.209 2204 L C 3.187 179.927 176.870 -0.217 0.000 1.071 2204 L CA 2.696 57.340 54.840 -0.328 0.000 0.746 2204 L CB -0.512 41.182 42.059 -0.608 0.000 0.890 2204 L HN 0.569 nan 8.230 nan 0.000 0.432 2205 E N -0.868 119.328 120.200 -0.007 0.000 2.106 2205 E HA -0.251 4.104 4.350 0.008 0.000 0.192 2205 E C 1.965 178.524 176.600 -0.069 0.000 0.984 2205 E CA 1.234 57.606 56.400 -0.045 0.000 0.806 2205 E CB -0.748 28.958 29.700 0.009 0.000 0.750 2205 E HN 0.561 nan 8.360 nan 0.000 0.458 2206 W N 2.303 123.571 121.300 -0.052 0.000 2.378 2206 W HA -0.048 4.617 4.660 0.008 0.000 0.313 2206 W C 2.664 179.170 176.519 -0.021 0.000 1.197 2206 W CA 1.873 59.201 57.345 -0.029 0.000 1.304 2206 W CB -0.982 28.505 29.460 0.045 0.000 1.148 2206 W HN 0.003 nan 8.180 nan 0.000 0.494 2207 T N 0.237 114.892 114.554 0.169 0.000 2.759 2207 T HA -0.265 4.090 4.350 0.008 0.000 0.269 2207 T C 1.756 176.456 174.700 0.000 0.000 1.042 2207 T CA 1.801 63.952 62.100 0.085 0.000 1.140 2207 T CB -0.303 68.568 68.868 0.005 0.000 0.864 2207 T HN -0.088 nan 8.240 nan 0.000 0.455 2208 R N 0.908 121.313 120.500 -0.157 0.000 2.096 2208 R HA 0.046 4.391 4.340 0.008 0.000 0.235 2208 R C 2.100 178.354 176.300 -0.077 0.000 1.127 2208 R CA 1.023 57.030 56.100 -0.154 0.000 0.968 2208 R CB -0.992 29.161 30.300 -0.244 0.000 0.861 2208 R HN 0.360 nan 8.270 nan 0.000 0.440 2209 L N -0.182 120.983 121.223 -0.098 0.000 2.044 2209 L HA 0.015 4.360 4.340 0.008 0.000 0.205 2209 L C 2.003 178.918 176.870 0.075 0.000 1.075 2209 L CA 1.855 56.627 54.840 -0.112 0.000 0.747 2209 L CB -0.921 40.937 42.059 -0.334 0.000 0.903 2209 L HN 0.137 nan 8.230 nan 0.000 0.435 2210 S N -0.171 115.661 115.700 0.220 0.000 2.365 2210 S HA -0.237 4.237 4.470 0.008 0.000 0.225 2210 S C 1.590 176.260 174.600 0.116 0.000 1.039 2210 S CA 1.710 60.055 58.200 0.241 0.000 1.033 2210 S CB -0.511 62.810 63.200 0.202 0.000 0.887 2210 S HN 0.550 nan 8.310 nan 0.000 0.447 2211 D N 0.745 121.205 120.400 0.099 0.000 2.178 2211 D HA 0.002 4.646 4.640 0.008 0.000 0.201 2211 D C 1.754 178.069 176.300 0.025 0.000 0.980 2211 D CA 0.669 54.716 54.000 0.077 0.000 0.842 2211 D CB -0.118 40.765 40.800 0.139 0.000 0.948 2211 D HN 0.309 nan 8.370 nan 0.000 0.472 2212 L N -0.024 121.194 121.223 -0.007 0.000 2.202 2212 L HA -0.013 4.332 4.340 0.008 0.000 0.205 2212 L C 2.320 179.167 176.870 -0.038 0.000 1.083 2212 L CA 1.065 55.860 54.840 -0.074 0.000 0.790 2212 L CB -0.348 41.598 42.059 -0.188 0.000 0.942 2212 L HN 0.160 nan 8.230 nan 0.000 0.452 2213 T N -3.426 111.137 114.554 0.015 0.000 2.925 2213 T HA 0.211 4.565 4.350 0.008 0.000 0.232 2213 T C 1.340 176.061 174.700 0.035 0.000 1.055 2213 T CA 0.852 62.978 62.100 0.045 0.000 1.419 2213 T CB -0.059 68.886 68.868 0.127 0.000 1.094 2213 T HN 0.306 nan 8.240 nan 0.000 0.423 2214 G N 0.537 109.361 108.800 0.040 0.000 3.989 2214 G HA2 0.048 4.013 3.960 0.008 0.000 0.183 2214 G HA3 0.048 4.013 3.960 0.008 0.000 0.183 2214 G C -0.376 174.514 174.900 -0.017 0.000 0.892 2214 G CA 0.154 45.261 45.100 0.011 0.000 0.914 2214 G HN 0.660 nan 8.290 nan 0.000 0.347 2215 D N 1.847 122.217 120.400 -0.050 0.000 2.402 2215 D HA 0.164 4.808 4.640 0.008 0.000 0.268 2215 D C 0.987 177.163 176.300 -0.206 0.000 1.294 2215 D CA 0.254 54.153 54.000 -0.168 0.000 0.945 2215 D CB 0.710 41.337 40.800 -0.289 0.000 1.112 2215 D HN 0.539 nan 8.370 nan 0.000 0.517 2216 E N 2.536 122.659 120.200 -0.128 0.000 2.494 2216 E HA -0.083 4.272 4.350 0.008 0.000 0.193 2216 E C 1.297 177.837 176.600 -0.101 0.000 1.074 2216 E CA -0.065 56.295 56.400 -0.067 0.000 0.867 2216 E CB 0.281 29.965 29.700 -0.028 0.000 0.924 2216 E HN 0.638 nan 8.360 nan 0.000 0.502 2217 E N 0.289 120.345 120.200 -0.240 0.000 2.153 2217 E HA -0.214 4.140 4.350 0.008 0.000 0.194 2217 E C 0.954 177.502 176.600 -0.087 0.000 0.988 2217 E CA 1.006 57.283 56.400 -0.206 0.000 0.811 2217 E CB 0.085 29.616 29.700 -0.281 0.000 0.746 2217 E HN 0.326 nan 8.360 nan 0.000 0.466 2218 Y N 0.341 120.714 120.300 0.121 0.000 2.163 2218 Y HA -0.074 4.481 4.550 0.008 0.000 0.288 2218 Y C 2.467 178.479 175.900 0.187 0.000 1.136 2218 Y CA 0.930 59.202 58.100 0.285 0.000 1.147 2218 Y CB -1.147 37.464 38.460 0.251 0.000 0.987 2218 Y HN 0.138 nan 8.280 nan 0.000 0.509 2219 A N 0.074 123.048 122.820 0.256 0.000 1.902 2219 A HA -0.223 4.102 4.320 0.008 0.000 0.217 2219 A C 2.294 179.916 177.584 0.063 0.000 1.181 2219 A CA 1.963 54.099 52.037 0.166 0.000 0.623 2219 A CB -0.668 18.420 19.000 0.147 0.000 0.818 2219 A HN 0.427 nan 8.150 nan 0.000 0.443 2220 K N -0.243 120.161 120.400 0.006 0.000 2.001 2220 K HA -0.048 4.276 4.320 0.008 0.000 0.208 2220 K C 1.895 178.404 176.600 -0.152 0.000 1.048 2220 K CA 1.388 57.646 56.287 -0.048 0.000 0.932 2220 K CB -0.372 32.096 32.500 -0.054 0.000 0.715 2220 K HN 0.440 nan 8.250 nan 0.000 0.437 2221 L N 1.004 122.057 121.223 -0.283 0.000 2.013 2221 L HA -0.251 4.093 4.340 0.008 0.000 0.212 2221 L C 2.682 179.042 176.870 -0.851 0.000 1.073 2221 L CA 1.834 56.278 54.840 -0.659 0.000 0.753 2221 L CB -0.771 40.691 42.059 -0.994 0.000 0.890 2221 L HN 0.382 nan 8.230 nan 0.000 0.432 2222 S N -0.676 114.614 115.700 -0.683 0.000 2.355 2222 S HA -0.226 4.248 4.470 0.008 0.000 0.222 2222 S C 1.868 176.404 174.600 -0.107 0.000 1.031 2222 S CA 0.938 58.883 58.200 -0.425 0.000 0.993 2222 S CB -0.504 62.565 63.200 -0.218 0.000 0.859 2222 S HN 0.482 nan 8.310 nan 0.000 0.453 2223 Q N 0.801 120.590 119.800 -0.019 0.000 2.230 2223 Q HA 0.004 4.349 4.340 0.008 0.000 0.202 2223 Q C 2.096 178.127 176.000 0.051 0.000 0.963 2223 Q CA 1.232 57.098 55.803 0.106 0.000 0.866 2223 Q CB -0.221 28.622 28.738 0.175 0.000 0.931 2223 Q HN 0.504 nan 8.270 nan 0.000 0.452 2224 K N 1.451 121.836 120.400 -0.025 0.000 2.097 2224 K HA -0.080 4.245 4.320 0.008 0.000 0.205 2224 K C 1.800 178.436 176.600 0.060 0.000 1.050 2224 K CA 1.434 57.710 56.287 -0.018 0.000 0.938 2224 K CB -0.388 32.091 32.500 -0.036 0.000 0.718 2224 K HN 0.143 nan 8.250 nan 0.000 0.442 2225 A N 0.313 123.177 122.820 0.075 0.000 1.930 2225 A HA -0.104 4.220 4.320 0.008 0.000 0.217 2225 A C 2.094 179.785 177.584 0.179 0.000 1.175 2225 A CA 1.749 53.895 52.037 0.181 0.000 0.627 2225 A CB -0.574 18.522 19.000 0.160 0.000 0.815 2225 A HN 0.504 nan 8.150 nan 0.000 0.443 2226 E N 0.710 120.976 120.200 0.109 0.000 2.150 2226 E HA -0.139 4.216 4.350 0.008 0.000 0.193 2226 E C 2.106 178.728 176.600 0.036 0.000 0.985 2226 E CA 1.425 57.881 56.400 0.093 0.000 0.814 2226 E CB -0.260 29.514 29.700 0.123 0.000 0.752 2226 E HN 0.694 nan 8.360 nan 0.000 0.466 2227 S N -0.381 115.306 115.700 -0.021 0.000 2.368 2227 S HA -0.301 4.174 4.470 0.008 0.000 0.226 2227 S C 1.894 176.404 174.600 -0.150 0.000 1.044 2227 S CA 1.588 59.704 58.200 -0.140 0.000 1.062 2227 S CB -1.112 61.911 63.200 -0.295 0.000 0.931 2227 S HN 0.443 nan 8.310 nan 0.000 0.440 2228 Y N 2.381 122.692 120.300 0.019 0.000 2.256 2228 Y HA 0.004 4.558 4.550 0.007 0.000 0.288 2228 Y C 2.377 178.346 175.900 0.115 0.000 1.155 2228 Y CA 1.156 59.287 58.100 0.053 0.000 1.203 2228 Y CB -0.639 37.834 38.460 0.022 0.000 0.980 2228 Y HN 0.247 nan 8.280 nan 0.000 0.530 2229 L N -1.050 120.288 121.223 0.192 0.000 2.179 2229 L HA -0.132 4.213 4.340 0.008 0.000 0.208 2229 L C 2.020 178.955 176.870 0.109 0.000 1.096 2229 L CA 0.742 55.659 54.840 0.128 0.000 0.779 2229 L CB -0.563 41.407 42.059 -0.148 0.000 0.922 2229 L HN 0.253 nan 8.230 nan 0.000 0.443 2230 L N -0.528 120.731 121.223 0.059 0.000 2.156 2230 L HA -0.051 4.294 4.340 0.008 0.000 0.208 2230 L C 1.334 178.211 176.870 0.011 0.000 1.095 2230 L CA 0.971 55.822 54.840 0.019 0.000 0.770 2230 L CB -0.207 41.814 42.059 -0.064 0.000 0.914 2230 L HN 0.101 nan 8.230 nan 0.000 0.439 2231 K N 1.318 121.720 120.400 0.003 0.000 2.724 2231 K HA 0.273 4.597 4.320 0.008 0.000 0.198 2231 K C -2.342 174.253 176.600 -0.009 0.000 1.099 2231 K CA -1.943 54.337 56.287 -0.011 0.000 1.025 2231 K CB 0.825 33.310 32.500 -0.025 0.000 1.509 2231 K HN -0.045 nan 8.250 nan 0.000 0.564 2232 P HA -0.016 nan 4.420 nan 0.000 0.263 2232 P C -0.853 176.338 177.300 -0.183 0.000 1.195 2232 P CA 0.271 63.208 63.100 -0.272 0.000 0.762 2232 P CB 0.772 32.156 31.700 -0.526 0.000 0.799 2233 Q N 4.103 123.844 119.800 -0.098 0.000 2.315 2233 Q HA 0.411 4.756 4.340 0.008 0.000 0.273 2233 Q C -2.471 173.545 176.000 0.027 0.000 1.053 2233 Q CA -2.116 53.673 55.803 -0.022 0.000 0.817 2233 Q CB 3.060 31.827 28.738 0.048 0.000 1.326 2233 Q HN 0.404 nan 8.270 nan 0.000 0.423 2234 P HA -0.029 nan 4.420 nan 0.000 0.274 2234 P C 0.459 177.706 177.300 -0.088 0.000 1.237 2234 P CA -0.139 62.940 63.100 -0.035 0.000 0.793 2234 P CB 1.208 32.899 31.700 -0.016 0.000 0.977 2235 S N 0.470 116.124 115.700 -0.075 0.000 2.440 2235 S HA -0.176 4.299 4.470 0.008 0.000 0.240 2235 S C 1.760 176.294 174.600 -0.109 0.000 1.014 2235 S CA 1.640 59.785 58.200 -0.093 0.000 0.980 2235 S CB -1.563 61.598 63.200 -0.066 0.000 0.775 2235 S HN 0.611 nan 8.310 nan 0.000 0.499 2236 S N 0.917 116.563 115.700 -0.089 0.000 2.481 2236 S HA 0.063 4.537 4.470 0.008 0.000 0.231 2236 S C 1.709 176.245 174.600 -0.106 0.000 0.996 2236 S CA 0.801 58.949 58.200 -0.087 0.000 0.942 2236 S CB -0.684 62.483 63.200 -0.054 0.000 0.768 2236 S HN 0.479 nan 8.310 nan 0.000 0.520 2237 S N 1.155 116.775 115.700 -0.134 0.000 2.561 2237 S HA 0.107 4.581 4.470 0.008 0.000 0.225 2237 S C 0.730 175.192 174.600 -0.230 0.000 0.977 2237 S CA 0.259 58.356 58.200 -0.172 0.000 0.926 2237 S CB -0.138 62.887 63.200 -0.291 0.000 0.769 2237 S HN 0.767 nan 8.310 nan 0.000 0.533 2238 E N 1.290 121.360 120.200 -0.217 0.000 2.969 2238 E HA 0.227 4.581 4.350 0.008 0.000 0.213 2238 E C -2.225 174.232 176.600 -0.238 0.000 1.107 2238 E CA -2.069 54.215 56.400 -0.194 0.000 1.007 2238 E CB 0.564 30.160 29.700 -0.172 0.000 1.326 2238 E HN 0.037 nan 8.360 nan 0.000 0.432 2239 P HA -0.095 nan 4.420 nan 0.000 0.218 2239 P C -0.716 175.905 177.300 -1.131 0.000 1.146 2239 P CA 1.274 63.923 63.100 -0.752 0.000 0.813 2239 P CB 0.101 31.271 31.700 -0.883 0.000 0.778 2240 F N -3.807 116.028 119.950 -0.192 0.000 2.626 2240 F HA 0.422 4.954 4.527 0.008 0.000 0.311 2240 F C -2.517 173.235 175.800 -0.080 0.000 1.088 2240 F CA -3.240 54.644 58.000 -0.193 0.000 0.949 2240 F CB 0.791 39.613 39.000 -0.296 0.000 1.322 2240 F HN -0.490 nan 8.300 nan 0.000 0.461 2241 P HA 0.169 nan 4.420 nan 0.000 0.262 2241 P C 0.668 178.033 177.300 0.108 0.000 1.199 2241 P CA 1.373 64.529 63.100 0.092 0.000 0.763 2241 P CB 0.416 32.168 31.700 0.087 0.000 0.790 2242 G N 2.572 111.429 108.800 0.095 0.000 2.253 2242 G HA2 -0.244 3.720 3.960 0.008 0.000 0.251 2242 G HA3 -0.244 3.720 3.960 0.008 0.000 0.251 2242 G C -0.184 174.867 174.900 0.250 0.000 0.998 2242 G CA -0.415 44.771 45.100 0.143 0.000 0.621 2242 G HN 0.455 nan 8.290 nan 0.000 0.524 2243 L N 2.038 123.396 121.223 0.223 0.000 2.261 2243 L HA 0.639 4.984 4.340 0.008 0.000 0.289 2243 L C 0.995 177.987 176.870 0.204 0.000 1.059 2243 L CA -0.770 54.246 54.840 0.294 0.000 0.816 2243 L CB 0.935 43.187 42.059 0.323 0.000 1.191 2243 L HN 0.558 nan 8.230 nan 0.000 0.431 2244 V N 0.833 120.897 119.914 0.250 0.000 3.345 2244 V HA 0.989 5.114 4.120 0.008 0.000 0.308 2244 V C 0.594 176.793 176.094 0.175 0.000 1.168 2244 V CA -0.650 61.682 62.300 0.052 0.000 1.024 2244 V CB 1.036 32.806 31.823 -0.089 0.000 1.211 2244 V HN 0.660 nan 8.190 nan 0.000 0.461 2245 G N -0.094 108.859 108.800 0.255 0.000 2.537 2245 G HA2 0.429 4.393 3.960 0.008 0.000 0.273 2245 G HA3 0.429 4.393 3.960 0.008 0.000 0.273 2245 G C 0.572 175.615 174.900 0.239 0.000 1.189 2245 G CA 0.136 45.444 45.100 0.347 0.000 0.881 2245 G HN 0.964 nan 8.290 nan 0.000 0.535 2246 S N -0.669 115.086 115.700 0.093 0.000 2.527 2246 S HA 0.129 4.603 4.470 0.008 0.000 0.222 2246 S C 0.924 175.439 174.600 -0.142 0.000 0.985 2246 S CA 0.484 58.672 58.200 -0.021 0.000 0.921 2246 S CB -0.031 63.172 63.200 0.005 0.000 0.772 2246 S HN 0.839 nan 8.310 nan 0.000 0.529 2247 S N 0.705 116.292 115.700 -0.188 0.000 2.540 2247 S HA 0.764 5.238 4.470 0.008 0.000 0.275 2247 S C -1.187 173.131 174.600 -0.470 0.000 1.123 2247 S CA -0.937 57.095 58.200 -0.281 0.000 0.907 2247 S CB 1.409 64.511 63.200 -0.164 0.000 1.081 2247 S HN 0.043 nan 8.310 nan 0.000 0.476 2248 I N 1.917 122.176 120.570 -0.518 0.000 2.447 2248 I HA 0.324 4.498 4.170 0.008 0.000 0.287 2248 I C -0.049 175.842 176.117 -0.376 0.000 1.023 2248 I CA -0.553 60.384 61.300 -0.604 0.000 1.083 2248 I CB 1.439 38.978 38.000 -0.768 0.000 1.245 2248 I HN 0.697 nan 8.210 nan 0.000 0.434 2249 N N 6.077 124.607 118.700 -0.283 0.000 2.365 2249 N HA 0.077 4.821 4.740 0.008 0.000 0.265 2249 N C 1.047 176.392 175.510 -0.275 0.000 1.288 2249 N CA 0.013 52.933 53.050 -0.218 0.000 0.869 2249 N CB 0.965 39.363 38.487 -0.149 0.000 1.071 2249 N HN 0.604 nan 8.380 nan 0.000 0.480 2250 I N 1.564 121.976 120.570 -0.262 0.000 3.001 2250 I HA -0.165 4.009 4.170 0.008 0.000 0.268 2250 I C 1.414 177.370 176.117 -0.269 0.000 1.267 2250 I CA 0.615 61.723 61.300 -0.320 0.000 1.472 2250 I CB -0.200 37.560 38.000 -0.401 0.000 1.089 2250 I HN 0.542 nan 8.210 nan 0.000 0.468 2251 N N 0.366 118.950 118.700 -0.194 0.000 2.409 2251 N HA -0.042 4.703 4.740 0.008 0.000 0.174 2251 N C 0.908 176.335 175.510 -0.138 0.000 1.037 2251 N CA 0.811 53.780 53.050 -0.136 0.000 0.898 2251 N CB 0.305 38.744 38.487 -0.080 0.000 1.010 2251 N HN 0.360 nan 8.380 nan 0.000 0.445 2252 D N -1.387 118.906 120.400 -0.179 0.000 2.949 2252 D HA 0.311 4.956 4.640 0.008 0.000 0.247 2252 D C 1.271 177.369 176.300 -0.336 0.000 1.552 2252 D CA 0.982 54.888 54.000 -0.157 0.000 1.231 2252 D CB -0.082 40.665 40.800 -0.089 0.000 0.990 2252 D HN 0.206 nan 8.370 nan 0.000 0.270 2253 G N -0.437 108.149 108.800 -0.356 0.000 3.732 2253 G HA2 -0.103 3.862 3.960 0.008 0.000 0.220 2253 G HA3 -0.103 3.862 3.960 0.008 0.000 0.220 2253 G C -0.158 174.693 174.900 -0.081 0.000 0.903 2253 G CA -0.433 44.316 45.100 -0.586 0.000 0.896 2253 G HN 0.062 nan 8.290 nan 0.000 0.685 2254 Q N 0.349 120.134 119.800 -0.025 0.000 2.373 2254 Q HA 0.421 4.765 4.340 0.008 0.000 0.255 2254 Q C -0.555 175.510 176.000 0.109 0.000 0.980 2254 Q CA 0.021 55.892 55.803 0.114 0.000 0.882 2254 Q CB 0.931 29.699 28.738 0.049 0.000 1.249 2254 Q HN 0.182 nan 8.270 nan 0.000 0.438 2255 F N 0.262 120.167 119.950 -0.076 0.000 2.410 2255 F HA 0.218 4.749 4.527 0.007 0.000 0.348 2255 F C 1.084 176.841 175.800 -0.071 0.000 1.106 2255 F CA -0.571 57.377 58.000 -0.086 0.000 1.163 2255 F CB 0.918 39.871 39.000 -0.078 0.000 1.129 2255 F HN 0.687 nan 8.300 nan 0.000 0.516 2256 A N 2.142 124.967 122.820 0.008 0.000 2.208 2256 A HA 0.069 4.394 4.320 0.008 0.000 0.209 2256 A C 0.523 178.119 177.584 0.021 0.000 1.161 2256 A CA 0.855 52.889 52.037 -0.005 0.000 0.782 2256 A CB -0.703 18.264 19.000 -0.055 0.000 0.816 2256 A HN 0.777 nan 8.150 nan 0.000 0.477 2257 D N -2.804 117.633 120.400 0.062 0.000 2.752 2257 D HA 0.278 4.923 4.640 0.008 0.000 0.313 2257 D C -0.282 176.070 176.300 0.087 0.000 1.225 2257 D CA 0.317 54.349 54.000 0.053 0.000 0.976 2257 D CB 0.729 41.546 40.800 0.029 0.000 1.443 2257 D HN 0.125 nan 8.370 nan 0.000 0.515 2258 S N -0.961 114.772 115.700 0.055 0.000 2.843 2258 S HA 0.172 4.646 4.470 0.008 0.000 0.249 2258 S C 0.310 174.957 174.600 0.079 0.000 1.047 2258 S CA -0.719 57.512 58.200 0.052 0.000 1.042 2258 S CB -0.041 63.166 63.200 0.012 0.000 0.936 2258 S HN 0.493 nan 8.310 nan 0.000 0.531 2259 R N 1.600 122.149 120.500 0.082 0.000 2.267 2259 R HA 0.516 4.861 4.340 0.008 0.000 0.319 2259 R C -0.734 175.656 176.300 0.150 0.000 1.067 2259 R CA -0.163 55.991 56.100 0.090 0.000 0.936 2259 R CB 1.033 31.364 30.300 0.052 0.000 1.006 2259 R HN 0.313 nan 8.270 nan 0.000 0.452 2260 V N 4.178 124.216 119.914 0.207 0.000 2.495 2260 V HA 0.803 4.927 4.120 0.008 0.000 0.298 2260 V C -1.096 175.169 176.094 0.286 0.000 1.031 2260 V CA 0.199 62.660 62.300 0.267 0.000 0.871 2260 V CB 1.706 33.716 31.823 0.313 0.000 0.988 2260 V HN 1.042 nan 8.190 nan 0.000 0.432 2261 S N 4.455 120.350 115.700 0.325 0.000 2.627 2261 S HA 0.428 4.902 4.470 0.008 0.000 0.268 2261 S C -1.244 173.633 174.600 0.462 0.000 1.130 2261 S CA -0.545 57.882 58.200 0.378 0.000 0.819 2261 S CB 0.861 64.219 63.200 0.264 0.000 1.100 2261 S HN 0.829 nan 8.310 nan 0.000 0.465 2262 W N 1.686 123.099 121.300 0.188 0.000 3.123 2262 W HA 0.465 5.129 4.660 0.007 0.000 0.383 2262 W C 0.460 177.145 176.519 0.276 0.000 1.102 2262 W CA -0.625 56.884 57.345 0.273 0.000 1.865 2262 W CB -0.349 29.242 29.460 0.218 0.000 1.111 2262 W HN 0.539 nan 8.180 nan 0.000 0.621 2263 N N 0.029 118.940 118.700 0.353 0.000 2.366 2263 N HA 0.272 5.017 4.740 0.008 0.000 0.277 2263 N C 0.733 176.335 175.510 0.153 0.000 1.275 2263 N CA 0.089 53.269 53.050 0.216 0.000 0.964 2263 N CB -0.092 38.466 38.487 0.119 0.000 1.167 2263 N HN -0.038 nan 8.380 nan 0.000 0.568 2264 G N -1.961 106.893 108.800 0.090 0.000 2.391 2264 G HA2 0.326 4.291 3.960 0.008 0.000 0.234 2264 G HA3 0.326 4.291 3.960 0.008 0.000 0.234 2264 G C 1.003 175.903 174.900 -0.001 0.000 1.284 2264 G CA 0.414 45.535 45.100 0.036 0.000 0.873 2264 G HN 0.794 nan 8.290 nan 0.000 0.549 2265 G N 1.677 110.435 108.800 -0.069 0.000 2.258 2265 G HA2 -0.260 3.705 3.960 0.008 0.000 0.233 2265 G HA3 -0.260 3.705 3.960 0.008 0.000 0.233 2265 G C 0.769 175.605 174.900 -0.107 0.000 1.006 2265 G CA 0.938 45.972 45.100 -0.111 0.000 0.620 2265 G HN 0.643 nan 8.290 nan 0.000 0.511 2266 D N 0.571 120.957 120.400 -0.024 0.000 2.766 2266 D HA 0.154 4.798 4.640 0.008 0.000 0.284 2266 D C 2.022 178.359 176.300 0.062 0.000 1.050 2266 D CA 0.904 54.925 54.000 0.035 0.000 0.945 2266 D CB -0.366 40.533 40.800 0.164 0.000 1.272 2266 D HN 0.380 nan 8.370 nan 0.000 0.482 2267 D N 1.850 122.308 120.400 0.096 0.000 2.984 2267 D HA -0.301 4.343 4.640 0.008 0.000 0.266 2267 D C 1.639 177.810 176.300 -0.215 0.000 1.083 2267 D CA 3.008 57.030 54.000 0.038 0.000 0.985 2267 D CB -1.278 39.480 40.800 -0.070 0.000 1.137 2267 D HN 0.257 nan 8.370 nan 0.000 0.495 2268 S N -1.012 114.471 115.700 -0.361 0.000 2.537 2268 S HA -0.112 4.362 4.470 0.008 0.000 0.240 2268 S C 1.802 176.234 174.600 -0.279 0.000 0.981 2268 S CA 0.769 58.728 58.200 -0.400 0.000 0.948 2268 S CB -0.971 61.995 63.200 -0.391 0.000 0.759 2268 S HN 0.436 nan 8.310 nan 0.000 0.531 2269 F N 2.235 121.995 119.950 -0.316 0.000 2.113 2269 F HA 0.011 4.542 4.527 0.008 0.000 0.297 2269 F C 1.841 177.492 175.800 -0.249 0.000 1.103 2269 F CA 0.708 58.510 58.000 -0.329 0.000 1.248 2269 F CB -0.751 37.959 39.000 -0.483 0.000 0.999 2269 F HN 0.149 nan 8.300 nan 0.000 0.475 2270 Y N 0.617 120.607 120.300 -0.517 0.000 2.293 2270 Y HA -0.128 4.426 4.550 0.007 0.000 0.291 2270 Y C 2.655 178.475 175.900 -0.135 0.000 1.137 2270 Y CA 1.489 59.254 58.100 -0.558 0.000 1.202 2270 Y CB -0.751 37.267 38.460 -0.737 0.000 0.990 2270 Y HN 0.236 nan 8.280 nan 0.000 0.537 2271 E N -0.224 120.055 120.200 0.131 0.000 2.038 2271 E HA -0.249 4.105 4.350 0.008 0.000 0.195 2271 E C 1.573 178.340 176.600 0.279 0.000 1.000 2271 E CA 1.464 58.036 56.400 0.287 0.000 0.803 2271 E CB -0.290 29.509 29.700 0.164 0.000 0.750 2271 E HN 0.451 nan 8.360 nan 0.000 0.448 2272 Y N 0.206 120.488 120.300 -0.029 0.000 2.421 2272 Y HA -0.129 4.425 4.550 0.007 0.000 0.292 2272 Y C 2.053 177.946 175.900 -0.013 0.000 1.136 2272 Y CA 0.321 58.413 58.100 -0.012 0.000 1.255 2272 Y CB -0.394 38.075 38.460 0.015 0.000 0.991 2272 Y HN 0.138 nan 8.280 nan 0.000 0.552 2273 L N -0.413 120.854 121.223 0.073 0.000 1.956 2273 L HA -0.251 4.093 4.340 0.008 0.000 0.216 2273 L C 2.411 179.323 176.870 0.070 0.000 1.073 2273 L CA 1.659 56.553 54.840 0.091 0.000 0.762 2273 L CB -1.267 40.838 42.059 0.075 0.000 0.889 2273 L HN 0.181 nan 8.230 nan 0.000 0.433 2274 I N -1.020 119.423 120.570 -0.212 0.000 2.353 2274 I HA -0.235 3.940 4.170 0.008 0.000 0.248 2274 I C 2.342 178.383 176.117 -0.126 0.000 1.119 2274 I CA 1.452 62.496 61.300 -0.426 0.000 1.417 2274 I CB -0.325 36.901 38.000 -1.291 0.000 1.078 2274 I HN 0.191 nan 8.210 nan 0.000 0.421 2275 K N -0.576 119.779 120.400 -0.076 0.000 2.148 2275 K HA -0.124 4.200 4.320 0.008 0.000 0.204 2275 K C 2.004 178.576 176.600 -0.047 0.000 1.050 2275 K CA 1.171 57.443 56.287 -0.025 0.000 0.942 2275 K CB -0.160 32.330 32.500 -0.017 0.000 0.724 2275 K HN 0.270 nan 8.250 nan 0.000 0.446 2276 M N -0.346 119.196 119.600 -0.096 0.000 2.117 2276 M HA -0.170 4.314 4.480 0.008 0.000 0.262 2276 M C 2.031 178.306 176.300 -0.041 0.000 1.065 2276 M CA 1.488 56.623 55.300 -0.274 0.000 1.114 2276 M CB -0.818 31.445 32.600 -0.561 0.000 1.361 2276 M HN 0.130 nan 8.290 nan 0.000 0.408 2277 Y N 0.801 121.084 120.300 -0.027 0.000 2.207 2277 Y HA -0.183 4.371 4.550 0.007 0.000 0.287 2277 Y C 2.187 178.120 175.900 0.056 0.000 1.156 2277 Y CA 1.382 59.526 58.100 0.073 0.000 1.182 2277 Y CB -0.359 38.123 38.460 0.037 0.000 0.979 2277 Y HN -0.042 nan 8.280 nan 0.000 0.521 2278 V N -0.648 119.290 119.914 0.040 0.000 2.453 2278 V HA -0.267 3.857 4.120 0.008 0.000 0.247 2278 V C 1.977 178.053 176.094 -0.031 0.000 1.048 2278 V CA 1.908 64.191 62.300 -0.028 0.000 1.049 2278 V CB -1.053 30.806 31.823 0.059 0.000 0.672 2278 V HN 0.532 nan 8.190 nan 0.000 0.457 2279 Y N 1.214 121.464 120.300 -0.082 0.000 2.181 2279 Y HA -0.119 4.435 4.550 0.007 0.000 0.288 2279 Y C 1.049 176.938 175.900 -0.018 0.000 1.146 2279 Y CA 1.888 59.946 58.100 -0.071 0.000 1.164 2279 Y CB 0.320 38.703 38.460 -0.128 0.000 0.982 2279 Y HN 0.377 nan 8.280 nan 0.000 0.515 2280 D N -1.155 119.231 120.400 -0.023 0.000 2.362 2280 D HA 0.141 4.786 4.640 0.008 0.000 0.232 2280 D C -2.291 173.963 176.300 -0.077 0.000 1.329 2280 D CA -1.586 52.349 54.000 -0.108 0.000 0.944 2280 D CB 1.084 41.831 40.800 -0.089 0.000 1.471 2280 D HN -0.013 nan 8.370 nan 0.000 0.533 2281 P HA -0.214 nan 4.420 nan 0.000 0.217 2281 P C 1.334 178.547 177.300 -0.145 0.000 1.148 2281 P CA 0.945 63.760 63.100 -0.475 0.000 0.828 2281 P CB 0.661 31.957 31.700 -0.674 0.000 0.783 2282 K N 0.829 121.126 120.400 -0.172 0.000 1.969 2282 K HA -0.145 4.180 4.320 0.008 0.000 0.216 2282 K C 2.369 178.835 176.600 -0.224 0.000 1.048 2282 K CA 1.516 57.711 56.287 -0.153 0.000 0.948 2282 K CB -0.323 32.077 32.500 -0.166 0.000 0.726 2282 K HN -0.107 nan 8.250 nan 0.000 0.442 2283 R N -0.790 119.446 120.500 -0.440 0.000 2.193 2283 R HA -0.085 4.260 4.340 0.008 0.000 0.229 2283 R C 0.629 176.342 176.300 -0.978 0.000 1.110 2283 R CA 1.117 56.723 56.100 -0.822 0.000 0.988 2283 R CB -0.058 29.444 30.300 -1.329 0.000 0.871 2283 R HN 0.268 nan 8.270 nan 0.000 0.458 2284 F N -0.616 119.311 119.950 -0.039 0.000 2.881 2284 F HA 0.238 4.769 4.527 0.008 0.000 0.343 2284 F C 1.369 177.311 175.800 0.235 0.000 1.233 2284 F CA -0.549 57.431 58.000 -0.034 0.000 1.262 2284 F CB 0.372 39.189 39.000 -0.305 0.000 0.980 2284 F HN -0.075 nan 8.300 nan 0.000 0.506 2285 E N 0.281 120.679 120.200 0.330 0.000 2.204 2285 E HA -0.134 4.220 4.350 0.008 0.000 0.194 2285 E C 1.642 178.401 176.600 0.266 0.000 0.989 2285 E CA 1.459 58.068 56.400 0.348 0.000 0.824 2285 E CB 0.257 30.104 29.700 0.244 0.000 0.756 2285 E HN 0.323 nan 8.360 nan 0.000 0.477 2286 T N 0.108 114.844 114.554 0.303 0.000 2.788 2286 T HA -0.161 4.194 4.350 0.008 0.000 0.268 2286 T C 1.177 176.092 174.700 0.357 0.000 1.044 2286 T CA 1.158 63.434 62.100 0.293 0.000 1.139 2286 T CB -0.287 68.760 68.868 0.298 0.000 0.867 2286 T HN 0.277 nan 8.240 nan 0.000 0.454 2287 Y N 1.592 122.016 120.300 0.208 0.000 2.200 2287 Y HA 0.001 4.556 4.550 0.008 0.000 0.290 2287 Y C 2.463 178.443 175.900 0.134 0.000 1.137 2287 Y CA 0.519 58.725 58.100 0.177 0.000 1.163 2287 Y CB -0.433 38.145 38.460 0.196 0.000 0.988 2287 Y HN 0.100 nan 8.280 nan 0.000 0.518 2288 K N 0.428 120.971 120.400 0.240 0.000 2.057 2288 K HA -0.209 4.116 4.320 0.008 0.000 0.207 2288 K C 1.329 177.998 176.600 0.115 0.000 1.049 2288 K CA 1.985 58.266 56.287 -0.010 0.000 0.931 2288 K CB -0.256 31.865 32.500 -0.632 0.000 0.714 2288 K HN 0.224 nan 8.250 nan 0.000 0.440 2289 D N 0.678 121.145 120.400 0.112 0.000 2.097 2289 D HA -0.140 4.505 4.640 0.008 0.000 0.195 2289 D C 2.099 178.478 176.300 0.133 0.000 0.989 2289 D CA 0.914 54.985 54.000 0.118 0.000 0.827 2289 D CB -0.092 40.771 40.800 0.105 0.000 0.966 2289 D HN 0.184 nan 8.370 nan 0.000 0.456 2290 R N -0.255 120.328 120.500 0.138 0.000 2.120 2290 R HA -0.132 4.213 4.340 0.008 0.000 0.234 2290 R C 2.144 178.516 176.300 0.121 0.000 1.123 2290 R CA 0.444 56.612 56.100 0.114 0.000 0.975 2290 R CB -0.940 29.414 30.300 0.091 0.000 0.866 2290 R HN 0.381 nan 8.270 nan 0.000 0.446 2291 W N 1.062 122.353 121.300 -0.015 0.000 2.381 2291 W HA -0.138 4.527 4.660 0.008 0.000 0.301 2291 W C 1.817 178.289 176.519 -0.078 0.000 1.205 2291 W CA 0.934 58.243 57.345 -0.060 0.000 1.285 2291 W CB -0.109 29.293 29.460 -0.097 0.000 1.133 2291 W HN -0.228 nan 8.180 nan 0.000 0.521 2292 V N 1.041 121.015 119.914 0.101 0.000 2.594 2292 V HA -0.285 3.840 4.120 0.008 0.000 0.253 2292 V C 2.061 178.105 176.094 -0.084 0.000 1.069 2292 V CA 1.310 63.614 62.300 0.007 0.000 1.082 2292 V CB -0.861 31.121 31.823 0.265 0.000 0.680 2292 V HN 0.111 nan 8.190 nan 0.000 0.469 2293 L N 0.294 121.491 121.223 -0.043 0.000 2.109 2293 L HA 0.048 4.392 4.340 0.008 0.000 0.207 2293 L C 2.577 179.413 176.870 -0.057 0.000 1.086 2293 L CA 2.060 56.896 54.840 -0.007 0.000 0.760 2293 L CB -1.477 40.607 42.059 0.042 0.000 0.910 2293 L HN 0.273 nan 8.230 nan 0.000 0.437 2294 A N -0.500 122.235 122.820 -0.142 0.000 1.897 2294 A HA -0.024 4.301 4.320 0.008 0.000 0.215 2294 A C 2.518 179.952 177.584 -0.251 0.000 1.181 2294 A CA 1.443 53.399 52.037 -0.135 0.000 0.620 2294 A CB -0.870 18.049 19.000 -0.136 0.000 0.821 2294 A HN 0.332 nan 8.150 nan 0.000 0.443 2295 A N 0.064 122.478 122.820 -0.676 0.000 1.892 2295 A HA -0.243 4.082 4.320 0.008 0.000 0.218 2295 A C 1.943 179.404 177.584 -0.205 0.000 1.188 2295 A CA 1.896 53.455 52.037 -0.797 0.000 0.631 2295 A CB -0.596 17.242 19.000 -1.936 0.000 0.822 2295 A HN 0.649 nan 8.150 nan 0.000 0.447 2296 E N -0.492 119.641 120.200 -0.111 0.000 2.072 2296 E HA -0.080 4.275 4.350 0.008 0.000 0.190 2296 E C 2.303 178.873 176.600 -0.050 0.000 0.982 2296 E CA 1.147 57.558 56.400 0.018 0.000 0.803 2296 E CB -0.132 29.619 29.700 0.086 0.000 0.755 2296 E HN 0.568 nan 8.360 nan 0.000 0.453 2297 S N 0.361 116.053 115.700 -0.013 0.000 2.402 2297 S HA -0.108 4.367 4.470 0.008 0.000 0.229 2297 S C 2.062 176.638 174.600 -0.041 0.000 1.021 2297 S CA 1.204 59.431 58.200 0.045 0.000 0.974 2297 S CB -0.201 63.065 63.200 0.111 0.000 0.800 2297 S HN 0.273 nan 8.310 nan 0.000 0.484 2298 T N 2.787 117.308 114.554 -0.055 0.000 2.643 2298 T HA 0.012 4.366 4.350 0.008 0.000 0.264 2298 T C 1.753 176.299 174.700 -0.257 0.000 1.045 2298 T CA 1.194 63.245 62.100 -0.082 0.000 1.155 2298 T CB -0.447 68.429 68.868 0.014 0.000 0.863 2298 T HN 0.312 nan 8.240 nan 0.000 0.420 2299 I N 0.860 121.146 120.570 -0.473 0.000 2.264 2299 I HA -0.191 3.984 4.170 0.008 0.000 0.248 2299 I C 2.528 178.375 176.117 -0.451 0.000 1.111 2299 I CA 1.213 62.034 61.300 -0.798 0.000 1.382 2299 I CB -0.259 37.198 38.000 -0.905 0.000 1.060 2299 I HN 0.124 nan 8.210 nan 0.000 0.418 2300 K N 0.186 120.355 120.400 -0.385 0.000 2.155 2300 K HA -0.119 4.205 4.320 0.008 0.000 0.203 2300 K C 1.560 177.723 176.600 -0.729 0.000 1.052 2300 K CA 1.748 57.727 56.287 -0.514 0.000 0.948 2300 K CB -0.027 32.145 32.500 -0.547 0.000 0.728 2300 K HN 0.458 nan 8.250 nan 0.000 0.448 2301 H N -1.904 116.980 119.070 -0.309 0.000 2.735 2301 H HA 0.287 4.847 4.556 0.008 0.000 0.250 2301 H C 1.276 176.592 175.328 -0.020 0.000 0.948 2301 H CA 0.451 56.321 56.048 -0.297 0.000 1.137 2301 H CB 0.364 29.574 29.762 -0.919 0.000 1.440 2301 H HN -0.087 nan 8.280 nan 0.000 0.444 2302 L N 0.664 121.922 121.223 0.058 0.000 2.240 2302 L HA 0.041 4.386 4.340 0.008 0.000 0.211 2302 L C 1.086 178.029 176.870 0.122 0.000 1.106 2302 L CA 0.331 55.272 54.840 0.167 0.000 0.793 2302 L CB -0.178 41.929 42.059 0.080 0.000 0.927 2302 L HN 0.109 nan 8.230 nan 0.000 0.446 2303 K N 1.270 121.682 120.400 0.020 0.000 2.559 2303 K HA -0.003 4.321 4.320 0.008 0.000 0.279 2303 K C -0.131 176.458 176.600 -0.019 0.000 0.967 2303 K CA 0.437 56.725 56.287 0.001 0.000 1.000 2303 K CB 0.456 32.941 32.500 -0.025 0.000 0.890 2303 K HN 0.038 nan 8.250 nan 0.000 0.501 2304 S N 2.143 117.753 115.700 -0.150 0.000 2.542 2304 S HA 0.331 4.805 4.470 0.008 0.000 0.276 2304 S C -2.106 172.291 174.600 -0.338 0.000 1.148 2304 S CA -0.904 57.253 58.200 -0.072 0.000 0.886 2304 S CB 0.617 63.940 63.200 0.206 0.000 1.109 2304 S HN 0.708 nan 8.310 nan 0.000 0.458 2305 H N 1.815 120.853 119.070 -0.055 0.000 2.572 2305 H HA 0.639 5.200 4.556 0.007 0.000 0.359 2305 H C -2.709 172.606 175.328 -0.020 0.000 1.134 2305 H CA -1.534 54.433 56.048 -0.135 0.000 1.187 2305 H CB 1.352 31.054 29.762 -0.099 0.000 1.597 2305 H HN 0.343 nan 8.280 nan 0.000 0.524 2306 P HA 0.199 nan 4.420 nan 0.000 0.288 2306 P C 0.336 177.781 177.300 0.241 0.000 1.267 2306 P CA -0.800 62.464 63.100 0.273 0.000 0.815 2306 P CB 1.568 33.460 31.700 0.321 0.000 0.989 2307 K N 0.936 121.535 120.400 0.331 0.000 2.034 2307 K HA -0.210 4.115 4.320 0.008 0.000 0.214 2307 K C 1.954 178.653 176.600 0.165 0.000 1.051 2307 K CA 2.484 58.920 56.287 0.249 0.000 0.931 2307 K CB -0.815 31.864 32.500 0.298 0.000 0.715 2307 K HN 0.590 nan 8.250 nan 0.000 0.446 2308 S N 0.638 116.436 115.700 0.163 0.000 2.382 2308 S HA -0.107 4.367 4.470 0.008 0.000 0.228 2308 S C 1.086 175.602 174.600 -0.140 0.000 1.027 2308 S CA 0.706 58.831 58.200 -0.126 0.000 0.991 2308 S CB -0.013 62.772 63.200 -0.691 0.000 0.823 2308 S HN 0.147 nan 8.310 nan 0.000 0.469 2309 R N 1.424 121.853 120.500 -0.118 0.000 2.564 2309 R HA 0.328 4.673 4.340 0.008 0.000 0.282 2309 R C -2.665 173.588 176.300 -0.077 0.000 1.573 2309 R CA -1.754 54.274 56.100 -0.119 0.000 1.588 2309 R CB 0.876 31.075 30.300 -0.168 0.000 1.154 2309 R HN 0.312 nan 8.270 nan 0.000 0.606 2310 P HA -0.132 nan 4.420 nan 0.000 0.225 2310 P C 0.568 177.843 177.300 -0.042 0.000 1.148 2310 P CA 1.028 64.100 63.100 -0.046 0.000 0.779 2310 P CB 0.223 31.871 31.700 -0.086 0.000 0.780 2311 D N -1.191 119.171 120.400 -0.063 0.000 2.338 2311 D HA -0.024 4.620 4.640 0.008 0.000 0.239 2311 D C 0.277 176.525 176.300 -0.087 0.000 1.095 2311 D CA 0.391 54.356 54.000 -0.058 0.000 0.888 2311 D CB -0.257 40.504 40.800 -0.064 0.000 0.899 2311 D HN 0.211 nan 8.370 nan 0.000 0.525 2312 L N -0.205 120.936 121.223 -0.138 0.000 2.354 2312 L HA 0.457 4.802 4.340 0.008 0.000 0.269 2312 L C -0.383 176.213 176.870 -0.456 0.000 1.005 2312 L CA -0.607 54.034 54.840 -0.332 0.000 0.819 2312 L CB 2.459 44.231 42.059 -0.479 0.000 1.311 2312 L HN -0.257 nan 8.230 nan 0.000 0.423 2313 T N 1.487 115.665 114.554 -0.627 0.000 2.861 2313 T HA 0.656 5.011 4.350 0.008 0.000 0.287 2313 T C -0.852 173.445 174.700 -0.673 0.000 1.003 2313 T CA -0.421 61.259 62.100 -0.701 0.000 0.977 2313 T CB 1.287 69.804 68.868 -0.585 0.000 0.996 2313 T HN 0.203 nan 8.240 nan 0.000 0.448 2314 F N 1.061 120.693 119.950 -0.530 0.000 2.588 2314 F HA 0.575 5.106 4.527 0.007 0.000 0.314 2314 F C -0.330 175.251 175.800 -0.364 0.000 1.069 2314 F CA -1.510 56.174 58.000 -0.527 0.000 0.931 2314 F CB 1.715 40.108 39.000 -1.013 0.000 1.260 2314 F HN 0.137 nan 8.300 nan 0.000 0.465 2315 L N 1.472 122.686 121.223 -0.015 0.000 2.357 2315 L HA 0.504 4.848 4.340 0.008 0.000 0.273 2315 L C -0.241 176.787 176.870 0.263 0.000 1.080 2315 L CA -0.299 54.558 54.840 0.029 0.000 0.803 2315 L CB 1.727 43.709 42.059 -0.128 0.000 1.174 2315 L HN 0.617 nan 8.230 nan 0.000 0.443 2316 S N 0.170 116.067 115.700 0.329 0.000 2.759 2316 S HA 0.572 5.046 4.470 0.008 0.000 0.310 2316 S C -0.572 174.215 174.600 0.311 0.000 1.123 2316 S CA -0.651 57.807 58.200 0.431 0.000 0.959 2316 S CB 2.039 65.567 63.200 0.547 0.000 1.172 2316 S HN 0.576 nan 8.310 nan 0.000 0.539 2317 S N 0.053 115.905 115.700 0.254 0.000 2.621 2317 S HA 0.670 5.144 4.470 0.008 0.000 0.302 2317 S C -1.681 173.013 174.600 0.157 0.000 1.093 2317 S CA -0.474 57.846 58.200 0.201 0.000 1.017 2317 S CB 1.018 64.294 63.200 0.126 0.000 1.077 2317 S HN 0.580 nan 8.310 nan 0.000 0.517 2318 Y N 0.903 121.190 120.300 -0.020 0.000 2.442 2318 Y HA 0.626 5.181 4.550 0.007 0.000 0.344 2318 Y C -0.539 175.317 175.900 -0.074 0.000 0.976 2318 Y CA -0.287 57.714 58.100 -0.166 0.000 1.040 2318 Y CB 1.800 40.162 38.460 -0.163 0.000 1.228 2318 Y HN 0.577 nan 8.280 nan 0.000 0.451 2319 S N 5.627 120.938 115.700 -0.648 0.000 2.626 2319 S HA 0.303 4.777 4.470 0.008 0.000 0.275 2319 S C -1.797 172.495 174.600 -0.513 0.000 1.175 2319 S CA -0.850 57.119 58.200 -0.385 0.000 0.982 2319 S CB 0.146 63.239 63.200 -0.179 0.000 1.093 2319 S HN 0.855 nan 8.310 nan 0.000 0.472 2320 N N 3.302 121.796 118.700 -0.344 0.000 2.676 2320 N HA -0.191 4.553 4.740 0.008 0.000 0.290 2320 N C 0.278 175.620 175.510 -0.281 0.000 1.109 2320 N CA 1.131 54.048 53.050 -0.221 0.000 0.779 2320 N CB -0.524 37.892 38.487 -0.118 0.000 0.947 2320 N HN 0.807 nan 8.380 nan 0.000 0.566 2321 R N -2.377 117.910 120.500 -0.354 0.000 3.994 2321 R HA -0.222 4.123 4.340 0.008 0.000 0.403 2321 R C -0.512 175.674 176.300 -0.189 0.000 1.126 2321 R CA 1.413 57.427 56.100 -0.143 0.000 1.143 2321 R CB -1.742 28.564 30.300 0.009 0.000 1.695 2321 R HN 0.671 nan 8.270 nan 0.000 0.555 2322 N N -0.706 117.708 118.700 -0.478 0.000 2.295 2322 N HA 0.384 5.128 4.740 0.008 0.000 0.293 2322 N C -1.558 173.802 175.510 -0.250 0.000 1.040 2322 N CA -0.557 52.377 53.050 -0.194 0.000 0.840 2322 N CB 0.789 39.208 38.487 -0.114 0.000 1.468 2322 N HN 0.023 nan 8.380 nan 0.000 0.478 2323 Y N 0.620 120.921 120.300 0.001 0.000 2.367 2323 Y HA 0.213 4.768 4.550 0.007 0.000 0.342 2323 Y C 0.064 175.982 175.900 0.030 0.000 0.979 2323 Y CA -0.690 57.469 58.100 0.098 0.000 1.161 2323 Y CB 0.825 39.405 38.460 0.200 0.000 1.155 2323 Y HN 0.409 nan 8.280 nan 0.000 0.503 2324 D N 3.693 124.157 120.400 0.105 0.000 2.347 2324 D HA 0.168 4.813 4.640 0.008 0.000 0.235 2324 D C -0.729 175.512 176.300 -0.098 0.000 1.149 2324 D CA -0.304 53.686 54.000 -0.016 0.000 0.850 2324 D CB 0.881 41.656 40.800 -0.041 0.000 1.061 2324 D HN 0.351 nan 8.370 nan 0.000 0.487 2325 L N 3.647 124.680 121.223 -0.317 0.000 2.727 2325 L HA 0.217 4.562 4.340 0.008 0.000 0.237 2325 L C 0.227 175.920 176.870 -1.962 0.000 1.370 2325 L CA -0.140 54.127 54.840 -0.955 0.000 1.248 2325 L CB -0.919 40.566 42.059 -0.956 0.000 1.556 2325 L HN 0.327 nan 8.230 nan 0.000 0.420 2326 S N -2.527 112.478 115.700 -1.160 0.000 2.569 2326 S HA 0.895 5.370 4.470 0.008 0.000 0.280 2326 S C -0.378 173.965 174.600 -0.427 0.000 1.111 2326 S CA -0.665 57.011 58.200 -0.874 0.000 0.887 2326 S CB 2.668 65.602 63.200 -0.443 0.000 1.095 2326 S HN 0.077 nan 8.310 nan 0.000 0.476 2327 S N 0.177 115.558 115.700 -0.531 0.000 2.840 2327 S HA 0.683 5.158 4.470 0.008 0.000 0.307 2327 S C -1.797 172.287 174.600 -0.859 0.000 1.180 2327 S CA -0.673 57.161 58.200 -0.611 0.000 0.846 2327 S CB 1.651 64.463 63.200 -0.647 0.000 1.233 2327 S HN 0.866 nan 8.310 nan 0.000 0.548 2328 Q N -0.098 119.299 119.800 -0.672 0.000 2.484 2328 Q HA 0.412 4.756 4.340 0.008 0.000 0.285 2328 Q C 0.037 175.987 176.000 -0.084 0.000 1.097 2328 Q CA -0.900 54.697 55.803 -0.344 0.000 0.802 2328 Q CB 1.007 29.706 28.738 -0.064 0.000 1.444 2328 Q HN 0.788 nan 8.270 nan 0.000 0.429 2329 H N 1.118 120.281 119.070 0.155 0.000 2.353 2329 H HA -0.018 4.542 4.556 0.007 0.000 0.300 2329 H C 1.530 176.988 175.328 0.217 0.000 1.090 2329 H CA 1.730 57.974 56.048 0.327 0.000 1.327 2329 H CB 0.284 30.233 29.762 0.312 0.000 1.383 2329 H HN 0.627 nan 8.280 nan 0.000 0.508 2330 L N 0.260 121.695 121.223 0.354 0.000 2.051 2330 L HA -0.220 4.124 4.340 0.008 0.000 0.214 2330 L C 2.541 179.627 176.870 0.360 0.000 1.076 2330 L CA 2.017 57.028 54.840 0.285 0.000 0.758 2330 L CB -0.578 41.586 42.059 0.174 0.000 0.890 2330 L HN 0.302 nan 8.230 nan 0.000 0.433 2331 T N -1.804 112.930 114.554 0.300 0.000 2.929 2331 T HA -0.186 4.168 4.350 0.008 0.000 0.271 2331 T C 1.698 176.561 174.700 0.270 0.000 1.085 2331 T CA 1.073 63.395 62.100 0.370 0.000 1.125 2331 T CB -0.519 68.449 68.868 0.166 0.000 0.874 2331 T HN 0.425 nan 8.240 nan 0.000 0.494 2332 c N 2.174 120.887 118.600 0.189 0.000 2.460 2332 c HA 0.025 4.599 4.570 0.008 0.000 0.291 2332 c C 2.198 176.312 174.090 0.040 0.000 1.493 2332 c CA -0.345 56.015 56.329 0.052 0.000 1.748 2332 c CB -2.389 40.089 42.510 -0.053 0.000 1.656 2332 c HN 0.788 nan 8.230 nan 0.000 0.576 2333 F N 2.927 122.947 119.950 0.116 0.000 2.502 2333 F HA -0.025 4.506 4.527 0.007 0.000 0.298 2333 F C 1.758 177.676 175.800 0.197 0.000 1.111 2333 F CA 1.193 59.278 58.000 0.142 0.000 1.445 2333 F CB -0.794 38.316 39.000 0.183 0.000 1.081 2333 F HN 0.247 nan 8.300 nan 0.000 0.558 2334 D N 1.107 120.921 120.400 -0.976 0.000 2.116 2334 D HA -0.204 4.440 4.640 0.008 0.000 0.193 2334 D C 2.355 178.538 176.300 -0.196 0.000 0.998 2334 D CA 1.676 55.243 54.000 -0.722 0.000 0.836 2334 D CB -1.498 39.015 40.800 -0.478 0.000 0.951 2334 D HN 0.353 nan 8.370 nan 0.000 0.449 2335 G N 0.233 108.936 108.800 -0.162 0.000 2.469 2335 G HA2 -0.202 3.763 3.960 0.008 0.000 0.219 2335 G HA3 -0.202 3.763 3.960 0.008 0.000 0.219 2335 G C 1.765 176.664 174.900 -0.002 0.000 1.150 2335 G CA 1.182 46.237 45.100 -0.075 0.000 0.763 2335 G HN 0.544 nan 8.290 nan 0.000 0.561 2336 G N -0.087 108.689 108.800 -0.039 0.000 2.443 2336 G HA2 -0.092 3.873 3.960 0.008 0.000 0.219 2336 G HA3 -0.092 3.873 3.960 0.008 0.000 0.219 2336 G C 2.016 176.728 174.900 -0.314 0.000 1.131 2336 G CA 1.449 46.466 45.100 -0.140 0.000 0.775 2336 G HN 0.507 nan 8.290 nan 0.000 0.547 2337 S N -0.417 115.235 115.700 -0.079 0.000 2.362 2337 S HA 0.030 4.505 4.470 0.008 0.000 0.221 2337 S C 2.036 176.680 174.600 0.074 0.000 1.032 2337 S CA 0.568 58.774 58.200 0.010 0.000 0.973 2337 S CB -0.380 62.973 63.200 0.255 0.000 0.849 2337 S HN 0.294 nan 8.310 nan 0.000 0.465 2338 F N 1.519 121.572 119.950 0.172 0.000 2.202 2338 F HA 0.010 4.542 4.527 0.007 0.000 0.301 2338 F C 1.955 177.857 175.800 0.170 0.000 1.082 2338 F CA 1.036 59.190 58.000 0.257 0.000 1.313 2338 F CB -0.170 38.923 39.000 0.155 0.000 1.024 2338 F HN 0.204 nan 8.300 nan 0.000 0.495 2339 L N -0.986 120.349 121.223 0.187 0.000 2.156 2339 L HA -0.178 4.167 4.340 0.008 0.000 0.208 2339 L C 2.329 179.204 176.870 0.007 0.000 1.095 2339 L CA 0.630 55.520 54.840 0.083 0.000 0.770 2339 L CB -0.411 41.651 42.059 0.006 0.000 0.914 2339 L HN 0.203 nan 8.230 nan 0.000 0.439 2340 L N -0.633 120.509 121.223 -0.135 0.000 2.044 2340 L HA -0.075 4.270 4.340 0.008 0.000 0.205 2340 L C 2.434 179.227 176.870 -0.128 0.000 1.075 2340 L CA 1.520 56.264 54.840 -0.161 0.000 0.747 2340 L CB -0.606 41.277 42.059 -0.293 0.000 0.903 2340 L HN 0.312 nan 8.230 nan 0.000 0.435 2341 G N -1.010 107.634 108.800 -0.260 0.000 2.408 2341 G HA2 -0.188 3.777 3.960 0.008 0.000 0.217 2341 G HA3 -0.188 3.777 3.960 0.008 0.000 0.217 2341 G C 1.456 176.441 174.900 0.142 0.000 1.150 2341 G CA 0.627 45.507 45.100 -0.367 0.000 0.776 2341 G HN 0.528 nan 8.290 nan 0.000 0.542 2342 G N 0.001 108.984 108.800 0.306 0.000 2.480 2342 G HA2 -0.247 3.717 3.960 0.008 0.000 0.216 2342 G HA3 -0.247 3.717 3.960 0.008 0.000 0.216 2342 G C 1.837 176.855 174.900 0.197 0.000 1.200 2342 G CA 1.901 47.220 45.100 0.365 0.000 0.782 2342 G HN 0.436 nan 8.290 nan 0.000 0.554 2343 T N -0.273 114.358 114.554 0.128 0.000 2.821 2343 T HA -0.059 4.295 4.350 0.008 0.000 0.267 2343 T C 2.482 177.236 174.700 0.090 0.000 1.046 2343 T CA 1.531 63.685 62.100 0.090 0.000 1.139 2343 T CB -0.221 68.686 68.868 0.066 0.000 0.871 2343 T HN -0.006 nan 8.240 nan 0.000 0.454 2344 V N 1.217 121.186 119.914 0.091 0.000 2.358 2344 V HA 0.027 4.152 4.120 0.008 0.000 0.246 2344 V C 2.314 178.495 176.094 0.144 0.000 1.047 2344 V CA 1.484 63.850 62.300 0.110 0.000 1.035 2344 V CB -0.374 31.512 31.823 0.105 0.000 0.658 2344 V HN 0.500 nan 8.190 nan 0.000 0.452 2345 L N -0.237 121.077 121.223 0.152 0.000 2.611 2345 L HA 0.230 4.574 4.340 0.008 0.000 0.229 2345 L C 0.752 177.701 176.870 0.131 0.000 1.137 2345 L CA 0.219 55.157 54.840 0.164 0.000 0.901 2345 L CB -0.471 41.721 42.059 0.222 0.000 1.098 2345 L HN 0.396 nan 8.230 nan 0.000 0.456 2346 D N 1.951 122.419 120.400 0.113 0.000 2.697 2346 D HA -0.207 4.437 4.640 0.008 0.000 0.235 2346 D C 0.004 176.334 176.300 0.051 0.000 1.167 2346 D CA 0.521 54.566 54.000 0.075 0.000 0.656 2346 D CB -0.097 40.735 40.800 0.054 0.000 1.025 2346 D HN 0.075 nan 8.370 nan 0.000 0.419 2347 R N 1.317 121.860 120.500 0.071 0.000 2.423 2347 R HA 0.155 4.499 4.340 0.008 0.000 0.293 2347 R C 1.104 177.401 176.300 -0.005 0.000 1.196 2347 R CA -0.527 55.544 56.100 -0.048 0.000 1.262 2347 R CB 1.212 31.379 30.300 -0.221 0.000 1.116 2347 R HN 0.270 nan 8.270 nan 0.000 0.566 2348 Q N 1.984 121.778 119.800 -0.010 0.000 2.197 2348 Q HA -0.211 4.133 4.340 0.008 0.000 0.207 2348 Q C 1.178 177.194 176.000 0.027 0.000 0.984 2348 Q CA 2.356 58.171 55.803 0.020 0.000 0.869 2348 Q CB 0.161 28.900 28.738 0.001 0.000 0.906 2348 Q HN 0.556 nan 8.270 nan 0.000 0.426 2349 D N -1.276 119.093 120.400 -0.052 0.000 2.219 2349 D HA -0.174 4.471 4.640 0.008 0.000 0.205 2349 D C 1.251 177.636 176.300 0.141 0.000 0.970 2349 D CA 0.819 54.798 54.000 -0.036 0.000 0.851 2349 D CB -0.547 40.158 40.800 -0.158 0.000 0.943 2349 D HN 0.297 nan 8.370 nan 0.000 0.488 2350 F N 1.015 121.073 119.950 0.180 0.000 2.234 2350 F HA 0.198 4.729 4.527 0.007 0.000 0.296 2350 F C 2.503 178.483 175.800 0.299 0.000 1.089 2350 F CA -0.410 57.798 58.000 0.346 0.000 1.343 2350 F CB -0.633 38.652 39.000 0.474 0.000 1.040 2350 F HN -0.075 nan 8.300 nan 0.000 0.498 2351 I N -0.016 120.776 120.570 0.369 0.000 2.226 2351 I HA -0.293 3.882 4.170 0.008 0.000 0.245 2351 I C 1.970 178.166 176.117 0.133 0.000 1.100 2351 I CA 1.453 62.882 61.300 0.215 0.000 1.374 2351 I CB -0.423 37.656 38.000 0.132 0.000 1.057 2351 I HN 0.037 nan 8.210 nan 0.000 0.413 2352 D N 0.459 120.931 120.400 0.121 0.000 2.178 2352 D HA -0.198 4.447 4.640 0.008 0.000 0.202 2352 D C 1.899 178.232 176.300 0.054 0.000 0.974 2352 D CA 1.261 55.303 54.000 0.070 0.000 0.841 2352 D CB -0.252 40.584 40.800 0.061 0.000 0.953 2352 D HN 0.275 nan 8.370 nan 0.000 0.478 2353 F N 1.422 121.314 119.950 -0.097 0.000 2.456 2353 F HA 0.121 4.652 4.527 0.008 0.000 0.298 2353 F C 2.114 177.696 175.800 -0.362 0.000 1.104 2353 F CA 0.903 58.733 58.000 -0.282 0.000 1.435 2353 F CB -0.026 38.706 39.000 -0.446 0.000 1.078 2353 F HN -0.101 nan 8.300 nan 0.000 0.546 2354 G N 0.345 109.033 108.800 -0.186 0.000 2.408 2354 G HA2 -0.115 3.849 3.960 0.008 0.000 0.215 2354 G HA3 -0.115 3.849 3.960 0.008 0.000 0.215 2354 G C 1.673 176.458 174.900 -0.191 0.000 1.156 2354 G CA 0.662 45.658 45.100 -0.173 0.000 0.793 2354 G HN 0.389 nan 8.290 nan 0.000 0.535 2355 L N 0.230 121.377 121.223 -0.128 0.000 2.201 2355 L HA 0.034 4.378 4.340 0.008 0.000 0.212 2355 L C 2.714 179.530 176.870 -0.091 0.000 1.105 2355 L CA 0.835 55.620 54.840 -0.091 0.000 0.775 2355 L CB -0.293 41.743 42.059 -0.039 0.000 0.913 2355 L HN 0.256 nan 8.230 nan 0.000 0.440 2356 E N 0.247 120.327 120.200 -0.200 0.000 2.152 2356 E HA -0.149 4.206 4.350 0.008 0.000 0.192 2356 E C 2.309 178.715 176.600 -0.324 0.000 0.983 2356 E CA 0.866 57.121 56.400 -0.242 0.000 0.818 2356 E CB -0.003 29.518 29.700 -0.298 0.000 0.758 2356 E HN 0.493 nan 8.360 nan 0.000 0.467 2357 L N 0.311 121.265 121.223 -0.449 0.000 2.131 2357 L HA -0.105 4.240 4.340 0.008 0.000 0.206 2357 L C 2.442 179.230 176.870 -0.138 0.000 1.087 2357 L CA 0.335 54.947 54.840 -0.379 0.000 0.767 2357 L CB -0.271 41.469 42.059 -0.532 0.000 0.917 2357 L HN 0.022 nan 8.230 nan 0.000 0.441 2358 V N 0.329 120.205 119.914 -0.064 0.000 2.233 2358 V HA -0.329 3.796 4.120 0.008 0.000 0.247 2358 V C 2.207 178.446 176.094 0.242 0.000 1.050 2358 V CA 2.155 64.541 62.300 0.143 0.000 1.010 2358 V CB -0.439 31.496 31.823 0.186 0.000 0.637 2358 V HN 0.466 nan 8.190 nan 0.000 0.444 2359 D N 0.407 120.919 120.400 0.187 0.000 2.116 2359 D HA -0.167 4.477 4.640 0.008 0.000 0.193 2359 D C 2.146 178.439 176.300 -0.012 0.000 0.998 2359 D CA 1.773 55.862 54.000 0.149 0.000 0.836 2359 D CB -0.817 40.044 40.800 0.100 0.000 0.951 2359 D HN 0.503 nan 8.370 nan 0.000 0.449 2360 G N 0.312 109.063 108.800 -0.081 0.000 2.440 2360 G HA2 -0.291 3.674 3.960 0.008 0.000 0.218 2360 G HA3 -0.291 3.674 3.960 0.008 0.000 0.218 2360 G C 1.925 176.894 174.900 0.116 0.000 1.154 2360 G CA 1.106 46.128 45.100 -0.130 0.000 0.767 2360 G HN 0.341 nan 8.290 nan 0.000 0.552 2361 c N 0.025 118.683 118.600 0.096 0.000 2.457 2361 c HA 0.097 4.671 4.570 0.008 0.000 0.278 2361 c C 2.672 176.746 174.090 -0.028 0.000 1.309 2361 c CA 0.960 57.290 56.329 0.001 0.000 1.735 2361 c CB -0.294 42.172 42.510 -0.074 0.000 1.992 2361 c HN 0.634 nan 8.230 nan 0.000 0.493 2362 E N 1.881 122.113 120.200 0.054 0.000 2.265 2362 E HA -0.093 4.261 4.350 0.008 0.000 0.196 2362 E C 1.883 178.383 176.600 -0.166 0.000 0.996 2362 E CA 1.532 57.898 56.400 -0.057 0.000 0.832 2362 E CB -0.236 29.105 29.700 -0.599 0.000 0.756 2362 E HN 0.550 nan 8.360 nan 0.000 0.491 2363 A N -0.103 122.644 122.820 -0.122 0.000 1.897 2363 A HA -0.106 4.219 4.320 0.008 0.000 0.215 2363 A C 2.434 180.020 177.584 0.004 0.000 1.181 2363 A CA 1.918 53.907 52.037 -0.080 0.000 0.620 2363 A CB -1.191 17.763 19.000 -0.076 0.000 0.821 2363 A HN 0.475 nan 8.150 nan 0.000 0.443 2364 T N -3.776 110.688 114.554 -0.149 0.000 2.915 2364 T HA -0.138 4.216 4.350 0.008 0.000 0.269 2364 T C 1.707 176.391 174.700 -0.027 0.000 1.071 2364 T CA 1.424 63.318 62.100 -0.343 0.000 1.132 2364 T CB -0.470 67.720 68.868 -1.129 0.000 0.878 2364 T HN 0.365 nan 8.240 nan 0.000 0.479 2365 Y N 3.794 124.010 120.300 -0.140 0.000 2.138 2365 Y HA 0.068 4.622 4.550 0.007 0.000 0.286 2365 Y C 2.431 178.307 175.900 -0.040 0.000 1.115 2365 Y CA 1.465 59.522 58.100 -0.072 0.000 1.105 2365 Y CB -0.605 37.825 38.460 -0.050 0.000 1.004 2365 Y HN 0.451 nan 8.280 nan 0.000 0.494 2366 N N -1.081 117.665 118.700 0.076 0.000 2.567 2366 N HA -0.053 4.692 4.740 0.008 0.000 0.195 2366 N C 0.661 176.190 175.510 0.031 0.000 1.242 2366 N CA 0.951 54.008 53.050 0.011 0.000 0.884 2366 N CB -0.375 38.064 38.487 -0.080 0.000 1.007 2366 N HN -0.014 nan 8.380 nan 0.000 0.450 2367 S N -1.142 114.613 115.700 0.092 0.000 2.540 2367 S HA 0.062 4.537 4.470 0.008 0.000 0.218 2367 S C 0.561 175.323 174.600 0.269 0.000 0.977 2367 S CA 0.026 58.305 58.200 0.131 0.000 0.918 2367 S CB -0.041 63.219 63.200 0.100 0.000 0.806 2367 S HN 0.692 nan 8.310 nan 0.000 0.496 2368 T N -1.044 113.616 114.554 0.176 0.000 2.944 2368 T HA 0.513 4.867 4.350 0.008 0.000 0.284 2368 T C 1.073 175.802 174.700 0.047 0.000 1.010 2368 T CA -0.755 61.415 62.100 0.118 0.000 1.025 2368 T CB 1.013 69.907 68.868 0.043 0.000 1.079 2368 T HN 0.029 nan 8.240 nan 0.000 0.516 2369 L N 1.184 122.414 121.223 0.012 0.000 2.042 2369 L HA -0.077 4.268 4.340 0.008 0.000 0.210 2369 L C 2.727 179.589 176.870 -0.013 0.000 1.076 2369 L CA 2.246 57.084 54.840 -0.002 0.000 0.749 2369 L CB -0.589 41.459 42.059 -0.019 0.000 0.893 2369 L HN 1.072 nan 8.230 nan 0.000 0.432 2370 T N -4.896 109.639 114.554 -0.032 0.000 3.081 2370 T HA 0.015 4.369 4.350 0.008 0.000 0.255 2370 T C 0.890 175.550 174.700 -0.067 0.000 1.113 2370 T CA 0.295 62.364 62.100 -0.050 0.000 1.082 2370 T CB 0.163 68.990 68.868 -0.067 0.000 0.939 2370 T HN 0.213 nan 8.240 nan 0.000 0.506 2371 K N 0.137 120.500 120.400 -0.062 0.000 3.263 2371 K HA -0.045 4.280 4.320 0.008 0.000 0.277 2371 K C -0.835 175.681 176.600 -0.139 0.000 1.207 2371 K CA 0.481 56.738 56.287 -0.049 0.000 0.818 2371 K CB -2.376 30.120 32.500 -0.007 0.000 1.313 2371 K HN 0.691 nan 8.250 nan 0.000 0.512 2372 I N -0.376 119.990 120.570 -0.340 0.000 2.582 2372 I HA 0.441 4.616 4.170 0.008 0.000 0.292 2372 I C 1.025 176.643 176.117 -0.832 0.000 1.066 2372 I CA -1.117 59.708 61.300 -0.791 0.000 1.053 2372 I CB 2.246 39.852 38.000 -0.655 0.000 1.241 2372 I HN 0.158 nan 8.210 nan 0.000 0.421 2373 G N 4.911 112.836 108.800 -1.458 0.000 2.507 2373 G HA2 0.529 4.493 3.960 0.008 0.000 0.271 2373 G HA3 0.529 4.493 3.960 0.008 0.000 0.271 2373 G C -2.634 172.220 174.900 -0.077 0.000 1.189 2373 G CA -1.004 43.758 45.100 -0.563 0.000 0.859 2373 G HN 0.326 nan 8.290 nan 0.000 0.542 2374 P HA 0.153 nan 4.420 nan 0.000 0.276 2374 P C -0.161 177.384 177.300 0.409 0.000 1.244 2374 P CA -0.219 63.028 63.100 0.245 0.000 0.801 2374 P CB 1.907 33.780 31.700 0.288 0.000 1.006 2375 D N 0.321 120.921 120.400 0.334 0.000 2.219 2375 D HA -0.059 4.585 4.640 0.008 0.000 0.205 2375 D C 0.124 176.595 176.300 0.285 0.000 0.970 2375 D CA 1.048 55.228 54.000 0.298 0.000 0.851 2375 D CB 0.171 41.076 40.800 0.175 0.000 0.943 2375 D HN 0.449 nan 8.370 nan 0.000 0.488 2376 S N -1.536 114.347 115.700 0.305 0.000 2.542 2376 S HA 0.562 5.037 4.470 0.008 0.000 0.276 2376 S C -1.369 173.410 174.600 0.299 0.000 1.148 2376 S CA -1.162 57.119 58.200 0.135 0.000 0.886 2376 S CB 0.327 63.548 63.200 0.036 0.000 1.109 2376 S HN 0.324 nan 8.310 nan 0.000 0.458 2377 W N 0.886 122.183 121.300 -0.005 0.000 3.062 2377 W HA 0.919 5.583 4.660 0.008 0.000 0.336 2377 W C -0.364 176.086 176.519 -0.115 0.000 1.224 2377 W CA -0.788 56.554 57.345 -0.005 0.000 1.159 2377 W CB 0.663 30.077 29.460 -0.077 0.000 1.454 2377 W HN 0.991 nan 8.180 nan 0.000 0.569 2378 G N -0.185 108.493 108.800 -0.203 0.000 2.685 2378 G HA2 0.626 4.591 3.960 0.008 0.000 0.298 2378 G HA3 0.626 4.591 3.960 0.008 0.000 0.298 2378 G C -1.662 172.923 174.900 -0.525 0.000 1.277 2378 G CA -0.633 44.015 45.100 -0.754 0.000 0.986 2378 G HN 1.283 nan 8.290 nan 0.000 0.487 2379 W N -0.665 120.514 121.300 -0.202 0.000 1.213 2379 W HA 0.330 4.994 4.660 0.008 0.000 0.194 2379 W C -0.578 176.138 176.519 0.328 0.000 0.748 2379 W CA -0.736 56.762 57.345 0.255 0.000 0.971 2379 W CB -0.117 29.619 29.460 0.459 0.000 0.862 2379 W HN 0.448 nan 8.180 nan 0.000 0.427 2380 D N 3.017 123.500 120.400 0.139 0.000 2.401 2380 D HA 0.117 4.762 4.640 0.008 0.000 0.254 2380 D C -1.199 175.181 176.300 0.133 0.000 1.192 2380 D CA -1.718 52.339 54.000 0.094 0.000 0.885 2380 D CB 1.791 42.601 40.800 0.016 0.000 1.147 2380 D HN -0.122 nan 8.370 nan 0.000 0.478 2381 P HA -0.107 nan 4.420 nan 0.000 0.219 2381 P C 0.281 177.555 177.300 -0.044 0.000 1.146 2381 P CA 1.303 64.398 63.100 -0.008 0.000 0.808 2381 P CB 0.208 31.940 31.700 0.053 0.000 0.779 2382 K N -0.604 119.784 120.400 -0.021 0.000 2.520 2382 K HA 0.144 4.469 4.320 0.008 0.000 0.205 2382 K C 0.522 177.081 176.600 -0.069 0.000 1.035 2382 K CA 0.296 56.562 56.287 -0.036 0.000 1.188 2382 K CB 0.190 32.683 32.500 -0.012 0.000 0.894 2382 K HN 0.139 nan 8.250 nan 0.000 0.497 2383 K N 0.578 120.906 120.400 -0.120 0.000 2.684 2383 K HA 0.131 4.456 4.320 0.008 0.000 0.189 2383 K C -0.770 175.514 176.600 -0.525 0.000 1.154 2383 K CA -0.130 56.030 56.287 -0.212 0.000 1.109 2383 K CB 1.597 34.035 32.500 -0.104 0.000 0.826 2383 K HN -0.146 nan 8.250 nan 0.000 0.501 2384 V N 3.502 123.139 119.914 -0.461 0.000 2.405 2384 V HA 0.143 4.267 4.120 0.008 0.000 0.264 2384 V C -2.192 173.705 176.094 -0.329 0.000 1.048 2384 V CA -1.669 60.290 62.300 -0.568 0.000 0.966 2384 V CB 0.134 31.723 31.823 -0.389 0.000 1.015 2384 V HN 0.090 nan 8.190 nan 0.000 0.477 2385 P HA -0.001 nan 4.420 nan 0.000 0.259 2385 P C 0.866 178.131 177.300 -0.058 0.000 1.163 2385 P CA 0.502 63.520 63.100 -0.137 0.000 0.760 2385 P CB 0.445 32.099 31.700 -0.076 0.000 0.762 2386 S N 1.653 117.326 115.700 -0.044 0.000 2.537 2386 S HA -0.124 4.350 4.470 0.008 0.000 0.240 2386 S C 1.081 175.685 174.600 0.007 0.000 0.981 2386 S CA 1.323 59.514 58.200 -0.015 0.000 0.948 2386 S CB -0.474 62.716 63.200 -0.016 0.000 0.759 2386 S HN 0.666 nan 8.310 nan 0.000 0.531 2387 D N -0.145 120.261 120.400 0.009 0.000 2.407 2387 D HA 0.047 4.691 4.640 0.008 0.000 0.208 2387 D C 1.167 177.492 176.300 0.041 0.000 1.083 2387 D CA 0.088 54.100 54.000 0.020 0.000 0.844 2387 D CB -0.224 40.581 40.800 0.009 0.000 0.967 2387 D HN 0.331 nan 8.370 nan 0.000 0.506 2388 Q N 0.002 119.841 119.800 0.065 0.000 2.164 2388 Q HA 0.161 4.505 4.340 0.008 0.000 0.226 2388 Q C 1.632 177.751 176.000 0.199 0.000 0.813 2388 Q CA -0.204 55.680 55.803 0.135 0.000 0.978 2388 Q CB 0.493 29.327 28.738 0.161 0.000 1.149 2388 Q HN 0.086 nan 8.270 nan 0.000 0.489 2389 K N 1.087 121.568 120.400 0.134 0.000 2.107 2389 K HA -0.266 4.059 4.320 0.008 0.000 0.211 2389 K C 1.177 177.896 176.600 0.198 0.000 1.049 2389 K CA 2.144 58.527 56.287 0.159 0.000 0.927 2389 K CB 0.118 32.674 32.500 0.093 0.000 0.714 2389 K HN 0.302 nan 8.250 nan 0.000 0.452 2390 E N -0.456 119.835 120.200 0.152 0.000 2.077 2390 E HA -0.199 4.156 4.350 0.008 0.000 0.193 2390 E C 1.921 178.605 176.600 0.140 0.000 0.989 2390 E CA 1.253 57.727 56.400 0.123 0.000 0.800 2390 E CB -0.257 29.502 29.700 0.099 0.000 0.746 2390 E HN 0.313 nan 8.360 nan 0.000 0.452 2391 F N 1.198 121.159 119.950 0.019 0.000 2.051 2391 F HA -0.277 4.255 4.527 0.007 0.000 0.296 2391 F C 2.340 178.097 175.800 -0.071 0.000 1.122 2391 F CA 1.612 59.587 58.000 -0.042 0.000 1.201 2391 F CB -0.770 38.203 39.000 -0.044 0.000 0.978 2391 F HN 0.024 nan 8.300 nan 0.000 0.472 2392 Y N 1.378 121.658 120.300 -0.034 0.000 2.069 2392 Y HA -0.341 4.213 4.550 0.008 0.000 0.278 2392 Y C 2.384 178.207 175.900 -0.127 0.000 1.175 2392 Y CA 2.437 60.483 58.100 -0.090 0.000 1.134 2392 Y CB -1.044 37.498 38.460 0.137 0.000 0.965 2392 Y HN 0.204 nan 8.280 nan 0.000 0.498 2393 E N 0.310 120.355 120.200 -0.258 0.000 2.108 2393 E HA -0.268 4.087 4.350 0.008 0.000 0.203 2393 E C 2.144 178.527 176.600 -0.363 0.000 1.022 2393 E CA 2.664 58.878 56.400 -0.311 0.000 0.823 2393 E CB -0.224 29.443 29.700 -0.055 0.000 0.744 2393 E HN 0.790 nan 8.360 nan 0.000 0.456 2394 K N -1.144 119.060 120.400 -0.328 0.000 2.102 2394 K HA 0.263 4.588 4.320 0.008 0.000 0.206 2394 K C 2.363 178.731 176.600 -0.386 0.000 1.031 2394 K CA 0.697 56.807 56.287 -0.294 0.000 0.962 2394 K CB -0.486 31.896 32.500 -0.197 0.000 0.811 2394 K HN 0.050 nan 8.250 nan 0.000 0.453 2395 A N 1.262 123.727 122.820 -0.592 0.000 1.873 2395 A HA 0.011 4.335 4.320 0.008 0.000 0.218 2395 A C 1.965 179.297 177.584 -0.419 0.000 1.193 2395 A CA 2.378 54.032 52.037 -0.639 0.000 0.629 2395 A CB -1.246 16.916 19.000 -1.398 0.000 0.826 2395 A HN 0.840 nan 8.150 nan 0.000 0.447 2396 G N -3.218 105.267 108.800 -0.525 0.000 2.164 2396 G HA2 0.127 4.092 3.960 0.008 0.000 0.154 2396 G HA3 0.127 4.092 3.960 0.008 0.000 0.154 2396 G C 0.047 175.049 174.900 0.170 0.000 1.014 2396 G CA 0.185 45.114 45.100 -0.284 0.000 0.683 2396 G HN 1.803 nan 8.290 nan 0.000 0.500 2397 F N -1.624 118.420 119.950 0.157 0.000 2.926 2397 F HA 0.709 5.241 4.527 0.007 0.000 0.321 2397 F C -1.401 174.745 175.800 0.576 0.000 1.168 2397 F CA -2.481 55.838 58.000 0.531 0.000 0.890 2397 F CB 0.534 39.790 39.000 0.427 0.000 1.357 2397 F HN 0.581 nan 8.300 nan 0.000 0.468 2398 Y N 1.065 121.824 120.300 0.765 0.000 2.326 2398 Y HA 0.746 5.300 4.550 0.008 0.000 0.329 2398 Y C -0.554 175.777 175.900 0.717 0.000 0.973 2398 Y CA -1.986 56.462 58.100 0.582 0.000 1.162 2398 Y CB 0.575 39.266 38.460 0.386 0.000 1.147 2398 Y HN 0.732 nan 8.280 nan 0.000 0.456 2399 I N 3.055 124.094 120.570 0.780 0.000 2.919 2399 I HA -0.160 4.014 4.170 0.008 0.000 0.303 2399 I C 1.128 177.536 176.117 0.486 0.000 1.221 2399 I CA 0.982 62.658 61.300 0.627 0.000 1.444 2399 I CB 0.993 39.231 38.000 0.396 0.000 1.331 2399 I HN 0.948 nan 8.210 nan 0.000 0.572 2400 S N 3.251 119.193 115.700 0.403 0.000 2.524 2400 S HA 0.127 4.602 4.470 0.008 0.000 0.222 2400 S C 0.363 175.096 174.600 0.221 0.000 1.040 2400 S CA 0.082 58.461 58.200 0.299 0.000 0.915 2400 S CB 0.301 63.630 63.200 0.216 0.000 0.831 2400 S HN 0.692 nan 8.310 nan 0.000 0.492 2401 S N -0.760 115.080 115.700 0.233 0.000 2.592 2401 S HA 0.540 5.014 4.470 0.008 0.000 0.275 2401 S C 0.057 174.779 174.600 0.204 0.000 1.169 2401 S CA -0.136 58.177 58.200 0.187 0.000 0.958 2401 S CB 1.095 64.393 63.200 0.162 0.000 1.095 2401 S HN 0.323 nan 8.310 nan 0.000 0.471 2402 G N 2.180 111.079 108.800 0.166 0.000 3.314 2402 G HA2 0.262 4.226 3.960 0.008 0.000 0.238 2402 G HA3 0.262 4.226 3.960 0.008 0.000 0.238 2402 G C 0.173 175.169 174.900 0.160 0.000 1.184 2402 G CA -0.148 45.043 45.100 0.152 0.000 0.806 2402 G HN 0.603 nan 8.290 nan 0.000 0.536 2403 S N -0.423 115.384 115.700 0.179 0.000 2.617 2403 S HA 0.489 4.964 4.470 0.008 0.000 0.269 2403 S C -1.162 173.541 174.600 0.171 0.000 1.292 2403 S CA -0.226 58.087 58.200 0.188 0.000 1.010 2403 S CB 1.259 64.579 63.200 0.201 0.000 0.944 2403 S HN 0.314 nan 8.310 nan 0.000 0.536 2404 Y N 1.597 121.888 120.300 -0.016 0.000 2.333 2404 Y HA 0.404 4.958 4.550 0.008 0.000 0.324 2404 Y C -0.164 175.650 175.900 -0.143 0.000 1.033 2404 Y CA -1.086 56.970 58.100 -0.073 0.000 1.224 2404 Y CB 0.699 39.128 38.460 -0.053 0.000 1.120 2404 Y HN 0.374 nan 8.280 nan 0.000 0.457 2405 V N 4.333 123.820 119.914 -0.712 0.000 3.140 2405 V HA 0.244 4.368 4.120 0.008 0.000 0.379 2405 V C 0.548 176.290 176.094 -0.588 0.000 1.296 2405 V CA -0.079 61.862 62.300 -0.597 0.000 1.351 2405 V CB -1.107 30.509 31.823 -0.344 0.000 1.311 2405 V HN 0.927 nan 8.190 nan 0.000 0.508 2406 L N -1.448 119.089 121.223 -1.144 0.000 3.865 2406 L HA -0.192 4.152 4.340 0.008 0.000 0.408 2406 L C 0.938 177.722 176.870 -0.143 0.000 1.209 2406 L CA 0.497 55.007 54.840 -0.551 0.000 0.940 2406 L CB -1.634 40.336 42.059 -0.148 0.000 1.971 2406 L HN 0.561 nan 8.230 nan 0.000 0.899 2407 R N 1.584 121.823 120.500 -0.434 0.000 2.615 2407 R HA 0.272 4.616 4.340 0.008 0.000 0.270 2407 R C -1.353 175.032 176.300 0.142 0.000 1.081 2407 R CA -0.809 55.178 56.100 -0.188 0.000 1.154 2407 R CB 0.589 30.599 30.300 -0.482 0.000 1.063 2407 R HN 0.015 nan 8.270 nan 0.000 0.519 2408 P HA 0.187 nan 4.420 nan 0.000 0.300 2408 P C -0.341 177.113 177.300 0.258 0.000 1.349 2408 P CA 0.078 63.341 63.100 0.272 0.000 1.054 2408 P CB 0.736 32.584 31.700 0.247 0.000 1.548 2409 E N 0.268 120.648 120.200 0.301 0.000 2.160 2409 E HA -0.108 4.246 4.350 0.008 0.000 0.195 2409 E C 1.924 178.507 176.600 -0.029 0.000 0.991 2409 E CA 1.195 57.709 56.400 0.191 0.000 0.810 2409 E CB -1.009 28.857 29.700 0.277 0.000 0.742 2409 E HN 0.082 nan 8.360 nan 0.000 0.466 2410 V N 0.545 120.345 119.914 -0.189 0.000 2.346 2410 V HA -0.147 3.977 4.120 0.008 0.000 0.244 2410 V C 2.100 177.698 176.094 -0.827 0.000 1.037 2410 V CA 1.224 63.125 62.300 -0.664 0.000 1.029 2410 V CB -0.326 30.906 31.823 -0.984 0.000 0.663 2410 V HN 0.258 nan 8.190 nan 0.000 0.454 2411 I N 0.333 120.673 120.570 -0.382 0.000 2.454 2411 I HA -0.248 3.927 4.170 0.008 0.000 0.254 2411 I C 2.548 178.602 176.117 -0.106 0.000 1.156 2411 I CA 1.695 62.926 61.300 -0.115 0.000 1.433 2411 I CB -0.257 37.827 38.000 0.140 0.000 1.082 2411 I HN 0.483 nan 8.210 nan 0.000 0.432 2412 E N 1.007 121.071 120.200 -0.227 0.000 2.028 2412 E HA -0.197 4.158 4.350 0.008 0.000 0.191 2412 E C 2.224 178.765 176.600 -0.099 0.000 0.988 2412 E CA 1.670 57.781 56.400 -0.482 0.000 0.799 2412 E CB 0.079 29.579 29.700 -0.333 0.000 0.755 2412 E HN 0.313 nan 8.360 nan 0.000 0.447 2413 S N -0.073 115.617 115.700 -0.018 0.000 2.423 2413 S HA -0.055 4.420 4.470 0.008 0.000 0.231 2413 S C 1.550 176.274 174.600 0.207 0.000 1.014 2413 S CA 0.700 58.965 58.200 0.109 0.000 0.965 2413 S CB -0.304 62.895 63.200 -0.003 0.000 0.785 2413 S HN 0.325 nan 8.310 nan 0.000 0.495 2414 F N -0.132 119.853 119.950 0.059 0.000 2.186 2414 F HA -0.147 4.384 4.527 0.008 0.000 0.299 2414 F C 2.311 178.170 175.800 0.098 0.000 1.090 2414 F CA 0.987 59.051 58.000 0.106 0.000 1.307 2414 F CB -0.298 38.808 39.000 0.178 0.000 1.019 2414 F HN 0.269 nan 8.300 nan 0.000 0.489 2415 Y N -0.218 120.164 120.300 0.135 0.000 2.242 2415 Y HA -0.298 4.257 4.550 0.007 0.000 0.291 2415 Y C 2.102 177.985 175.900 -0.027 0.000 1.137 2415 Y CA 1.539 59.639 58.100 -0.000 0.000 1.181 2415 Y CB -0.765 37.575 38.460 -0.200 0.000 0.989 2415 Y HN 0.001 nan 8.280 nan 0.000 0.527 2416 Y N -0.271 119.924 120.300 -0.174 0.000 2.242 2416 Y HA -0.150 4.405 4.550 0.008 0.000 0.291 2416 Y C 2.651 178.412 175.900 -0.231 0.000 1.137 2416 Y CA 0.958 58.905 58.100 -0.255 0.000 1.181 2416 Y CB -0.558 37.849 38.460 -0.090 0.000 0.989 2416 Y HN 0.262 nan 8.280 nan 0.000 0.527 2417 A N -0.611 122.182 122.820 -0.046 0.000 1.940 2417 A HA -0.278 4.047 4.320 0.008 0.000 0.219 2417 A C 2.069 179.493 177.584 -0.266 0.000 1.176 2417 A CA 2.080 53.920 52.037 -0.327 0.000 0.631 2417 A CB -0.958 17.620 19.000 -0.703 0.000 0.814 2417 A HN 0.644 nan 8.150 nan 0.000 0.446 2418 H N -1.124 117.845 119.070 -0.168 0.000 2.448 2418 H HA 0.055 4.616 4.556 0.008 0.000 0.292 2418 H C 1.832 177.083 175.328 -0.128 0.000 1.035 2418 H CA 0.754 56.771 56.048 -0.051 0.000 1.349 2418 H CB 0.075 29.820 29.762 -0.028 0.000 1.425 2418 H HN 0.275 nan 8.280 nan 0.000 0.539 2419 R N 0.390 120.674 120.500 -0.360 0.000 2.153 2419 R HA -0.008 4.337 4.340 0.008 0.000 0.218 2419 R C 2.243 178.410 176.300 -0.223 0.000 1.072 2419 R CA 0.564 56.441 56.100 -0.373 0.000 0.990 2419 R CB -0.329 29.714 30.300 -0.427 0.000 0.889 2419 R HN 0.241 nan 8.270 nan 0.000 0.452 2420 V N 0.535 120.359 119.914 -0.150 0.000 2.575 2420 V HA -0.107 4.017 4.120 0.008 0.000 0.242 2420 V C 2.438 178.485 176.094 -0.077 0.000 1.045 2420 V CA 2.043 64.297 62.300 -0.076 0.000 1.065 2420 V CB -0.289 31.521 31.823 -0.022 0.000 0.717 2420 V HN 0.426 nan 8.190 nan 0.000 0.467 2421 T N -2.659 111.847 114.554 -0.080 0.000 3.009 2421 T HA 0.208 4.563 4.350 0.008 0.000 0.258 2421 T C 1.756 176.428 174.700 -0.047 0.000 1.063 2421 T CA 1.401 63.489 62.100 -0.020 0.000 1.139 2421 T CB 0.411 69.332 68.868 0.088 0.000 0.890 2421 T HN 0.944 nan 8.240 nan 0.000 0.471 2422 G N 1.551 110.268 108.800 -0.137 0.000 2.225 2422 G HA2 -0.238 3.726 3.960 0.008 0.000 0.254 2422 G HA3 -0.238 3.726 3.960 0.008 0.000 0.254 2422 G C 0.170 175.035 174.900 -0.059 0.000 0.988 2422 G CA 0.136 45.110 45.100 -0.210 0.000 0.625 2422 G HN 0.632 nan 8.290 nan 0.000 0.527 2423 K N 0.635 121.060 120.400 0.041 0.000 2.448 2423 K HA 0.208 4.532 4.320 0.008 0.000 0.278 2423 K C 1.116 177.713 176.600 -0.006 0.000 1.009 2423 K CA 0.030 56.301 56.287 -0.026 0.000 0.995 2423 K CB 1.174 33.596 32.500 -0.130 0.000 0.917 2423 K HN 0.280 nan 8.250 nan 0.000 0.481 2424 E N 2.496 122.629 120.200 -0.112 0.000 2.358 2424 E HA -0.048 4.306 4.350 0.008 0.000 0.195 2424 E C 1.491 177.898 176.600 -0.322 0.000 1.010 2424 E CA 0.391 56.708 56.400 -0.138 0.000 0.856 2424 E CB -0.063 29.566 29.700 -0.119 0.000 0.795 2424 E HN 0.618 nan 8.360 nan 0.000 0.504 2425 I N -0.271 119.965 120.570 -0.557 0.000 2.567 2425 I HA -0.285 3.890 4.170 0.008 0.000 0.257 2425 I C 1.038 176.493 176.117 -1.103 0.000 1.184 2425 I CA 1.102 61.903 61.300 -0.833 0.000 1.451 2425 I CB 0.017 37.400 38.000 -1.029 0.000 1.089 2425 I HN 0.226 nan 8.210 nan 0.000 0.441 2426 Y N 0.331 120.277 120.300 -0.591 0.000 2.286 2426 Y HA -0.163 4.391 4.550 0.008 0.000 0.293 2426 Y C 2.702 178.431 175.900 -0.284 0.000 1.124 2426 Y CA 1.022 58.825 58.100 -0.496 0.000 1.178 2426 Y CB -0.320 38.007 38.460 -0.221 0.000 1.010 2426 Y HN 0.105 nan 8.280 nan 0.000 0.536 2427 R N 0.807 121.170 120.500 -0.229 0.000 2.115 2427 R HA -0.150 4.195 4.340 0.008 0.000 0.230 2427 R C 1.215 177.507 176.300 -0.013 0.000 1.111 2427 R CA 1.936 57.850 56.100 -0.310 0.000 0.976 2427 R CB -0.192 29.695 30.300 -0.689 0.000 0.870 2427 R HN 0.185 nan 8.270 nan 0.000 0.445 2428 D N -0.424 119.951 120.400 -0.042 0.000 2.144 2428 D HA -0.158 4.486 4.640 0.008 0.000 0.200 2428 D C 1.314 177.814 176.300 0.334 0.000 0.978 2428 D CA 0.871 54.961 54.000 0.150 0.000 0.833 2428 D CB -0.239 40.579 40.800 0.029 0.000 0.961 2428 D HN 0.342 nan 8.370 nan 0.000 0.470 2429 W N 0.821 122.088 121.300 -0.055 0.000 2.467 2429 W HA 0.021 4.685 4.660 0.007 0.000 0.275 2429 W C 2.157 178.731 176.519 0.092 0.000 1.239 2429 W CA -0.049 57.200 57.345 -0.160 0.000 1.266 2429 W CB -1.037 27.980 29.460 -0.738 0.000 1.112 2429 W HN -0.133 nan 8.180 nan 0.000 0.576 2430 V N -0.418 119.758 119.914 0.437 0.000 2.379 2430 V HA -0.254 3.870 4.120 0.008 0.000 0.245 2430 V C 2.074 178.486 176.094 0.530 0.000 1.044 2430 V CA 1.750 64.364 62.300 0.523 0.000 1.036 2430 V CB -0.813 31.283 31.823 0.454 0.000 0.664 2430 V HN 0.303 nan 8.190 nan 0.000 0.453 2431 W N 1.146 122.673 121.300 0.378 0.000 2.388 2431 W HA -0.153 4.512 4.660 0.008 0.000 0.294 2431 W C 2.034 178.736 176.519 0.305 0.000 1.212 2431 W CA 1.712 59.261 57.345 0.340 0.000 1.271 2431 W CB -0.246 29.373 29.460 0.265 0.000 1.126 2431 W HN 0.407 nan 8.180 nan 0.000 0.535 2432 N N 0.396 119.254 118.700 0.265 0.000 2.188 2432 N HA -0.133 4.612 4.740 0.008 0.000 0.184 2432 N C 2.045 177.605 175.510 0.084 0.000 1.018 2432 N CA 1.239 54.364 53.050 0.125 0.000 0.858 2432 N CB -0.410 38.196 38.487 0.198 0.000 0.989 2432 N HN 0.031 nan 8.380 nan 0.000 0.426 2433 A N 1.275 124.222 122.820 0.212 0.000 1.855 2433 A HA -0.152 4.173 4.320 0.008 0.000 0.215 2433 A C 1.962 179.619 177.584 0.121 0.000 1.191 2433 A CA 0.970 53.155 52.037 0.246 0.000 0.613 2433 A CB -0.942 18.268 19.000 0.351 0.000 0.829 2433 A HN 0.375 nan 8.150 nan 0.000 0.442 2434 F N 0.782 120.723 119.950 -0.014 0.000 2.161 2434 F HA -0.156 4.375 4.527 0.006 0.000 0.300 2434 F C 2.138 177.780 175.800 -0.263 0.000 1.089 2434 F CA 1.880 59.805 58.000 -0.126 0.000 1.282 2434 F CB -0.367 38.549 39.000 -0.140 0.000 1.010 2434 F HN 0.022 nan 8.300 nan 0.000 0.485 2435 V N 0.459 120.021 119.914 -0.586 0.000 2.358 2435 V HA -0.247 3.877 4.120 0.008 0.000 0.246 2435 V C 2.775 178.635 176.094 -0.390 0.000 1.047 2435 V CA 1.630 63.545 62.300 -0.640 0.000 1.035 2435 V CB -1.390 30.116 31.823 -0.528 0.000 0.658 2435 V HN 0.496 nan 8.190 nan 0.000 0.452 2436 A N 0.156 122.831 122.820 -0.242 0.000 1.883 2436 A HA -0.234 4.091 4.320 0.008 0.000 0.217 2436 A C 2.154 179.628 177.584 -0.184 0.000 1.186 2436 A CA 2.240 54.180 52.037 -0.163 0.000 0.624 2436 A CB -0.608 18.330 19.000 -0.104 0.000 0.822 2436 A HN 0.511 nan 8.150 nan 0.000 0.444 2437 I N -0.354 120.084 120.570 -0.220 0.000 2.163 2437 I HA -0.284 3.891 4.170 0.008 0.000 0.243 2437 I C 2.404 178.439 176.117 -0.137 0.000 1.085 2437 I CA 1.818 63.016 61.300 -0.169 0.000 1.347 2437 I CB -0.488 37.419 38.000 -0.155 0.000 1.044 2437 I HN 0.456 nan 8.210 nan 0.000 0.408 2438 N N 0.462 118.965 118.700 -0.328 0.000 2.272 2438 N HA -0.185 4.560 4.740 0.008 0.000 0.185 2438 N C 1.795 177.278 175.510 -0.044 0.000 1.014 2438 N CA 1.779 54.728 53.050 -0.168 0.000 0.870 2438 N CB 0.035 38.231 38.487 -0.484 0.000 0.975 2438 N HN 0.411 nan 8.380 nan 0.000 0.433 2439 S N -3.157 112.481 115.700 -0.103 0.000 2.483 2439 S HA 0.097 4.572 4.470 0.008 0.000 0.221 2439 S C 1.752 176.336 174.600 -0.026 0.000 1.030 2439 S CA 0.564 58.727 58.200 -0.061 0.000 0.925 2439 S CB -0.121 63.032 63.200 -0.078 0.000 0.795 2439 S HN 0.178 nan 8.310 nan 0.000 0.511 2440 T N 1.083 115.623 114.554 -0.022 0.000 2.976 2440 T HA 0.095 4.450 4.350 0.008 0.000 0.257 2440 T C 1.702 176.435 174.700 0.055 0.000 1.051 2440 T CA 1.032 63.134 62.100 0.004 0.000 1.141 2440 T CB -0.409 68.449 68.868 -0.017 0.000 0.881 2440 T HN 0.497 nan 8.240 nan 0.000 0.461 2441 C N 0.820 120.185 119.300 0.108 0.000 2.735 2441 C HA 0.361 4.826 4.460 0.008 0.000 0.271 2441 C C 1.363 176.472 174.990 0.198 0.000 1.281 2441 C CA -1.028 58.102 59.018 0.186 0.000 1.719 2441 C CB -0.780 27.123 27.740 0.272 0.000 2.024 2441 C HN 0.408 nan 8.230 nan 0.000 0.566 2442 R N 2.159 122.760 120.500 0.168 0.000 2.570 2442 R HA 0.297 4.641 4.340 0.008 0.000 0.277 2442 R C 0.403 176.638 176.300 -0.108 0.000 1.039 2442 R CA 0.961 57.002 56.100 -0.099 0.000 1.065 2442 R CB 0.546 30.759 30.300 -0.145 0.000 0.964 2442 R HN 0.574 nan 8.270 nan 0.000 0.428 2443 T N -0.656 113.812 114.554 -0.143 0.000 2.773 2443 T HA 0.222 4.577 4.350 0.008 0.000 0.278 2443 T C 0.396 175.102 174.700 0.010 0.000 1.011 2443 T CA -0.887 61.177 62.100 -0.060 0.000 1.014 2443 T CB 1.275 70.105 68.868 -0.063 0.000 1.293 2443 T HN 0.461 nan 8.240 nan 0.000 0.554 2444 D N 0.554 120.959 120.400 0.008 0.000 2.218 2444 D HA -0.036 4.609 4.640 0.008 0.000 0.204 2444 D C 2.153 178.486 176.300 0.054 0.000 0.976 2444 D CA 1.853 55.893 54.000 0.067 0.000 0.853 2444 D CB -0.147 40.668 40.800 0.025 0.000 0.939 2444 D HN 0.644 nan 8.370 nan 0.000 0.481 2445 S N -1.829 113.834 115.700 -0.062 0.000 2.497 2445 S HA 0.437 4.911 4.470 0.008 0.000 0.218 2445 S C 1.164 175.562 174.600 -0.336 0.000 1.023 2445 S CA 0.428 58.558 58.200 -0.117 0.000 0.913 2445 S CB 1.433 64.597 63.200 -0.061 0.000 0.800 2445 S HN 0.297 nan 8.310 nan 0.000 0.505 2446 G N 0.445 109.043 108.800 -0.337 0.000 2.725 2446 G HA2 0.469 4.434 3.960 0.008 0.000 0.098 2446 G HA3 0.469 4.434 3.960 0.008 0.000 0.098 2446 G C -1.827 172.685 174.900 -0.647 0.000 1.188 2446 G CA -0.756 44.068 45.100 -0.461 0.000 1.237 2446 G HN 0.216 nan 8.290 nan 0.000 0.596 2447 F N 1.117 121.068 119.950 0.002 0.000 2.551 2447 F HA 0.837 5.368 4.527 0.007 0.000 0.316 2447 F C 0.474 176.258 175.800 -0.027 0.000 1.089 2447 F CA -0.390 57.612 58.000 0.003 0.000 0.915 2447 F CB 2.622 41.611 39.000 -0.018 0.000 1.186 2447 F HN 0.672 nan 8.300 nan 0.000 0.456 2448 A N 1.314 124.223 122.820 0.148 0.000 2.401 2448 A HA 0.887 5.211 4.320 0.008 0.000 0.310 2448 A C -0.686 176.938 177.584 0.065 0.000 1.075 2448 A CA -0.674 51.409 52.037 0.076 0.000 0.746 2448 A CB 1.024 20.063 19.000 0.065 0.000 1.277 2448 A HN 1.021 nan 8.150 nan 0.000 0.425 2449 A N 0.462 123.252 122.820 -0.049 0.000 2.406 2449 A HA 0.565 4.889 4.320 0.008 0.000 0.243 2449 A C 0.397 177.993 177.584 0.020 0.000 1.082 2449 A CA 0.456 52.369 52.037 -0.206 0.000 0.786 2449 A CB -0.120 18.460 19.000 -0.700 0.000 1.029 2449 A HN 2.176 nan 8.150 nan 0.000 0.495 2450 V N -0.881 119.082 119.914 0.080 0.000 2.914 2450 V HA 0.664 4.788 4.120 0.008 0.000 0.314 2450 V C 0.779 177.104 176.094 0.384 0.000 1.084 2450 V CA 0.130 62.594 62.300 0.272 0.000 0.963 2450 V CB 1.200 33.137 31.823 0.190 0.000 1.025 2450 V HN 1.366 nan 8.190 nan 0.000 0.432 2451 S N -0.017 115.900 115.700 0.363 0.000 2.436 2451 S HA 0.051 4.526 4.470 0.008 0.000 0.228 2451 S C 0.504 175.208 174.600 0.173 0.000 1.014 2451 S CA 1.117 59.488 58.200 0.285 0.000 0.950 2451 S CB -0.148 63.107 63.200 0.092 0.000 0.784 2451 S HN 0.964 nan 8.310 nan 0.000 0.504 2452 D N 1.279 121.755 120.400 0.126 0.000 2.386 2452 D HA 0.220 4.865 4.640 0.008 0.000 0.247 2452 D C 0.837 177.173 176.300 0.059 0.000 1.336 2452 D CA -0.335 53.715 54.000 0.084 0.000 0.976 2452 D CB 2.011 42.840 40.800 0.047 0.000 1.257 2452 D HN 0.092 nan 8.370 nan 0.000 0.570 2453 V N 1.795 121.744 119.914 0.059 0.000 3.241 2453 V HA 0.031 4.156 4.120 0.008 0.000 0.269 2453 V C 0.830 176.915 176.094 -0.015 0.000 1.151 2453 V CA 0.869 63.175 62.300 0.010 0.000 1.158 2453 V CB -0.632 31.178 31.823 -0.021 0.000 0.764 2453 V HN 0.297 nan 8.190 nan 0.000 0.508 2454 N N 1.018 119.708 118.700 -0.016 0.000 2.610 2454 N HA 0.349 5.094 4.740 0.008 0.000 0.309 2454 N C -0.688 174.793 175.510 -0.047 0.000 1.536 2454 N CA -0.244 52.775 53.050 -0.051 0.000 0.954 2454 N CB 0.054 38.466 38.487 -0.124 0.000 1.310 2454 N HN 0.635 nan 8.380 nan 0.000 0.502 2455 K N -0.443 119.944 120.400 -0.023 0.000 2.546 2455 K HA 0.524 4.848 4.320 0.008 0.000 0.264 2455 K C -1.042 175.553 176.600 -0.009 0.000 0.937 2455 K CA -0.981 55.296 56.287 -0.017 0.000 0.833 2455 K CB 1.809 34.304 32.500 -0.009 0.000 1.378 2455 K HN 0.100 nan 8.250 nan 0.000 0.432 2456 A N 2.441 125.255 122.820 -0.009 0.000 2.598 2456 A HA -0.052 4.272 4.320 0.008 0.000 0.239 2456 A C 0.448 178.032 177.584 -0.000 0.000 1.032 2456 A CA 0.638 52.672 52.037 -0.006 0.000 0.760 2456 A CB -0.423 18.573 19.000 -0.005 0.000 0.946 2456 A HN 0.947 nan 8.150 nan 0.000 0.512 2457 N N 0.740 119.440 118.700 -0.001 0.000 2.678 2457 N HA -0.257 4.487 4.740 0.008 0.000 0.250 2457 N C 0.921 176.444 175.510 0.021 0.000 1.136 2457 N CA 2.479 55.533 53.050 0.007 0.000 0.757 2457 N CB -1.680 36.812 38.487 0.007 0.000 1.135 2457 N HN 2.244 nan 8.380 nan 0.000 0.565 2458 G N -1.440 107.371 108.800 0.018 0.000 2.160 2458 G HA2 0.056 4.020 3.960 0.008 0.000 0.251 2458 G HA3 0.056 4.020 3.960 0.008 0.000 0.251 2458 G C 1.152 176.085 174.900 0.054 0.000 1.008 2458 G CA 1.163 46.286 45.100 0.038 0.000 0.724 2458 G HN 1.598 nan 8.290 nan 0.000 0.514 2459 G N -1.316 107.504 108.800 0.034 0.000 2.652 2459 G HA2 0.052 4.016 3.960 0.008 0.000 0.278 2459 G HA3 0.052 4.016 3.960 0.008 0.000 0.278 2459 G C 0.314 175.232 174.900 0.030 0.000 1.263 2459 G CA 0.597 45.715 45.100 0.030 0.000 0.966 2459 G HN 1.885 nan 8.290 nan 0.000 0.544 2460 S N 0.946 116.670 115.700 0.039 0.000 2.536 2460 S HA 0.654 5.129 4.470 0.008 0.000 0.298 2460 S C -0.281 174.367 174.600 0.080 0.000 1.083 2460 S CA -0.718 57.498 58.200 0.026 0.000 0.995 2460 S CB 2.107 65.293 63.200 -0.023 0.000 1.058 2460 S HN 0.675 nan 8.310 nan 0.000 0.488 2461 K N 1.142 121.589 120.400 0.080 0.000 2.144 2461 K HA 0.393 4.717 4.320 0.008 0.000 0.270 2461 K C -1.191 175.511 176.600 0.170 0.000 1.005 2461 K CA -0.361 56.015 56.287 0.149 0.000 0.932 2461 K CB 0.534 33.088 32.500 0.090 0.000 1.021 2461 K HN 0.486 nan 8.250 nan 0.000 0.462 2462 Y N 0.413 120.712 120.300 -0.000 0.000 2.376 2462 Y HA 0.048 4.602 4.550 0.008 0.000 0.325 2462 Y C 0.491 176.377 175.900 -0.023 0.000 1.199 2462 Y CA -0.748 57.345 58.100 -0.012 0.000 1.206 2462 Y CB 0.848 39.301 38.460 -0.012 0.000 1.229 2462 Y HN 0.534 nan 8.280 nan 0.000 0.480 2463 D N 2.174 122.657 120.400 0.139 0.000 2.741 2463 D HA 0.077 4.721 4.640 0.008 0.000 0.233 2463 D C -0.875 175.460 176.300 0.060 0.000 1.160 2463 D CA 0.146 54.178 54.000 0.053 0.000 1.003 2463 D CB -0.582 40.217 40.800 -0.002 0.000 1.064 2463 D HN 0.538 nan 8.370 nan 0.000 0.503 2464 N N 1.869 120.606 118.700 0.062 0.000 2.406 2464 N HA 0.131 4.875 4.740 0.008 0.000 0.283 2464 N C -1.803 173.673 175.510 -0.057 0.000 1.074 2464 N CA -0.396 52.657 53.050 0.004 0.000 0.916 2464 N CB 1.485 39.979 38.487 0.013 0.000 1.639 2464 N HN 0.144 nan 8.380 nan 0.000 0.485 2465 Q N 3.160 122.915 119.800 -0.075 0.000 2.533 2465 Q HA 0.167 4.511 4.340 0.008 0.000 0.251 2465 Q C -1.062 174.823 176.000 -0.192 0.000 0.966 2465 Q CA -0.581 55.154 55.803 -0.114 0.000 0.714 2465 Q CB 1.016 29.726 28.738 -0.047 0.000 1.284 2465 Q HN 0.526 nan 8.270 nan 0.000 0.478 2466 E N 0.951 120.927 120.200 -0.372 0.000 2.415 2466 E HA -0.028 4.327 4.350 0.008 0.000 0.262 2466 E C 1.003 177.292 176.600 -0.519 0.000 1.038 2466 E CA 0.563 56.599 56.400 -0.606 0.000 0.921 2466 E CB 1.310 30.191 29.700 -1.364 0.000 0.950 2466 E HN 0.803 nan 8.360 nan 0.000 0.438 2467 S N 2.298 117.793 115.700 -0.342 0.000 2.419 2467 S HA -0.212 4.262 4.470 0.008 0.000 0.235 2467 S C 1.625 176.219 174.600 -0.010 0.000 1.019 2467 S CA 1.196 59.349 58.200 -0.079 0.000 0.982 2467 S CB -0.599 62.586 63.200 -0.025 0.000 0.789 2467 S HN 0.553 nan 8.310 nan 0.000 0.490 2468 F N 1.223 121.187 119.950 0.022 0.000 2.722 2468 F HA 0.288 4.819 4.527 0.007 0.000 0.298 2468 F C 1.795 177.589 175.800 -0.011 0.000 1.175 2468 F CA -0.413 57.592 58.000 0.008 0.000 1.462 2468 F CB -0.706 38.292 39.000 -0.004 0.000 1.111 2468 F HN 0.166 nan 8.300 nan 0.000 0.592 2469 L N 0.034 121.268 121.223 0.019 0.000 2.056 2469 L HA -0.123 4.222 4.340 0.008 0.000 0.207 2469 L C 1.912 178.709 176.870 -0.121 0.000 1.078 2469 L CA 2.051 56.833 54.840 -0.097 0.000 0.749 2469 L CB -0.946 40.916 42.059 -0.329 0.000 0.901 2469 L HN 0.203 nan 8.230 nan 0.000 0.433 2470 F N 0.219 120.191 119.950 0.037 0.000 2.187 2470 F HA -0.023 4.508 4.527 0.007 0.000 0.295 2470 F C 2.630 178.518 175.800 0.146 0.000 1.091 2470 F CA 1.098 59.141 58.000 0.072 0.000 1.308 2470 F CB -0.472 38.523 39.000 -0.008 0.000 1.030 2470 F HN 0.167 nan 8.300 nan 0.000 0.487 2471 A N -0.183 122.799 122.820 0.270 0.000 1.874 2471 A HA -0.076 4.248 4.320 0.008 0.000 0.214 2471 A C 1.972 179.524 177.584 -0.054 0.000 1.189 2471 A CA 1.545 53.645 52.037 0.104 0.000 0.615 2471 A CB -0.370 18.646 19.000 0.027 0.000 0.830 2471 A HN 0.383 nan 8.150 nan 0.000 0.443 2472 E N -0.856 119.346 120.200 0.003 0.000 2.207 2472 E HA 0.050 4.404 4.350 0.008 0.000 0.197 2472 E C 1.942 178.559 176.600 0.029 0.000 0.914 2472 E CA 0.654 57.003 56.400 -0.086 0.000 0.914 2472 E CB -0.146 29.586 29.700 0.053 0.000 0.893 2472 E HN 0.256 nan 8.360 nan 0.000 0.479 2473 V N 1.925 121.923 119.914 0.140 0.000 2.295 2473 V HA -0.253 3.872 4.120 0.008 0.000 0.246 2473 V C 2.354 178.531 176.094 0.137 0.000 1.049 2473 V CA 1.470 63.877 62.300 0.177 0.000 1.024 2473 V CB -0.345 31.576 31.823 0.163 0.000 0.648 2473 V HN 0.296 nan 8.190 nan 0.000 0.447 2474 M N -0.328 119.337 119.600 0.107 0.000 2.200 2474 M HA -0.110 4.374 4.480 0.008 0.000 0.265 2474 M C 2.164 178.502 176.300 0.062 0.000 1.066 2474 M CA 1.643 57.020 55.300 0.128 0.000 1.127 2474 M CB -1.099 31.684 32.600 0.305 0.000 1.379 2474 M HN 0.353 nan 8.290 nan 0.000 0.420 2475 K N -0.395 119.994 120.400 -0.018 0.000 2.031 2475 K HA -0.150 4.174 4.320 0.008 0.000 0.205 2475 K C 1.988 178.507 176.600 -0.136 0.000 1.049 2475 K CA 1.350 57.568 56.287 -0.115 0.000 0.939 2475 K CB -0.191 32.153 32.500 -0.260 0.000 0.717 2475 K HN 0.258 nan 8.250 nan 0.000 0.438 2476 Y N 0.767 120.981 120.300 -0.143 0.000 2.274 2476 Y HA -0.176 4.378 4.550 0.007 0.000 0.290 2476 Y C 2.604 178.427 175.900 -0.128 0.000 1.145 2476 Y CA 0.868 58.777 58.100 -0.318 0.000 1.203 2476 Y CB 0.194 38.514 38.460 -0.233 0.000 0.984 2476 Y HN 0.153 nan 8.280 nan 0.000 0.533 2477 S N -0.686 115.105 115.700 0.152 0.000 2.368 2477 S HA -0.214 4.260 4.470 0.008 0.000 0.224 2477 S C 1.648 176.357 174.600 0.182 0.000 1.029 2477 S CA 1.265 59.550 58.200 0.142 0.000 0.988 2477 S CB -0.587 62.587 63.200 -0.043 0.000 0.838 2477 S HN 0.513 nan 8.310 nan 0.000 0.462 2478 Y N 2.187 122.476 120.300 -0.019 0.000 2.133 2478 Y HA -0.058 4.496 4.550 0.007 0.000 0.287 2478 Y C 1.958 177.911 175.900 0.088 0.000 1.134 2478 Y CA 0.961 59.067 58.100 0.010 0.000 1.133 2478 Y CB -0.753 37.663 38.460 -0.073 0.000 0.987 2478 Y HN 0.057 nan 8.280 nan 0.000 0.502 2479 L N 0.889 122.066 121.223 -0.077 0.000 2.089 2479 L HA -0.248 4.097 4.340 0.008 0.000 0.213 2479 L C 2.601 179.508 176.870 0.062 0.000 1.079 2479 L CA 2.058 56.846 54.840 -0.087 0.000 0.758 2479 L CB -1.726 40.242 42.059 -0.152 0.000 0.891 2479 L HN 0.423 nan 8.230 nan 0.000 0.433 2480 A N -2.237 120.649 122.820 0.110 0.000 2.125 2480 A HA -0.186 4.138 4.320 0.008 0.000 0.219 2480 A C 1.598 178.949 177.584 -0.388 0.000 1.156 2480 A CA 1.688 53.744 52.037 0.032 0.000 0.671 2480 A CB -0.699 18.320 19.000 0.031 0.000 0.794 2480 A HN 0.654 nan 8.150 nan 0.000 0.459 2481 H N -1.483 117.547 119.070 -0.067 0.000 3.360 2481 H HA 0.190 4.751 4.556 0.008 0.000 0.262 2481 H C 1.135 176.355 175.328 -0.180 0.000 1.149 2481 H CA 0.339 56.318 56.048 -0.115 0.000 1.181 2481 H CB 0.421 30.128 29.762 -0.091 0.000 1.564 2481 H HN 0.499 nan 8.280 nan 0.000 0.565 2482 S N 0.687 116.239 115.700 -0.247 0.000 2.671 2482 S HA 0.158 4.632 4.470 0.008 0.000 0.272 2482 S C 0.377 174.916 174.600 -0.102 0.000 1.174 2482 S CA -1.057 56.948 58.200 -0.326 0.000 1.004 2482 S CB 1.183 63.888 63.200 -0.824 0.000 1.077 2482 S HN 0.443 nan 8.310 nan 0.000 0.553 2483 E N -0.092 120.085 120.200 -0.038 0.000 2.343 2483 E HA 0.269 4.624 4.350 0.008 0.000 0.269 2483 E C -0.748 175.848 176.600 -0.008 0.000 1.047 2483 E CA -0.715 55.683 56.400 -0.004 0.000 0.874 2483 E CB 0.295 30.002 29.700 0.012 0.000 1.033 2483 E HN 0.600 nan 8.360 nan 0.000 0.409 2484 D N 1.078 121.458 120.400 -0.033 0.000 2.419 2484 D HA 0.305 4.950 4.640 0.008 0.000 0.236 2484 D C -0.924 175.264 176.300 -0.187 0.000 1.165 2484 D CA 0.667 54.626 54.000 -0.069 0.000 0.882 2484 D CB 0.787 41.552 40.800 -0.058 0.000 1.201 2484 D HN 0.667 nan 8.370 nan 0.000 0.443 2485 A N 1.595 124.223 122.820 -0.320 0.000 2.511 2485 A HA 0.633 4.958 4.320 0.008 0.000 0.293 2485 A C 0.435 177.711 177.584 -0.514 0.000 1.098 2485 A CA -0.052 51.619 52.037 -0.612 0.000 0.643 2485 A CB 0.240 18.424 19.000 -1.360 0.000 1.302 2485 A HN 0.576 nan 8.150 nan 0.000 0.446 2486 A N -0.908 121.614 122.820 -0.497 0.000 1.930 2486 A HA 0.043 4.367 4.320 0.008 0.000 0.217 2486 A C 1.575 179.165 177.584 0.010 0.000 1.175 2486 A CA 2.145 54.119 52.037 -0.105 0.000 0.627 2486 A CB -1.008 18.050 19.000 0.097 0.000 0.815 2486 A HN 1.803 nan 8.150 nan 0.000 0.443 2487 W N 0.291 121.500 121.300 -0.152 0.000 2.699 2487 W HA 0.172 4.835 4.660 0.006 0.000 0.249 2487 W C 0.452 176.971 176.519 0.000 0.000 1.280 2487 W CA -0.050 57.002 57.345 -0.489 0.000 1.345 2487 W CB -0.590 28.501 29.460 -0.615 0.000 1.128 2487 W HN 0.133 nan 8.180 nan 0.000 0.642 2488 Q N 1.302 121.239 119.800 0.228 0.000 2.340 2488 Q HA 0.190 4.535 4.340 0.008 0.000 0.249 2488 Q C 0.086 176.306 176.000 0.367 0.000 0.957 2488 Q CA -0.330 55.702 55.803 0.383 0.000 0.882 2488 Q CB 2.275 31.127 28.738 0.190 0.000 1.235 2488 Q HN -0.084 nan 8.270 nan 0.000 0.439 2489 V N 3.420 123.577 119.914 0.405 0.000 2.637 2489 V HA -0.021 4.104 4.120 0.008 0.000 0.296 2489 V C 0.478 176.658 176.094 0.142 0.000 1.046 2489 V CA 0.178 62.654 62.300 0.294 0.000 1.066 2489 V CB 0.768 32.674 31.823 0.139 0.000 0.968 2489 V HN 0.645 nan 8.190 nan 0.000 0.483 2490 Q N 3.318 123.210 119.800 0.154 0.000 2.418 2490 Q HA 0.586 4.931 4.340 0.008 0.000 0.276 2490 Q C -0.812 175.229 176.000 0.069 0.000 1.081 2490 Q CA -0.991 54.861 55.803 0.081 0.000 0.864 2490 Q CB 2.124 30.910 28.738 0.080 0.000 1.384 2490 Q HN 0.591 nan 8.270 nan 0.000 0.467 2491 K N -0.312 120.108 120.400 0.035 0.000 2.106 2491 K HA 0.552 4.876 4.320 0.008 0.000 0.246 2491 K C 0.575 177.198 176.600 0.038 0.000 0.987 2491 K CA 0.211 56.516 56.287 0.031 0.000 0.904 2491 K CB 0.902 33.405 32.500 0.005 0.000 1.071 2491 K HN 0.798 nan 8.250 nan 0.000 0.453 2492 G N 0.879 109.706 108.800 0.044 0.000 2.651 2492 G HA2 -0.351 3.614 3.960 0.008 0.000 0.315 2492 G HA3 -0.351 3.614 3.960 0.008 0.000 0.315 2492 G C 0.549 175.477 174.900 0.047 0.000 1.258 2492 G CA 0.166 45.293 45.100 0.045 0.000 1.002 2492 G HN 0.779 nan 8.290 nan 0.000 0.551 2493 G N -0.395 108.423 108.800 0.031 0.000 3.820 2493 G HA2 0.519 4.484 3.960 0.008 0.000 0.293 2493 G HA3 0.519 4.484 3.960 0.008 0.000 0.293 2493 G C 1.005 175.909 174.900 0.006 0.000 1.152 2493 G CA 0.935 46.044 45.100 0.015 0.000 0.921 2493 G HN 0.649 nan 8.290 nan 0.000 0.544 2494 K N 0.027 120.440 120.400 0.022 0.000 2.314 2494 K HA 0.030 4.355 4.320 0.008 0.000 0.198 2494 K C 0.263 176.886 176.600 0.039 0.000 1.045 2494 K CA -0.136 56.164 56.287 0.022 0.000 0.988 2494 K CB 0.160 32.674 32.500 0.023 0.000 0.783 2494 K HN 0.233 nan 8.250 nan 0.000 0.484 2495 N N 1.434 120.171 118.700 0.062 0.000 2.411 2495 N HA -0.065 4.680 4.740 0.008 0.000 0.265 2495 N C 0.561 176.102 175.510 0.052 0.000 1.266 2495 N CA 0.406 53.517 53.050 0.102 0.000 0.889 2495 N CB 0.806 39.375 38.487 0.137 0.000 1.069 2495 N HN 0.144 nan 8.380 nan 0.000 0.476 2496 T N -1.226 113.373 114.554 0.076 0.000 3.044 2496 T HA 0.280 4.634 4.350 0.008 0.000 0.260 2496 T C -0.115 174.448 174.700 -0.228 0.000 1.019 2496 T CA -0.053 62.008 62.100 -0.067 0.000 0.921 2496 T CB -0.130 68.703 68.868 -0.060 0.000 1.053 2496 T HN 0.203 nan 8.240 nan 0.000 0.533 2497 F N 0.579 120.572 119.950 0.072 0.000 2.576 2497 F HA 0.685 5.217 4.527 0.008 0.000 0.313 2497 F C -0.883 174.989 175.800 0.120 0.000 1.078 2497 F CA -1.296 56.750 58.000 0.077 0.000 0.921 2497 F CB 2.524 41.566 39.000 0.070 0.000 1.232 2497 F HN -0.118 nan 8.300 nan 0.000 0.459 2498 V N 4.465 124.551 119.914 0.287 0.000 2.482 2498 V HA 0.462 4.587 4.120 0.008 0.000 0.295 2498 V C -1.426 174.809 176.094 0.236 0.000 1.026 2498 V CA -0.613 61.852 62.300 0.274 0.000 0.856 2498 V CB 0.989 32.926 31.823 0.190 0.000 1.001 2498 V HN 0.593 nan 8.190 nan 0.000 0.424 2499 Y N 6.645 127.121 120.300 0.293 0.000 2.425 2499 Y HA 0.279 4.833 4.550 0.007 0.000 0.331 2499 Y C 1.171 177.209 175.900 0.231 0.000 1.157 2499 Y CA 0.341 58.606 58.100 0.276 0.000 1.372 2499 Y CB 0.654 39.324 38.460 0.350 0.000 1.253 2499 Y HN 0.835 nan 8.280 nan 0.000 0.536 2500 N N 0.236 119.131 118.700 0.325 0.000 2.366 2500 N HA -0.015 4.730 4.740 0.008 0.000 0.277 2500 N C 0.837 176.592 175.510 0.408 0.000 1.275 2500 N CA 0.117 53.349 53.050 0.303 0.000 0.964 2500 N CB 0.892 39.530 38.487 0.251 0.000 1.167 2500 N HN 0.638 nan 8.380 nan 0.000 0.568 2501 T N -1.103 113.726 114.554 0.460 0.000 3.113 2501 T HA -0.070 4.284 4.350 0.008 0.000 0.263 2501 T C 0.735 175.542 174.700 0.179 0.000 1.143 2501 T CA 0.914 63.198 62.100 0.307 0.000 1.090 2501 T CB -0.222 68.747 68.868 0.169 0.000 0.922 2501 T HN 0.617 nan 8.240 nan 0.000 0.521 2502 E N 0.057 120.336 120.200 0.132 0.000 2.496 2502 E HA 0.562 4.916 4.350 0.008 0.000 0.200 2502 E C 0.763 177.236 176.600 -0.211 0.000 1.016 2502 E CA 0.462 56.849 56.400 -0.022 0.000 0.962 2502 E CB -0.262 29.436 29.700 -0.005 0.000 1.071 2502 E HN 0.304 nan 8.360 nan 0.000 0.457 2503 A N 0.805 123.635 122.820 0.016 0.000 2.872 2503 A HA -0.207 4.118 4.320 0.008 0.000 0.273 2503 A C -0.559 177.015 177.584 -0.017 0.000 1.442 2503 A CA 1.008 53.064 52.037 0.031 0.000 0.801 2503 A CB -2.399 16.356 19.000 -0.408 0.000 1.031 2503 A HN 0.450 nan 8.150 nan 0.000 0.582 2504 H N -0.532 118.625 119.070 0.146 0.000 2.597 2504 H HA 0.402 4.962 4.556 0.007 0.000 0.303 2504 H C -2.788 172.485 175.328 -0.091 0.000 1.057 2504 H CA -2.005 54.050 56.048 0.011 0.000 1.261 2504 H CB 0.681 30.456 29.762 0.022 0.000 1.397 2504 H HN 0.269 nan 8.280 nan 0.000 0.461 2505 P HA 0.041 nan 4.420 nan 0.000 0.271 2505 P C -0.029 177.345 177.300 0.124 0.000 1.226 2505 P CA -0.051 62.844 63.100 -0.342 0.000 0.765 2505 P CB 0.762 32.032 31.700 -0.717 0.000 0.835 2506 I N 1.694 122.381 120.570 0.194 0.000 2.525 2506 I HA 0.224 4.399 4.170 0.008 0.000 0.301 2506 I C 0.641 176.834 176.117 0.127 0.000 0.992 2506 I CA -0.619 60.783 61.300 0.170 0.000 1.162 2506 I CB 1.402 39.432 38.000 0.049 0.000 1.332 2506 I HN 0.196 nan 8.210 nan 0.000 0.458 2507 S N 4.142 119.812 115.700 -0.050 0.000 2.531 2507 S HA 0.278 4.753 4.470 0.008 0.000 0.279 2507 S C 0.289 174.814 174.600 -0.124 0.000 1.305 2507 S CA -0.673 57.293 58.200 -0.391 0.000 1.058 2507 S CB 0.997 64.012 63.200 -0.307 0.000 0.899 2507 S HN 0.443 nan 8.310 nan 0.000 0.493 2508 V N 1.629 121.396 119.914 -0.244 0.000 3.096 2508 V HA 0.624 4.749 4.120 0.008 0.000 0.306 2508 V C 0.747 176.573 176.094 -0.445 0.000 1.088 2508 V CA -1.130 61.007 62.300 -0.272 0.000 1.129 2508 V CB -0.427 31.251 31.823 -0.241 0.000 1.014 2508 V HN 0.946 nan 8.190 nan 0.000 0.486 2509 A N 4.188 126.479 122.820 -0.881 0.000 2.555 2509 A HA 0.416 4.741 4.320 0.008 0.000 0.233 2509 A C 0.918 178.309 177.584 -0.321 0.000 1.060 2509 A CA 0.585 52.244 52.037 -0.631 0.000 0.759 2509 A CB -0.456 18.109 19.000 -0.725 0.000 0.995 2509 A HN 1.236 nan 8.150 nan 0.000 0.506 2510 R N 0.000 120.376 120.500 -0.206 0.000 2.786 2510 R HA 0.000 4.345 4.340 0.008 0.000 0.208 2510 R CA 0.000 56.016 56.100 -0.141 0.000 0.921 2510 R CB 0.000 30.219 30.300 -0.135 0.000 0.687 2510 R HN 0.000 nan 8.270 nan 0.000 0.535