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 1cvu_1_B DATA FIRST_RESID 105 DATA SEQUENCE IXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX 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XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXAN PccSNPcQNR GEcMSTGFDQ DATA SEQUENCE YKcDcTRTGF YGENcTTPEF LTRIKLLLKP TPNTVHYILT HFKGVWNIVN DATA SEQUENCE NPFLRSLIMK YVLTSRSYLI DSPPTYNVHY GYKSWEAFSN LSYYTRALPP DATA SEQUENCE VADDcPTPMG VKGNKELPDS KEVLEKVLLR REFIPDPQGS NMMFAFFAQH DATA SEQUENCE FTAQFFKTDH KRGPGFTRGL GHGVDLNHIY GETLDRQHKL RLFKDGKLKY DATA SEQUENCE QVIGGEVYPP TVKDTQVEMI YPPHIPENLQ FAVGQEVFGL VPGLMMYATI DATA SEQUENCE WLREHQRVCD ILKQEHPEWG DEQLFQTSKL ILIGETIKIV IEDYVQHLSG DATA SEQUENCE YHFKLKFDPE LLFNQQFQYQ NRIASEFNTL YHWHPLLPDT FNIEDQEYSF DATA SEQUENCE KQFLYNNSIL LEHGLTQFVE SFTRQIAGRV AGGRNVPIAV QAVAKASIDQ DATA SEQUENCE SREMKYQSLN EYRKRFSLKP YTSFEELTGE KEMAAELKAL YSDIDVMELY DATA SEQUENCE PALLVEKPRP DAIFGETMVE LGAPFSLKGL MGNPICSPQY WKPSTFGGEV DATA SEQUENCE GFKIINTASI QSLIcNNVKG cPFTSFNVQ 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 105 I HA 0.000 nan 4.170 nan 0.000 0.288 105 I C 0.000 176.226 176.117 0.181 0.000 1.063 105 I CA 0.000 61.391 61.300 0.152 0.000 1.566 105 I CB 0.000 38.093 38.000 0.156 0.000 1.214 2034 N N 2.434 121.167 118.700 0.056 0.000 2.414 2034 N HA 0.128 4.869 4.740 0.001 0.000 0.268 2034 N C -1.262 174.270 175.510 0.037 0.000 1.286 2034 N CA -0.513 52.565 53.050 0.047 0.000 0.896 2034 N CB 0.965 39.470 38.487 0.030 0.000 1.093 2034 N HN 0.171 nan 8.380 nan 0.000 0.480 2035 P HA -0.128 nan 4.420 nan 0.000 0.224 2035 P C 0.177 177.460 177.300 -0.028 0.000 1.142 2035 P CA 0.909 64.057 63.100 0.080 0.000 0.778 2035 P CB 0.035 31.837 31.700 0.171 0.000 0.764 2036 c N -1.958 116.605 118.600 -0.062 0.000 2.906 2036 c HA 0.159 4.730 4.570 0.001 0.000 0.274 2036 c C 2.644 176.651 174.090 -0.137 0.000 1.257 2036 c CA -0.296 55.934 56.329 -0.164 0.000 1.695 2036 c CB -2.062 40.383 42.510 -0.108 0.000 1.958 2036 c HN 0.335 nan 8.230 nan 0.000 0.619 2037 c N 1.696 120.248 118.600 -0.079 0.000 2.410 2037 c HA -0.109 4.462 4.570 0.001 0.000 0.281 2037 c C 2.791 176.836 174.090 -0.074 0.000 1.318 2037 c CA 2.101 58.396 56.329 -0.057 0.000 1.776 2037 c CB -1.303 41.196 42.510 -0.019 0.000 1.942 2037 c HN 0.823 nan 8.230 nan 0.000 0.508 2038 S N 0.006 115.643 115.700 -0.106 0.000 2.593 2038 S HA 0.038 4.508 4.470 0.001 0.000 0.217 2038 S C 0.322 174.840 174.600 -0.136 0.000 0.966 2038 S CA 0.363 58.501 58.200 -0.102 0.000 0.914 2038 S CB -1.039 62.105 63.200 -0.093 0.000 0.776 2038 S HN 0.777 nan 8.310 nan 0.000 0.523 2039 N N 1.645 120.242 118.700 -0.172 0.000 2.714 2039 N HA -0.111 4.630 4.740 0.001 0.000 0.253 2039 N C -1.955 173.436 175.510 -0.198 0.000 1.024 2039 N CA 0.520 53.461 53.050 -0.182 0.000 0.726 2039 N CB -1.337 37.061 38.487 -0.149 0.000 0.908 2039 N HN 0.454 nan 8.380 nan 0.000 0.542 2040 P HA -0.115 nan 4.420 nan 0.000 0.217 2040 P C 0.012 177.215 177.300 -0.162 0.000 1.150 2040 P CA 0.937 63.874 63.100 -0.271 0.000 0.832 2040 P CB 0.108 31.443 31.700 -0.608 0.000 0.787 2041 c N 2.748 121.252 118.600 -0.160 0.000 2.627 2041 c HA 0.277 4.848 4.570 0.001 0.000 0.404 2041 c C 0.920 174.944 174.090 -0.110 0.000 1.340 2041 c CA -0.623 55.660 56.329 -0.078 0.000 1.758 2041 c CB -0.925 41.561 42.510 -0.040 0.000 2.501 2041 c HN 0.277 nan 8.230 nan 0.000 0.588 2042 Q N 1.732 121.457 119.800 -0.126 0.000 2.166 2042 Q HA 0.302 4.642 4.340 0.001 0.000 0.226 2042 Q C 0.522 176.381 176.000 -0.235 0.000 0.989 2042 Q CA -0.449 55.239 55.803 -0.191 0.000 0.966 2042 Q CB 0.314 28.910 28.738 -0.237 0.000 1.173 2042 Q HN 0.732 nan 8.270 nan 0.000 0.509 2043 N N 1.169 119.688 118.700 -0.302 0.000 2.710 2043 N HA -0.246 4.495 4.740 0.001 0.000 0.249 2043 N C -0.514 174.927 175.510 -0.115 0.000 1.059 2043 N CA 0.998 53.868 53.050 -0.299 0.000 0.720 2043 N CB -0.402 37.654 38.487 -0.717 0.000 0.983 2043 N HN 0.621 nan 8.380 nan 0.000 0.544 2044 R N -4.344 116.096 120.500 -0.100 0.000 3.840 2044 R HA -0.139 4.201 4.340 0.001 0.000 0.464 2044 R C 0.920 177.211 176.300 -0.016 0.000 0.986 2044 R CA 1.256 57.324 56.100 -0.053 0.000 1.305 2044 R CB -2.194 28.092 30.300 -0.023 0.000 1.950 2044 R HN 0.454 nan 8.270 nan 0.000 0.526 2045 G N 1.438 110.226 108.800 -0.021 0.000 2.491 2045 G HA2 0.245 4.205 3.960 0.001 0.000 0.238 2045 G HA3 0.245 4.205 3.960 0.001 0.000 0.238 2045 G C 0.057 174.964 174.900 0.012 0.000 1.277 2045 G CA -0.278 44.832 45.100 0.017 0.000 0.851 2045 G HN 0.199 nan 8.290 nan 0.000 0.573 2046 E N -0.023 120.202 120.200 0.042 0.000 2.216 2046 E HA 0.275 4.626 4.350 0.001 0.000 0.279 2046 E C -0.678 175.952 176.600 0.049 0.000 0.997 2046 E CA -0.637 55.791 56.400 0.046 0.000 0.817 2046 E CB 1.948 31.701 29.700 0.087 0.000 1.096 2046 E HN 0.351 nan 8.360 nan 0.000 0.393 2047 c N 4.667 123.277 118.600 0.017 0.000 2.369 2047 c HA 0.560 5.131 4.570 0.001 0.000 0.358 2047 c C -0.184 173.939 174.090 0.055 0.000 1.274 2047 c CA -0.335 56.010 56.329 0.026 0.000 1.935 2047 c CB -0.573 41.883 42.510 -0.091 0.000 2.431 2047 c HN 0.797 nan 8.230 nan 0.000 0.545 2048 M N 5.709 125.369 119.600 0.100 0.000 2.386 2048 M HA 0.437 4.917 4.480 0.001 0.000 0.293 2048 M C -0.098 176.256 176.300 0.090 0.000 1.120 2048 M CA -0.078 55.266 55.300 0.073 0.000 0.909 2048 M CB 2.160 34.794 32.600 0.057 0.000 1.661 2048 M HN 0.770 nan 8.290 nan 0.000 0.452 2049 S N 2.021 117.749 115.700 0.046 0.000 2.565 2049 S HA 0.335 4.806 4.470 0.001 0.000 0.276 2049 S C 0.663 175.261 174.600 -0.004 0.000 1.326 2049 S CA 0.004 58.227 58.200 0.039 0.000 1.045 2049 S CB 0.646 63.840 63.200 -0.009 0.000 0.918 2049 S HN 0.788 nan 8.310 nan 0.000 0.505 2050 T N -1.401 113.150 114.554 -0.006 0.000 3.040 2050 T HA 0.587 4.938 4.350 0.001 0.000 0.266 2050 T C 0.639 175.299 174.700 -0.067 0.000 1.005 2050 T CA 0.053 62.131 62.100 -0.038 0.000 0.906 2050 T CB 0.037 68.887 68.868 -0.031 0.000 1.082 2050 T HN 1.216 nan 8.240 nan 0.000 0.531 2051 G N -0.137 108.611 108.800 -0.087 0.000 2.349 2051 G HA2 0.436 4.397 3.960 0.001 0.000 0.294 2051 G HA3 0.436 4.397 3.960 0.001 0.000 0.294 2051 G C -0.474 174.347 174.900 -0.131 0.000 1.380 2051 G CA -0.841 44.181 45.100 -0.129 0.000 0.811 2051 G HN -0.031 nan 8.290 nan 0.000 0.519 2052 F N 0.179 120.141 119.950 0.020 0.000 2.126 2052 F HA 0.047 4.574 4.527 0.001 0.000 0.299 2052 F C 1.621 177.441 175.800 0.034 0.000 1.096 2052 F CA 1.701 59.715 58.000 0.024 0.000 1.255 2052 F CB 0.333 39.344 39.000 0.018 0.000 0.997 2052 F HN 0.209 nan 8.300 nan 0.000 0.479 2053 D N 0.029 120.558 120.400 0.215 0.000 2.891 2053 D HA 0.194 4.834 4.640 0.001 0.000 0.312 2053 D C -0.478 175.891 176.300 0.115 0.000 1.354 2053 D CA 0.170 54.259 54.000 0.148 0.000 0.838 2053 D CB 0.373 41.249 40.800 0.126 0.000 1.117 2053 D HN 0.339 nan 8.370 nan 0.000 0.473 2054 Q N 0.123 119.984 119.800 0.102 0.000 2.418 2054 Q HA 0.516 4.857 4.340 0.001 0.000 0.282 2054 Q C -1.135 174.933 176.000 0.114 0.000 1.044 2054 Q CA -1.089 54.751 55.803 0.062 0.000 0.813 2054 Q CB 2.425 31.159 28.738 -0.007 0.000 1.428 2054 Q HN 0.231 nan 8.270 nan 0.000 0.402 2055 Y N -1.247 119.054 120.300 0.001 0.000 2.669 2055 Y HA 0.887 5.438 4.550 0.001 0.000 0.335 2055 Y C -1.476 174.424 175.900 -0.001 0.000 1.116 2055 Y CA -1.264 56.833 58.100 -0.004 0.000 1.081 2055 Y CB 1.783 40.241 38.460 -0.003 0.000 1.297 2055 Y HN 0.629 nan 8.280 nan 0.000 0.484 2056 K N 0.614 121.137 120.400 0.204 0.000 2.523 2056 K HA 0.714 5.035 4.320 0.001 0.000 0.257 2056 K C -2.282 174.454 176.600 0.228 0.000 0.932 2056 K CA -0.295 56.041 56.287 0.081 0.000 0.812 2056 K CB 1.919 34.432 32.500 0.023 0.000 1.326 2056 K HN 0.958 nan 8.250 nan 0.000 0.433 2057 c N 2.372 121.084 118.600 0.186 0.000 2.329 2057 c HA 0.451 5.021 4.570 0.001 0.000 0.329 2057 c C -0.844 173.307 174.090 0.102 0.000 1.275 2057 c CA -0.615 55.810 56.329 0.159 0.000 1.726 2057 c CB 0.759 43.368 42.510 0.164 0.000 2.291 2057 c HN 0.808 nan 8.230 nan 0.000 0.514 2058 D N 1.699 122.151 120.400 0.086 0.000 2.467 2058 D HA 0.236 4.877 4.640 0.001 0.000 0.220 2058 D C 0.340 176.686 176.300 0.077 0.000 1.103 2058 D CA -0.333 53.711 54.000 0.073 0.000 0.886 2058 D CB 0.583 41.422 40.800 0.065 0.000 1.025 2058 D HN 0.646 nan 8.370 nan 0.000 0.514 2059 c N 2.832 121.487 118.600 0.091 0.000 2.578 2059 c HA 0.138 4.709 4.570 0.001 0.000 0.285 2059 c C 0.941 175.095 174.090 0.107 0.000 1.297 2059 c CA -0.389 56.007 56.329 0.111 0.000 1.690 2059 c CB -1.808 40.796 42.510 0.156 0.000 1.773 2059 c HN 0.511 nan 8.230 nan 0.000 0.594 2060 T N 1.503 116.104 114.554 0.079 0.000 2.849 2060 T HA 0.018 4.369 4.350 0.001 0.000 0.289 2060 T C 1.056 175.795 174.700 0.065 0.000 1.010 2060 T CA 0.657 62.795 62.100 0.064 0.000 1.161 2060 T CB 0.011 68.906 68.868 0.046 0.000 0.989 2060 T HN 0.627 nan 8.240 nan 0.000 0.523 2061 R N 0.083 120.619 120.500 0.060 0.000 4.000 2061 R HA -0.235 4.106 4.340 0.001 0.000 0.348 2061 R C 1.777 178.123 176.300 0.077 0.000 1.204 2061 R CA 1.356 57.489 56.100 0.053 0.000 0.987 2061 R CB -2.174 28.149 30.300 0.038 0.000 1.446 2061 R HN 0.928 nan 8.270 nan 0.000 0.555 2062 T N -4.370 110.254 114.554 0.117 0.000 3.055 2062 T HA 0.175 4.526 4.350 0.001 0.000 0.265 2062 T C 1.544 176.396 174.700 0.253 0.000 1.111 2062 T CA 0.950 63.162 62.100 0.187 0.000 1.118 2062 T CB 0.565 69.559 68.868 0.210 0.000 0.909 2062 T HN 0.686 nan 8.240 nan 0.000 0.501 2063 G N 0.525 109.394 108.800 0.115 0.000 2.179 2063 G HA2 -0.168 3.793 3.960 0.001 0.000 0.260 2063 G HA3 -0.168 3.793 3.960 0.001 0.000 0.260 2063 G C -0.091 174.632 174.900 -0.296 0.000 0.977 2063 G CA 0.193 45.240 45.100 -0.089 0.000 0.641 2063 G HN 0.574 nan 8.290 nan 0.000 0.533 2064 F N -0.927 119.050 119.950 0.045 0.000 2.664 2064 F HA 0.835 5.362 4.527 0.001 0.000 0.329 2064 F C 0.204 176.065 175.800 0.102 0.000 1.090 2064 F CA -0.916 57.077 58.000 -0.011 0.000 0.978 2064 F CB 1.378 40.332 39.000 -0.076 0.000 1.378 2064 F HN 0.281 nan 8.300 nan 0.000 0.495 2065 Y N -1.492 118.949 120.300 0.234 0.000 2.744 2065 Y HA 0.879 5.430 4.550 0.001 0.000 0.330 2065 Y C -0.270 175.700 175.900 0.116 0.000 1.263 2065 Y CA -1.790 56.389 58.100 0.133 0.000 1.065 2065 Y CB 1.188 39.696 38.460 0.080 0.000 1.306 2065 Y HN 1.116 nan 8.280 nan 0.000 0.459 2066 G N 0.274 109.263 108.800 0.316 0.000 2.570 2066 G HA2 -0.136 3.825 3.960 0.001 0.000 0.686 2066 G HA3 -0.136 3.825 3.960 0.001 0.000 0.686 2066 G C 0.164 175.135 174.900 0.117 0.000 1.257 2066 G CA -0.162 45.045 45.100 0.178 0.000 0.846 2066 G HN 1.194 nan 8.290 nan 0.000 0.627 2067 E N -0.193 120.057 120.200 0.084 0.000 2.169 2067 E HA -0.233 4.117 4.350 0.001 0.000 0.202 2067 E C 1.338 178.008 176.600 0.118 0.000 1.016 2067 E CA 1.813 58.253 56.400 0.067 0.000 0.817 2067 E CB -0.071 29.648 29.700 0.032 0.000 0.736 2067 E HN 0.420 nan 8.360 nan 0.000 0.462 2068 N N -0.903 117.852 118.700 0.093 0.000 2.282 2068 N HA 0.090 4.831 4.740 0.001 0.000 0.240 2068 N C -0.623 174.889 175.510 0.004 0.000 1.182 2068 N CA 0.441 53.536 53.050 0.075 0.000 0.874 2068 N CB 0.509 39.027 38.487 0.051 0.000 1.126 2068 N HN 0.133 nan 8.380 nan 0.000 0.516 2069 c N 0.861 119.481 118.600 0.032 0.000 4.167 2069 c HA -0.117 4.454 4.570 0.001 0.000 0.302 2069 c C 1.751 175.779 174.090 -0.103 0.000 1.384 2069 c CA 1.106 57.451 56.329 0.027 0.000 2.041 2069 c CB -3.116 39.407 42.510 0.022 0.000 1.303 2069 c HN 0.591 nan 8.230 nan 0.000 0.718 2070 T N -4.932 109.571 114.554 -0.086 0.000 2.985 2070 T HA 0.148 4.499 4.350 0.001 0.000 0.254 2070 T C 0.356 175.069 174.700 0.022 0.000 1.021 2070 T CA 0.542 62.560 62.100 -0.137 0.000 0.957 2070 T CB 0.197 68.998 68.868 -0.111 0.000 1.047 2070 T HN 0.544 nan 8.240 nan 0.000 0.511 2071 T N 5.879 120.367 114.554 -0.110 0.000 2.723 2071 T HA 0.372 4.722 4.350 0.001 0.000 0.297 2071 T C -2.617 171.843 174.700 -0.401 0.000 0.925 2071 T CA -1.160 60.741 62.100 -0.332 0.000 1.030 2071 T CB 1.097 69.534 68.868 -0.719 0.000 0.905 2071 T HN 0.233 nan 8.240 nan 0.000 0.502 2072 P HA 0.229 nan 4.420 nan 0.000 0.275 2072 P C -0.257 176.910 177.300 -0.222 0.000 1.228 2072 P CA -0.425 62.431 63.100 -0.406 0.000 0.786 2072 P CB 1.000 32.508 31.700 -0.320 0.000 0.927 2073 E N 1.140 121.216 120.200 -0.207 0.000 2.331 2073 E HA 0.069 4.419 4.350 0.001 0.000 0.272 2073 E C 0.831 177.433 176.600 0.004 0.000 1.036 2073 E CA -0.448 55.986 56.400 0.055 0.000 0.864 2073 E CB 0.182 29.909 29.700 0.045 0.000 1.035 2073 E HN 0.341 nan 8.360 nan 0.000 0.408 2074 F N 3.333 123.272 119.950 -0.019 0.000 2.054 2074 F HA -0.360 4.168 4.527 0.001 0.000 0.294 2074 F C 1.765 177.526 175.800 -0.064 0.000 1.126 2074 F CA 2.196 60.176 58.000 -0.034 0.000 1.226 2074 F CB -0.588 38.401 39.000 -0.017 0.000 0.947 2074 F HN 0.549 nan 8.300 nan 0.000 0.509 2075 L N 0.121 121.195 121.223 -0.247 0.000 2.081 2075 L HA -0.237 4.104 4.340 0.001 0.000 0.212 2075 L C 2.301 178.975 176.870 -0.326 0.000 1.080 2075 L CA 2.646 57.282 54.840 -0.340 0.000 0.754 2075 L CB -1.216 40.775 42.059 -0.115 0.000 0.893 2075 L HN 0.364 nan 8.230 nan 0.000 0.433 2076 T N -0.418 113.962 114.554 -0.291 0.000 2.635 2076 T HA -0.246 4.104 4.350 0.001 0.000 0.267 2076 T C 1.930 176.445 174.700 -0.308 0.000 1.040 2076 T CA 1.988 63.879 62.100 -0.348 0.000 1.156 2076 T CB -0.249 68.265 68.868 -0.589 0.000 0.863 2076 T HN 0.394 nan 8.240 nan 0.000 0.430 2077 R N 0.315 120.631 120.500 -0.307 0.000 2.094 2077 R HA -0.091 4.249 4.340 0.001 0.000 0.239 2077 R C 2.420 178.562 176.300 -0.263 0.000 1.137 2077 R CA 1.385 57.344 56.100 -0.236 0.000 0.943 2077 R CB -0.595 29.587 30.300 -0.196 0.000 0.850 2077 R HN 0.277 nan 8.270 nan 0.000 0.433 2078 I N 1.495 121.812 120.570 -0.422 0.000 2.091 2078 I HA -0.317 3.853 4.170 0.001 0.000 0.239 2078 I C 2.114 178.099 176.117 -0.220 0.000 1.061 2078 I CA 1.677 62.756 61.300 -0.368 0.000 1.317 2078 I CB -1.036 36.669 38.000 -0.492 0.000 1.031 2078 I HN 0.061 nan 8.210 nan 0.000 0.401 2079 K N 0.756 121.029 120.400 -0.211 0.000 2.044 2079 K HA -0.134 4.187 4.320 0.001 0.000 0.210 2079 K C 2.214 178.751 176.600 -0.105 0.000 1.049 2079 K CA 1.249 57.448 56.287 -0.146 0.000 0.927 2079 K CB -1.155 31.252 32.500 -0.155 0.000 0.713 2079 K HN 0.333 nan 8.250 nan 0.000 0.443 2080 L N 0.037 121.199 121.223 -0.102 0.000 2.079 2080 L HA -0.192 4.148 4.340 0.001 0.000 0.210 2080 L C 2.247 179.094 176.870 -0.039 0.000 1.081 2080 L CA 0.622 55.433 54.840 -0.048 0.000 0.752 2080 L CB -0.391 41.653 42.059 -0.026 0.000 0.896 2080 L HN 0.084 nan 8.230 nan 0.000 0.433 2081 L N -0.907 120.279 121.223 -0.062 0.000 2.275 2081 L HA -0.130 4.211 4.340 0.001 0.000 0.215 2081 L C 1.739 178.584 176.870 -0.042 0.000 1.119 2081 L CA 1.460 56.271 54.840 -0.049 0.000 0.790 2081 L CB -0.077 41.943 42.059 -0.064 0.000 0.919 2081 L HN 0.139 nan 8.230 nan 0.000 0.443 2082 L N -1.339 119.855 121.223 -0.049 0.000 2.640 2082 L HA 0.181 4.521 4.340 0.001 0.000 0.230 2082 L C 0.820 177.678 176.870 -0.020 0.000 1.123 2082 L CA 0.336 55.152 54.840 -0.039 0.000 0.900 2082 L CB -0.423 41.605 42.059 -0.052 0.000 1.146 2082 L HN 0.012 nan 8.230 nan 0.000 0.484 2083 K N 2.464 122.859 120.400 -0.009 0.000 2.248 2083 K HA 0.332 4.652 4.320 0.001 0.000 0.281 2083 K C -2.280 174.341 176.600 0.034 0.000 1.054 2083 K CA -1.564 54.735 56.287 0.020 0.000 0.903 2083 K CB 1.063 33.576 32.500 0.023 0.000 1.077 2083 K HN -0.098 nan 8.250 nan 0.000 0.474 2084 P HA 0.059 nan 4.420 nan 0.000 0.277 2084 P C -0.439 176.908 177.300 0.078 0.000 1.240 2084 P CA -0.411 62.721 63.100 0.053 0.000 0.798 2084 P CB 0.954 32.686 31.700 0.053 0.000 0.979 2085 T N -0.789 113.808 114.554 0.071 0.000 2.860 2085 T HA 0.157 4.507 4.350 0.001 0.000 0.299 2085 T C -1.716 173.052 174.700 0.114 0.000 1.045 2085 T CA -1.190 60.958 62.100 0.081 0.000 1.071 2085 T CB -0.083 68.823 68.868 0.063 0.000 0.985 2085 T HN 0.160 nan 8.240 nan 0.000 0.537 2086 P HA -0.086 nan 4.420 nan 0.000 0.216 2086 P C 1.360 178.769 177.300 0.182 0.000 1.150 2086 P CA 0.926 64.111 63.100 0.141 0.000 0.843 2086 P CB -0.006 31.758 31.700 0.107 0.000 0.787 2087 N N -1.539 117.254 118.700 0.155 0.000 2.270 2087 N HA -0.067 4.674 4.740 0.001 0.000 0.181 2087 N C 1.595 177.266 175.510 0.268 0.000 1.016 2087 N CA 1.339 54.509 53.050 0.200 0.000 0.870 2087 N CB -1.034 37.536 38.487 0.139 0.000 0.979 2087 N HN 0.168 nan 8.380 nan 0.000 0.431 2088 T N 0.798 115.468 114.554 0.193 0.000 2.737 2088 T HA -0.020 4.330 4.350 0.001 0.000 0.265 2088 T C 2.186 177.040 174.700 0.257 0.000 1.038 2088 T CA 0.752 62.959 62.100 0.180 0.000 1.144 2088 T CB -0.248 68.678 68.868 0.096 0.000 0.866 2088 T HN -0.039 nan 8.240 nan 0.000 0.434 2089 V N 1.132 121.179 119.914 0.222 0.000 2.358 2089 V HA -0.188 3.933 4.120 0.001 0.000 0.246 2089 V C 2.288 178.512 176.094 0.216 0.000 1.047 2089 V CA 2.037 64.461 62.300 0.208 0.000 1.035 2089 V CB -0.711 31.233 31.823 0.202 0.000 0.658 2089 V HN 0.594 nan 8.190 nan 0.000 0.452 2090 H N -0.978 118.199 119.070 0.179 0.000 2.387 2090 H HA -0.243 4.314 4.556 0.001 0.000 0.299 2090 H C 2.107 177.570 175.328 0.225 0.000 1.090 2090 H CA 2.229 58.383 56.048 0.177 0.000 1.332 2090 H CB -0.292 29.593 29.762 0.204 0.000 1.386 2090 H HN 0.539 nan 8.280 nan 0.000 0.516 2091 Y N 0.540 120.985 120.300 0.241 0.000 2.089 2091 Y HA -0.199 4.352 4.550 0.001 0.000 0.282 2091 Y C 2.271 178.437 175.900 0.443 0.000 1.139 2091 Y CA 2.114 60.411 58.100 0.328 0.000 1.123 2091 Y CB -0.345 38.292 38.460 0.295 0.000 0.980 2091 Y HN 0.215 nan 8.280 nan 0.000 0.493 2092 I N -0.288 120.704 120.570 0.702 0.000 2.194 2092 I HA -0.327 3.844 4.170 0.001 0.000 0.246 2092 I C 2.026 178.544 176.117 0.668 0.000 1.093 2092 I CA 0.961 62.713 61.300 0.754 0.000 1.355 2092 I CB -0.472 37.780 38.000 0.419 0.000 1.046 2092 I HN 0.292 nan 8.210 nan 0.000 0.413 2093 L N 0.525 121.882 121.223 0.223 0.000 2.275 2093 L HA -0.104 4.237 4.340 0.001 0.000 0.215 2093 L C 2.236 178.933 176.870 -0.288 0.000 1.119 2093 L CA 1.992 56.709 54.840 -0.205 0.000 0.790 2093 L CB -1.211 40.364 42.059 -0.807 0.000 0.919 2093 L HN 0.416 nan 8.230 nan 0.000 0.443 2094 T N -4.933 109.466 114.554 -0.259 0.000 3.176 2094 T HA 0.268 4.618 4.350 0.001 0.000 0.263 2094 T C 0.346 174.680 174.700 -0.612 0.000 1.021 2094 T CA -0.275 61.470 62.100 -0.591 0.000 0.905 2094 T CB -0.151 68.278 68.868 -0.732 0.000 1.057 2094 T HN 0.250 nan 8.240 nan 0.000 0.558 2095 H N -0.927 118.236 119.070 0.155 0.000 2.959 2095 H HA 0.546 5.103 4.556 0.001 0.000 0.296 2095 H C -0.707 174.823 175.328 0.337 0.000 1.421 2095 H CA -1.639 54.378 56.048 -0.052 0.000 1.206 2095 H CB 0.662 29.906 29.762 -0.865 0.000 1.891 2095 H HN 0.027 nan 8.280 nan 0.000 0.573 2096 F N -0.634 119.499 119.950 0.305 0.000 3.067 2096 F HA -0.278 4.249 4.527 0.001 0.000 0.279 2096 F C 1.614 177.497 175.800 0.140 0.000 0.945 2096 F CA 0.707 58.779 58.000 0.120 0.000 0.948 2096 F CB -1.293 37.687 39.000 -0.034 0.000 0.898 2096 F HN 0.519 nan 8.300 nan 0.000 0.746 2097 K N 1.092 121.601 120.400 0.182 0.000 2.160 2097 K HA -0.165 4.156 4.320 0.001 0.000 0.206 2097 K C 2.289 178.942 176.600 0.087 0.000 1.047 2097 K CA 1.691 57.962 56.287 -0.026 0.000 0.930 2097 K CB -0.566 31.614 32.500 -0.534 0.000 0.720 2097 K HN 0.587 nan 8.250 nan 0.000 0.450 2098 G N 0.447 109.281 108.800 0.058 0.000 2.421 2098 G HA2 -0.254 3.707 3.960 0.001 0.000 0.216 2098 G HA3 -0.254 3.707 3.960 0.001 0.000 0.216 2098 G C 1.426 176.352 174.900 0.044 0.000 1.171 2098 G CA 0.982 46.109 45.100 0.045 0.000 0.775 2098 G HN 0.334 nan 8.290 nan 0.000 0.543 2099 V N -1.205 118.705 119.914 -0.006 0.000 2.453 2099 V HA 0.004 4.125 4.120 0.001 0.000 0.247 2099 V C 2.261 178.304 176.094 -0.085 0.000 1.048 2099 V CA 1.483 63.712 62.300 -0.118 0.000 1.049 2099 V CB -0.633 31.016 31.823 -0.290 0.000 0.672 2099 V HN 0.543 nan 8.190 nan 0.000 0.457 2100 W N 0.685 122.062 121.300 0.128 0.000 2.392 2100 W HA -0.101 4.559 4.660 0.001 0.000 0.279 2100 W C 2.419 179.025 176.519 0.144 0.000 1.225 2100 W CA 1.394 58.842 57.345 0.172 0.000 1.233 2100 W CB -0.360 29.242 29.460 0.236 0.000 1.122 2100 W HN 0.350 nan 8.180 nan 0.000 0.561 2101 N N 0.662 119.535 118.700 0.288 0.000 2.106 2101 N HA -0.171 4.569 4.740 0.001 0.000 0.188 2101 N C 1.870 177.472 175.510 0.153 0.000 1.029 2101 N CA 1.995 55.157 53.050 0.187 0.000 0.848 2101 N CB -0.367 38.186 38.487 0.109 0.000 1.007 2101 N HN 0.192 nan 8.380 nan 0.000 0.423 2102 I N -1.693 118.946 120.570 0.115 0.000 2.252 2102 I HA -0.154 4.017 4.170 0.001 0.000 0.245 2102 I C 1.599 177.793 176.117 0.128 0.000 1.102 2102 I CA 1.088 62.442 61.300 0.089 0.000 1.385 2102 I CB -0.490 37.535 38.000 0.041 0.000 1.064 2102 I HN -0.107 nan 8.210 nan 0.000 0.414 2103 V N 2.440 122.455 119.914 0.169 0.000 2.287 2103 V HA -0.277 3.844 4.120 0.001 0.000 0.248 2103 V C 2.321 178.598 176.094 0.304 0.000 1.053 2103 V CA 2.406 64.852 62.300 0.243 0.000 1.027 2103 V CB -1.349 30.682 31.823 0.346 0.000 0.646 2103 V HN 0.494 nan 8.190 nan 0.000 0.447 2104 N N 0.693 119.595 118.700 0.336 0.000 2.430 2104 N HA -0.102 4.639 4.740 0.001 0.000 0.186 2104 N C 0.721 176.323 175.510 0.153 0.000 1.032 2104 N CA 0.829 54.021 53.050 0.238 0.000 0.893 2104 N CB -0.401 38.199 38.487 0.188 0.000 0.957 2104 N HN 0.502 nan 8.380 nan 0.000 0.442 2105 N N 0.020 118.808 118.700 0.147 0.000 3.112 2105 N HA 0.215 4.956 4.740 0.001 0.000 0.270 2105 N C -2.099 173.478 175.510 0.113 0.000 1.385 2105 N CA -0.900 52.215 53.050 0.109 0.000 0.986 2105 N CB 2.028 40.568 38.487 0.088 0.000 1.261 2105 N HN 0.167 nan 8.380 nan 0.000 0.495 2106 P HA 0.121 nan 4.420 nan 0.000 0.515 2106 P C 1.090 178.497 177.300 0.179 0.000 0.906 2106 P CA -0.187 63.005 63.100 0.153 0.000 2.377 2106 P CB 0.721 32.504 31.700 0.138 0.000 1.140 2107 F N 0.907 120.902 119.950 0.074 0.000 2.126 2107 F HA -0.145 4.382 4.527 0.001 0.000 0.299 2107 F C 1.879 177.728 175.800 0.083 0.000 1.096 2107 F CA 1.705 59.746 58.000 0.069 0.000 1.255 2107 F CB -0.867 38.164 39.000 0.052 0.000 0.997 2107 F HN -0.279 nan 8.300 nan 0.000 0.479 2108 L N -0.322 120.993 121.223 0.154 0.000 2.027 2108 L HA -0.200 4.140 4.340 0.001 0.000 0.206 2108 L C 2.790 179.712 176.870 0.086 0.000 1.074 2108 L CA 1.478 56.364 54.840 0.077 0.000 0.745 2108 L CB -0.597 41.558 42.059 0.160 0.000 0.898 2108 L HN 0.070 nan 8.230 nan 0.000 0.433 2109 R N -0.507 120.116 120.500 0.204 0.000 2.091 2109 R HA -0.183 4.157 4.340 0.001 0.000 0.238 2109 R C 2.419 178.884 176.300 0.275 0.000 1.136 2109 R CA 1.954 58.277 56.100 0.372 0.000 0.959 2109 R CB -0.120 30.347 30.300 0.279 0.000 0.856 2109 R HN 0.247 nan 8.270 nan 0.000 0.437 2110 S N 1.019 116.770 115.700 0.085 0.000 2.356 2110 S HA -0.150 4.320 4.470 0.001 0.000 0.223 2110 S C 1.857 176.425 174.600 -0.053 0.000 1.032 2110 S CA 1.162 59.364 58.200 0.003 0.000 1.005 2110 S CB -0.266 62.886 63.200 -0.081 0.000 0.867 2110 S HN 0.317 nan 8.310 nan 0.000 0.449 2111 L N 1.460 122.568 121.223 -0.191 0.000 1.990 2111 L HA -0.176 4.164 4.340 0.001 0.000 0.213 2111 L C 2.013 178.843 176.870 -0.066 0.000 1.072 2111 L CA 1.385 56.098 54.840 -0.211 0.000 0.755 2111 L CB -0.356 41.510 42.059 -0.321 0.000 0.889 2111 L HN 0.294 nan 8.230 nan 0.000 0.432 2112 I N -1.043 119.497 120.570 -0.050 0.000 2.179 2112 I HA -0.315 3.855 4.170 0.001 0.000 0.242 2112 I C 2.541 178.654 176.117 -0.006 0.000 1.088 2112 I CA 1.502 62.722 61.300 -0.135 0.000 1.357 2112 I CB -1.061 36.602 38.000 -0.561 0.000 1.051 2112 I HN 0.430 nan 8.210 nan 0.000 0.409 2113 M N 1.157 120.881 119.600 0.207 0.000 2.202 2113 M HA -0.215 4.266 4.480 0.001 0.000 0.262 2113 M C 2.142 178.509 176.300 0.111 0.000 1.063 2113 M CA 1.769 57.240 55.300 0.285 0.000 1.097 2113 M CB -0.547 32.230 32.600 0.294 0.000 1.382 2113 M HN 0.037 nan 8.290 nan 0.000 0.413 2114 K N -1.462 118.972 120.400 0.057 0.000 2.057 2114 K HA -0.225 4.096 4.320 0.001 0.000 0.207 2114 K C 2.071 178.686 176.600 0.026 0.000 1.049 2114 K CA 1.729 58.023 56.287 0.012 0.000 0.931 2114 K CB -0.489 32.005 32.500 -0.010 0.000 0.714 2114 K HN 0.484 nan 8.250 nan 0.000 0.440 2115 Y N 0.927 121.207 120.300 -0.034 0.000 2.097 2115 Y HA -0.249 4.302 4.550 0.001 0.000 0.282 2115 Y C 1.898 177.800 175.900 0.003 0.000 1.152 2115 Y CA 1.783 59.867 58.100 -0.026 0.000 1.136 2115 Y CB -0.708 37.718 38.460 -0.057 0.000 0.975 2115 Y HN -0.034 nan 8.280 nan 0.000 0.498 2116 V N -0.218 119.548 119.914 -0.248 0.000 2.490 2116 V HA -0.201 3.919 4.120 0.001 0.000 0.250 2116 V C 2.033 178.024 176.094 -0.173 0.000 1.061 2116 V CA 1.907 64.042 62.300 -0.275 0.000 1.064 2116 V CB -0.767 31.076 31.823 0.035 0.000 0.670 2116 V HN 0.424 nan 8.190 nan 0.000 0.461 2117 L N 1.788 122.954 121.223 -0.095 0.000 2.007 2117 L HA -0.038 4.302 4.340 0.001 0.000 0.205 2117 L C 3.048 179.871 176.870 -0.078 0.000 1.073 2117 L CA 2.891 57.689 54.840 -0.070 0.000 0.744 2117 L CB -1.632 40.380 42.059 -0.078 0.000 0.898 2117 L HN 0.716 nan 8.230 nan 0.000 0.435 2118 T N -3.530 110.975 114.554 -0.083 0.000 2.962 2118 T HA -0.117 4.233 4.350 0.001 0.000 0.270 2118 T C 1.947 176.628 174.700 -0.032 0.000 1.088 2118 T CA 1.166 63.248 62.100 -0.029 0.000 1.127 2118 T CB -0.611 68.255 68.868 -0.003 0.000 0.883 2118 T HN 0.381 nan 8.240 nan 0.000 0.493 2119 S N 1.266 116.854 115.700 -0.186 0.000 2.423 2119 S HA -0.003 4.467 4.470 0.001 0.000 0.231 2119 S C 2.138 176.746 174.600 0.014 0.000 1.014 2119 S CA 0.166 58.268 58.200 -0.164 0.000 0.965 2119 S CB -0.296 62.571 63.200 -0.555 0.000 0.785 2119 S HN 0.275 nan 8.310 nan 0.000 0.495 2120 R N 1.741 122.220 120.500 -0.035 0.000 2.066 2120 R HA 0.282 4.622 4.340 0.001 0.000 0.224 2120 R C 2.592 178.860 176.300 -0.055 0.000 1.122 2120 R CA 0.914 56.987 56.100 -0.045 0.000 0.974 2120 R CB -1.698 28.582 30.300 -0.032 0.000 0.871 2120 R HN 0.453 nan 8.270 nan 0.000 0.435 2121 S N 1.130 116.853 115.700 0.038 0.000 2.369 2121 S HA -0.314 4.156 4.470 0.001 0.000 0.299 2121 S C 1.715 176.332 174.600 0.028 0.000 1.123 2121 S CA 2.369 60.622 58.200 0.088 0.000 1.430 2121 S CB -1.139 62.154 63.200 0.154 0.000 1.297 2121 S HN 0.653 nan 8.310 nan 0.000 0.463 2122 Y N 1.021 121.310 120.300 -0.018 0.000 2.723 2122 Y HA -0.023 4.527 4.550 0.001 0.000 0.286 2122 Y C 1.507 177.361 175.900 -0.076 0.000 1.159 2122 Y CA 0.310 58.386 58.100 -0.040 0.000 1.442 2122 Y CB -0.235 38.206 38.460 -0.031 0.000 0.959 2122 Y HN 0.136 nan 8.280 nan 0.000 0.581 2123 L N 0.488 121.357 121.223 -0.591 0.000 2.202 2123 L HA 0.126 4.466 4.340 0.001 0.000 0.205 2123 L C 0.923 177.554 176.870 -0.399 0.000 1.083 2123 L CA 0.325 54.785 54.840 -0.633 0.000 0.790 2123 L CB -0.542 41.171 42.059 -0.576 0.000 0.942 2123 L HN 0.235 nan 8.230 nan 0.000 0.452 2124 I N 0.507 120.928 120.570 -0.249 0.000 2.440 2124 I HA 0.139 4.309 4.170 0.001 0.000 0.294 2124 I C -0.293 175.754 176.117 -0.116 0.000 0.995 2124 I CA -0.794 60.413 61.300 -0.156 0.000 1.306 2124 I CB 0.841 38.789 38.000 -0.087 0.000 1.407 2124 I HN -0.015 nan 8.210 nan 0.000 0.501 2125 D N 3.944 124.295 120.400 -0.081 0.000 2.339 2125 D HA 0.237 4.878 4.640 0.001 0.000 0.256 2125 D C 0.023 176.270 176.300 -0.089 0.000 1.214 2125 D CA 0.447 54.395 54.000 -0.087 0.000 0.877 2125 D CB 0.808 41.555 40.800 -0.090 0.000 1.111 2125 D HN 0.415 nan 8.370 nan 0.000 0.478 2126 S N 2.763 118.398 115.700 -0.109 0.000 2.689 2126 S HA 0.419 4.890 4.470 0.001 0.000 0.274 2126 S C -2.758 171.772 174.600 -0.116 0.000 1.176 2126 S CA -1.342 56.787 58.200 -0.119 0.000 1.014 2126 S CB 0.794 63.894 63.200 -0.168 0.000 1.071 2126 S HN -0.001 nan 8.310 nan 0.000 0.478 2127 P HA 0.169 nan 4.420 nan 0.000 0.266 2127 P C -2.481 174.786 177.300 -0.055 0.000 1.186 2127 P CA -0.560 62.522 63.100 -0.030 0.000 0.767 2127 P CB -0.172 31.515 31.700 -0.021 0.000 0.820 2128 P HA 0.015 nan 4.420 nan 0.000 0.272 2128 P C 0.166 177.376 177.300 -0.150 0.000 1.240 2128 P CA 0.031 63.072 63.100 -0.098 0.000 0.791 2128 P CB 0.656 32.279 31.700 -0.127 0.000 0.978 2129 T N -1.342 113.053 114.554 -0.265 0.000 3.330 2129 T HA 0.199 4.550 4.350 0.001 0.000 0.185 2129 T C 0.643 175.038 174.700 -0.507 0.000 0.874 2129 T CA 0.070 61.863 62.100 -0.512 0.000 1.268 2129 T CB -0.886 67.422 68.868 -0.933 0.000 1.866 2129 T HN 0.274 nan 8.240 nan 0.000 0.395 2130 Y N 3.492 123.745 120.300 -0.079 0.000 2.281 2130 Y HA 0.517 5.068 4.550 0.001 0.000 0.337 2130 Y C 1.128 176.952 175.900 -0.127 0.000 1.304 2130 Y CA -0.662 57.378 58.100 -0.100 0.000 1.465 2130 Y CB 0.352 38.770 38.460 -0.070 0.000 1.350 2130 Y HN 0.745 nan 8.280 nan 0.000 0.575 2131 N N -2.786 115.932 118.700 0.030 0.000 3.106 2131 N HA 0.206 4.947 4.740 0.001 0.000 0.253 2131 N C -0.293 175.161 175.510 -0.093 0.000 1.506 2131 N CA -0.726 52.257 53.050 -0.111 0.000 0.876 2131 N CB 1.704 39.940 38.487 -0.418 0.000 1.452 2131 N HN 0.463 nan 8.380 nan 0.000 0.542 2132 V N 0.550 120.388 119.914 -0.127 0.000 2.370 2132 V HA -0.289 3.831 4.120 0.001 0.000 0.252 2132 V C 1.491 177.580 176.094 -0.009 0.000 1.068 2132 V CA 2.018 64.273 62.300 -0.075 0.000 1.061 2132 V CB -1.109 30.623 31.823 -0.151 0.000 0.656 2132 V HN 0.692 nan 8.190 nan 0.000 0.455 2133 H N -3.335 115.684 119.070 -0.085 0.000 2.563 2133 H HA 0.189 4.746 4.556 0.001 0.000 0.264 2133 H C -0.404 174.565 175.328 -0.597 0.000 0.957 2133 H CA 0.019 55.917 56.048 -0.251 0.000 1.173 2133 H CB 0.314 29.965 29.762 -0.185 0.000 1.420 2133 H HN 0.482 nan 8.280 nan 0.000 0.551 2134 Y N -0.087 120.120 120.300 -0.154 0.000 2.332 2134 Y HA 0.294 4.845 4.550 0.001 0.000 0.326 2134 Y C 0.922 176.691 175.900 -0.219 0.000 0.978 2134 Y CA -0.823 57.069 58.100 -0.346 0.000 1.205 2134 Y CB 1.853 40.041 38.460 -0.455 0.000 1.131 2134 Y HN 0.061 nan 8.280 nan 0.000 0.462 2135 G N 2.479 111.198 108.800 -0.135 0.000 3.088 2135 G HA2 0.092 4.053 3.960 0.001 0.000 0.212 2135 G HA3 0.092 4.053 3.960 0.001 0.000 0.212 2135 G C -0.440 174.515 174.900 0.092 0.000 1.173 2135 G CA 0.265 45.322 45.100 -0.072 0.000 0.779 2135 G HN 0.574 nan 8.290 nan 0.000 0.540 2136 Y N -1.917 118.583 120.300 0.333 0.000 2.562 2136 Y HA 0.630 5.181 4.550 0.001 0.000 0.345 2136 Y C -0.229 175.860 175.900 0.314 0.000 1.045 2136 Y CA -2.381 55.933 58.100 0.357 0.000 1.028 2136 Y CB 0.831 39.413 38.460 0.203 0.000 1.297 2136 Y HN -0.238 nan 8.280 nan 0.000 0.463 2137 K N 2.358 122.935 120.400 0.294 0.000 2.489 2137 K HA 0.413 4.733 4.320 0.001 0.000 0.278 2137 K C -0.279 176.404 176.600 0.138 0.000 1.000 2137 K CA 0.337 56.649 56.287 0.041 0.000 1.012 2137 K CB 0.632 33.121 32.500 -0.019 0.000 0.903 2137 K HN 0.957 nan 8.250 nan 0.000 0.485 2138 S N 1.007 116.677 115.700 -0.049 0.000 2.596 2138 S HA 0.177 4.648 4.470 0.001 0.000 0.270 2138 S C 0.052 174.613 174.600 -0.065 0.000 1.155 2138 S CA -1.113 57.076 58.200 -0.018 0.000 0.827 2138 S CB 0.813 63.882 63.200 -0.219 0.000 1.130 2138 S HN 0.890 nan 8.310 nan 0.000 0.467 2139 W N 1.196 122.450 121.300 -0.076 0.000 2.467 2139 W HA -0.026 4.635 4.660 0.001 0.000 0.275 2139 W C 1.499 177.995 176.519 -0.038 0.000 1.239 2139 W CA 2.016 59.362 57.345 0.001 0.000 1.266 2139 W CB -0.033 29.441 29.460 0.024 0.000 1.112 2139 W HN 1.054 nan 8.180 nan 0.000 0.576 2140 E N 0.970 121.081 120.200 -0.148 0.000 2.047 2140 E HA -0.144 4.206 4.350 0.001 0.000 0.191 2140 E C 2.245 178.590 176.600 -0.425 0.000 0.987 2140 E CA 2.344 58.600 56.400 -0.240 0.000 0.799 2140 E CB -0.722 28.809 29.700 -0.283 0.000 0.752 2140 E HN 0.034 nan 8.360 nan 0.000 0.449 2141 A N 0.067 122.473 122.820 -0.689 0.000 1.902 2141 A HA -0.133 4.188 4.320 0.001 0.000 0.217 2141 A C 2.226 179.560 177.584 -0.416 0.000 1.181 2141 A CA 1.553 53.240 52.037 -0.583 0.000 0.623 2141 A CB -1.018 17.660 19.000 -0.536 0.000 0.818 2141 A HN 0.497 nan 8.150 nan 0.000 0.443 2142 F N 2.027 121.652 119.950 -0.542 0.000 2.084 2142 F HA -0.170 4.358 4.527 0.001 0.000 0.296 2142 F C 2.697 178.153 175.800 -0.574 0.000 1.111 2142 F CA 2.191 59.841 58.000 -0.583 0.000 1.224 2142 F CB -0.525 38.003 39.000 -0.787 0.000 0.991 2142 F HN 0.287 nan 8.300 nan 0.000 0.471 2143 S N -0.456 114.683 115.700 -0.934 0.000 2.414 2143 S HA -0.101 4.370 4.470 0.001 0.000 0.227 2143 S C 1.088 175.430 174.600 -0.431 0.000 1.022 2143 S CA 0.391 58.108 58.200 -0.804 0.000 0.958 2143 S CB -0.876 62.057 63.200 -0.445 0.000 0.797 2143 S HN 0.407 nan 8.310 nan 0.000 0.493 2144 N N 2.072 120.623 118.700 -0.247 0.000 2.406 2144 N HA 0.169 4.910 4.740 0.001 0.000 0.269 2144 N C 0.435 175.937 175.510 -0.013 0.000 1.210 2144 N CA -0.049 52.989 53.050 -0.020 0.000 0.966 2144 N CB 0.223 38.851 38.487 0.235 0.000 1.293 2144 N HN 0.424 nan 8.380 nan 0.000 0.491 2145 L N 1.510 122.695 121.223 -0.063 0.000 2.622 2145 L HA -0.022 4.318 4.340 0.001 0.000 0.233 2145 L C 1.727 178.681 176.870 0.140 0.000 1.156 2145 L CA 0.285 55.122 54.840 -0.005 0.000 0.866 2145 L CB -0.098 41.950 42.059 -0.018 0.000 0.980 2145 L HN 0.378 nan 8.230 nan 0.000 0.448 2146 S N -1.550 114.199 115.700 0.082 0.000 2.562 2146 S HA 0.053 4.524 4.470 0.001 0.000 0.221 2146 S C 0.331 174.924 174.600 -0.012 0.000 0.975 2146 S CA 0.197 58.414 58.200 0.029 0.000 0.918 2146 S CB -0.078 63.138 63.200 0.027 0.000 0.772 2146 S HN 0.236 nan 8.310 nan 0.000 0.531 2147 Y N -0.086 120.171 120.300 -0.071 0.000 2.376 2147 Y HA 0.409 4.959 4.550 0.001 0.000 0.325 2147 Y C -0.092 175.722 175.900 -0.144 0.000 1.199 2147 Y CA -1.054 56.887 58.100 -0.264 0.000 1.206 2147 Y CB 0.565 38.860 38.460 -0.276 0.000 1.229 2147 Y HN 0.019 nan 8.280 nan 0.000 0.480 2148 Y N 0.694 121.041 120.300 0.078 0.000 2.304 2148 Y HA 0.169 4.720 4.550 0.001 0.000 0.327 2148 Y C 0.885 176.817 175.900 0.054 0.000 1.209 2148 Y CA -0.206 57.951 58.100 0.095 0.000 1.299 2148 Y CB 1.138 39.619 38.460 0.035 0.000 1.249 2148 Y HN 0.523 nan 8.280 nan 0.000 0.519 2149 T N 3.150 117.836 114.554 0.220 0.000 2.788 2149 T HA 0.426 4.777 4.350 0.001 0.000 0.280 2149 T C -0.376 174.386 174.700 0.102 0.000 0.984 2149 T CA -0.657 61.492 62.100 0.082 0.000 0.972 2149 T CB 0.346 69.227 68.868 0.021 0.000 1.039 2149 T HN 0.434 nan 8.240 nan 0.000 0.530 2150 R N 0.968 121.528 120.500 0.100 0.000 2.561 2150 R HA 0.567 4.908 4.340 0.001 0.000 0.297 2150 R C 0.711 177.143 176.300 0.221 0.000 0.969 2150 R CA -0.440 55.738 56.100 0.131 0.000 0.879 2150 R CB 1.482 31.843 30.300 0.103 0.000 1.178 2150 R HN 0.736 nan 8.270 nan 0.000 0.445 2151 A N 3.789 126.783 122.820 0.290 0.000 1.968 2151 A HA 0.105 4.425 4.320 0.001 0.000 0.217 2151 A C 0.698 178.410 177.584 0.213 0.000 1.169 2151 A CA 1.008 53.262 52.037 0.361 0.000 0.638 2151 A CB 0.211 19.617 19.000 0.678 0.000 0.812 2151 A HN 0.469 nan 8.150 nan 0.000 0.446 2152 L N 0.525 121.823 121.223 0.124 0.000 2.386 2152 L HA 0.362 4.702 4.340 0.001 0.000 0.271 2152 L C -2.531 174.228 176.870 -0.186 0.000 0.993 2152 L CA -2.506 52.239 54.840 -0.159 0.000 0.819 2152 L CB 2.555 44.276 42.059 -0.564 0.000 1.294 2152 L HN 0.031 nan 8.230 nan 0.000 0.414 2153 P HA 0.113 nan 4.420 nan 0.000 0.269 2153 P C -2.664 174.505 177.300 -0.218 0.000 1.217 2153 P CA -1.012 61.814 63.100 -0.457 0.000 0.783 2153 P CB -0.393 30.797 31.700 -0.850 0.000 0.898 2154 P HA 0.041 nan 4.420 nan 0.000 0.273 2154 P C -0.368 176.909 177.300 -0.038 0.000 1.250 2154 P CA -0.072 63.013 63.100 -0.025 0.000 0.793 2154 P CB 0.397 32.112 31.700 0.026 0.000 1.011 2155 V N 1.106 121.027 119.914 0.012 0.000 2.488 2155 V HA 0.232 4.353 4.120 0.001 0.000 0.277 2155 V C 1.071 177.175 176.094 0.015 0.000 1.046 2155 V CA -0.400 61.902 62.300 0.004 0.000 0.986 2155 V CB 0.107 31.951 31.823 0.034 0.000 0.989 2155 V HN 0.733 nan 8.190 nan 0.000 0.475 2156 A N 3.802 126.625 122.820 0.004 0.000 2.565 2156 A HA 0.044 4.365 4.320 0.001 0.000 0.237 2156 A C 1.200 178.802 177.584 0.030 0.000 1.053 2156 A CA -0.155 51.894 52.037 0.020 0.000 0.755 2156 A CB -0.123 18.890 19.000 0.021 0.000 0.980 2156 A HN 0.911 nan 8.150 nan 0.000 0.506 2157 D N 1.055 121.476 120.400 0.035 0.000 2.228 2157 D HA -0.157 4.483 4.640 0.001 0.000 0.203 2157 D C 1.161 177.483 176.300 0.036 0.000 0.988 2157 D CA 1.962 55.984 54.000 0.037 0.000 0.864 2157 D CB -0.053 40.767 40.800 0.034 0.000 0.928 2157 D HN 0.821 nan 8.370 nan 0.000 0.469 2158 D N -0.570 119.852 120.400 0.036 0.000 2.328 2158 D HA -0.045 4.595 4.640 0.001 0.000 0.226 2158 D C 0.037 176.358 176.300 0.034 0.000 1.066 2158 D CA -0.321 53.701 54.000 0.037 0.000 0.861 2158 D CB -0.774 40.053 40.800 0.044 0.000 0.912 2158 D HN 0.033 nan 8.370 nan 0.000 0.521 2159 c N 2.190 120.809 118.600 0.031 0.000 2.676 2159 c HA 0.153 4.724 4.570 0.001 0.000 0.416 2159 c C -0.244 173.863 174.090 0.029 0.000 1.299 2159 c CA -1.028 55.317 56.329 0.026 0.000 2.048 2159 c CB 1.209 43.731 42.510 0.021 0.000 2.713 2159 c HN 0.310 nan 8.230 nan 0.000 0.624 2160 P HA -0.064 nan 4.420 nan 0.000 0.214 2160 P C 0.535 177.854 177.300 0.031 0.000 1.162 2160 P CA 1.713 64.830 63.100 0.028 0.000 0.879 2160 P CB -0.268 31.448 31.700 0.026 0.000 0.786 2161 T N -5.300 109.274 114.554 0.034 0.000 2.952 2161 T HA 0.418 4.769 4.350 0.001 0.000 0.286 2161 T C -2.161 172.568 174.700 0.048 0.000 1.024 2161 T CA -2.218 59.907 62.100 0.042 0.000 1.029 2161 T CB 1.624 70.520 68.868 0.046 0.000 1.094 2161 T HN -0.224 nan 8.240 nan 0.000 0.515 2162 P HA -0.014 nan 4.420 nan 0.000 0.218 2162 P C 1.212 178.561 177.300 0.081 0.000 1.148 2162 P CA 1.063 64.207 63.100 0.072 0.000 0.822 2162 P CB 0.022 31.771 31.700 0.083 0.000 0.784 2163 M N -2.406 117.242 119.600 0.079 0.000 2.431 2163 M HA 0.310 4.790 4.480 0.001 0.000 0.237 2163 M C 1.262 177.585 176.300 0.038 0.000 1.130 2163 M CA 0.542 55.887 55.300 0.074 0.000 1.002 2163 M CB -0.285 32.367 32.600 0.088 0.000 1.524 2163 M HN 0.094 nan 8.290 nan 0.000 0.482 2164 G N 0.632 109.451 108.800 0.032 0.000 1.819 2164 G HA2 -0.218 3.743 3.960 0.001 0.000 0.217 2164 G HA3 -0.218 3.743 3.960 0.001 0.000 0.217 2164 G C 0.250 175.159 174.900 0.015 0.000 1.982 2164 G CA 0.250 45.356 45.100 0.010 0.000 1.468 2164 G HN 0.386 nan 8.290 nan 0.000 0.474 2165 V N -1.339 118.582 119.914 0.012 0.000 3.451 2165 V HA 0.576 4.696 4.120 0.001 0.000 0.288 2165 V C 0.536 176.646 176.094 0.026 0.000 1.502 2165 V CA 0.994 63.304 62.300 0.017 0.000 1.026 2165 V CB 0.415 32.242 31.823 0.008 0.000 0.840 2165 V HN 0.402 nan 8.190 nan 0.000 0.437 2166 K N 1.266 121.685 120.400 0.032 0.000 2.087 2166 K HA 0.677 4.998 4.320 0.001 0.000 0.255 2166 K C 0.654 177.293 176.600 0.065 0.000 0.988 2166 K CA 0.536 56.850 56.287 0.045 0.000 0.915 2166 K CB 1.332 33.858 32.500 0.044 0.000 1.043 2166 K HN 0.683 nan 8.250 nan 0.000 0.457 2167 G N 1.395 110.240 108.800 0.075 0.000 2.681 2167 G HA2 -0.226 3.735 3.960 0.001 0.000 0.220 2167 G HA3 -0.226 3.735 3.960 0.001 0.000 0.220 2167 G C -0.822 174.117 174.900 0.064 0.000 1.353 2167 G CA -0.796 44.358 45.100 0.090 0.000 0.872 2167 G HN 0.617 nan 8.290 nan 0.000 0.557 2168 N N -0.128 118.607 118.700 0.058 0.000 2.478 2168 N HA 0.303 5.043 4.740 0.001 0.000 0.275 2168 N C 1.348 176.879 175.510 0.035 0.000 1.221 2168 N CA -0.366 52.707 53.050 0.038 0.000 0.979 2168 N CB 1.118 39.619 38.487 0.023 0.000 1.202 2168 N HN 0.616 nan 8.380 nan 0.000 0.564 2169 K N 0.355 120.771 120.400 0.026 0.000 2.362 2169 K HA -0.101 4.219 4.320 0.001 0.000 0.202 2169 K C -0.150 176.465 176.600 0.026 0.000 1.045 2169 K CA 1.286 57.588 56.287 0.025 0.000 0.936 2169 K CB 0.104 32.616 32.500 0.019 0.000 0.747 2169 K HN 0.493 nan 8.250 nan 0.000 0.467 2170 E N -0.079 120.133 120.200 0.021 0.000 2.340 2170 E HA 0.231 4.581 4.350 0.001 0.000 0.273 2170 E C -1.406 175.200 176.600 0.011 0.000 0.891 2170 E CA -0.817 55.592 56.400 0.016 0.000 0.757 2170 E CB 1.700 31.401 29.700 0.001 0.000 1.231 2170 E HN -0.174 nan 8.360 nan 0.000 0.439 2171 L N 2.934 124.168 121.223 0.017 0.000 2.439 2171 L HA 0.380 4.721 4.340 0.001 0.000 0.261 2171 L C -1.995 174.824 176.870 -0.085 0.000 1.153 2171 L CA -2.116 52.728 54.840 0.007 0.000 0.808 2171 L CB -0.340 41.764 42.059 0.075 0.000 1.126 2171 L HN 0.443 nan 8.230 nan 0.000 0.460 2172 P HA -0.006 nan 4.420 nan 0.000 0.268 2172 P C -0.568 176.632 177.300 -0.167 0.000 1.205 2172 P CA -0.465 62.471 63.100 -0.273 0.000 0.771 2172 P CB 0.351 31.721 31.700 -0.550 0.000 0.858 2173 D N 1.732 122.063 120.400 -0.116 0.000 2.658 2173 D HA -0.091 4.549 4.640 0.001 0.000 0.230 2173 D C 1.152 177.418 176.300 -0.056 0.000 1.118 2173 D CA 0.571 54.529 54.000 -0.069 0.000 0.848 2173 D CB 0.664 41.428 40.800 -0.060 0.000 1.160 2173 D HN 0.304 nan 8.370 nan 0.000 0.497 2174 S N 3.880 119.565 115.700 -0.025 0.000 2.423 2174 S HA -0.166 4.304 4.470 0.001 0.000 0.231 2174 S C 1.749 176.351 174.600 0.003 0.000 1.014 2174 S CA 0.715 58.917 58.200 0.003 0.000 0.965 2174 S CB 0.014 63.222 63.200 0.014 0.000 0.785 2174 S HN 0.614 nan 8.310 nan 0.000 0.495 2175 K N 1.091 121.484 120.400 -0.012 0.000 2.057 2175 K HA -0.095 4.226 4.320 0.001 0.000 0.206 2175 K C 2.091 178.683 176.600 -0.014 0.000 1.050 2175 K CA 1.268 57.548 56.287 -0.011 0.000 0.935 2175 K CB -0.076 32.413 32.500 -0.017 0.000 0.715 2175 K HN 0.242 nan 8.250 nan 0.000 0.439 2176 E N 0.431 120.615 120.200 -0.027 0.000 2.031 2176 E HA -0.159 4.191 4.350 0.001 0.000 0.193 2176 E C 2.112 178.697 176.600 -0.025 0.000 0.994 2176 E CA 1.245 57.623 56.400 -0.036 0.000 0.800 2176 E CB -0.287 29.375 29.700 -0.062 0.000 0.752 2176 E HN 0.133 nan 8.360 nan 0.000 0.447 2177 V N 2.280 122.185 119.914 -0.015 0.000 2.295 2177 V HA -0.238 3.882 4.120 0.001 0.000 0.246 2177 V C 2.619 178.734 176.094 0.034 0.000 1.049 2177 V CA 1.390 63.708 62.300 0.029 0.000 1.024 2177 V CB -0.653 31.221 31.823 0.086 0.000 0.648 2177 V HN 0.253 nan 8.190 nan 0.000 0.447 2178 L N 0.092 121.335 121.223 0.033 0.000 1.963 2178 L HA -0.289 4.052 4.340 0.001 0.000 0.220 2178 L C 2.779 179.658 176.870 0.016 0.000 1.076 2178 L CA 2.470 57.330 54.840 0.033 0.000 0.772 2178 L CB -0.448 41.627 42.059 0.027 0.000 0.892 2178 L HN 0.469 nan 8.230 nan 0.000 0.435 2179 E N -0.408 119.794 120.200 0.004 0.000 2.031 2179 E HA -0.242 4.108 4.350 0.001 0.000 0.193 2179 E C 2.138 178.734 176.600 -0.006 0.000 0.994 2179 E CA 1.229 57.627 56.400 -0.004 0.000 0.800 2179 E CB -0.110 29.584 29.700 -0.010 0.000 0.752 2179 E HN 0.489 nan 8.360 nan 0.000 0.447 2180 K N 0.510 120.905 120.400 -0.009 0.000 2.063 2180 K HA -0.130 4.191 4.320 0.001 0.000 0.208 2180 K C 2.104 178.698 176.600 -0.010 0.000 1.048 2180 K CA 1.898 58.177 56.287 -0.014 0.000 0.928 2180 K CB 0.064 32.552 32.500 -0.021 0.000 0.713 2180 K HN 0.221 nan 8.250 nan 0.000 0.442 2181 V N -3.452 116.461 119.914 -0.002 0.000 3.382 2181 V HA 0.155 4.276 4.120 0.001 0.000 0.296 2181 V C 1.335 177.423 176.094 -0.009 0.000 1.529 2181 V CA -0.114 62.183 62.300 -0.005 0.000 1.048 2181 V CB -0.061 31.763 31.823 0.001 0.000 0.878 2181 V HN 0.044 nan 8.190 nan 0.000 0.442 2182 L N -0.150 121.073 121.223 0.000 0.000 2.445 2182 L HA 0.414 4.754 4.340 0.001 0.000 0.207 2182 L C 0.993 177.871 176.870 0.014 0.000 1.053 2182 L CA 0.224 55.066 54.840 0.002 0.000 0.841 2182 L CB 0.209 42.279 42.059 0.017 0.000 1.074 2182 L HN 0.203 nan 8.230 nan 0.000 0.479 2183 L N 1.537 122.767 121.223 0.013 0.000 2.483 2183 L HA 0.025 4.366 4.340 0.001 0.000 0.276 2183 L C 0.788 177.665 176.870 0.012 0.000 1.213 2183 L CA 0.204 55.052 54.840 0.013 0.000 0.843 2183 L CB 0.254 42.315 42.059 0.004 0.000 1.107 2183 L HN 0.223 nan 8.230 nan 0.000 0.487 2184 R N 2.789 123.301 120.500 0.021 0.000 2.340 2184 R HA 0.205 4.546 4.340 0.001 0.000 0.300 2184 R C 0.435 176.748 176.300 0.023 0.000 1.069 2184 R CA -0.567 55.550 56.100 0.028 0.000 0.984 2184 R CB 0.859 31.197 30.300 0.063 0.000 1.003 2184 R HN 0.616 nan 8.270 nan 0.000 0.459 2185 R N 3.155 123.666 120.500 0.017 0.000 2.015 2185 R HA 0.160 4.500 4.340 0.001 0.000 0.212 2185 R C 0.048 176.368 176.300 0.032 0.000 1.304 2185 R CA 0.740 56.849 56.100 0.015 0.000 1.040 2185 R CB -0.329 29.974 30.300 0.004 0.000 0.915 2185 R HN 0.639 nan 8.270 nan 0.000 0.465 2186 E N 0.888 121.107 120.200 0.032 0.000 2.179 2186 E HA 0.214 4.565 4.350 0.001 0.000 0.275 2186 E C -1.199 175.452 176.600 0.086 0.000 0.945 2186 E CA -0.794 55.641 56.400 0.058 0.000 0.792 2186 E CB 1.636 31.356 29.700 0.033 0.000 1.125 2186 E HN 0.013 nan 8.360 nan 0.000 0.397 2187 F N 3.687 123.627 119.950 -0.017 0.000 2.612 2187 F HA 0.034 4.561 4.527 0.001 0.000 0.389 2187 F C -0.342 175.445 175.800 -0.022 0.000 1.055 2187 F CA 0.241 58.230 58.000 -0.018 0.000 1.232 2187 F CB 0.255 39.241 39.000 -0.022 0.000 1.044 2187 F HN 0.352 nan 8.300 nan 0.000 0.560 2188 I N 9.314 129.493 120.570 -0.653 0.000 2.330 2188 I HA 0.252 4.422 4.170 0.001 0.000 0.286 2188 I C -2.065 173.482 176.117 -0.950 0.000 1.025 2188 I CA -2.206 58.756 61.300 -0.565 0.000 1.197 2188 I CB 1.057 38.867 38.000 -0.317 0.000 1.358 2188 I HN 0.426 nan 8.210 nan 0.000 0.467 2189 P HA 0.029 nan 4.420 nan 0.000 0.275 2189 P C -0.773 176.329 177.300 -0.329 0.000 1.228 2189 P CA -0.234 62.523 63.100 -0.572 0.000 0.786 2189 P CB 0.857 32.460 31.700 -0.162 0.000 0.927 2190 D N 4.048 124.307 120.400 -0.235 0.000 2.401 2190 D HA 0.031 4.672 4.640 0.001 0.000 0.254 2190 D C -1.138 175.052 176.300 -0.183 0.000 1.192 2190 D CA -1.941 51.925 54.000 -0.223 0.000 0.885 2190 D CB 0.359 41.026 40.800 -0.222 0.000 1.147 2190 D HN 0.171 nan 8.370 nan 0.000 0.478 2191 P HA -0.178 nan 4.420 nan 0.000 0.219 2191 P C 0.705 177.911 177.300 -0.156 0.000 1.146 2191 P CA 1.127 64.135 63.100 -0.154 0.000 0.808 2191 P CB 0.223 31.832 31.700 -0.151 0.000 0.779 2192 Q N -1.124 118.542 119.800 -0.223 0.000 2.444 2192 Q HA 0.165 4.505 4.340 0.001 0.000 0.206 2192 Q C 1.231 177.163 176.000 -0.114 0.000 0.948 2192 Q CA 0.625 56.281 55.803 -0.245 0.000 0.946 2192 Q CB -0.289 28.173 28.738 -0.459 0.000 1.027 2192 Q HN 0.299 nan 8.270 nan 0.000 0.513 2193 G N 1.096 109.853 108.800 -0.073 0.000 2.143 2193 G HA2 -0.265 3.695 3.960 0.001 0.000 0.249 2193 G HA3 -0.265 3.695 3.960 0.001 0.000 0.249 2193 G C 0.086 175.009 174.900 0.039 0.000 0.981 2193 G CA 0.227 45.333 45.100 0.010 0.000 0.665 2193 G HN 0.301 nan 8.290 nan 0.000 0.528 2194 S N 1.014 116.713 115.700 -0.002 0.000 2.558 2194 S HA 0.361 4.831 4.470 0.001 0.000 0.291 2194 S C 0.843 175.466 174.600 0.038 0.000 1.306 2194 S CA 0.745 58.906 58.200 -0.065 0.000 1.056 2194 S CB 0.654 63.693 63.200 -0.267 0.000 0.836 2194 S HN 1.026 nan 8.310 nan 0.000 0.504 2195 N N 1.328 120.099 118.700 0.117 0.000 2.989 2195 N HA 0.392 5.133 4.740 0.001 0.000 0.338 2195 N C 0.433 176.093 175.510 0.249 0.000 1.369 2195 N CA -0.898 52.260 53.050 0.179 0.000 0.794 2195 N CB -0.098 38.497 38.487 0.180 0.000 1.359 2195 N HN 0.276 nan 8.380 nan 0.000 0.609 2196 M N -0.461 119.259 119.600 0.200 0.000 2.492 2196 M HA 0.147 4.628 4.480 0.001 0.000 0.262 2196 M C 1.281 177.748 176.300 0.277 0.000 1.090 2196 M CA 0.802 56.165 55.300 0.105 0.000 1.110 2196 M CB -0.988 31.455 32.600 -0.261 0.000 1.407 2196 M HN 0.504 nan 8.290 nan 0.000 0.470 2197 M N -1.042 118.819 119.600 0.435 0.000 2.132 2197 M HA -0.137 4.343 4.480 0.001 0.000 0.263 2197 M C 2.210 178.966 176.300 0.760 0.000 1.065 2197 M CA 1.434 57.117 55.300 0.639 0.000 1.122 2197 M CB -1.319 31.600 32.600 0.532 0.000 1.365 2197 M HN 0.224 nan 8.290 nan 0.000 0.411 2198 F N 0.985 121.209 119.950 0.457 0.000 2.113 2198 F HA -0.068 4.460 4.527 0.001 0.000 0.297 2198 F C 2.270 178.215 175.800 0.242 0.000 1.103 2198 F CA 1.619 59.712 58.000 0.156 0.000 1.248 2198 F CB -0.341 38.606 39.000 -0.088 0.000 0.999 2198 F HN 0.116 nan 8.300 nan 0.000 0.475 2199 A N 0.096 123.120 122.820 0.340 0.000 1.908 2199 A HA -0.207 4.113 4.320 0.001 0.000 0.218 2199 A C 2.040 179.627 177.584 0.005 0.000 1.181 2199 A CA 1.937 54.068 52.037 0.156 0.000 0.627 2199 A CB -1.545 17.497 19.000 0.070 0.000 0.818 2199 A HN 0.462 nan 8.150 nan 0.000 0.445 2200 F N -2.055 118.033 119.950 0.229 0.000 2.367 2200 F HA 0.053 4.580 4.527 0.001 0.000 0.298 2200 F C 1.880 177.827 175.800 0.245 0.000 1.094 2200 F CA 0.853 59.022 58.000 0.282 0.000 1.409 2200 F CB -0.412 38.817 39.000 0.382 0.000 1.064 2200 F HN 0.349 nan 8.300 nan 0.000 0.528 2201 F N 0.441 120.500 119.950 0.182 0.000 2.186 2201 F HA -0.080 4.448 4.527 0.001 0.000 0.299 2201 F C 2.322 178.029 175.800 -0.155 0.000 1.090 2201 F CA 1.154 58.994 58.000 -0.268 0.000 1.307 2201 F CB -0.330 38.553 39.000 -0.194 0.000 1.019 2201 F HN -0.087 nan 8.300 nan 0.000 0.489 2202 A N -0.096 122.819 122.820 0.159 0.000 1.902 2202 A HA -0.265 4.055 4.320 0.001 0.000 0.217 2202 A C 2.058 179.631 177.584 -0.017 0.000 1.181 2202 A CA 1.878 54.021 52.037 0.177 0.000 0.623 2202 A CB -0.956 18.177 19.000 0.222 0.000 0.818 2202 A HN 0.551 nan 8.150 nan 0.000 0.443 2203 Q N -1.004 118.786 119.800 -0.016 0.000 2.046 2203 Q HA -0.200 4.141 4.340 0.001 0.000 0.200 2203 Q C 2.075 177.996 176.000 -0.131 0.000 0.975 2203 Q CA 1.949 57.716 55.803 -0.060 0.000 0.836 2203 Q CB -0.455 28.292 28.738 0.016 0.000 0.896 2203 Q HN 0.826 nan 8.270 nan 0.000 0.428 2204 H N -0.740 118.179 119.070 -0.252 0.000 2.293 2204 H HA -0.156 4.400 4.556 0.001 0.000 0.300 2204 H C 1.851 176.940 175.328 -0.398 0.000 1.082 2204 H CA 1.749 57.549 56.048 -0.413 0.000 1.308 2204 H CB -0.399 29.089 29.762 -0.458 0.000 1.375 2204 H HN 0.420 nan 8.280 nan 0.000 0.495 2205 F N 2.274 121.817 119.950 -0.678 0.000 2.025 2205 F HA -0.252 4.276 4.527 0.001 0.000 0.297 2205 F C 2.856 178.046 175.800 -1.017 0.000 1.132 2205 F CA 2.843 60.347 58.000 -0.826 0.000 1.191 2205 F CB -1.118 37.414 39.000 -0.779 0.000 0.963 2205 F HN 0.273 nan 8.300 nan 0.000 0.481 2206 T N -1.166 112.616 114.554 -1.286 0.000 3.051 2206 T HA 0.009 4.359 4.350 0.001 0.000 0.269 2206 T C 1.941 175.655 174.700 -1.644 0.000 1.127 2206 T CA 0.742 61.592 62.100 -2.084 0.000 1.107 2206 T CB -1.031 66.873 68.868 -1.607 0.000 0.898 2206 T HN 0.353 nan 8.240 nan 0.000 0.517 2207 A N 2.001 124.248 122.820 -0.954 0.000 2.121 2207 A HA -0.078 4.242 4.320 0.001 0.000 0.218 2207 A C 2.467 179.662 177.584 -0.648 0.000 1.154 2207 A CA 1.238 52.952 52.037 -0.539 0.000 0.679 2207 A CB -0.647 18.347 19.000 -0.010 0.000 0.795 2207 A HN 0.840 nan 8.150 nan 0.000 0.458 2208 Q N -0.923 118.273 119.800 -1.007 0.000 2.331 2208 Q HA -0.025 4.315 4.340 0.001 0.000 0.203 2208 Q C 1.430 177.115 176.000 -0.526 0.000 0.944 2208 Q CA 1.440 56.786 55.803 -0.761 0.000 0.892 2208 Q CB -0.399 27.759 28.738 -0.966 0.000 0.983 2208 Q HN 0.833 nan 8.270 nan 0.000 0.482 2209 F N -3.266 116.270 119.950 -0.690 0.000 2.746 2209 F HA 0.478 5.006 4.527 0.001 0.000 0.313 2209 F C -0.111 175.453 175.800 -0.393 0.000 1.095 2209 F CA -1.056 56.600 58.000 -0.573 0.000 1.224 2209 F CB 0.550 39.174 39.000 -0.626 0.000 1.060 2209 F HN -0.217 nan 8.300 nan 0.000 0.584 2210 F N 3.449 123.170 119.950 -0.382 0.000 2.318 2210 F HA 0.469 4.997 4.527 0.001 0.000 0.356 2210 F C -0.258 175.428 175.800 -0.189 0.000 1.109 2210 F CA -1.620 56.258 58.000 -0.204 0.000 1.234 2210 F CB 0.692 39.422 39.000 -0.450 0.000 1.545 2210 F HN -0.050 nan 8.300 nan 0.000 0.534 2211 K N 1.231 121.658 120.400 0.046 0.000 2.762 2211 K HA 0.252 4.572 4.320 0.001 0.000 0.180 2211 K C -0.057 176.477 176.600 -0.110 0.000 1.067 2211 K CA -0.333 55.904 56.287 -0.083 0.000 0.973 2211 K CB 0.812 33.212 32.500 -0.167 0.000 1.290 2211 K HN 0.228 nan 8.250 nan 0.000 0.604 2212 T N 1.268 115.783 114.554 -0.065 0.000 2.905 2212 T HA -0.083 4.268 4.350 0.001 0.000 0.299 2212 T C 0.244 174.686 174.700 -0.430 0.000 1.024 2212 T CA 0.309 62.310 62.100 -0.165 0.000 1.151 2212 T CB 0.261 69.034 68.868 -0.159 0.000 0.987 2212 T HN 0.289 nan 8.240 nan 0.000 0.535 2213 D N 1.563 121.801 120.400 -0.271 0.000 2.563 2213 D HA 0.059 4.700 4.640 0.001 0.000 0.222 2213 D C 1.354 177.539 176.300 -0.192 0.000 1.145 2213 D CA -0.402 53.460 54.000 -0.229 0.000 1.001 2213 D CB -0.051 40.656 40.800 -0.155 0.000 1.049 2213 D HN 0.527 nan 8.370 nan 0.000 0.515 2214 H N 1.841 120.902 119.070 -0.016 0.000 2.394 2214 H HA -0.135 4.422 4.556 0.001 0.000 0.297 2214 H C 1.482 176.785 175.328 -0.042 0.000 1.113 2214 H CA 0.994 57.033 56.048 -0.015 0.000 1.277 2214 H CB 0.341 30.091 29.762 -0.021 0.000 1.370 2214 H HN 0.411 nan 8.280 nan 0.000 0.506 2215 K N 0.615 121.031 120.400 0.027 0.000 2.283 2215 K HA -0.061 4.260 4.320 0.001 0.000 0.202 2215 K C 2.147 178.678 176.600 -0.115 0.000 1.048 2215 K CA 0.574 56.839 56.287 -0.036 0.000 0.948 2215 K CB 0.201 32.665 32.500 -0.060 0.000 0.742 2215 K HN 0.328 nan 8.250 nan 0.000 0.458 2216 R N -0.516 119.867 120.500 -0.195 0.000 2.142 2216 R HA 0.095 4.436 4.340 0.001 0.000 0.204 2216 R C 0.685 176.862 176.300 -0.205 0.000 1.059 2216 R CA 0.591 56.432 56.100 -0.432 0.000 1.055 2216 R CB 0.881 30.616 30.300 -0.941 0.000 0.976 2216 R HN 0.198 nan 8.270 nan 0.000 0.483 2217 G N -0.306 108.524 108.800 0.050 0.000 2.353 2217 G HA2 -0.061 3.900 3.960 0.001 0.000 0.308 2217 G HA3 -0.061 3.900 3.960 0.001 0.000 0.308 2217 G C -2.576 172.490 174.900 0.277 0.000 1.418 2217 G CA -0.937 44.305 45.100 0.237 0.000 0.966 2217 G HN -0.216 nan 8.290 nan 0.000 0.638 2218 P HA -0.009 nan 4.420 nan 0.000 0.219 2218 P C 1.611 179.035 177.300 0.207 0.000 1.146 2218 P CA 1.787 64.979 63.100 0.153 0.000 0.808 2218 P CB 0.043 31.786 31.700 0.072 0.000 0.779 2219 G N -1.957 106.948 108.800 0.175 0.000 3.181 2219 G HA2 0.162 4.122 3.960 0.001 0.000 0.219 2219 G HA3 0.162 4.122 3.960 0.001 0.000 0.219 2219 G C -0.103 174.717 174.900 -0.134 0.000 1.182 2219 G CA -0.134 45.014 45.100 0.079 0.000 0.791 2219 G HN 0.148 nan 8.290 nan 0.000 0.537 2220 F N -0.752 119.218 119.950 0.034 0.000 2.538 2220 F HA 0.660 5.188 4.527 0.001 0.000 0.325 2220 F C 0.357 175.904 175.800 -0.420 0.000 1.066 2220 F CA -0.781 57.081 58.000 -0.229 0.000 0.946 2220 F CB 2.584 41.425 39.000 -0.266 0.000 1.199 2220 F HN -0.138 nan 8.300 nan 0.000 0.473 2221 T N 0.480 114.785 114.554 -0.415 0.000 2.906 2221 T HA 0.442 4.793 4.350 0.001 0.000 0.295 2221 T C 0.366 174.872 174.700 -0.323 0.000 1.075 2221 T CA -0.572 61.189 62.100 -0.565 0.000 1.005 2221 T CB 1.526 69.760 68.868 -1.057 0.000 1.136 2221 T HN 0.730 nan 8.240 nan 0.000 0.498 2222 R N 1.070 121.405 120.500 -0.276 0.000 2.397 2222 R HA 0.259 4.600 4.340 0.001 0.000 0.241 2222 R C 1.166 177.338 176.300 -0.213 0.000 0.914 2222 R CA -0.048 55.929 56.100 -0.205 0.000 1.071 2222 R CB 0.566 30.764 30.300 -0.169 0.000 1.116 2222 R HN 0.638 nan 8.270 nan 0.000 0.524 2223 G N 1.245 109.875 108.800 -0.284 0.000 3.064 2223 G HA2 0.153 4.114 3.960 0.001 0.000 0.286 2223 G HA3 0.153 4.114 3.960 0.001 0.000 0.286 2223 G C 0.749 175.439 174.900 -0.349 0.000 0.834 2223 G CA -0.378 44.557 45.100 -0.276 0.000 1.856 2223 G HN 0.147 nan 8.290 nan 0.000 0.559 2224 L N 1.663 122.772 121.223 -0.189 0.000 2.549 2224 L HA 0.011 4.352 4.340 0.001 0.000 0.229 2224 L C 2.614 179.519 176.870 0.058 0.000 1.158 2224 L CA 0.812 55.618 54.840 -0.056 0.000 0.842 2224 L CB -0.014 42.031 42.059 -0.023 0.000 0.952 2224 L HN 0.528 nan 8.230 nan 0.000 0.452 2225 G N -2.190 106.591 108.800 -0.031 0.000 2.511 2225 G HA2 -0.143 3.818 3.960 0.001 0.000 0.217 2225 G HA3 -0.143 3.818 3.960 0.001 0.000 0.217 2225 G C 0.635 175.580 174.900 0.075 0.000 1.133 2225 G CA -0.144 44.967 45.100 0.018 0.000 0.792 2225 G HN 0.580 nan 8.290 nan 0.000 0.539 2226 H N -0.310 118.713 119.070 -0.078 0.000 2.713 2226 H HA -0.161 4.396 4.556 0.001 0.000 0.311 2226 H C 1.086 176.330 175.328 -0.140 0.000 1.175 2226 H CA 0.983 56.979 56.048 -0.086 0.000 1.143 2226 H CB -1.395 28.315 29.762 -0.086 0.000 1.434 2226 H HN 0.788 nan 8.280 nan 0.000 0.418 2227 G N -1.636 107.104 108.800 -0.101 0.000 2.335 2227 G HA2 0.242 4.203 3.960 0.001 0.000 0.291 2227 G HA3 0.242 4.203 3.960 0.001 0.000 0.291 2227 G C -0.761 174.068 174.900 -0.118 0.000 1.261 2227 G CA -0.309 44.666 45.100 -0.208 0.000 0.871 2227 G HN 0.148 nan 8.290 nan 0.000 0.491 2228 V N 2.321 122.183 119.914 -0.086 0.000 2.229 2228 V HA 0.234 4.354 4.120 0.001 0.000 0.245 2228 V C 0.498 176.612 176.094 0.034 0.000 1.243 2228 V CA 0.981 63.283 62.300 0.003 0.000 1.176 2228 V CB 0.045 31.934 31.823 0.109 0.000 1.323 2228 V HN 0.754 nan 8.190 nan 0.000 0.499 2229 D N 2.774 123.186 120.400 0.021 0.000 2.398 2229 D HA 0.058 4.698 4.640 0.001 0.000 0.210 2229 D C 0.930 177.308 176.300 0.130 0.000 1.094 2229 D CA -0.346 53.692 54.000 0.063 0.000 0.839 2229 D CB 0.153 40.977 40.800 0.040 0.000 0.963 2229 D HN 0.303 nan 8.370 nan 0.000 0.506 2230 L N 0.875 122.178 121.223 0.134 0.000 3.865 2230 L HA -0.308 4.032 4.340 0.001 0.000 0.408 2230 L C 0.638 177.674 176.870 0.278 0.000 1.209 2230 L CA 0.796 55.785 54.840 0.247 0.000 0.940 2230 L CB -2.511 39.682 42.059 0.224 0.000 1.971 2230 L HN 0.336 nan 8.230 nan 0.000 0.899 2231 N N -0.412 118.406 118.700 0.198 0.000 2.512 2231 N HA -0.164 4.577 4.740 0.001 0.000 0.183 2231 N C 1.703 177.251 175.510 0.064 0.000 1.073 2231 N CA 1.352 54.474 53.050 0.120 0.000 0.911 2231 N CB -0.157 38.342 38.487 0.021 0.000 0.964 2231 N HN 0.695 nan 8.380 nan 0.000 0.447 2232 H N -0.856 118.103 119.070 -0.185 0.000 2.555 2232 H HA 0.183 4.739 4.556 0.001 0.000 0.269 2232 H C 1.280 176.532 175.328 -0.126 0.000 0.988 2232 H CA 0.357 56.271 56.048 -0.223 0.000 1.178 2232 H CB -0.183 29.450 29.762 -0.216 0.000 1.373 2232 H HN 0.405 nan 8.280 nan 0.000 0.588 2233 I N -0.913 119.407 120.570 -0.416 0.000 3.443 2233 I HA -0.044 4.127 4.170 0.001 0.000 0.277 2233 I C 1.210 177.066 176.117 -0.435 0.000 1.169 2233 I CA 0.102 61.076 61.300 -0.543 0.000 1.419 2233 I CB 0.124 37.558 38.000 -0.944 0.000 1.331 2233 I HN -0.031 nan 8.210 nan 0.000 0.458 2234 Y N 1.522 121.803 120.300 -0.032 0.000 2.500 2234 Y HA 0.438 4.989 4.550 0.001 0.000 0.270 2234 Y C 1.176 177.091 175.900 0.024 0.000 1.134 2234 Y CA 0.192 58.315 58.100 0.038 0.000 1.293 2234 Y CB -0.172 38.359 38.460 0.120 0.000 1.063 2234 Y HN 0.161 nan 8.280 nan 0.000 0.534 2235 G N 0.506 109.367 108.800 0.102 0.000 2.712 2235 G HA2 -0.179 3.782 3.960 0.001 0.000 0.686 2235 G HA3 -0.179 3.782 3.960 0.001 0.000 0.686 2235 G C 0.221 175.143 174.900 0.036 0.000 1.181 2235 G CA -0.446 44.678 45.100 0.039 0.000 0.762 2235 G HN 0.056 nan 8.290 nan 0.000 0.641 2236 E N -0.570 119.621 120.200 -0.015 0.000 2.152 2236 E HA 0.006 4.357 4.350 0.001 0.000 0.192 2236 E C 1.853 178.439 176.600 -0.023 0.000 0.983 2236 E CA 1.836 58.219 56.400 -0.028 0.000 0.818 2236 E CB 0.060 29.723 29.700 -0.062 0.000 0.758 2236 E HN 0.999 nan 8.360 nan 0.000 0.467 2237 T N -2.776 111.762 114.554 -0.027 0.000 2.932 2237 T HA 0.326 4.676 4.350 0.001 0.000 0.289 2237 T C 1.249 175.911 174.700 -0.063 0.000 1.039 2237 T CA -0.781 61.294 62.100 -0.042 0.000 1.024 2237 T CB 1.529 70.370 68.868 -0.045 0.000 1.090 2237 T HN -0.082 nan 8.240 nan 0.000 0.496 2238 L N 0.460 121.616 121.223 -0.113 0.000 2.012 2238 L HA -0.102 4.239 4.340 0.001 0.000 0.210 2238 L C 2.062 178.770 176.870 -0.270 0.000 1.073 2238 L CA 2.071 56.761 54.840 -0.251 0.000 0.748 2238 L CB -0.584 41.306 42.059 -0.282 0.000 0.891 2238 L HN 0.849 nan 8.230 nan 0.000 0.431 2239 D N -0.845 119.476 120.400 -0.131 0.000 2.133 2239 D HA -0.259 4.381 4.640 0.001 0.000 0.195 2239 D C 2.210 178.521 176.300 0.018 0.000 0.997 2239 D CA 1.404 55.383 54.000 -0.035 0.000 0.840 2239 D CB 0.081 40.872 40.800 -0.015 0.000 0.947 2239 D HN 0.154 nan 8.370 nan 0.000 0.452 2240 R N 0.457 120.955 120.500 -0.003 0.000 2.061 2240 R HA -0.135 4.206 4.340 0.001 0.000 0.230 2240 R C 2.249 178.579 176.300 0.050 0.000 1.140 2240 R CA 1.468 57.582 56.100 0.023 0.000 0.940 2240 R CB -0.262 30.041 30.300 0.005 0.000 0.839 2240 R HN 0.150 nan 8.270 nan 0.000 0.429 2241 Q N -0.584 119.235 119.800 0.031 0.000 2.096 2241 Q HA -0.284 4.057 4.340 0.001 0.000 0.208 2241 Q C 1.718 177.771 176.000 0.089 0.000 0.993 2241 Q CA 2.137 57.972 55.803 0.053 0.000 0.862 2241 Q CB -0.219 28.524 28.738 0.008 0.000 0.915 2241 Q HN 0.546 nan 8.270 nan 0.000 0.416 2242 H N 0.311 119.382 119.070 0.001 0.000 2.387 2242 H HA -0.051 4.506 4.556 0.001 0.000 0.299 2242 H C 1.854 177.267 175.328 0.143 0.000 1.099 2242 H CA 1.559 57.677 56.048 0.117 0.000 1.315 2242 H CB 0.024 29.910 29.762 0.206 0.000 1.380 2242 H HN 0.274 nan 8.280 nan 0.000 0.513 2243 K N -0.046 120.479 120.400 0.208 0.000 2.288 2243 K HA 0.019 4.339 4.320 0.001 0.000 0.201 2243 K C 1.749 178.406 176.600 0.094 0.000 1.048 2243 K CA 0.498 56.868 56.287 0.139 0.000 0.956 2243 K CB 0.217 32.775 32.500 0.097 0.000 0.746 2243 K HN 0.202 nan 8.250 nan 0.000 0.461 2244 L N 0.005 121.268 121.223 0.066 0.000 2.529 2244 L HA 0.091 4.431 4.340 0.001 0.000 0.223 2244 L C 0.588 177.458 176.870 -0.000 0.000 1.113 2244 L CA -0.014 54.855 54.840 0.048 0.000 0.861 2244 L CB 0.136 42.230 42.059 0.059 0.000 1.012 2244 L HN -0.006 nan 8.230 nan 0.000 0.461 2245 R N -0.045 120.381 120.500 -0.123 0.000 2.500 2245 R HA 0.144 4.485 4.340 0.001 0.000 0.275 2245 R C 0.734 176.877 176.300 -0.260 0.000 1.051 2245 R CA -0.439 55.458 56.100 -0.338 0.000 1.088 2245 R CB 1.360 31.093 30.300 -0.945 0.000 1.063 2245 R HN -0.087 nan 8.270 nan 0.000 0.511 2246 L N 2.258 123.384 121.223 -0.161 0.000 2.307 2246 L HA 0.173 4.513 4.340 0.001 0.000 0.211 2246 L C 0.032 176.951 176.870 0.083 0.000 1.099 2246 L CA 1.052 55.899 54.840 0.011 0.000 0.816 2246 L CB -0.105 42.014 42.059 0.100 0.000 0.952 2246 L HN 0.793 nan 8.230 nan 0.000 0.455 2247 F N -0.470 119.496 119.950 0.026 0.000 3.080 2247 F HA -0.271 4.257 4.527 0.001 0.000 0.292 2247 F C 0.575 176.396 175.800 0.036 0.000 0.891 2247 F CA 0.937 58.933 58.000 -0.007 0.000 1.086 2247 F CB -1.245 37.715 39.000 -0.066 0.000 1.095 2247 F HN 0.146 nan 8.300 nan 0.000 0.633 2248 K N 0.552 121.049 120.400 0.161 0.000 2.565 2248 K HA 0.240 4.561 4.320 0.001 0.000 0.251 2248 K C -0.057 176.637 176.600 0.157 0.000 0.956 2248 K CA -0.363 56.016 56.287 0.153 0.000 0.809 2248 K CB 1.458 34.039 32.500 0.136 0.000 1.267 2248 K HN 0.042 nan 8.250 nan 0.000 0.438 2249 D N 2.247 122.742 120.400 0.157 0.000 3.039 2249 D HA -0.208 4.432 4.640 0.001 0.000 0.222 2249 D C 0.670 177.087 176.300 0.194 0.000 1.179 2249 D CA 1.942 56.041 54.000 0.165 0.000 0.880 2249 D CB -1.063 39.824 40.800 0.145 0.000 1.115 2249 D HN 1.091 nan 8.370 nan 0.000 0.416 2250 G N -0.440 108.489 108.800 0.216 0.000 2.155 2250 G HA2 -0.400 3.560 3.960 0.001 0.000 0.257 2250 G HA3 -0.400 3.560 3.960 0.001 0.000 0.257 2250 G C 0.439 175.604 174.900 0.442 0.000 0.983 2250 G CA 1.057 46.343 45.100 0.309 0.000 0.676 2250 G HN 0.510 nan 8.290 nan 0.000 0.528 2251 K N -0.938 119.658 120.400 0.327 0.000 2.118 2251 K HA 0.619 4.940 4.320 0.001 0.000 0.240 2251 K C 0.082 176.882 176.600 0.334 0.000 1.035 2251 K CA -0.783 55.744 56.287 0.400 0.000 0.899 2251 K CB 0.600 33.279 32.500 0.297 0.000 1.085 2251 K HN 0.025 nan 8.250 nan 0.000 0.498 2252 L N 1.734 123.158 121.223 0.336 0.000 2.334 2252 L HA 0.257 4.597 4.340 0.001 0.000 0.275 2252 L C 0.235 177.265 176.870 0.266 0.000 1.036 2252 L CA -0.132 54.827 54.840 0.199 0.000 0.807 2252 L CB 1.258 43.391 42.059 0.123 0.000 1.231 2252 L HN 0.428 nan 8.230 nan 0.000 0.438 2253 K N 2.512 123.014 120.400 0.170 0.000 2.336 2253 K HA 0.322 4.643 4.320 0.001 0.000 0.262 2253 K C -1.250 175.506 176.600 0.260 0.000 0.992 2253 K CA 0.175 56.549 56.287 0.144 0.000 0.927 2253 K CB 0.604 33.139 32.500 0.058 0.000 0.956 2253 K HN 0.620 nan 8.250 nan 0.000 0.495 2254 Y N -2.649 117.694 120.300 0.072 0.000 2.662 2254 Y HA 0.188 4.739 4.550 0.001 0.000 0.334 2254 Y C -1.476 174.475 175.900 0.086 0.000 1.185 2254 Y CA -1.378 56.770 58.100 0.080 0.000 1.074 2254 Y CB 0.804 39.299 38.460 0.058 0.000 1.330 2254 Y HN 0.594 nan 8.280 nan 0.000 0.458 2255 Q N 0.978 120.892 119.800 0.190 0.000 2.359 2255 Q HA 0.864 5.204 4.340 0.001 0.000 0.275 2255 Q C -1.794 174.364 176.000 0.263 0.000 1.082 2255 Q CA -1.382 54.489 55.803 0.114 0.000 0.849 2255 Q CB 3.101 31.918 28.738 0.131 0.000 1.377 2255 Q HN 0.597 nan 8.270 nan 0.000 0.452 2256 V N 2.544 122.570 119.914 0.186 0.000 2.349 2256 V HA 0.407 4.527 4.120 0.001 0.000 0.284 2256 V C -0.597 175.599 176.094 0.170 0.000 1.014 2256 V CA -0.487 61.933 62.300 0.199 0.000 0.826 2256 V CB 0.845 32.768 31.823 0.167 0.000 1.009 2256 V HN 0.660 nan 8.190 nan 0.000 0.431 2257 I N 3.719 124.435 120.570 0.245 0.000 2.339 2257 I HA 0.578 4.748 4.170 0.001 0.000 0.290 2257 I C 1.218 177.440 176.117 0.175 0.000 0.994 2257 I CA -0.313 61.103 61.300 0.194 0.000 1.191 2257 I CB 1.594 39.711 38.000 0.195 0.000 1.343 2257 I HN 0.804 nan 8.210 nan 0.000 0.458 2258 G N 4.432 113.292 108.800 0.101 0.000 2.305 2258 G HA2 -0.152 3.809 3.960 0.001 0.000 0.287 2258 G HA3 -0.152 3.809 3.960 0.001 0.000 0.287 2258 G C 1.017 175.957 174.900 0.067 0.000 1.036 2258 G CA 0.628 45.774 45.100 0.076 0.000 0.887 2258 G HN 1.506 nan 8.290 nan 0.000 0.505 2259 G N -1.840 106.998 108.800 0.063 0.000 2.184 2259 G HA2 -0.255 3.706 3.960 0.001 0.000 0.264 2259 G HA3 -0.255 3.706 3.960 0.001 0.000 0.264 2259 G C 0.126 175.034 174.900 0.012 0.000 0.975 2259 G CA 0.912 46.035 45.100 0.038 0.000 0.642 2259 G HN 0.935 nan 8.290 nan 0.000 0.536 2260 E N 0.056 120.270 120.200 0.024 0.000 2.191 2260 E HA 0.533 4.884 4.350 0.001 0.000 0.278 2260 E C 0.112 176.603 176.600 -0.183 0.000 0.972 2260 E CA -0.699 55.625 56.400 -0.125 0.000 0.804 2260 E CB 2.182 31.787 29.700 -0.158 0.000 1.110 2260 E HN 0.096 nan 8.360 nan 0.000 0.394 2261 V N 4.396 124.122 119.914 -0.313 0.000 2.488 2261 V HA 0.183 4.304 4.120 0.001 0.000 0.277 2261 V C -0.668 175.177 176.094 -0.415 0.000 1.046 2261 V CA 0.161 62.341 62.300 -0.200 0.000 0.986 2261 V CB -0.296 31.379 31.823 -0.247 0.000 0.989 2261 V HN 0.523 nan 8.190 nan 0.000 0.475 2262 Y N 4.614 124.944 120.300 0.050 0.000 2.609 2262 Y HA 0.474 5.025 4.550 0.001 0.000 0.342 2262 Y C -2.280 173.641 175.900 0.035 0.000 1.058 2262 Y CA -2.641 55.420 58.100 -0.064 0.000 1.055 2262 Y CB 2.196 40.598 38.460 -0.096 0.000 1.292 2262 Y HN 0.428 nan 8.280 nan 0.000 0.476 2263 P HA -0.001 nan 4.420 nan 0.000 0.269 2263 P C -2.508 174.978 177.300 0.310 0.000 1.217 2263 P CA -0.644 62.565 63.100 0.182 0.000 0.783 2263 P CB -0.040 31.725 31.700 0.108 0.000 0.898 2264 P HA 0.066 nan 4.420 nan 0.000 0.277 2264 P C -0.279 177.127 177.300 0.177 0.000 1.276 2264 P CA 0.000 63.207 63.100 0.178 0.000 0.788 2264 P CB 0.102 31.864 31.700 0.104 0.000 1.114 2265 T N -3.494 111.103 114.554 0.071 0.000 2.862 2265 T HA 0.240 4.591 4.350 0.001 0.000 0.276 2265 T C 1.356 176.058 174.700 0.004 0.000 0.974 2265 T CA -0.601 61.491 62.100 -0.013 0.000 0.966 2265 T CB 0.009 68.824 68.868 -0.089 0.000 1.072 2265 T HN 0.056 nan 8.240 nan 0.000 0.538 2266 V N 1.078 120.974 119.914 -0.030 0.000 2.453 2266 V HA -0.016 4.104 4.120 0.001 0.000 0.247 2266 V C 2.794 178.885 176.094 -0.005 0.000 1.048 2266 V CA 1.971 64.278 62.300 0.012 0.000 1.049 2266 V CB -0.945 30.894 31.823 0.027 0.000 0.672 2266 V HN 1.025 nan 8.190 nan 0.000 0.457 2267 K N 0.378 120.755 120.400 -0.037 0.000 2.097 2267 K HA -0.250 4.071 4.320 0.001 0.000 0.206 2267 K C 2.003 178.594 176.600 -0.016 0.000 1.049 2267 K CA 1.994 58.262 56.287 -0.032 0.000 0.933 2267 K CB -0.297 32.172 32.500 -0.051 0.000 0.717 2267 K HN 0.527 nan 8.250 nan 0.000 0.442 2268 D N -0.698 119.695 120.400 -0.012 0.000 2.137 2268 D HA -0.097 4.543 4.640 0.001 0.000 0.202 2268 D C 1.619 177.929 176.300 0.016 0.000 0.970 2268 D CA 1.784 55.783 54.000 -0.002 0.000 0.837 2268 D CB 0.144 40.941 40.800 -0.005 0.000 0.981 2268 D HN 0.446 nan 8.370 nan 0.000 0.475 2269 T N -2.484 112.087 114.554 0.028 0.000 3.054 2269 T HA 0.005 4.356 4.350 0.001 0.000 0.259 2269 T C 1.087 175.812 174.700 0.043 0.000 1.092 2269 T CA 0.473 62.600 62.100 0.045 0.000 1.121 2269 T CB -0.011 68.893 68.868 0.060 0.000 0.912 2269 T HN 0.271 nan 8.240 nan 0.000 0.489 2270 Q N 0.301 120.121 119.800 0.032 0.000 2.481 2270 Q HA -0.137 4.203 4.340 0.001 0.000 0.258 2270 Q C -0.089 175.932 176.000 0.035 0.000 0.961 2270 Q CA 0.426 56.246 55.803 0.028 0.000 1.121 2270 Q CB -2.760 25.992 28.738 0.023 0.000 1.503 2270 Q HN 0.772 nan 8.270 nan 0.000 0.544 2271 V N -1.279 118.662 119.914 0.045 0.000 2.479 2271 V HA 0.185 4.306 4.120 0.001 0.000 0.281 2271 V C 0.725 176.840 176.094 0.036 0.000 1.031 2271 V CA -0.300 62.026 62.300 0.042 0.000 1.038 2271 V CB 1.394 33.249 31.823 0.052 0.000 0.981 2271 V HN 0.219 nan 8.190 nan 0.000 0.478 2272 E N 4.402 124.614 120.200 0.020 0.000 2.694 2272 E HA 0.214 4.565 4.350 0.001 0.000 0.250 2272 E C -0.473 176.132 176.600 0.009 0.000 0.963 2272 E CA 0.439 56.846 56.400 0.012 0.000 0.949 2272 E CB 0.251 29.950 29.700 -0.002 0.000 0.911 2272 E HN 0.813 nan 8.360 nan 0.000 0.500 2273 M N 5.096 124.709 119.600 0.021 0.000 2.361 2273 M HA 0.192 4.673 4.480 0.001 0.000 0.274 2273 M C -2.091 174.238 176.300 0.048 0.000 1.035 2273 M CA -0.419 54.887 55.300 0.010 0.000 0.907 2273 M CB 1.063 33.695 32.600 0.054 0.000 1.971 2273 M HN 0.272 nan 8.290 nan 0.000 0.494 2274 I N 4.844 125.415 120.570 0.002 0.000 2.439 2274 I HA 0.371 4.542 4.170 0.001 0.000 0.285 2274 I C -1.179 174.951 176.117 0.021 0.000 1.021 2274 I CA -0.417 60.910 61.300 0.046 0.000 1.091 2274 I CB 1.358 39.369 38.000 0.019 0.000 1.242 2274 I HN 0.630 nan 8.210 nan 0.000 0.439 2275 Y N 6.593 126.853 120.300 -0.065 0.000 2.403 2275 Y HA 0.426 4.977 4.550 0.001 0.000 0.323 2275 Y C -1.729 174.069 175.900 -0.170 0.000 1.226 2275 Y CA -2.095 55.932 58.100 -0.121 0.000 1.235 2275 Y CB 0.507 38.857 38.460 -0.183 0.000 1.248 2275 Y HN 0.379 nan 8.280 nan 0.000 0.489 2276 P HA -0.051 nan 4.420 nan 0.000 0.264 2276 P C -1.937 175.309 177.300 -0.091 0.000 1.183 2276 P CA -0.749 62.292 63.100 -0.098 0.000 0.763 2276 P CB 0.220 31.806 31.700 -0.189 0.000 0.807 2277 P HA -0.227 nan 4.420 nan 0.000 0.222 2277 P C 1.057 178.348 177.300 -0.016 0.000 1.142 2277 P CA 1.665 64.764 63.100 -0.001 0.000 0.788 2277 P CB -0.430 31.288 31.700 0.031 0.000 0.767 2278 H N -1.239 117.781 119.070 -0.083 0.000 2.535 2278 H HA 0.143 4.699 4.556 0.001 0.000 0.273 2278 H C 0.741 176.002 175.328 -0.113 0.000 0.983 2278 H CA -0.371 55.626 56.048 -0.085 0.000 1.238 2278 H CB -1.055 28.664 29.762 -0.073 0.000 1.412 2278 H HN 0.071 nan 8.280 nan 0.000 0.562 2279 I N 4.819 125.006 120.570 -0.638 0.000 2.662 2279 I HA 0.005 4.175 4.170 0.001 0.000 0.285 2279 I C -1.862 174.038 176.117 -0.360 0.000 1.161 2279 I CA -1.387 59.601 61.300 -0.521 0.000 1.415 2279 I CB 0.330 37.998 38.000 -0.554 0.000 1.385 2279 I HN 0.042 nan 8.210 nan 0.000 0.552 2280 P HA -0.089 nan 4.420 nan 0.000 0.266 2280 P C 0.753 177.863 177.300 -0.317 0.000 1.186 2280 P CA 0.051 63.003 63.100 -0.246 0.000 0.767 2280 P CB 0.589 32.161 31.700 -0.213 0.000 0.820 2281 E N 2.414 122.467 120.200 -0.245 0.000 2.048 2281 E HA -0.314 4.036 4.350 0.001 0.000 0.202 2281 E C 1.054 177.467 176.600 -0.312 0.000 1.021 2281 E CA 1.723 57.975 56.400 -0.247 0.000 0.825 2281 E CB -0.256 29.348 29.700 -0.160 0.000 0.756 2281 E HN 0.331 nan 8.360 nan 0.000 0.454 2282 N N -0.018 118.518 118.700 -0.273 0.000 2.573 2282 N HA -0.056 4.685 4.740 0.001 0.000 0.187 2282 N C 1.109 176.294 175.510 -0.542 0.000 1.107 2282 N CA 0.490 53.364 53.050 -0.292 0.000 0.918 2282 N CB 0.073 38.455 38.487 -0.176 0.000 0.966 2282 N HN 0.256 nan 8.380 nan 0.000 0.448 2283 L N -0.070 120.752 121.223 -0.670 0.000 2.607 2283 L HA 0.155 4.495 4.340 0.001 0.000 0.228 2283 L C 0.045 176.114 176.870 -1.336 0.000 1.123 2283 L CA 0.183 54.401 54.840 -1.037 0.000 0.890 2283 L CB 0.203 41.895 42.059 -0.612 0.000 1.103 2283 L HN 0.052 nan 8.230 nan 0.000 0.468 2284 Q N 0.754 119.890 119.800 -1.108 0.000 3.006 2284 Q HA 0.215 4.555 4.340 0.001 0.000 0.260 2284 Q C -0.664 174.918 176.000 -0.696 0.000 1.356 2284 Q CA -0.374 54.626 55.803 -1.340 0.000 1.070 2284 Q CB 0.080 28.239 28.738 -0.966 0.000 1.507 2284 Q HN 0.177 nan 8.270 nan 0.000 0.568 2285 F N 0.950 120.791 119.950 -0.181 0.000 2.553 2285 F HA 0.111 4.638 4.527 0.001 0.000 0.356 2285 F C 0.900 176.804 175.800 0.174 0.000 1.142 2285 F CA -0.505 57.522 58.000 0.046 0.000 1.322 2285 F CB 0.538 39.593 39.000 0.092 0.000 1.126 2285 F HN 0.291 nan 8.300 nan 0.000 0.599 2286 A N 3.328 126.344 122.820 0.328 0.000 2.273 2286 A HA 0.727 5.048 4.320 0.001 0.000 0.315 2286 A C -0.669 177.028 177.584 0.189 0.000 1.256 2286 A CA -0.533 51.638 52.037 0.223 0.000 0.851 2286 A CB 0.605 19.694 19.000 0.148 0.000 1.172 2286 A HN 0.721 nan 8.150 nan 0.000 0.508 2287 V N 0.050 120.054 119.914 0.150 0.000 3.167 2287 V HA 0.880 5.000 4.120 0.001 0.000 0.310 2287 V C 1.148 177.251 176.094 0.015 0.000 1.207 2287 V CA -0.058 62.302 62.300 0.100 0.000 1.059 2287 V CB 1.023 32.949 31.823 0.171 0.000 1.079 2287 V HN 1.005 nan 8.190 nan 0.000 0.446 2288 G N -0.661 108.120 108.800 -0.032 0.000 2.476 2288 G HA2 -0.123 3.837 3.960 0.001 0.000 0.218 2288 G HA3 -0.123 3.837 3.960 0.001 0.000 0.218 2288 G C 0.721 175.522 174.900 -0.164 0.000 1.164 2288 G CA 0.828 45.880 45.100 -0.081 0.000 0.768 2288 G HN 0.695 nan 8.290 nan 0.000 0.560 2289 Q N 0.693 120.294 119.800 -0.332 0.000 2.360 2289 Q HA 0.200 4.540 4.340 0.001 0.000 0.254 2289 Q C 0.771 176.466 176.000 -0.507 0.000 0.975 2289 Q CA -0.162 55.271 55.803 -0.616 0.000 0.912 2289 Q CB 1.423 29.310 28.738 -1.417 0.000 1.212 2289 Q HN 0.636 nan 8.270 nan 0.000 0.452 2290 E N 1.637 121.653 120.200 -0.306 0.000 2.510 2290 E HA -0.104 4.247 4.350 0.001 0.000 0.202 2290 E C 1.083 177.558 176.600 -0.209 0.000 1.072 2290 E CA 0.350 56.629 56.400 -0.202 0.000 0.883 2290 E CB 0.070 29.683 29.700 -0.144 0.000 0.818 2290 E HN 0.222 nan 8.360 nan 0.000 0.548 2291 V N -0.268 119.480 119.914 -0.278 0.000 3.644 2291 V HA 0.021 4.142 4.120 0.001 0.000 0.267 2291 V C 0.562 176.703 176.094 0.079 0.000 1.277 2291 V CA 0.214 62.437 62.300 -0.129 0.000 1.096 2291 V CB -0.227 31.530 31.823 -0.111 0.000 0.828 2291 V HN 0.198 nan 8.190 nan 0.000 0.446 2292 F N 1.239 121.204 119.950 0.026 0.000 2.325 2292 F HA 0.159 4.687 4.527 0.001 0.000 0.299 2292 F C 2.444 178.307 175.800 0.105 0.000 1.090 2292 F CA 0.675 58.725 58.000 0.083 0.000 1.392 2292 F CB -1.616 37.458 39.000 0.124 0.000 1.053 2292 F HN 0.255 nan 8.300 nan 0.000 0.521 2293 G N 0.971 109.940 108.800 0.281 0.000 2.532 2293 G HA2 -0.226 3.734 3.960 0.001 0.000 0.222 2293 G HA3 -0.226 3.734 3.960 0.001 0.000 0.222 2293 G C 1.632 176.741 174.900 0.347 0.000 1.102 2293 G CA 1.273 46.576 45.100 0.338 0.000 0.742 2293 G HN 0.362 nan 8.290 nan 0.000 0.577 2294 L N 0.056 121.418 121.223 0.232 0.000 2.013 2294 L HA 0.135 4.476 4.340 0.001 0.000 0.204 2294 L C 1.198 178.160 176.870 0.154 0.000 1.081 2294 L CA -0.056 54.946 54.840 0.270 0.000 0.751 2294 L CB -1.375 40.729 42.059 0.075 0.000 0.901 2294 L HN -0.150 nan 8.230 nan 0.000 0.440 2295 V N 2.384 122.350 119.914 0.088 0.000 2.458 2295 V HA -0.007 4.113 4.120 0.001 0.000 0.287 2295 V C -1.228 174.805 176.094 -0.103 0.000 1.009 2295 V CA -0.497 61.797 62.300 -0.010 0.000 1.091 2295 V CB 0.349 32.238 31.823 0.110 0.000 0.960 2295 V HN 0.150 nan 8.190 nan 0.000 0.476 2296 P HA -0.093 nan 4.420 nan 0.000 0.218 2296 P C 1.595 178.686 177.300 -0.349 0.000 1.148 2296 P CA 1.440 64.322 63.100 -0.365 0.000 0.822 2296 P CB 0.222 31.633 31.700 -0.482 0.000 0.784 2297 G N -0.751 107.828 108.800 -0.368 0.000 2.421 2297 G HA2 -0.167 3.793 3.960 0.001 0.000 0.217 2297 G HA3 -0.167 3.793 3.960 0.001 0.000 0.217 2297 G C 1.321 176.085 174.900 -0.226 0.000 1.143 2297 G CA 0.351 45.121 45.100 -0.550 0.000 0.784 2297 G HN 0.138 nan 8.290 nan 0.000 0.541 2298 L N -0.182 121.027 121.223 -0.024 0.000 2.095 2298 L HA 0.250 4.590 4.340 0.001 0.000 0.204 2298 L C 2.640 179.456 176.870 -0.090 0.000 1.080 2298 L CA 1.169 56.007 54.840 -0.005 0.000 0.759 2298 L CB -0.742 41.316 42.059 -0.003 0.000 0.914 2298 L HN 0.193 nan 8.230 nan 0.000 0.439 2299 M N -1.270 118.289 119.600 -0.068 0.000 2.358 2299 M HA -0.203 4.277 4.480 0.001 0.000 0.264 2299 M C 2.084 178.246 176.300 -0.229 0.000 1.064 2299 M CA 1.458 56.699 55.300 -0.098 0.000 1.093 2299 M CB -0.459 32.078 32.600 -0.105 0.000 1.401 2299 M HN 0.277 nan 8.290 nan 0.000 0.440 2300 M N -1.646 117.770 119.600 -0.307 0.000 2.132 2300 M HA -0.221 4.260 4.480 0.001 0.000 0.263 2300 M C 1.501 177.588 176.300 -0.356 0.000 1.065 2300 M CA 1.795 56.855 55.300 -0.400 0.000 1.122 2300 M CB -0.334 31.975 32.600 -0.485 0.000 1.365 2300 M HN 0.244 nan 8.290 nan 0.000 0.411 2301 Y N 0.467 120.599 120.300 -0.280 0.000 2.263 2301 Y HA 0.002 4.552 4.550 0.001 0.000 0.292 2301 Y C 2.702 178.428 175.900 -0.290 0.000 1.130 2301 Y CA 1.391 59.257 58.100 -0.391 0.000 1.179 2301 Y CB -1.008 36.982 38.460 -0.784 0.000 0.998 2301 Y HN 0.381 nan 8.280 nan 0.000 0.532 2302 A N -0.661 122.121 122.820 -0.063 0.000 1.908 2302 A HA -0.222 4.098 4.320 0.001 0.000 0.218 2302 A C 2.301 179.906 177.584 0.035 0.000 1.181 2302 A CA 2.442 54.547 52.037 0.114 0.000 0.627 2302 A CB -1.203 17.899 19.000 0.169 0.000 0.818 2302 A HN 0.409 nan 8.150 nan 0.000 0.445 2303 T N 0.023 114.527 114.554 -0.083 0.000 2.821 2303 T HA -0.027 4.324 4.350 0.001 0.000 0.267 2303 T C 1.786 176.406 174.700 -0.133 0.000 1.046 2303 T CA 1.353 63.374 62.100 -0.132 0.000 1.139 2303 T CB -0.340 68.405 68.868 -0.205 0.000 0.871 2303 T HN 0.424 nan 8.240 nan 0.000 0.454 2304 I N -0.746 119.732 120.570 -0.153 0.000 2.202 2304 I HA -0.144 4.026 4.170 0.001 0.000 0.242 2304 I C 2.169 178.197 176.117 -0.147 0.000 1.091 2304 I CA 1.397 62.572 61.300 -0.208 0.000 1.368 2304 I CB -0.231 37.593 38.000 -0.292 0.000 1.058 2304 I HN 0.335 nan 8.210 nan 0.000 0.410 2305 W N 0.526 121.800 121.300 -0.042 0.000 2.402 2305 W HA -0.114 4.547 4.660 0.001 0.000 0.286 2305 W C 2.438 178.939 176.519 -0.030 0.000 1.221 2305 W CA 0.494 57.828 57.345 -0.019 0.000 1.257 2305 W CB -0.211 29.229 29.460 -0.033 0.000 1.120 2305 W HN 0.105 nan 8.180 nan 0.000 0.551 2306 L N 0.633 121.947 121.223 0.151 0.000 2.017 2306 L HA -0.230 4.111 4.340 0.001 0.000 0.208 2306 L C 2.573 179.488 176.870 0.074 0.000 1.073 2306 L CA 1.716 56.604 54.840 0.079 0.000 0.745 2306 L CB -0.336 41.741 42.059 0.030 0.000 0.894 2306 L HN -0.097 nan 8.230 nan 0.000 0.432 2307 R N -0.211 120.280 120.500 -0.015 0.000 2.083 2307 R HA -0.247 4.094 4.340 0.001 0.000 0.237 2307 R C 2.222 178.512 176.300 -0.017 0.000 1.137 2307 R CA 1.781 57.834 56.100 -0.080 0.000 0.951 2307 R CB -0.298 29.912 30.300 -0.151 0.000 0.851 2307 R HN 0.375 nan 8.270 nan 0.000 0.434 2308 E N -0.523 119.690 120.200 0.022 0.000 2.153 2308 E HA -0.234 4.117 4.350 0.001 0.000 0.194 2308 E C 1.631 178.324 176.600 0.155 0.000 0.988 2308 E CA 1.677 58.113 56.400 0.059 0.000 0.811 2308 E CB -0.142 29.587 29.700 0.049 0.000 0.746 2308 E HN 0.482 nan 8.360 nan 0.000 0.466 2309 H N -0.513 118.639 119.070 0.137 0.000 2.293 2309 H HA -0.058 4.499 4.556 0.001 0.000 0.300 2309 H C 1.962 177.359 175.328 0.116 0.000 1.082 2309 H CA 2.206 58.354 56.048 0.166 0.000 1.308 2309 H CB -0.047 29.834 29.762 0.199 0.000 1.375 2309 H HN 0.084 nan 8.280 nan 0.000 0.495 2310 Q N 0.296 120.192 119.800 0.159 0.000 2.096 2310 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 2310 Q C 2.493 178.487 176.000 -0.010 0.000 0.982 2310 Q CA 1.570 57.408 55.803 0.059 0.000 0.850 2310 Q CB -0.224 28.501 28.738 -0.023 0.000 0.901 2310 Q HN 0.377 nan 8.270 nan 0.000 0.422 2311 R N -0.595 119.896 120.500 -0.015 0.000 2.082 2311 R HA -0.148 4.193 4.340 0.001 0.000 0.234 2311 R C 2.003 178.296 176.300 -0.013 0.000 1.136 2311 R CA 1.769 57.855 56.100 -0.023 0.000 0.935 2311 R CB -0.417 29.868 30.300 -0.025 0.000 0.842 2311 R HN 0.193 nan 8.270 nan 0.000 0.430 2312 V N 0.227 120.135 119.914 -0.010 0.000 2.407 2312 V HA -0.329 3.792 4.120 0.001 0.000 0.248 2312 V C 2.535 178.621 176.094 -0.014 0.000 1.055 2312 V CA 1.671 63.970 62.300 -0.001 0.000 1.049 2312 V CB -0.471 31.360 31.823 0.013 0.000 0.662 2312 V HN 0.548 nan 8.190 nan 0.000 0.455 2313 C N -0.077 119.185 119.300 -0.063 0.000 2.429 2313 C HA -0.158 4.302 4.460 0.001 0.000 0.277 2313 C C 2.531 177.544 174.990 0.038 0.000 1.262 2313 C CA 1.036 60.045 59.018 -0.014 0.000 1.733 2313 C CB -1.009 26.726 27.740 -0.009 0.000 2.010 2313 C HN 0.602 nan 8.230 nan 0.000 0.483 2314 D N 0.649 121.061 120.400 0.020 0.000 2.117 2314 D HA -0.065 4.576 4.640 0.001 0.000 0.197 2314 D C 1.919 178.224 176.300 0.008 0.000 0.987 2314 D CA 1.114 55.126 54.000 0.019 0.000 0.829 2314 D CB -0.365 40.438 40.800 0.004 0.000 0.961 2314 D HN 0.458 nan 8.370 nan 0.000 0.460 2315 I N 0.430 121.002 120.570 0.003 0.000 2.179 2315 I HA -0.227 3.944 4.170 0.001 0.000 0.242 2315 I C 2.387 178.493 176.117 -0.019 0.000 1.088 2315 I CA 0.705 62.000 61.300 -0.008 0.000 1.357 2315 I CB -0.075 37.926 38.000 0.002 0.000 1.051 2315 I HN -0.024 nan 8.210 nan 0.000 0.409 2316 L N 0.425 121.661 121.223 0.023 0.000 2.093 2316 L HA -0.203 4.138 4.340 0.001 0.000 0.208 2316 L C 2.577 179.441 176.870 -0.011 0.000 1.085 2316 L CA 1.213 56.074 54.840 0.035 0.000 0.755 2316 L CB -0.489 41.682 42.059 0.187 0.000 0.904 2316 L HN 0.213 nan 8.230 nan 0.000 0.435 2317 K N 0.237 120.662 120.400 0.042 0.000 2.097 2317 K HA -0.269 4.051 4.320 0.001 0.000 0.206 2317 K C 2.176 178.756 176.600 -0.034 0.000 1.049 2317 K CA 1.526 57.840 56.287 0.045 0.000 0.933 2317 K CB -0.029 32.513 32.500 0.069 0.000 0.717 2317 K HN 0.218 nan 8.250 nan 0.000 0.442 2318 Q N -0.030 119.736 119.800 -0.057 0.000 2.124 2318 Q HA -0.163 4.178 4.340 0.001 0.000 0.202 2318 Q C 1.485 177.382 176.000 -0.171 0.000 0.977 2318 Q CA 1.450 57.202 55.803 -0.086 0.000 0.850 2318 Q CB 0.216 28.913 28.738 -0.069 0.000 0.901 2318 Q HN 0.313 nan 8.270 nan 0.000 0.429 2319 E N -0.546 119.489 120.200 -0.276 0.000 2.230 2319 E HA -0.054 4.297 4.350 0.001 0.000 0.192 2319 E C 0.138 176.258 176.600 -0.800 0.000 0.987 2319 E CA 0.768 56.855 56.400 -0.520 0.000 0.841 2319 E CB 0.334 29.648 29.700 -0.644 0.000 0.783 2319 E HN 0.401 nan 8.360 nan 0.000 0.481 2320 H N 0.281 119.101 119.070 -0.417 0.000 2.380 2320 H HA 0.169 4.725 4.556 0.001 0.000 0.231 2320 H C -1.798 173.377 175.328 -0.256 0.000 1.415 2320 H CA -1.706 53.992 56.048 -0.583 0.000 1.433 2320 H CB 1.062 29.902 29.762 -1.536 0.000 1.544 2320 H HN 0.005 nan 8.280 nan 0.000 0.503 2321 P HA -0.125 nan 4.420 nan 0.000 0.228 2321 P C 0.565 177.912 177.300 0.077 0.000 1.151 2321 P CA 0.932 64.042 63.100 0.017 0.000 0.770 2321 P CB 0.382 32.078 31.700 -0.007 0.000 0.786 2322 E N -2.713 117.543 120.200 0.093 0.000 2.474 2322 E HA 0.006 4.356 4.350 0.001 0.000 0.194 2322 E C 0.436 177.232 176.600 0.327 0.000 1.041 2322 E CA -0.053 56.448 56.400 0.168 0.000 0.874 2322 E CB -0.462 29.329 29.700 0.152 0.000 0.914 2322 E HN 0.174 nan 8.360 nan 0.000 0.498 2323 W N 1.485 122.832 121.300 0.080 0.000 2.253 2323 W HA 0.637 5.297 4.660 0.000 0.000 0.348 2323 W C 1.008 177.562 176.519 0.058 0.000 1.229 2323 W CA -0.986 56.389 57.345 0.049 0.000 1.335 2323 W CB 0.655 30.142 29.460 0.045 0.000 1.165 2323 W HN 0.011 nan 8.180 nan 0.000 0.631 2324 G N 0.210 109.149 108.800 0.233 0.000 2.705 2324 G HA2 0.184 4.145 3.960 0.001 0.000 0.299 2324 G HA3 0.184 4.145 3.960 0.001 0.000 0.299 2324 G C 0.136 175.132 174.900 0.159 0.000 1.315 2324 G CA -0.257 44.936 45.100 0.155 0.000 1.045 2324 G HN 0.421 nan 8.290 nan 0.000 0.517 2325 D N -0.888 119.602 120.400 0.151 0.000 2.092 2325 D HA -0.160 4.480 4.640 0.001 0.000 0.193 2325 D C 2.066 178.471 176.300 0.176 0.000 0.994 2325 D CA 1.565 55.668 54.000 0.173 0.000 0.828 2325 D CB 0.180 41.089 40.800 0.182 0.000 0.963 2325 D HN 0.275 nan 8.370 nan 0.000 0.450 2326 E N 0.207 120.487 120.200 0.133 0.000 2.033 2326 E HA -0.254 4.097 4.350 0.001 0.000 0.199 2326 E C 2.077 178.738 176.600 0.102 0.000 1.011 2326 E CA 1.113 57.590 56.400 0.128 0.000 0.815 2326 E CB -0.554 29.187 29.700 0.069 0.000 0.755 2326 E HN 0.522 nan 8.360 nan 0.000 0.451 2327 Q N -0.016 119.749 119.800 -0.059 0.000 2.124 2327 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 2327 Q C 2.478 178.408 176.000 -0.117 0.000 0.977 2327 Q CA 0.931 56.567 55.803 -0.278 0.000 0.850 2327 Q CB -0.045 28.240 28.738 -0.756 0.000 0.901 2327 Q HN 0.234 nan 8.270 nan 0.000 0.429 2328 L N -0.369 120.924 121.223 0.118 0.000 1.994 2328 L HA -0.175 4.166 4.340 0.001 0.000 0.208 2328 L C 2.297 179.278 176.870 0.185 0.000 1.071 2328 L CA 1.340 56.339 54.840 0.265 0.000 0.745 2328 L CB -0.569 41.660 42.059 0.284 0.000 0.892 2328 L HN 0.325 nan 8.230 nan 0.000 0.431 2329 F N 0.701 120.707 119.950 0.094 0.000 2.046 2329 F HA -0.276 4.251 4.527 0.001 0.000 0.297 2329 F C 2.788 178.640 175.800 0.087 0.000 1.123 2329 F CA 1.643 59.725 58.000 0.137 0.000 1.199 2329 F CB -0.312 38.743 39.000 0.093 0.000 0.972 2329 F HN 0.040 nan 8.300 nan 0.000 0.474 2330 Q N 0.064 119.893 119.800 0.049 0.000 2.096 2330 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 2330 Q C 2.209 178.130 176.000 -0.133 0.000 0.982 2330 Q CA 2.386 58.132 55.803 -0.094 0.000 0.850 2330 Q CB -1.291 27.470 28.738 0.038 0.000 0.901 2330 Q HN 0.470 nan 8.270 nan 0.000 0.422 2331 T N 0.767 115.287 114.554 -0.057 0.000 2.821 2331 T HA -0.046 4.304 4.350 0.001 0.000 0.267 2331 T C 2.165 176.923 174.700 0.096 0.000 1.046 2331 T CA 1.244 63.374 62.100 0.050 0.000 1.139 2331 T CB -0.090 68.877 68.868 0.165 0.000 0.871 2331 T HN 0.197 nan 8.240 nan 0.000 0.454 2332 S N 1.162 116.859 115.700 -0.006 0.000 2.368 2332 S HA -0.075 4.396 4.470 0.001 0.000 0.224 2332 S C 2.003 176.611 174.600 0.014 0.000 1.029 2332 S CA 1.073 59.244 58.200 -0.048 0.000 0.988 2332 S CB -0.213 62.769 63.200 -0.363 0.000 0.838 2332 S HN 0.545 nan 8.310 nan 0.000 0.462 2333 K N 1.259 121.559 120.400 -0.167 0.000 2.097 2333 K HA 0.000 4.321 4.320 0.001 0.000 0.206 2333 K C 1.949 178.572 176.600 0.039 0.000 1.049 2333 K CA 0.964 57.127 56.287 -0.207 0.000 0.933 2333 K CB -0.221 31.788 32.500 -0.818 0.000 0.717 2333 K HN 0.280 nan 8.250 nan 0.000 0.442 2334 L N 0.750 122.032 121.223 0.099 0.000 2.093 2334 L HA -0.143 4.198 4.340 0.001 0.000 0.208 2334 L C 2.369 179.497 176.870 0.430 0.000 1.085 2334 L CA 1.024 56.038 54.840 0.291 0.000 0.755 2334 L CB -0.270 41.981 42.059 0.321 0.000 0.904 2334 L HN 0.273 nan 8.230 nan 0.000 0.435 2335 I N -0.709 120.084 120.570 0.371 0.000 2.252 2335 I HA -0.287 3.884 4.170 0.001 0.000 0.245 2335 I C 2.309 178.580 176.117 0.255 0.000 1.102 2335 I CA 0.944 62.421 61.300 0.294 0.000 1.385 2335 I CB -0.052 38.097 38.000 0.248 0.000 1.064 2335 I HN 0.185 nan 8.210 nan 0.000 0.414 2336 L N 0.363 121.752 121.223 0.276 0.000 2.141 2336 L HA -0.158 4.182 4.340 0.001 0.000 0.209 2336 L C 2.290 179.285 176.870 0.209 0.000 1.094 2336 L CA 1.686 56.713 54.840 0.311 0.000 0.763 2336 L CB -0.474 41.800 42.059 0.359 0.000 0.908 2336 L HN 0.154 nan 8.230 nan 0.000 0.437 2337 I N -1.034 119.661 120.570 0.208 0.000 2.226 2337 I HA -0.249 3.921 4.170 0.001 0.000 0.245 2337 I C 2.458 178.686 176.117 0.185 0.000 1.100 2337 I CA 1.464 62.869 61.300 0.174 0.000 1.374 2337 I CB -0.890 37.233 38.000 0.204 0.000 1.057 2337 I HN 0.351 nan 8.210 nan 0.000 0.413 2338 G N 0.093 109.044 108.800 0.250 0.000 2.402 2338 G HA2 -0.203 3.758 3.960 0.001 0.000 0.216 2338 G HA3 -0.203 3.758 3.960 0.001 0.000 0.216 2338 G C 1.526 176.537 174.900 0.185 0.000 1.162 2338 G CA 0.427 45.687 45.100 0.266 0.000 0.777 2338 G HN 0.389 nan 8.290 nan 0.000 0.539 2339 E N -0.062 120.271 120.200 0.221 0.000 2.077 2339 E HA -0.111 4.240 4.350 0.001 0.000 0.193 2339 E C 2.783 179.552 176.600 0.281 0.000 0.989 2339 E CA 1.450 58.008 56.400 0.264 0.000 0.800 2339 E CB -0.198 29.733 29.700 0.385 0.000 0.746 2339 E HN 0.340 nan 8.360 nan 0.000 0.452 2340 T N 1.405 116.116 114.554 0.261 0.000 2.708 2340 T HA -0.144 4.207 4.350 0.001 0.000 0.266 2340 T C 1.996 176.716 174.700 0.033 0.000 1.037 2340 T CA 0.999 63.219 62.100 0.200 0.000 1.146 2340 T CB -0.195 68.688 68.868 0.025 0.000 0.865 2340 T HN 0.105 nan 8.240 nan 0.000 0.435 2341 I N 0.792 121.306 120.570 -0.094 0.000 2.315 2341 I HA -0.157 4.014 4.170 0.001 0.000 0.248 2341 I C 2.514 178.304 176.117 -0.545 0.000 1.117 2341 I CA 1.107 62.195 61.300 -0.353 0.000 1.404 2341 I CB -0.243 37.421 38.000 -0.560 0.000 1.071 2341 I HN 0.139 nan 8.210 nan 0.000 0.419 2342 K N 1.855 121.980 120.400 -0.459 0.000 2.009 2342 K HA -0.160 4.160 4.320 0.001 0.000 0.210 2342 K C 1.881 178.457 176.600 -0.041 0.000 1.049 2342 K CA 1.859 58.028 56.287 -0.196 0.000 0.929 2342 K CB -0.430 32.133 32.500 0.106 0.000 0.714 2342 K HN 0.227 nan 8.250 nan 0.000 0.440 2343 I N 0.174 120.760 120.570 0.027 0.000 2.226 2343 I HA -0.244 3.927 4.170 0.001 0.000 0.245 2343 I C 2.057 178.191 176.117 0.027 0.000 1.100 2343 I CA 0.916 62.252 61.300 0.060 0.000 1.374 2343 I CB -0.157 37.936 38.000 0.156 0.000 1.057 2343 I HN -0.011 nan 8.210 nan 0.000 0.413 2344 V N 0.901 120.775 119.914 -0.066 0.000 2.490 2344 V HA -0.264 3.856 4.120 0.001 0.000 0.250 2344 V C 2.163 178.287 176.094 0.050 0.000 1.061 2344 V CA 1.803 64.021 62.300 -0.138 0.000 1.064 2344 V CB -0.327 31.243 31.823 -0.421 0.000 0.670 2344 V HN 0.341 nan 8.190 nan 0.000 0.461 2345 I N -0.590 119.984 120.570 0.007 0.000 2.296 2345 I HA -0.094 4.077 4.170 0.001 0.000 0.242 2345 I C 2.408 178.578 176.117 0.089 0.000 1.087 2345 I CA 1.141 62.480 61.300 0.066 0.000 1.393 2345 I CB -0.260 37.766 38.000 0.043 0.000 1.093 2345 I HN 0.273 nan 8.210 nan 0.000 0.421 2346 E N 0.423 120.666 120.200 0.072 0.000 2.358 2346 E HA -0.123 4.228 4.350 0.001 0.000 0.195 2346 E C 0.869 177.512 176.600 0.073 0.000 1.010 2346 E CA 0.738 57.173 56.400 0.058 0.000 0.856 2346 E CB 0.207 29.939 29.700 0.053 0.000 0.795 2346 E HN 0.504 nan 8.360 nan 0.000 0.504 2347 D N -0.582 119.894 120.400 0.128 0.000 3.105 2347 D HA -0.034 4.606 4.640 0.001 0.000 0.291 2347 D C 1.602 178.167 176.300 0.441 0.000 1.218 2347 D CA 0.173 54.291 54.000 0.198 0.000 1.029 2347 D CB -0.442 40.413 40.800 0.092 0.000 1.207 2347 D HN 0.020 nan 8.370 nan 0.000 0.437 2348 Y N 2.461 122.932 120.300 0.285 0.000 2.036 2348 Y HA -0.238 4.312 4.550 0.001 0.000 0.273 2348 Y C 2.301 178.319 175.900 0.197 0.000 1.135 2348 Y CA 1.685 59.851 58.100 0.109 0.000 1.106 2348 Y CB -0.468 37.871 38.460 -0.201 0.000 0.976 2348 Y HN -0.247 nan 8.280 nan 0.000 0.483 2349 V N 0.503 120.631 119.914 0.357 0.000 2.343 2349 V HA -0.318 3.803 4.120 0.001 0.000 0.247 2349 V C 2.297 178.412 176.094 0.035 0.000 1.051 2349 V CA 2.053 64.475 62.300 0.204 0.000 1.036 2349 V CB -0.924 31.036 31.823 0.227 0.000 0.654 2349 V HN 0.435 nan 8.190 nan 0.000 0.451 2350 Q N 0.559 120.398 119.800 0.065 0.000 2.062 2350 Q HA -0.299 4.042 4.340 0.001 0.000 0.209 2350 Q C 2.134 178.093 176.000 -0.068 0.000 0.996 2350 Q CA 2.757 58.553 55.803 -0.013 0.000 0.859 2350 Q CB -0.669 28.090 28.738 0.035 0.000 0.920 2350 Q HN 0.833 nan 8.270 nan 0.000 0.415 2351 H N -0.813 118.218 119.070 -0.064 0.000 2.267 2351 H HA -0.140 4.417 4.556 0.001 0.000 0.297 2351 H C 1.611 176.762 175.328 -0.296 0.000 1.080 2351 H CA 2.017 57.981 56.048 -0.139 0.000 1.278 2351 H CB -0.577 29.153 29.762 -0.054 0.000 1.365 2351 H HN 0.322 nan 8.280 nan 0.000 0.489 2352 L N 0.737 121.678 121.223 -0.471 0.000 2.043 2352 L HA -0.219 4.121 4.340 0.001 0.000 0.212 2352 L C 2.889 179.453 176.870 -0.510 0.000 1.075 2352 L CA 2.144 56.639 54.840 -0.575 0.000 0.752 2352 L CB -1.504 40.407 42.059 -0.248 0.000 0.891 2352 L HN 0.638 nan 8.230 nan 0.000 0.432 2353 S N -0.833 114.582 115.700 -0.476 0.000 2.356 2353 S HA -0.049 4.421 4.470 0.001 0.000 0.223 2353 S C 1.786 175.991 174.600 -0.658 0.000 1.032 2353 S CA 1.274 59.024 58.200 -0.751 0.000 1.005 2353 S CB -0.681 61.752 63.200 -1.278 0.000 0.867 2353 S HN 0.684 nan 8.310 nan 0.000 0.449 2354 G N -0.449 108.047 108.800 -0.507 0.000 2.159 2354 G HA2 -0.226 3.735 3.960 0.001 0.000 0.256 2354 G HA3 -0.226 3.735 3.960 0.001 0.000 0.256 2354 G C -0.108 174.614 174.900 -0.297 0.000 0.977 2354 G CA 0.313 45.196 45.100 -0.361 0.000 0.652 2354 G HN 0.532 nan 8.290 nan 0.000 0.531 2355 Y N -0.118 119.991 120.300 -0.318 0.000 2.379 2355 Y HA 0.442 4.993 4.550 0.001 0.000 0.337 2355 Y C 1.710 177.374 175.900 -0.395 0.000 1.238 2355 Y CA -0.170 57.690 58.100 -0.399 0.000 1.405 2355 Y CB 0.324 38.630 38.460 -0.258 0.000 1.310 2355 Y HN 0.294 nan 8.280 nan 0.000 0.569 2356 H N 0.474 119.429 119.070 -0.192 0.000 2.525 2356 H HA 0.023 4.580 4.556 0.001 0.000 0.275 2356 H C -0.043 175.180 175.328 -0.175 0.000 0.984 2356 H CA -0.201 55.757 56.048 -0.150 0.000 1.264 2356 H CB 0.260 30.001 29.762 -0.035 0.000 1.432 2356 H HN 0.391 nan 8.280 nan 0.000 0.549 2357 F N 2.636 122.266 119.950 -0.534 0.000 2.495 2357 F HA 0.147 4.675 4.527 0.001 0.000 0.365 2357 F C 0.131 175.868 175.800 -0.105 0.000 1.090 2357 F CA -0.758 56.980 58.000 -0.438 0.000 1.235 2357 F CB 0.488 38.943 39.000 -0.908 0.000 1.119 2357 F HN -0.253 nan 8.300 nan 0.000 0.562 2358 K N 7.820 127.716 120.400 -0.840 0.000 2.262 2358 K HA 0.232 4.553 4.320 0.001 0.000 0.288 2358 K C -0.293 175.761 176.600 -0.910 0.000 1.090 2358 K CA -0.289 55.617 56.287 -0.636 0.000 0.918 2358 K CB 0.211 32.514 32.500 -0.328 0.000 1.139 2358 K HN 0.672 nan 8.250 nan 0.000 0.462 2359 L N 3.047 123.968 121.223 -0.503 0.000 2.506 2359 L HA 0.020 4.361 4.340 0.001 0.000 0.281 2359 L C 0.512 177.302 176.870 -0.133 0.000 1.228 2359 L CA 0.730 55.435 54.840 -0.225 0.000 0.850 2359 L CB 0.153 42.211 42.059 -0.001 0.000 1.110 2359 L HN 0.519 nan 8.230 nan 0.000 0.496 2360 K N 2.314 122.708 120.400 -0.011 0.000 2.464 2360 K HA 0.321 4.641 4.320 0.001 0.000 0.253 2360 K C -1.453 175.223 176.600 0.126 0.000 0.933 2360 K CA -0.737 55.573 56.287 0.037 0.000 0.801 2360 K CB 1.763 34.269 32.500 0.011 0.000 1.271 2360 K HN 0.283 nan 8.250 nan 0.000 0.430 2361 F N 4.426 124.352 119.950 -0.040 0.000 2.335 2361 F HA 0.341 4.868 4.527 0.001 0.000 0.365 2361 F C -1.010 174.723 175.800 -0.112 0.000 1.122 2361 F CA -0.881 57.076 58.000 -0.071 0.000 1.151 2361 F CB 0.511 39.485 39.000 -0.044 0.000 1.282 2361 F HN 0.469 nan 8.300 nan 0.000 0.513 2362 D N 8.510 128.661 120.400 -0.416 0.000 2.328 2362 D HA 0.324 4.964 4.640 0.001 0.000 0.243 2362 D C -2.247 173.653 176.300 -0.668 0.000 1.324 2362 D CA -2.000 51.660 54.000 -0.565 0.000 0.966 2362 D CB 1.957 42.601 40.800 -0.260 0.000 1.324 2362 D HN 0.168 nan 8.370 nan 0.000 0.549 2363 P HA -0.142 nan 4.420 nan 0.000 0.217 2363 P C 1.021 177.687 177.300 -1.057 0.000 1.148 2363 P CA 0.991 63.541 63.100 -0.917 0.000 0.828 2363 P CB 0.385 31.325 31.700 -1.268 0.000 0.783 2364 E N -0.379 119.135 120.200 -1.143 0.000 2.209 2364 E HA -0.155 4.196 4.350 0.001 0.000 0.196 2364 E C 1.937 178.138 176.600 -0.665 0.000 0.993 2364 E CA 0.877 56.514 56.400 -1.270 0.000 0.819 2364 E CB -0.681 28.743 29.700 -0.460 0.000 0.745 2364 E HN 0.365 nan 8.360 nan 0.000 0.477 2365 L N 0.382 121.346 121.223 -0.431 0.000 2.265 2365 L HA -0.157 4.183 4.340 0.001 0.000 0.215 2365 L C 2.252 179.020 176.870 -0.170 0.000 1.117 2365 L CA 0.779 55.483 54.840 -0.227 0.000 0.782 2365 L CB -0.250 41.702 42.059 -0.178 0.000 0.914 2365 L HN 0.143 nan 8.230 nan 0.000 0.441 2366 L N -2.188 118.904 121.223 -0.218 0.000 2.554 2366 L HA 0.033 4.373 4.340 0.001 0.000 0.225 2366 L C 2.181 179.182 176.870 0.220 0.000 1.104 2366 L CA 0.093 54.892 54.840 -0.070 0.000 0.866 2366 L CB -0.204 41.716 42.059 -0.233 0.000 1.047 2366 L HN 0.158 nan 8.230 nan 0.000 0.468 2367 F N 1.889 121.891 119.950 0.086 0.000 2.192 2367 F HA -0.257 4.270 4.527 0.001 0.000 0.301 2367 F C 1.810 177.681 175.800 0.119 0.000 1.079 2367 F CA 0.948 59.029 58.000 0.136 0.000 1.303 2367 F CB -0.224 38.850 39.000 0.125 0.000 1.024 2367 F HN 0.464 nan 8.300 nan 0.000 0.494 2368 N N -0.726 118.135 118.700 0.269 0.000 2.268 2368 N HA 0.046 4.787 4.740 0.001 0.000 0.204 2368 N C -0.160 175.435 175.510 0.141 0.000 1.124 2368 N CA 0.031 53.188 53.050 0.179 0.000 0.838 2368 N CB -0.099 38.471 38.487 0.139 0.000 0.994 2368 N HN 0.172 nan 8.380 nan 0.000 0.489 2369 Q N 0.387 120.279 119.800 0.154 0.000 2.248 2369 Q HA 0.367 4.707 4.340 0.001 0.000 0.263 2369 Q C -0.761 175.334 176.000 0.157 0.000 1.007 2369 Q CA -0.461 55.418 55.803 0.126 0.000 0.877 2369 Q CB 1.398 30.191 28.738 0.092 0.000 1.315 2369 Q HN 0.224 nan 8.270 nan 0.000 0.454 2370 Q N 1.497 121.376 119.800 0.132 0.000 2.314 2370 Q HA 0.454 4.795 4.340 0.001 0.000 0.257 2370 Q C -1.243 174.858 176.000 0.167 0.000 0.975 2370 Q CA -0.017 55.858 55.803 0.121 0.000 0.933 2370 Q CB 0.598 29.381 28.738 0.076 0.000 1.195 2370 Q HN 0.461 nan 8.270 nan 0.000 0.426 2371 F N 1.621 121.526 119.950 -0.075 0.000 2.615 2371 F HA 0.208 4.735 4.527 0.001 0.000 0.312 2371 F C -1.432 174.181 175.800 -0.312 0.000 1.119 2371 F CA -0.847 57.033 58.000 -0.199 0.000 0.979 2371 F CB 1.739 40.581 39.000 -0.262 0.000 1.266 2371 F HN 0.270 nan 8.300 nan 0.000 0.444 2372 Q N 5.340 124.551 119.800 -0.982 0.000 2.303 2372 Q HA 0.189 4.529 4.340 0.001 0.000 0.257 2372 Q C -1.296 174.215 176.000 -0.816 0.000 0.941 2372 Q CA -0.258 55.147 55.803 -0.663 0.000 0.931 2372 Q CB 1.183 29.665 28.738 -0.427 0.000 1.215 2372 Q HN 0.724 nan 8.270 nan 0.000 0.437 2373 Y N 2.923 123.146 120.300 -0.129 0.000 2.735 2373 Y HA 0.067 4.618 4.550 0.001 0.000 0.354 2373 Y C 0.729 176.605 175.900 -0.041 0.000 1.288 2373 Y CA -0.168 57.939 58.100 0.011 0.000 1.836 2373 Y CB 0.252 38.788 38.460 0.127 0.000 1.920 2373 Y HN 0.430 nan 8.280 nan 0.000 0.438 2374 Q N 0.342 120.115 119.800 -0.046 0.000 2.578 2374 Q HA 0.535 4.876 4.340 0.001 0.000 0.284 2374 Q C -2.049 173.896 176.000 -0.091 0.000 0.960 2374 Q CA -1.236 54.541 55.803 -0.042 0.000 0.809 2374 Q CB 2.263 30.971 28.738 -0.050 0.000 1.462 2374 Q HN 0.320 nan 8.270 nan 0.000 0.392 2375 N N -0.066 118.590 118.700 -0.073 0.000 2.504 2375 N HA 0.556 5.297 4.740 0.001 0.000 0.268 2375 N C -2.233 173.224 175.510 -0.089 0.000 1.184 2375 N CA -0.500 52.505 53.050 -0.075 0.000 0.875 2375 N CB 2.416 40.874 38.487 -0.048 0.000 1.630 2375 N HN 0.644 nan 8.380 nan 0.000 0.486 2376 R N 2.819 123.270 120.500 -0.081 0.000 2.502 2376 R HA 0.565 4.906 4.340 0.001 0.000 0.300 2376 R C -1.152 175.223 176.300 0.124 0.000 0.984 2376 R CA -0.499 55.527 56.100 -0.123 0.000 0.882 2376 R CB 0.635 30.779 30.300 -0.260 0.000 1.180 2376 R HN 0.645 nan 8.270 nan 0.000 0.444 2377 I N 3.413 124.231 120.570 0.413 0.000 2.598 2377 I HA 0.161 4.332 4.170 0.001 0.000 0.284 2377 I C 0.465 176.791 176.117 0.347 0.000 1.140 2377 I CA 0.611 62.115 61.300 0.340 0.000 1.420 2377 I CB 1.183 39.418 38.000 0.391 0.000 1.387 2377 I HN 0.726 nan 8.210 nan 0.000 0.553 2378 A N 4.806 127.697 122.820 0.118 0.000 2.327 2378 A HA 0.266 4.586 4.320 0.001 0.000 0.283 2378 A C 1.214 178.718 177.584 -0.134 0.000 1.127 2378 A CA -0.089 51.926 52.037 -0.036 0.000 0.810 2378 A CB 0.978 19.771 19.000 -0.346 0.000 1.066 2378 A HN 0.775 nan 8.150 nan 0.000 0.492 2379 S N 1.052 116.690 115.700 -0.102 0.000 2.370 2379 S HA -0.175 4.296 4.470 0.001 0.000 0.226 2379 S C 1.554 176.027 174.600 -0.211 0.000 1.033 2379 S CA 2.246 60.288 58.200 -0.262 0.000 1.011 2379 S CB -0.376 62.836 63.200 0.020 0.000 0.852 2379 S HN 0.781 nan 8.310 nan 0.000 0.457 2380 E N 0.137 120.245 120.200 -0.153 0.000 2.153 2380 E HA -0.049 4.301 4.350 0.001 0.000 0.194 2380 E C 1.551 178.032 176.600 -0.199 0.000 0.988 2380 E CA 0.997 57.322 56.400 -0.126 0.000 0.811 2380 E CB -0.315 29.321 29.700 -0.108 0.000 0.746 2380 E HN 0.604 nan 8.360 nan 0.000 0.466 2381 F N 1.594 121.130 119.950 -0.690 0.000 2.186 2381 F HA -0.092 4.436 4.527 0.001 0.000 0.299 2381 F C 1.900 177.433 175.800 -0.446 0.000 1.090 2381 F CA 1.099 58.774 58.000 -0.541 0.000 1.307 2381 F CB -0.331 38.307 39.000 -0.602 0.000 1.019 2381 F HN -0.001 nan 8.300 nan 0.000 0.489 2382 N N -0.165 118.053 118.700 -0.803 0.000 2.142 2382 N HA -0.148 4.593 4.740 0.001 0.000 0.186 2382 N C 1.708 176.591 175.510 -1.045 0.000 1.023 2382 N CA 2.094 54.179 53.050 -1.609 0.000 0.852 2382 N CB -0.578 37.058 38.487 -1.418 0.000 0.998 2382 N HN 0.246 nan 8.380 nan 0.000 0.424 2383 T N 1.698 115.964 114.554 -0.479 0.000 2.674 2383 T HA -0.133 4.217 4.350 0.001 0.000 0.265 2383 T C 1.921 176.622 174.700 0.002 0.000 1.039 2383 T CA 1.721 63.758 62.100 -0.106 0.000 1.150 2383 T CB -0.476 68.390 68.868 -0.003 0.000 0.864 2383 T HN 0.424 nan 8.240 nan 0.000 0.427 2384 L N -0.874 120.333 121.223 -0.026 0.000 2.187 2384 L HA 0.034 4.374 4.340 0.001 0.000 0.213 2384 L C 2.029 178.894 176.870 -0.008 0.000 1.100 2384 L CA 1.595 56.482 54.840 0.077 0.000 0.765 2384 L CB -1.239 40.875 42.059 0.092 0.000 0.904 2384 L HN 0.183 nan 8.230 nan 0.000 0.437 2385 Y N -0.017 119.961 120.300 -0.536 0.000 2.578 2385 Y HA 0.053 4.604 4.550 0.001 0.000 0.297 2385 Y C 0.937 176.249 175.900 -0.979 0.000 1.176 2385 Y CA -0.102 57.346 58.100 -1.087 0.000 1.315 2385 Y CB -0.120 37.665 38.460 -1.124 0.000 1.031 2385 Y HN 0.274 nan 8.280 nan 0.000 0.524 2386 H N 0.040 118.994 119.070 -0.194 0.000 3.195 2386 H HA -0.071 4.485 4.556 0.001 0.000 0.241 2386 H C -0.494 174.845 175.328 0.018 0.000 1.823 2386 H CA -0.143 55.804 56.048 -0.168 0.000 1.466 2386 H CB -0.722 29.041 29.762 0.001 0.000 1.819 2386 H HN 0.394 nan 8.280 nan 0.000 0.575 2387 W N 2.056 123.254 121.300 -0.171 0.000 2.666 2387 W HA 0.101 4.762 4.660 0.001 0.000 0.445 2387 W C 1.024 177.512 176.519 -0.052 0.000 0.693 2387 W CA -0.977 56.350 57.345 -0.030 0.000 2.192 2387 W CB -0.781 28.736 29.460 0.096 0.000 1.086 2387 W HN 0.568 nan 8.180 nan 0.000 0.747 2388 H N 0.269 119.589 119.070 0.416 0.000 2.421 2388 H HA -0.075 4.481 4.556 0.001 0.000 0.298 2388 H C -0.689 174.803 175.328 0.274 0.000 1.087 2388 H CA 1.049 57.286 56.048 0.316 0.000 1.330 2388 H CB -1.642 28.282 29.762 0.271 0.000 1.388 2388 H HN 0.122 nan 8.280 nan 0.000 0.526 2389 P HA -0.092 nan 4.420 nan 0.000 0.229 2389 P C 1.650 179.079 177.300 0.215 0.000 1.150 2389 P CA 0.659 63.889 63.100 0.215 0.000 0.765 2389 P CB -0.250 31.523 31.700 0.122 0.000 0.783 2390 L N -1.660 119.712 121.223 0.249 0.000 2.141 2390 L HA -0.061 4.280 4.340 0.001 0.000 0.209 2390 L C 1.193 178.224 176.870 0.268 0.000 1.094 2390 L CA 0.444 55.426 54.840 0.238 0.000 0.763 2390 L CB -0.461 41.772 42.059 0.290 0.000 0.908 2390 L HN -0.002 nan 8.230 nan 0.000 0.437 2391 L N 1.717 123.122 121.223 0.302 0.000 2.499 2391 L HA 0.081 4.422 4.340 0.001 0.000 0.273 2391 L C -1.783 175.230 176.870 0.239 0.000 1.195 2391 L CA -1.395 53.628 54.840 0.304 0.000 0.882 2391 L CB 0.110 42.474 42.059 0.509 0.000 1.133 2391 L HN -0.078 nan 8.230 nan 0.000 0.483 2392 P HA 0.082 nan 4.420 nan 0.000 0.279 2392 P C -0.404 176.740 177.300 -0.260 0.000 1.282 2392 P CA -0.410 62.463 63.100 -0.378 0.000 0.788 2392 P CB 1.083 32.394 31.700 -0.649 0.000 1.139 2393 D N -1.313 118.884 120.400 -0.338 0.000 2.249 2393 D HA 0.006 4.647 4.640 0.001 0.000 0.205 2393 D C 0.750 176.996 176.300 -0.090 0.000 0.962 2393 D CA 1.448 55.397 54.000 -0.085 0.000 0.860 2393 D CB 0.230 40.966 40.800 -0.108 0.000 0.955 2393 D HN 0.528 nan 8.370 nan 0.000 0.505 2394 T N -2.256 112.061 114.554 -0.395 0.000 2.864 2394 T HA 0.568 4.919 4.350 0.001 0.000 0.299 2394 T C -0.941 173.304 174.700 -0.760 0.000 1.166 2394 T CA -0.901 60.968 62.100 -0.384 0.000 1.007 2394 T CB 1.405 70.175 68.868 -0.163 0.000 1.219 2394 T HN -0.223 nan 8.240 nan 0.000 0.506 2395 F N 1.739 121.517 119.950 -0.285 0.000 2.402 2395 F HA 0.478 5.006 4.527 0.001 0.000 0.355 2395 F C 0.347 176.012 175.800 -0.226 0.000 1.123 2395 F CA -1.045 56.708 58.000 -0.412 0.000 1.021 2395 F CB 1.361 39.669 39.000 -1.154 0.000 1.160 2395 F HN 0.426 nan 8.300 nan 0.000 0.451 2396 N N 5.378 124.057 118.700 -0.035 0.000 2.439 2396 N HA 0.379 5.120 4.740 0.001 0.000 0.249 2396 N C -0.737 174.749 175.510 -0.040 0.000 1.003 2396 N CA -0.134 52.893 53.050 -0.037 0.000 0.942 2396 N CB 1.617 40.065 38.487 -0.066 0.000 1.115 2396 N HN 0.469 nan 8.380 nan 0.000 0.505 2397 I N 1.550 122.067 120.570 -0.088 0.000 2.382 2397 I HA 0.150 4.321 4.170 0.001 0.000 0.286 2397 I C 0.952 176.909 176.117 -0.267 0.000 1.002 2397 I CA -0.273 60.830 61.300 -0.327 0.000 1.135 2397 I CB 1.108 38.706 38.000 -0.670 0.000 1.288 2397 I HN 0.566 nan 8.210 nan 0.000 0.448 2398 E N 3.738 123.843 120.200 -0.157 0.000 3.132 2398 E HA -0.286 4.064 4.350 0.001 0.000 0.362 2398 E C 0.282 176.880 176.600 -0.003 0.000 1.473 2398 E CA 2.227 58.619 56.400 -0.014 0.000 1.471 2398 E CB -0.476 29.310 29.700 0.144 0.000 1.727 2398 E HN 0.781 nan 8.360 nan 0.000 0.509 2399 D N 0.202 120.626 120.400 0.040 0.000 2.355 2399 D HA -0.012 4.628 4.640 0.001 0.000 0.206 2399 D C 0.094 176.368 176.300 -0.044 0.000 1.010 2399 D CA 0.362 54.364 54.000 0.004 0.000 0.875 2399 D CB 0.083 40.896 40.800 0.022 0.000 0.966 2399 D HN 0.138 nan 8.370 nan 0.000 0.512 2400 Q N 1.088 120.856 119.800 -0.053 0.000 2.394 2400 Q HA 0.235 4.575 4.340 0.001 0.000 0.248 2400 Q C 0.087 175.875 176.000 -0.352 0.000 0.992 2400 Q CA 0.306 55.955 55.803 -0.258 0.000 0.888 2400 Q CB 1.457 29.966 28.738 -0.381 0.000 1.257 2400 Q HN 0.222 nan 8.270 nan 0.000 0.462 2401 E N 1.503 121.428 120.200 -0.459 0.000 2.241 2401 E HA 0.362 4.713 4.350 0.001 0.000 0.263 2401 E C -1.535 174.871 176.600 -0.324 0.000 0.882 2401 E CA -0.385 55.845 56.400 -0.283 0.000 0.769 2401 E CB 0.863 30.468 29.700 -0.158 0.000 1.185 2401 E HN 0.457 nan 8.360 nan 0.000 0.415 2402 Y N 1.461 121.770 120.300 0.015 0.000 2.446 2402 Y HA 0.318 4.868 4.550 0.001 0.000 0.338 2402 Y C 0.826 176.817 175.900 0.150 0.000 1.055 2402 Y CA -0.797 57.370 58.100 0.112 0.000 1.101 2402 Y CB 1.901 40.490 38.460 0.215 0.000 1.221 2402 Y HN 0.532 nan 8.280 nan 0.000 0.460 2403 S N 0.573 116.502 115.700 0.382 0.000 2.645 2403 S HA 0.245 4.715 4.470 0.001 0.000 0.266 2403 S C 0.614 175.531 174.600 0.528 0.000 1.258 2403 S CA -0.519 57.912 58.200 0.384 0.000 0.990 2403 S CB 0.438 63.819 63.200 0.302 0.000 0.967 2403 S HN 0.564 nan 8.310 nan 0.000 0.556 2404 F N 0.969 121.138 119.950 0.365 0.000 2.161 2404 F HA -0.016 4.512 4.527 0.001 0.000 0.300 2404 F C 2.575 178.565 175.800 0.316 0.000 1.089 2404 F CA 1.754 60.001 58.000 0.411 0.000 1.282 2404 F CB -0.359 38.824 39.000 0.304 0.000 1.010 2404 F HN 0.685 nan 8.300 nan 0.000 0.485 2405 K N 0.594 121.263 120.400 0.448 0.000 2.026 2405 K HA -0.222 4.098 4.320 0.001 0.000 0.208 2405 K C 1.436 178.216 176.600 0.300 0.000 1.048 2405 K CA 1.864 58.342 56.287 0.317 0.000 0.929 2405 K CB -0.187 32.461 32.500 0.246 0.000 0.713 2405 K HN 0.385 nan 8.250 nan 0.000 0.439 2406 Q N -1.223 118.780 119.800 0.338 0.000 2.322 2406 Q HA 0.037 4.377 4.340 0.001 0.000 0.203 2406 Q C 0.389 176.587 176.000 0.329 0.000 0.923 2406 Q CA 0.110 56.109 55.803 0.328 0.000 0.949 2406 Q CB 0.140 29.110 28.738 0.386 0.000 1.039 2406 Q HN 0.145 nan 8.270 nan 0.000 0.496 2407 F N 0.969 120.982 119.950 0.105 0.000 2.764 2407 F HA 0.409 4.937 4.527 0.001 0.000 0.310 2407 F C -0.980 174.782 175.800 -0.064 0.000 1.124 2407 F CA -0.646 57.320 58.000 -0.056 0.000 1.252 2407 F CB 0.873 39.787 39.000 -0.142 0.000 1.010 2407 F HN -0.121 nan 8.300 nan 0.000 0.518 2408 L N 0.116 121.387 121.223 0.079 0.000 2.528 2408 L HA 0.281 4.622 4.340 0.001 0.000 0.267 2408 L C -0.370 176.603 176.870 0.172 0.000 0.961 2408 L CA -0.575 54.290 54.840 0.042 0.000 0.866 2408 L CB 1.568 43.666 42.059 0.064 0.000 1.248 2408 L HN 0.247 nan 8.230 nan 0.000 0.404 2409 Y N 0.357 120.673 120.300 0.026 0.000 4.839 2409 Y HA -0.253 4.297 4.550 0.001 0.000 0.288 2409 Y C 0.712 176.640 175.900 0.046 0.000 0.883 2409 Y CA 0.005 58.143 58.100 0.064 0.000 1.671 2409 Y CB -0.212 38.311 38.460 0.105 0.000 1.041 2409 Y HN 0.731 nan 8.280 nan 0.000 0.450 2410 N N 2.007 120.788 118.700 0.135 0.000 2.817 2410 N HA 0.193 4.934 4.740 0.001 0.000 0.234 2410 N C -0.008 175.483 175.510 -0.033 0.000 1.066 2410 N CA 0.147 53.224 53.050 0.046 0.000 0.926 2410 N CB 0.142 38.653 38.487 0.039 0.000 1.176 2410 N HN 0.387 nan 8.380 nan 0.000 0.506 2411 N N -0.062 118.639 118.700 0.001 0.000 2.381 2411 N HA -0.127 4.614 4.740 0.001 0.000 0.182 2411 N C 1.380 176.865 175.510 -0.042 0.000 1.025 2411 N CA 0.827 53.883 53.050 0.010 0.000 0.888 2411 N CB 0.195 38.765 38.487 0.138 0.000 0.965 2411 N HN 0.377 nan 8.380 nan 0.000 0.438 2412 S N 0.928 116.600 115.700 -0.046 0.000 2.419 2412 S HA -0.079 4.392 4.470 0.001 0.000 0.233 2412 S C 1.835 176.434 174.600 -0.001 0.000 1.016 2412 S CA 0.698 58.875 58.200 -0.038 0.000 0.974 2412 S CB -0.458 62.731 63.200 -0.018 0.000 0.786 2412 S HN 0.308 nan 8.310 nan 0.000 0.492 2413 I N 1.041 121.620 120.570 0.015 0.000 2.208 2413 I HA -0.171 3.999 4.170 0.001 0.000 0.245 2413 I C 2.412 178.684 176.117 0.259 0.000 1.097 2413 I CA 0.938 62.327 61.300 0.147 0.000 1.363 2413 I CB -0.401 37.594 38.000 -0.009 0.000 1.051 2413 I HN 0.248 nan 8.210 nan 0.000 0.413 2414 L N 0.669 121.846 121.223 -0.077 0.000 2.027 2414 L HA -0.157 4.184 4.340 0.001 0.000 0.206 2414 L C 2.263 179.010 176.870 -0.205 0.000 1.074 2414 L CA 1.827 56.369 54.840 -0.497 0.000 0.745 2414 L CB -0.450 41.182 42.059 -0.712 0.000 0.898 2414 L HN 0.128 nan 8.230 nan 0.000 0.433 2415 L N -0.829 120.300 121.223 -0.156 0.000 2.141 2415 L HA -0.149 4.192 4.340 0.001 0.000 0.209 2415 L C 2.615 179.472 176.870 -0.022 0.000 1.094 2415 L CA 1.043 55.808 54.840 -0.124 0.000 0.763 2415 L CB -0.520 41.431 42.059 -0.180 0.000 0.908 2415 L HN 0.409 nan 8.230 nan 0.000 0.437 2416 E N -0.228 119.972 120.200 0.000 0.000 2.047 2416 E HA -0.220 4.131 4.350 0.001 0.000 0.191 2416 E C 1.984 178.535 176.600 -0.083 0.000 0.987 2416 E CA 1.557 57.932 56.400 -0.041 0.000 0.799 2416 E CB 0.098 29.770 29.700 -0.047 0.000 0.752 2416 E HN 0.609 nan 8.360 nan 0.000 0.449 2417 H N -1.320 117.845 119.070 0.158 0.000 2.451 2417 H HA 0.214 4.771 4.556 0.001 0.000 0.294 2417 H C 0.772 176.186 175.328 0.144 0.000 1.028 2417 H CA 0.702 56.861 56.048 0.186 0.000 1.349 2417 H CB 0.685 30.626 29.762 0.299 0.000 1.444 2417 H HN 0.300 nan 8.280 nan 0.000 0.538 2418 G N -0.148 108.780 108.800 0.213 0.000 2.690 2418 G HA2 -0.196 3.765 3.960 0.001 0.000 0.686 2418 G HA3 -0.196 3.765 3.960 0.001 0.000 0.686 2418 G C 0.378 175.313 174.900 0.059 0.000 1.277 2418 G CA -0.252 44.911 45.100 0.105 0.000 0.799 2418 G HN 0.145 nan 8.290 nan 0.000 0.613 2419 L N 0.763 121.954 121.223 -0.053 0.000 2.083 2419 L HA -0.106 4.234 4.340 0.001 0.000 0.209 2419 L C 3.195 180.040 176.870 -0.041 0.000 1.083 2419 L CA 2.837 57.604 54.840 -0.121 0.000 0.752 2419 L CB -1.635 40.309 42.059 -0.191 0.000 0.899 2419 L HN 0.849 nan 8.230 nan 0.000 0.433 2420 T N -0.760 113.782 114.554 -0.019 0.000 2.684 2420 T HA -0.254 4.097 4.350 0.001 0.000 0.267 2420 T C 1.940 176.654 174.700 0.024 0.000 1.036 2420 T CA 1.378 63.474 62.100 -0.007 0.000 1.148 2420 T CB -0.163 68.704 68.868 -0.001 0.000 0.863 2420 T HN 0.359 nan 8.240 nan 0.000 0.436 2421 Q N -0.393 119.451 119.800 0.073 0.000 2.079 2421 Q HA -0.022 4.318 4.340 0.001 0.000 0.200 2421 Q C 2.067 178.057 176.000 -0.017 0.000 0.974 2421 Q CA 1.197 57.041 55.803 0.068 0.000 0.840 2421 Q CB -0.294 28.543 28.738 0.164 0.000 0.898 2421 Q HN 0.413 nan 8.270 nan 0.000 0.430 2422 F N -0.106 119.708 119.950 -0.227 0.000 2.126 2422 F HA -0.247 4.281 4.527 0.001 0.000 0.299 2422 F C 2.171 177.693 175.800 -0.463 0.000 1.096 2422 F CA 1.011 58.715 58.000 -0.493 0.000 1.255 2422 F CB -0.355 38.317 39.000 -0.546 0.000 0.997 2422 F HN -0.115 nan 8.300 nan 0.000 0.479 2423 V N -0.320 119.554 119.914 -0.067 0.000 2.307 2423 V HA -0.271 3.849 4.120 0.001 0.000 0.245 2423 V C 2.116 178.224 176.094 0.024 0.000 1.045 2423 V CA 2.066 64.352 62.300 -0.024 0.000 1.024 2423 V CB -0.635 31.160 31.823 -0.046 0.000 0.651 2423 V HN 0.301 nan 8.190 nan 0.000 0.449 2424 E N 0.277 120.482 120.200 0.009 0.000 2.077 2424 E HA -0.176 4.175 4.350 0.001 0.000 0.193 2424 E C 2.389 179.020 176.600 0.050 0.000 0.989 2424 E CA 1.685 58.111 56.400 0.042 0.000 0.800 2424 E CB -0.219 29.501 29.700 0.033 0.000 0.746 2424 E HN 0.549 nan 8.360 nan 0.000 0.452 2425 S N 0.486 116.179 115.700 -0.013 0.000 2.355 2425 S HA -0.083 4.387 4.470 0.001 0.000 0.222 2425 S C 1.639 176.361 174.600 0.202 0.000 1.031 2425 S CA 0.719 58.922 58.200 0.005 0.000 0.993 2425 S CB -0.206 62.889 63.200 -0.175 0.000 0.859 2425 S HN 0.175 nan 8.310 nan 0.000 0.453 2426 F N 2.415 122.370 119.950 0.008 0.000 2.293 2426 F HA -0.006 4.521 4.527 0.001 0.000 0.300 2426 F C 2.631 178.510 175.800 0.132 0.000 1.086 2426 F CA 0.492 58.552 58.000 0.100 0.000 1.375 2426 F CB -1.673 37.409 39.000 0.138 0.000 1.045 2426 F HN 0.172 nan 8.300 nan 0.000 0.516 2427 T N -0.392 114.334 114.554 0.287 0.000 2.904 2427 T HA -0.102 4.248 4.350 0.001 0.000 0.267 2427 T C 2.123 176.929 174.700 0.177 0.000 1.059 2427 T CA 0.932 63.153 62.100 0.201 0.000 1.137 2427 T CB -0.022 68.931 68.868 0.142 0.000 0.879 2427 T HN 0.227 nan 8.240 nan 0.000 0.467 2428 R N 0.851 121.447 120.500 0.160 0.000 2.093 2428 R HA 0.129 4.469 4.340 0.001 0.000 0.224 2428 R C 1.461 177.826 176.300 0.108 0.000 1.101 2428 R CA 0.336 56.507 56.100 0.119 0.000 0.979 2428 R CB -0.056 30.296 30.300 0.087 0.000 0.877 2428 R HN 0.384 nan 8.270 nan 0.000 0.441 2429 Q N 1.844 121.721 119.800 0.129 0.000 2.286 2429 Q HA 0.131 4.471 4.340 0.001 0.000 0.267 2429 Q C -0.568 175.492 176.000 0.101 0.000 1.028 2429 Q CA -0.095 55.762 55.803 0.091 0.000 0.901 2429 Q CB 0.702 29.492 28.738 0.087 0.000 1.183 2429 Q HN 0.136 nan 8.270 nan 0.000 0.392 2430 I N 3.102 123.729 120.570 0.094 0.000 2.720 2430 I HA 0.378 4.549 4.170 0.001 0.000 0.287 2430 I C -0.448 175.788 176.117 0.198 0.000 1.090 2430 I CA 0.036 61.419 61.300 0.138 0.000 1.384 2430 I CB 0.948 39.043 38.000 0.158 0.000 1.420 2430 I HN 0.787 nan 8.210 nan 0.000 0.575 2431 A N 4.916 127.857 122.820 0.202 0.000 2.281 2431 A HA 0.746 5.066 4.320 0.001 0.000 0.329 2431 A C 0.091 177.841 177.584 0.276 0.000 1.122 2431 A CA -0.174 52.013 52.037 0.249 0.000 0.850 2431 A CB 0.626 19.732 19.000 0.176 0.000 1.207 2431 A HN 0.869 nan 8.150 nan 0.000 0.495 2432 G N -0.330 108.648 108.800 0.296 0.000 2.507 2432 G HA2 0.469 4.429 3.960 0.001 0.000 0.271 2432 G HA3 0.469 4.429 3.960 0.001 0.000 0.271 2432 G C 0.180 174.996 174.900 -0.139 0.000 1.189 2432 G CA -0.583 44.474 45.100 -0.073 0.000 0.859 2432 G HN 0.895 nan 8.290 nan 0.000 0.542 2433 R N 0.472 120.815 120.500 -0.262 0.000 2.539 2433 R HA 0.286 4.627 4.340 0.001 0.000 0.275 2433 R C 0.700 176.910 176.300 -0.149 0.000 1.077 2433 R CA -0.555 55.406 56.100 -0.232 0.000 1.097 2433 R CB 0.934 31.088 30.300 -0.243 0.000 1.018 2433 R HN 0.242 nan 8.270 nan 0.000 0.483 2434 V N 3.284 123.107 119.914 -0.151 0.000 2.391 2434 V HA 0.101 4.222 4.120 0.001 0.000 0.237 2434 V C 1.266 177.342 176.094 -0.030 0.000 1.046 2434 V CA 1.338 63.611 62.300 -0.046 0.000 1.053 2434 V CB -0.761 31.066 31.823 0.006 0.000 0.704 2434 V HN 0.944 nan 8.190 nan 0.000 0.475 2435 A N -0.375 122.434 122.820 -0.017 0.000 2.251 2435 A HA 0.453 4.774 4.320 0.001 0.000 0.277 2435 A C 1.757 179.299 177.584 -0.069 0.000 1.313 2435 A CA 0.879 52.898 52.037 -0.030 0.000 0.813 2435 A CB -0.921 18.071 19.000 -0.012 0.000 1.210 2435 A HN 1.406 nan 8.150 nan 0.000 0.509 2436 G N -2.350 106.409 108.800 -0.070 0.000 2.527 2436 G HA2 0.362 4.323 3.960 0.001 0.000 0.218 2436 G HA3 0.362 4.323 3.960 0.001 0.000 0.218 2436 G C 1.607 176.467 174.900 -0.067 0.000 1.177 2436 G CA 0.786 45.840 45.100 -0.077 0.000 0.695 2436 G HN 3.108 nan 8.290 nan 0.000 0.517 2437 G N -0.657 108.105 108.800 -0.063 0.000 2.617 2437 G HA2 0.431 4.391 3.960 0.001 0.000 0.686 2437 G HA3 0.431 4.391 3.960 0.001 0.000 0.686 2437 G C 0.089 174.962 174.900 -0.044 0.000 1.214 2437 G CA 0.282 45.351 45.100 -0.052 0.000 0.796 2437 G HN 1.796 nan 8.290 nan 0.000 0.654 2438 R N -0.354 120.128 120.500 -0.030 0.000 2.965 2438 R HA -0.228 4.112 4.340 0.001 0.000 0.245 2438 R C 0.344 176.634 176.300 -0.017 0.000 0.861 2438 R CA 1.045 57.134 56.100 -0.018 0.000 0.614 2438 R CB -0.994 29.294 30.300 -0.020 0.000 1.229 2438 R HN 0.670 nan 8.270 nan 0.000 0.503 2439 N N -0.371 118.327 118.700 -0.002 0.000 2.217 2439 N HA 0.073 4.814 4.740 0.001 0.000 0.239 2439 N C -1.027 174.525 175.510 0.070 0.000 1.330 2439 N CA -0.027 53.028 53.050 0.008 0.000 0.838 2439 N CB 1.213 39.672 38.487 -0.047 0.000 1.287 2439 N HN 0.114 nan 8.380 nan 0.000 0.498 2440 V N 3.053 123.012 119.914 0.075 0.000 2.408 2440 V HA 0.369 4.490 4.120 0.001 0.000 0.267 2440 V C -2.050 174.091 176.094 0.078 0.000 1.047 2440 V CA -1.484 60.885 62.300 0.114 0.000 0.937 2440 V CB 0.973 32.865 31.823 0.114 0.000 0.999 2440 V HN 0.084 nan 8.190 nan 0.000 0.472 2441 P HA 0.060 nan 4.420 nan 0.000 0.261 2441 P C 0.848 178.097 177.300 -0.085 0.000 1.183 2441 P CA -0.004 63.095 63.100 -0.001 0.000 0.761 2441 P CB 0.543 32.230 31.700 -0.022 0.000 0.785 2442 I N 3.707 124.224 120.570 -0.088 0.000 2.315 2442 I HA -0.273 3.898 4.170 0.001 0.000 0.251 2442 I C 2.259 178.280 176.117 -0.160 0.000 1.125 2442 I CA 1.665 62.909 61.300 -0.092 0.000 1.392 2442 I CB -1.195 36.766 38.000 -0.066 0.000 1.065 2442 I HN 0.392 nan 8.210 nan 0.000 0.424 2443 A N -0.978 121.663 122.820 -0.299 0.000 2.131 2443 A HA -0.093 4.228 4.320 0.001 0.000 0.220 2443 A C 2.082 179.464 177.584 -0.337 0.000 1.158 2443 A CA 1.496 53.283 52.037 -0.417 0.000 0.665 2443 A CB -0.409 18.040 19.000 -0.920 0.000 0.795 2443 A HN 0.272 nan 8.150 nan 0.000 0.460 2444 V N 0.284 120.043 119.914 -0.260 0.000 3.078 2444 V HA 0.014 4.135 4.120 0.001 0.000 0.344 2444 V C 1.735 177.763 176.094 -0.111 0.000 1.409 2444 V CA 0.565 62.777 62.300 -0.146 0.000 1.146 2444 V CB -0.020 31.760 31.823 -0.072 0.000 1.126 2444 V HN 0.871 nan 8.190 nan 0.000 0.513 2445 Q N 0.528 120.276 119.800 -0.088 0.000 2.170 2445 Q HA -0.122 4.218 4.340 0.001 0.000 0.203 2445 Q C 1.966 177.932 176.000 -0.057 0.000 0.976 2445 Q CA 1.984 57.757 55.803 -0.051 0.000 0.858 2445 Q CB -0.400 28.315 28.738 -0.039 0.000 0.907 2445 Q HN 0.543 nan 8.270 nan 0.000 0.433 2446 A N 1.087 123.864 122.820 -0.072 0.000 1.972 2446 A HA -0.080 4.241 4.320 0.001 0.000 0.219 2446 A C 2.316 179.837 177.584 -0.106 0.000 1.169 2446 A CA 1.362 53.354 52.037 -0.074 0.000 0.635 2446 A CB -0.631 18.328 19.000 -0.068 0.000 0.810 2446 A HN 0.262 nan 8.150 nan 0.000 0.446 2447 V N -0.338 119.489 119.914 -0.146 0.000 2.358 2447 V HA -0.210 3.911 4.120 0.001 0.000 0.246 2447 V C 3.010 178.977 176.094 -0.213 0.000 1.047 2447 V CA 1.835 64.002 62.300 -0.222 0.000 1.035 2447 V CB -1.027 30.569 31.823 -0.379 0.000 0.658 2447 V HN 0.602 nan 8.190 nan 0.000 0.452 2448 A N -0.785 121.972 122.820 -0.106 0.000 1.969 2448 A HA -0.200 4.121 4.320 0.001 0.000 0.218 2448 A C 2.339 179.937 177.584 0.023 0.000 1.169 2448 A CA 1.784 53.851 52.037 0.049 0.000 0.635 2448 A CB -0.388 18.706 19.000 0.158 0.000 0.810 2448 A HN 0.471 nan 8.150 nan 0.000 0.445 2449 K N -0.386 119.998 120.400 -0.026 0.000 2.103 2449 K HA -0.011 4.310 4.320 0.001 0.000 0.204 2449 K C 2.194 178.744 176.600 -0.084 0.000 1.052 2449 K CA 0.924 57.195 56.287 -0.026 0.000 0.945 2449 K CB -0.236 32.246 32.500 -0.030 0.000 0.722 2449 K HN 0.396 nan 8.250 nan 0.000 0.443 2450 A N 0.711 123.448 122.820 -0.138 0.000 1.902 2450 A HA -0.140 4.180 4.320 0.001 0.000 0.217 2450 A C 2.136 179.553 177.584 -0.279 0.000 1.181 2450 A CA 1.975 53.907 52.037 -0.175 0.000 0.623 2450 A CB -0.566 18.329 19.000 -0.174 0.000 0.818 2450 A HN 0.290 nan 8.150 nan 0.000 0.443 2451 S N 0.007 115.435 115.700 -0.454 0.000 2.370 2451 S HA -0.157 4.314 4.470 0.001 0.000 0.226 2451 S C 1.800 176.114 174.600 -0.477 0.000 1.033 2451 S CA 1.621 59.368 58.200 -0.756 0.000 1.011 2451 S CB -0.524 61.770 63.200 -1.510 0.000 0.852 2451 S HN 0.562 nan 8.310 nan 0.000 0.457 2452 I N 1.641 122.083 120.570 -0.214 0.000 2.163 2452 I HA -0.175 3.996 4.170 0.001 0.000 0.240 2452 I C 2.092 178.164 176.117 -0.074 0.000 1.081 2452 I CA 1.224 62.507 61.300 -0.027 0.000 1.353 2452 I CB -0.594 37.458 38.000 0.086 0.000 1.054 2452 I HN 0.162 nan 8.210 nan 0.000 0.407 2453 D N 0.754 121.106 120.400 -0.080 0.000 2.104 2453 D HA -0.215 4.426 4.640 0.001 0.000 0.194 2453 D C 2.246 178.493 176.300 -0.088 0.000 0.994 2453 D CA 1.373 55.335 54.000 -0.064 0.000 0.830 2453 D CB -0.360 40.407 40.800 -0.056 0.000 0.959 2453 D HN 0.401 nan 8.370 nan 0.000 0.452 2454 Q N 0.171 119.886 119.800 -0.141 0.000 2.119 2454 Q HA -0.060 4.281 4.340 0.001 0.000 0.201 2454 Q C 2.285 178.154 176.000 -0.218 0.000 0.972 2454 Q CA 1.159 56.875 55.803 -0.146 0.000 0.847 2454 Q CB 0.048 28.688 28.738 -0.163 0.000 0.903 2454 Q HN 0.124 nan 8.270 nan 0.000 0.433 2455 S N 0.539 116.025 115.700 -0.355 0.000 2.382 2455 S HA -0.138 4.332 4.470 0.001 0.000 0.228 2455 S C 1.729 176.168 174.600 -0.269 0.000 1.027 2455 S CA 1.039 58.860 58.200 -0.632 0.000 0.991 2455 S CB -0.138 62.688 63.200 -0.622 0.000 0.823 2455 S HN 0.328 nan 8.310 nan 0.000 0.469 2456 R N 1.069 121.506 120.500 -0.104 0.000 2.075 2456 R HA -0.018 4.323 4.340 0.001 0.000 0.232 2456 R C 2.358 178.678 176.300 0.034 0.000 1.126 2456 R CA 1.125 57.231 56.100 0.010 0.000 0.963 2456 R CB -0.267 30.046 30.300 0.021 0.000 0.858 2456 R HN 0.511 nan 8.270 nan 0.000 0.435 2457 E N 0.733 120.937 120.200 0.007 0.000 2.038 2457 E HA -0.177 4.173 4.350 0.001 0.000 0.195 2457 E C 1.632 178.284 176.600 0.087 0.000 1.000 2457 E CA 1.385 57.811 56.400 0.043 0.000 0.803 2457 E CB -0.049 29.669 29.700 0.031 0.000 0.750 2457 E HN 0.305 nan 8.360 nan 0.000 0.448 2458 M N 0.795 120.449 119.600 0.089 0.000 2.696 2458 M HA 0.023 4.504 4.480 0.001 0.000 0.220 2458 M C -0.390 176.070 176.300 0.266 0.000 1.133 2458 M CA 0.416 55.826 55.300 0.184 0.000 1.016 2458 M CB -0.031 32.711 32.600 0.237 0.000 1.740 2458 M HN -0.120 nan 8.290 nan 0.000 0.502 2459 K N 0.397 120.918 120.400 0.202 0.000 3.490 2459 K HA -0.210 4.111 4.320 0.001 0.000 0.273 2459 K C -1.048 175.724 176.600 0.287 0.000 0.916 2459 K CA 0.730 57.136 56.287 0.197 0.000 0.718 2459 K CB -2.014 30.564 32.500 0.130 0.000 1.477 2459 K HN 0.285 nan 8.250 nan 0.000 0.452 2460 Y N 1.226 121.593 120.300 0.112 0.000 2.480 2460 Y HA 0.000 4.551 4.550 0.001 0.000 0.338 2460 Y C 1.680 177.700 175.900 0.200 0.000 1.220 2460 Y CA 0.074 58.290 58.100 0.192 0.000 1.430 2460 Y CB 0.529 39.100 38.460 0.185 0.000 1.311 2460 Y HN 0.208 nan 8.280 nan 0.000 0.575 2461 Q N 0.723 120.719 119.800 0.328 0.000 2.318 2461 Q HA 0.287 4.627 4.340 0.001 0.000 0.222 2461 Q C 0.199 176.371 176.000 0.287 0.000 1.003 2461 Q CA -0.610 55.284 55.803 0.152 0.000 0.936 2461 Q CB 0.796 29.450 28.738 -0.140 0.000 1.204 2461 Q HN 0.816 nan 8.270 nan 0.000 0.524 2462 S N 0.034 115.832 115.700 0.164 0.000 2.587 2462 S HA -0.064 4.406 4.470 0.001 0.000 0.260 2462 S C 0.979 175.727 174.600 0.247 0.000 1.353 2462 S CA -0.312 57.993 58.200 0.176 0.000 0.995 2462 S CB 0.353 63.604 63.200 0.086 0.000 0.912 2462 S HN 0.662 nan 8.310 nan 0.000 0.568 2463 L N 1.761 123.092 121.223 0.179 0.000 2.046 2463 L HA -0.073 4.268 4.340 0.001 0.000 0.208 2463 L C 2.034 178.994 176.870 0.149 0.000 1.077 2463 L CA 2.109 57.058 54.840 0.183 0.000 0.747 2463 L CB -1.237 40.880 42.059 0.097 0.000 0.896 2463 L HN 0.852 nan 8.230 nan 0.000 0.432 2464 N N -0.956 117.784 118.700 0.067 0.000 2.244 2464 N HA -0.166 4.575 4.740 0.001 0.000 0.183 2464 N C 1.558 177.067 175.510 -0.001 0.000 1.016 2464 N CA 0.858 53.913 53.050 0.009 0.000 0.866 2464 N CB 0.034 38.506 38.487 -0.025 0.000 0.980 2464 N HN 0.424 nan 8.380 nan 0.000 0.430 2465 E N 0.264 120.462 120.200 -0.003 0.000 2.106 2465 E HA -0.132 4.219 4.350 0.001 0.000 0.192 2465 E C 1.400 177.934 176.600 -0.110 0.000 0.984 2465 E CA 1.013 57.354 56.400 -0.099 0.000 0.806 2465 E CB -0.255 29.341 29.700 -0.173 0.000 0.750 2465 E HN 0.508 nan 8.360 nan 0.000 0.458 2466 Y N 0.872 121.205 120.300 0.055 0.000 2.314 2466 Y HA -0.051 4.500 4.550 0.001 0.000 0.293 2466 Y C 2.529 178.537 175.900 0.179 0.000 1.129 2466 Y CA 1.000 59.186 58.100 0.143 0.000 1.201 2466 Y CB -0.024 38.521 38.460 0.143 0.000 0.999 2466 Y HN -0.047 nan 8.280 nan 0.000 0.541 2467 R N 0.063 120.684 120.500 0.201 0.000 2.073 2467 R HA -0.165 4.176 4.340 0.001 0.000 0.234 2467 R C 2.117 178.458 176.300 0.068 0.000 1.134 2467 R CA 1.646 57.803 56.100 0.094 0.000 0.952 2467 R CB -0.157 30.108 30.300 -0.058 0.000 0.850 2467 R HN 0.231 nan 8.270 nan 0.000 0.433 2468 K N -0.106 120.297 120.400 0.005 0.000 2.057 2468 K HA -0.164 4.157 4.320 0.001 0.000 0.207 2468 K C 2.045 178.616 176.600 -0.048 0.000 1.049 2468 K CA 1.153 57.415 56.287 -0.041 0.000 0.931 2468 K CB -0.107 32.343 32.500 -0.084 0.000 0.714 2468 K HN -0.123 nan 8.250 nan 0.000 0.440 2469 R N 0.521 120.991 120.500 -0.050 0.000 2.170 2469 R HA -0.115 4.225 4.340 0.001 0.000 0.242 2469 R C 0.567 176.651 176.300 -0.361 0.000 1.145 2469 R CA 1.554 57.545 56.100 -0.181 0.000 0.984 2469 R CB -0.390 29.828 30.300 -0.137 0.000 0.869 2469 R HN 0.166 nan 8.270 nan 0.000 0.455 2470 F N -0.150 119.770 119.950 -0.050 0.000 2.772 2470 F HA 0.293 4.821 4.527 0.001 0.000 0.302 2470 F C 0.539 176.307 175.800 -0.053 0.000 1.136 2470 F CA -0.042 57.910 58.000 -0.080 0.000 1.322 2470 F CB 0.359 39.312 39.000 -0.079 0.000 0.967 2470 F HN -0.125 nan 8.300 nan 0.000 0.513 2471 S N 0.777 116.504 115.700 0.045 0.000 3.561 2471 S HA -0.190 4.281 4.470 0.001 0.000 0.318 2471 S C -0.025 174.607 174.600 0.053 0.000 1.181 2471 S CA 0.308 58.545 58.200 0.063 0.000 0.916 2471 S CB -1.880 61.398 63.200 0.131 0.000 0.966 2471 S HN 0.293 nan 8.310 nan 0.000 0.550 2472 L N 0.536 121.777 121.223 0.030 0.000 2.331 2472 L HA 0.488 4.828 4.340 0.001 0.000 0.275 2472 L C 0.590 177.412 176.870 -0.081 0.000 1.022 2472 L CA -0.852 53.974 54.840 -0.024 0.000 0.812 2472 L CB 0.873 42.908 42.059 -0.040 0.000 1.257 2472 L HN -0.026 nan 8.230 nan 0.000 0.435 2473 K N 2.773 123.102 120.400 -0.117 0.000 2.339 2473 K HA 0.256 4.577 4.320 0.001 0.000 0.286 2473 K C -2.281 174.177 176.600 -0.236 0.000 1.050 2473 K CA -1.601 54.607 56.287 -0.132 0.000 0.956 2473 K CB 0.508 32.950 32.500 -0.095 0.000 0.990 2473 K HN 0.266 nan 8.250 nan 0.000 0.475 2474 P HA -0.059 nan 4.420 nan 0.000 0.269 2474 P C -0.869 176.322 177.300 -0.182 0.000 1.215 2474 P CA 0.238 63.221 63.100 -0.194 0.000 0.780 2474 P CB 0.337 31.977 31.700 -0.100 0.000 0.898 2475 Y N 0.084 120.337 120.300 -0.078 0.000 2.309 2475 Y HA 0.109 4.660 4.550 0.001 0.000 0.327 2475 Y C 2.082 177.906 175.900 -0.126 0.000 1.172 2475 Y CA -0.003 58.035 58.100 -0.103 0.000 1.280 2475 Y CB 0.720 39.095 38.460 -0.142 0.000 1.234 2475 Y HN 0.374 nan 8.280 nan 0.000 0.512 2476 T N -2.699 111.904 114.554 0.082 0.000 3.040 2476 T HA 0.178 4.528 4.350 0.001 0.000 0.250 2476 T C 0.086 174.761 174.700 -0.042 0.000 1.058 2476 T CA 0.258 62.360 62.100 0.002 0.000 0.988 2476 T CB -0.053 68.825 68.868 0.017 0.000 0.993 2476 T HN 0.496 nan 8.240 nan 0.000 0.519 2477 S N -0.796 114.855 115.700 -0.082 0.000 2.552 2477 S HA 0.526 4.997 4.470 0.001 0.000 0.272 2477 S C -0.213 174.267 174.600 -0.200 0.000 1.150 2477 S CA -0.931 57.203 58.200 -0.109 0.000 0.849 2477 S CB 0.157 63.359 63.200 0.003 0.000 1.113 2477 S HN -0.065 nan 8.310 nan 0.000 0.458 2478 F N 1.232 121.152 119.950 -0.051 0.000 2.269 2478 F HA 0.051 4.578 4.527 0.001 0.000 0.301 2478 F C 2.524 178.248 175.800 -0.127 0.000 1.082 2478 F CA 1.488 59.430 58.000 -0.096 0.000 1.360 2478 F CB -0.201 38.769 39.000 -0.050 0.000 1.041 2478 F HN 0.711 nan 8.300 nan 0.000 0.512 2479 E N -0.075 120.171 120.200 0.078 0.000 2.150 2479 E HA -0.215 4.135 4.350 0.001 0.000 0.193 2479 E C 2.115 178.672 176.600 -0.072 0.000 0.985 2479 E CA 0.846 57.252 56.400 0.009 0.000 0.814 2479 E CB -0.168 29.547 29.700 0.025 0.000 0.752 2479 E HN 0.500 nan 8.360 nan 0.000 0.466 2480 E N 0.657 120.791 120.200 -0.110 0.000 2.106 2480 E HA -0.192 4.159 4.350 0.001 0.000 0.192 2480 E C 2.198 178.542 176.600 -0.426 0.000 0.984 2480 E CA 0.506 56.814 56.400 -0.154 0.000 0.806 2480 E CB 0.083 29.754 29.700 -0.049 0.000 0.750 2480 E HN 0.101 nan 8.360 nan 0.000 0.458 2481 L N 0.705 121.530 121.223 -0.663 0.000 2.005 2481 L HA -0.145 4.196 4.340 0.001 0.000 0.207 2481 L C 2.559 179.158 176.870 -0.450 0.000 1.072 2481 L CA 2.705 56.951 54.840 -0.990 0.000 0.744 2481 L CB -0.974 40.656 42.059 -0.715 0.000 0.895 2481 L HN 0.199 nan 8.230 nan 0.000 0.433 2482 T N -3.531 110.884 114.554 -0.231 0.000 3.014 2482 T HA 0.210 4.561 4.350 0.001 0.000 0.263 2482 T C 1.566 176.208 174.700 -0.097 0.000 1.078 2482 T CA 0.563 62.588 62.100 -0.124 0.000 1.135 2482 T CB -0.510 68.322 68.868 -0.061 0.000 0.895 2482 T HN 0.866 nan 8.240 nan 0.000 0.480 2483 G N 1.609 110.352 108.800 -0.096 0.000 2.143 2483 G HA2 -0.126 3.834 3.960 0.001 0.000 0.248 2483 G HA3 -0.126 3.834 3.960 0.001 0.000 0.248 2483 G C -0.182 174.696 174.900 -0.037 0.000 0.991 2483 G CA 0.607 45.672 45.100 -0.058 0.000 0.689 2483 G HN 1.040 nan 8.290 nan 0.000 0.522 2484 E N -2.428 117.752 120.200 -0.034 0.000 2.408 2484 E HA 0.770 5.120 4.350 0.001 0.000 0.266 2484 E C 0.707 177.300 176.600 -0.012 0.000 1.025 2484 E CA -0.756 55.631 56.400 -0.022 0.000 0.881 2484 E CB 0.116 29.800 29.700 -0.026 0.000 1.660 2484 E HN 0.002 nan 8.360 nan 0.000 0.458 2485 K N -0.336 120.058 120.400 -0.010 0.000 2.344 2485 K HA 0.139 4.460 4.320 0.001 0.000 0.200 2485 K C 1.664 178.258 176.600 -0.010 0.000 1.132 2485 K CA 0.467 56.751 56.287 -0.005 0.000 0.935 2485 K CB 0.327 32.824 32.500 -0.004 0.000 1.089 2485 K HN 0.587 nan 8.250 nan 0.000 0.496 2486 E N 1.863 122.054 120.200 -0.015 0.000 2.012 2486 E HA -0.162 4.189 4.350 0.001 0.000 0.197 2486 E C 2.074 178.659 176.600 -0.025 0.000 1.007 2486 E CA 1.486 57.874 56.400 -0.020 0.000 0.816 2486 E CB 0.029 29.717 29.700 -0.020 0.000 0.762 2486 E HN 0.123 nan 8.360 nan 0.000 0.451 2487 M N 0.152 119.738 119.600 -0.023 0.000 2.117 2487 M HA -0.144 4.336 4.480 0.001 0.000 0.262 2487 M C 2.466 178.751 176.300 -0.027 0.000 1.065 2487 M CA 1.411 56.696 55.300 -0.024 0.000 1.114 2487 M CB -0.227 32.361 32.600 -0.021 0.000 1.361 2487 M HN 0.269 nan 8.290 nan 0.000 0.408 2488 A N 0.557 123.373 122.820 -0.007 0.000 1.917 2488 A HA -0.150 4.170 4.320 0.001 0.000 0.219 2488 A C 2.358 179.911 177.584 -0.053 0.000 1.182 2488 A CA 2.169 54.222 52.037 0.028 0.000 0.633 2488 A CB -0.999 18.039 19.000 0.063 0.000 0.819 2488 A HN 0.522 nan 8.150 nan 0.000 0.448 2489 A N -0.576 122.215 122.820 -0.048 0.000 1.902 2489 A HA -0.134 4.187 4.320 0.001 0.000 0.217 2489 A C 1.940 179.453 177.584 -0.119 0.000 1.181 2489 A CA 1.595 53.588 52.037 -0.072 0.000 0.623 2489 A CB -0.410 18.566 19.000 -0.039 0.000 0.818 2489 A HN 0.510 nan 8.150 nan 0.000 0.443 2490 E N 0.072 120.213 120.200 -0.098 0.000 2.110 2490 E HA -0.140 4.211 4.350 0.001 0.000 0.193 2490 E C 2.054 178.564 176.600 -0.150 0.000 0.988 2490 E CA 0.949 57.290 56.400 -0.098 0.000 0.804 2490 E CB -0.399 29.265 29.700 -0.061 0.000 0.745 2490 E HN 0.676 nan 8.360 nan 0.000 0.458 2491 L N 0.713 121.815 121.223 -0.203 0.000 2.027 2491 L HA -0.176 4.165 4.340 0.001 0.000 0.206 2491 L C 2.671 179.102 176.870 -0.732 0.000 1.074 2491 L CA 1.266 55.924 54.840 -0.303 0.000 0.745 2491 L CB -0.370 41.526 42.059 -0.272 0.000 0.898 2491 L HN 0.051 nan 8.230 nan 0.000 0.433 2492 K N 0.426 120.253 120.400 -0.955 0.000 2.063 2492 K HA -0.207 4.113 4.320 0.001 0.000 0.208 2492 K C 2.072 178.473 176.600 -0.331 0.000 1.048 2492 K CA 1.518 57.314 56.287 -0.818 0.000 0.928 2492 K CB -0.192 32.120 32.500 -0.313 0.000 0.713 2492 K HN 0.263 nan 8.250 nan 0.000 0.442 2493 A N 0.682 123.364 122.820 -0.229 0.000 1.908 2493 A HA -0.132 4.188 4.320 0.001 0.000 0.218 2493 A C 2.146 179.648 177.584 -0.137 0.000 1.181 2493 A CA 1.640 53.596 52.037 -0.135 0.000 0.627 2493 A CB -0.635 18.301 19.000 -0.107 0.000 0.818 2493 A HN 0.337 nan 8.150 nan 0.000 0.445 2494 L N -2.814 118.301 121.223 -0.179 0.000 2.072 2494 L HA -0.106 4.234 4.340 0.001 0.000 0.205 2494 L C 2.405 179.090 176.870 -0.308 0.000 1.079 2494 L CA 1.209 55.900 54.840 -0.249 0.000 0.752 2494 L CB -0.345 41.525 42.059 -0.315 0.000 0.906 2494 L HN 0.496 nan 8.230 nan 0.000 0.436 2495 Y N -1.692 118.537 120.300 -0.118 0.000 2.503 2495 Y HA 0.005 4.555 4.550 0.001 0.000 0.277 2495 Y C 2.033 177.985 175.900 0.086 0.000 1.102 2495 Y CA 0.528 58.644 58.100 0.028 0.000 1.261 2495 Y CB 0.464 39.033 38.460 0.183 0.000 1.096 2495 Y HN 0.089 nan 8.280 nan 0.000 0.546 2496 S N -1.188 114.611 115.700 0.165 0.000 1.539 2496 S HA -0.266 4.205 4.470 0.001 0.000 0.239 2496 S C -0.075 174.720 174.600 0.325 0.000 0.755 2496 S CA 1.608 59.911 58.200 0.172 0.000 1.322 2496 S CB -1.237 62.034 63.200 0.118 0.000 1.628 2496 S HN 0.510 nan 8.310 nan 0.000 0.515 2497 D N 0.273 120.902 120.400 0.381 0.000 2.375 2497 D HA 0.606 5.247 4.640 0.001 0.000 0.247 2497 D C 0.597 177.056 176.300 0.264 0.000 1.061 2497 D CA -0.480 53.695 54.000 0.292 0.000 0.834 2497 D CB 1.413 42.312 40.800 0.166 0.000 1.247 2497 D HN 0.134 nan 8.370 nan 0.000 0.489 2498 I N 2.650 123.151 120.570 -0.116 0.000 2.361 2498 I HA -0.154 4.016 4.170 0.001 0.000 0.251 2498 I C 1.031 176.995 176.117 -0.254 0.000 1.133 2498 I CA 1.376 62.273 61.300 -0.672 0.000 1.413 2498 I CB 0.071 37.651 38.000 -0.700 0.000 1.073 2498 I HN 0.326 nan 8.210 nan 0.000 0.424 2499 D N -0.200 120.147 120.400 -0.088 0.000 2.378 2499 D HA -0.016 4.624 4.640 0.001 0.000 0.227 2499 D C 1.775 178.087 176.300 0.020 0.000 1.012 2499 D CA 0.664 54.646 54.000 -0.030 0.000 0.905 2499 D CB 0.241 41.035 40.800 -0.010 0.000 0.895 2499 D HN 0.301 nan 8.370 nan 0.000 0.532 2500 V N 0.277 120.229 119.914 0.063 0.000 3.528 2500 V HA 0.119 4.240 4.120 0.001 0.000 0.294 2500 V C 0.576 176.729 176.094 0.100 0.000 1.404 2500 V CA -0.273 62.108 62.300 0.135 0.000 1.065 2500 V CB 0.140 32.098 31.823 0.225 0.000 0.904 2500 V HN 0.077 nan 8.190 nan 0.000 0.435 2501 M N 1.567 121.124 119.600 -0.071 0.000 2.249 2501 M HA 0.157 4.637 4.480 0.001 0.000 0.340 2501 M C 0.223 176.432 176.300 -0.152 0.000 1.166 2501 M CA 0.434 55.525 55.300 -0.349 0.000 1.115 2501 M CB -0.126 32.307 32.600 -0.278 0.000 1.606 2501 M HN 0.278 nan 8.290 nan 0.000 0.448 2502 E N 3.252 123.345 120.200 -0.177 0.000 2.313 2502 E HA 0.136 4.487 4.350 0.001 0.000 0.272 2502 E C 0.558 177.197 176.600 0.065 0.000 1.038 2502 E CA -0.528 55.905 56.400 0.054 0.000 0.863 2502 E CB 1.157 30.949 29.700 0.155 0.000 1.060 2502 E HN 0.781 nan 8.360 nan 0.000 0.402 2503 L N 3.613 124.919 121.223 0.138 0.000 1.970 2503 L HA -0.238 4.102 4.340 0.001 0.000 0.212 2503 L C 2.079 179.008 176.870 0.099 0.000 1.071 2503 L CA 1.897 56.804 54.840 0.112 0.000 0.751 2503 L CB -0.624 41.486 42.059 0.085 0.000 0.889 2503 L HN 0.710 nan 8.230 nan 0.000 0.432 2504 Y N 1.052 121.366 120.300 0.022 0.000 2.097 2504 Y HA -0.146 4.405 4.550 0.001 0.000 0.282 2504 Y C -0.580 175.341 175.900 0.036 0.000 1.152 2504 Y CA 2.006 60.117 58.100 0.020 0.000 1.136 2504 Y CB -1.937 36.515 38.460 -0.013 0.000 0.975 2504 Y HN 0.264 nan 8.280 nan 0.000 0.498 2505 P HA -0.154 nan 4.420 nan 0.000 0.216 2505 P C 1.543 178.736 177.300 -0.178 0.000 1.153 2505 P CA 2.516 65.475 63.100 -0.236 0.000 0.848 2505 P CB -0.413 31.291 31.700 0.007 0.000 0.787 2506 A N -0.338 122.426 122.820 -0.094 0.000 1.908 2506 A HA -0.188 4.132 4.320 0.001 0.000 0.218 2506 A C 2.244 179.785 177.584 -0.072 0.000 1.181 2506 A CA 1.570 53.571 52.037 -0.060 0.000 0.627 2506 A CB -1.760 17.233 19.000 -0.011 0.000 0.818 2506 A HN 0.130 nan 8.150 nan 0.000 0.445 2507 L N -0.765 120.400 121.223 -0.095 0.000 2.131 2507 L HA -0.128 4.213 4.340 0.001 0.000 0.210 2507 L C 2.124 178.925 176.870 -0.114 0.000 1.092 2507 L CA 0.839 55.626 54.840 -0.088 0.000 0.759 2507 L CB -0.339 41.682 42.059 -0.064 0.000 0.903 2507 L HN 0.366 nan 8.230 nan 0.000 0.435 2508 L N -1.566 119.544 121.223 -0.188 0.000 2.558 2508 L HA -0.009 4.331 4.340 0.001 0.000 0.225 2508 L C 1.765 178.575 176.870 -0.101 0.000 1.128 2508 L CA 0.115 54.866 54.840 -0.148 0.000 0.868 2508 L CB 0.325 42.248 42.059 -0.226 0.000 1.006 2508 L HN 0.078 nan 8.230 nan 0.000 0.454 2509 V N -1.141 118.717 119.914 -0.094 0.000 3.604 2509 V HA 0.070 4.191 4.120 0.001 0.000 0.277 2509 V C 1.081 177.132 176.094 -0.070 0.000 1.399 2509 V CA -0.069 62.189 62.300 -0.070 0.000 1.034 2509 V CB 0.730 32.520 31.823 -0.054 0.000 0.824 2509 V HN 0.292 nan 8.190 nan 0.000 0.439 2510 E N 2.010 122.168 120.200 -0.069 0.000 2.442 2510 E HA -0.073 4.278 4.350 0.001 0.000 0.262 2510 E C 0.338 176.900 176.600 -0.063 0.000 1.004 2510 E CA -0.071 56.287 56.400 -0.070 0.000 0.928 2510 E CB 0.407 30.096 29.700 -0.019 0.000 0.937 2510 E HN 0.296 nan 8.360 nan 0.000 0.446 2511 K N 5.675 126.028 120.400 -0.077 0.000 2.419 2511 K HA 0.079 4.400 4.320 0.001 0.000 0.282 2511 K C -2.288 174.289 176.600 -0.038 0.000 1.056 2511 K CA -1.230 55.022 56.287 -0.058 0.000 1.035 2511 K CB 0.361 32.826 32.500 -0.057 0.000 0.921 2511 K HN 0.210 nan 8.250 nan 0.000 0.472 2512 P HA 0.053 nan 4.420 nan 0.000 0.272 2512 P C -0.516 176.752 177.300 -0.053 0.000 1.254 2512 P CA -0.191 62.874 63.100 -0.058 0.000 0.795 2512 P CB 0.517 32.165 31.700 -0.088 0.000 1.022 2513 R N 0.360 120.813 120.500 -0.078 0.000 2.546 2513 R HA 0.316 4.657 4.340 0.001 0.000 0.266 2513 R C -2.084 174.200 176.300 -0.027 0.000 1.086 2513 R CA -1.856 54.202 56.100 -0.070 0.000 1.160 2513 R CB -0.768 29.410 30.300 -0.203 0.000 1.138 2513 R HN 0.339 nan 8.270 nan 0.000 0.567 2514 P HA -0.152 nan 4.420 nan 0.000 0.247 2514 P C -0.948 176.343 177.300 -0.014 0.000 1.141 2514 P CA 0.971 64.091 63.100 0.033 0.000 0.858 2514 P CB -0.067 31.688 31.700 0.093 0.000 0.804 2515 D N 0.013 120.384 120.400 -0.049 0.000 2.837 2515 D HA -0.207 4.433 4.640 0.001 0.000 0.230 2515 D C 0.316 176.536 176.300 -0.133 0.000 1.152 2515 D CA 1.411 55.360 54.000 -0.086 0.000 0.736 2515 D CB -1.026 39.730 40.800 -0.074 0.000 1.084 2515 D HN 0.456 nan 8.370 nan 0.000 0.429 2516 A N -0.095 122.639 122.820 -0.144 0.000 2.299 2516 A HA 0.693 5.014 4.320 0.001 0.000 0.332 2516 A C 1.250 178.654 177.584 -0.300 0.000 1.131 2516 A CA -0.461 51.443 52.037 -0.221 0.000 0.844 2516 A CB 1.198 20.096 19.000 -0.170 0.000 1.251 2516 A HN 0.153 nan 8.150 nan 0.000 0.486 2517 I N -1.079 119.195 120.570 -0.492 0.000 2.716 2517 I HA 0.162 4.332 4.170 0.001 0.000 0.259 2517 I C -0.622 175.167 176.117 -0.547 0.000 1.172 2517 I CA 0.614 61.526 61.300 -0.648 0.000 1.478 2517 I CB -0.072 37.296 38.000 -1.053 0.000 1.104 2517 I HN 0.472 nan 8.210 nan 0.000 0.439 2518 F N -0.186 119.582 119.950 -0.304 0.000 2.618 2518 F HA 0.666 5.194 4.527 0.001 0.000 0.332 2518 F C 0.771 176.450 175.800 -0.201 0.000 1.061 2518 F CA -1.229 56.608 58.000 -0.273 0.000 0.974 2518 F CB 0.496 39.315 39.000 -0.301 0.000 1.310 2518 F HN -0.250 nan 8.300 nan 0.000 0.491 2519 G N -0.600 108.244 108.800 0.074 0.000 2.601 2519 G HA2 0.311 4.272 3.960 0.001 0.000 0.317 2519 G HA3 0.311 4.272 3.960 0.001 0.000 0.317 2519 G C 0.512 175.409 174.900 -0.005 0.000 1.246 2519 G CA -0.394 44.710 45.100 0.007 0.000 1.012 2519 G HN 0.708 nan 8.290 nan 0.000 0.494 2520 E N -0.768 119.433 120.200 0.002 0.000 2.049 2520 E HA -0.208 4.142 4.350 0.001 0.000 0.198 2520 E C 2.296 178.887 176.600 -0.015 0.000 1.007 2520 E CA 2.068 58.465 56.400 -0.005 0.000 0.809 2520 E CB -0.245 29.467 29.700 0.021 0.000 0.749 2520 E HN 0.455 nan 8.360 nan 0.000 0.450 2521 T N 0.955 115.508 114.554 -0.002 0.000 2.720 2521 T HA -0.234 4.116 4.350 0.001 0.000 0.268 2521 T C 1.729 176.375 174.700 -0.090 0.000 1.037 2521 T CA 1.786 63.865 62.100 -0.035 0.000 1.144 2521 T CB -0.279 68.597 68.868 0.013 0.000 0.864 2521 T HN 0.218 nan 8.240 nan 0.000 0.444 2522 M N 1.040 120.572 119.600 -0.113 0.000 2.086 2522 M HA -0.042 4.438 4.480 0.001 0.000 0.261 2522 M C 2.108 178.302 176.300 -0.177 0.000 1.067 2522 M CA 1.444 56.615 55.300 -0.214 0.000 1.116 2522 M CB -0.523 31.795 32.600 -0.470 0.000 1.348 2522 M HN 0.062 nan 8.290 nan 0.000 0.407 2523 V N 0.319 120.170 119.914 -0.105 0.000 2.307 2523 V HA -0.199 3.921 4.120 0.001 0.000 0.245 2523 V C 2.366 178.450 176.094 -0.018 0.000 1.045 2523 V CA 1.781 64.073 62.300 -0.014 0.000 1.024 2523 V CB -0.957 30.895 31.823 0.048 0.000 0.651 2523 V HN 0.430 nan 8.190 nan 0.000 0.449 2524 E N -0.028 120.142 120.200 -0.050 0.000 2.204 2524 E HA -0.063 4.287 4.350 0.001 0.000 0.194 2524 E C 2.133 178.578 176.600 -0.259 0.000 0.989 2524 E CA 0.846 57.204 56.400 -0.070 0.000 0.824 2524 E CB -0.070 29.619 29.700 -0.019 0.000 0.756 2524 E HN 0.478 nan 8.360 nan 0.000 0.477 2525 L N -0.712 120.268 121.223 -0.405 0.000 2.168 2525 L HA 0.093 4.434 4.340 0.001 0.000 0.203 2525 L C 2.331 178.955 176.870 -0.411 0.000 1.078 2525 L CA 1.146 55.469 54.840 -0.862 0.000 0.780 2525 L CB -0.844 40.830 42.059 -0.642 0.000 0.939 2525 L HN 0.140 nan 8.230 nan 0.000 0.451 2526 G N -0.065 108.726 108.800 -0.016 0.000 2.403 2526 G HA2 -0.149 3.811 3.960 0.001 0.000 0.216 2526 G HA3 -0.149 3.811 3.960 0.001 0.000 0.216 2526 G C 1.797 176.796 174.900 0.165 0.000 1.154 2526 G CA 0.797 46.076 45.100 0.299 0.000 0.784 2526 G HN 0.403 nan 8.290 nan 0.000 0.538 2527 A N 1.888 124.745 122.820 0.062 0.000 1.873 2527 A HA -0.012 4.309 4.320 0.001 0.000 0.218 2527 A C 0.800 178.374 177.584 -0.017 0.000 1.193 2527 A CA 2.143 54.220 52.037 0.067 0.000 0.629 2527 A CB -1.288 17.751 19.000 0.064 0.000 0.826 2527 A HN 0.384 nan 8.150 nan 0.000 0.447 2528 P HA -0.117 nan 4.420 nan 0.000 0.216 2528 P C 1.203 178.377 177.300 -0.209 0.000 1.150 2528 P CA 1.066 64.058 63.100 -0.180 0.000 0.837 2528 P CB -0.225 31.335 31.700 -0.233 0.000 0.786 2529 F N -0.418 119.373 119.950 -0.265 0.000 2.146 2529 F HA -0.150 4.377 4.527 0.001 0.000 0.298 2529 F C 2.758 178.170 175.800 -0.647 0.000 1.096 2529 F CA 1.241 58.874 58.000 -0.612 0.000 1.275 2529 F CB -0.762 37.461 39.000 -1.295 0.000 1.008 2529 F HN -0.032 nan 8.300 nan 0.000 0.480 2530 S N 0.735 116.301 115.700 -0.224 0.000 2.355 2530 S HA -0.194 4.276 4.470 0.001 0.000 0.222 2530 S C 2.086 176.730 174.600 0.072 0.000 1.031 2530 S CA 1.244 59.476 58.200 0.053 0.000 0.993 2530 S CB -0.591 62.789 63.200 0.301 0.000 0.859 2530 S HN 0.313 nan 8.310 nan 0.000 0.453 2531 L N 1.820 123.083 121.223 0.067 0.000 2.042 2531 L HA -0.041 4.299 4.340 0.001 0.000 0.210 2531 L C 2.228 179.182 176.870 0.140 0.000 1.076 2531 L CA 1.997 56.893 54.840 0.094 0.000 0.749 2531 L CB -0.821 41.285 42.059 0.079 0.000 0.893 2531 L HN 0.163 nan 8.230 nan 0.000 0.432 2532 K N -0.133 120.328 120.400 0.102 0.000 2.097 2532 K HA -0.029 4.291 4.320 0.001 0.000 0.205 2532 K C 2.005 178.643 176.600 0.064 0.000 1.050 2532 K CA 1.260 57.611 56.287 0.107 0.000 0.938 2532 K CB -0.708 31.796 32.500 0.006 0.000 0.718 2532 K HN 0.596 nan 8.250 nan 0.000 0.442 2533 G N 0.846 109.636 108.800 -0.018 0.000 2.448 2533 G HA2 -0.142 3.818 3.960 0.001 0.000 0.218 2533 G HA3 -0.142 3.818 3.960 0.001 0.000 0.218 2533 G C 1.413 176.313 174.900 -0.000 0.000 1.135 2533 G CA 0.211 45.255 45.100 -0.093 0.000 0.784 2533 G HN 0.028 nan 8.290 nan 0.000 0.543 2534 L N 0.167 121.434 121.223 0.073 0.000 2.121 2534 L HA 0.284 4.625 4.340 0.001 0.000 0.200 2534 L C 2.764 179.716 176.870 0.137 0.000 1.077 2534 L CA 0.997 55.890 54.840 0.088 0.000 0.766 2534 L CB -0.880 41.223 42.059 0.073 0.000 0.931 2534 L HN 0.112 nan 8.230 nan 0.000 0.452 2535 M N -0.707 119.000 119.600 0.178 0.000 2.419 2535 M HA 0.079 4.560 4.480 0.001 0.000 0.264 2535 M C 1.923 178.503 176.300 0.466 0.000 1.082 2535 M CA 0.944 56.376 55.300 0.220 0.000 1.119 2535 M CB -1.680 30.892 32.600 -0.047 0.000 1.398 2535 M HN 0.293 nan 8.290 nan 0.000 0.453 2536 G N 0.680 109.755 108.800 0.459 0.000 2.848 2536 G HA2 -0.115 3.846 3.960 0.001 0.000 0.208 2536 G HA3 -0.115 3.846 3.960 0.001 0.000 0.208 2536 G C 0.720 175.820 174.900 0.334 0.000 1.152 2536 G CA -0.182 45.169 45.100 0.419 0.000 0.789 2536 G HN 0.421 nan 8.290 nan 0.000 0.531 2537 N N 1.013 119.878 118.700 0.274 0.000 2.513 2537 N HA 0.074 4.814 4.740 0.001 0.000 0.268 2537 N C -1.076 174.517 175.510 0.138 0.000 1.180 2537 N CA -1.407 51.743 53.050 0.167 0.000 0.948 2537 N CB 2.103 40.680 38.487 0.150 0.000 1.083 2537 N HN -0.110 nan 8.380 nan 0.000 0.455 2538 P HA -0.185 nan 4.420 nan 0.000 0.216 2538 P C 1.476 178.552 177.300 -0.374 0.000 1.150 2538 P CA 1.386 64.306 63.100 -0.300 0.000 0.843 2538 P CB -0.206 31.173 31.700 -0.535 0.000 0.787 2539 I N -3.548 116.966 120.570 -0.094 0.000 3.010 2539 I HA -0.096 4.074 4.170 0.001 0.000 0.271 2539 I C 1.506 177.920 176.117 0.494 0.000 1.293 2539 I CA 1.242 62.729 61.300 0.311 0.000 1.452 2539 I CB -0.971 37.374 38.000 0.576 0.000 1.082 2539 I HN -0.158 nan 8.210 nan 0.000 0.484 2540 C N 1.146 120.588 119.300 0.236 0.000 2.673 2540 C HA 0.205 4.666 4.460 0.001 0.000 0.264 2540 C C 1.749 176.752 174.990 0.021 0.000 1.304 2540 C CA 0.305 59.406 59.018 0.139 0.000 1.727 2540 C CB -1.380 26.497 27.740 0.229 0.000 1.932 2540 C HN 0.719 nan 8.230 nan 0.000 0.563 2541 S N 1.817 117.352 115.700 -0.276 0.000 2.592 2541 S HA 0.220 4.691 4.470 0.001 0.000 0.271 2541 S C -1.641 172.919 174.600 -0.067 0.000 1.326 2541 S CA -0.629 57.182 58.200 -0.649 0.000 1.024 2541 S CB 0.703 63.501 63.200 -0.670 0.000 0.921 2541 S HN 0.067 nan 8.310 nan 0.000 0.527 2542 P HA -0.150 nan 4.420 nan 0.000 0.216 2542 P C 1.600 178.868 177.300 -0.053 0.000 1.157 2542 P CA 1.173 64.030 63.100 -0.405 0.000 0.880 2542 P CB 0.009 31.295 31.700 -0.690 0.000 0.791 2543 Q N -2.002 117.789 119.800 -0.014 0.000 2.291 2543 Q HA -0.144 4.196 4.340 0.001 0.000 0.206 2543 Q C 1.983 177.983 176.000 0.001 0.000 0.976 2543 Q CA 1.600 57.403 55.803 -0.001 0.000 0.875 2543 Q CB -0.734 28.009 28.738 0.008 0.000 0.927 2543 Q HN 0.493 nan 8.270 nan 0.000 0.450 2544 Y N -2.431 117.879 120.300 0.016 0.000 2.441 2544 Y HA 0.015 4.565 4.550 0.001 0.000 0.288 2544 Y C 1.077 177.075 175.900 0.164 0.000 1.118 2544 Y CA -0.407 57.717 58.100 0.040 0.000 1.215 2544 Y CB 0.199 38.722 38.460 0.104 0.000 1.118 2544 Y HN 0.154 nan 8.280 nan 0.000 0.547 2545 W N 5.343 126.826 121.300 0.305 0.000 1.534 2545 W HA 0.117 4.778 4.660 0.001 0.000 0.520 2545 W C -0.650 176.017 176.519 0.245 0.000 0.682 2545 W CA 0.489 58.086 57.345 0.419 0.000 2.176 2545 W CB -0.645 29.129 29.460 0.523 0.000 1.620 2545 W HN 0.106 nan 8.180 nan 0.000 0.206 2546 K N 2.212 122.466 120.400 -0.244 0.000 2.551 2546 K HA 0.366 4.686 4.320 0.001 0.000 0.269 2546 K C -2.552 173.573 176.600 -0.791 0.000 0.949 2546 K CA -1.639 54.341 56.287 -0.512 0.000 0.849 2546 K CB 1.487 33.843 32.500 -0.241 0.000 1.411 2546 K HN -0.284 nan 8.250 nan 0.000 0.432 2547 P HA -0.320 nan 4.420 nan 0.000 0.215 2547 P C 1.300 178.450 177.300 -0.251 0.000 1.163 2547 P CA 2.271 64.988 63.100 -0.639 0.000 0.894 2547 P CB -0.023 31.479 31.700 -0.330 0.000 0.791 2548 S N -1.883 113.687 115.700 -0.217 0.000 2.420 2548 S HA -0.175 4.295 4.470 0.001 0.000 0.237 2548 S C 1.806 176.286 174.600 -0.199 0.000 1.023 2548 S CA 1.992 60.115 58.200 -0.128 0.000 0.991 2548 S CB -2.030 61.100 63.200 -0.117 0.000 0.792 2548 S HN 0.161 nan 8.310 nan 0.000 0.488 2549 T N 1.252 115.549 114.554 -0.428 0.000 2.915 2549 T HA 0.106 4.457 4.350 0.001 0.000 0.269 2549 T C 0.407 174.678 174.700 -0.714 0.000 1.071 2549 T CA 0.933 62.627 62.100 -0.677 0.000 1.132 2549 T CB -0.426 67.820 68.868 -1.036 0.000 0.878 2549 T HN 0.624 nan 8.240 nan 0.000 0.479 2550 F N 0.229 120.192 119.950 0.023 0.000 2.772 2550 F HA 0.504 5.031 4.527 0.001 0.000 0.302 2550 F C 1.543 177.466 175.800 0.204 0.000 1.136 2550 F CA -0.677 57.402 58.000 0.131 0.000 1.322 2550 F CB 0.031 39.133 39.000 0.170 0.000 0.967 2550 F HN 0.147 nan 8.300 nan 0.000 0.513 2551 G N 0.149 109.157 108.800 0.347 0.000 2.148 2551 G HA2 0.105 4.066 3.960 0.001 0.000 0.254 2551 G HA3 0.105 4.066 3.960 0.001 0.000 0.254 2551 G C 0.584 175.696 174.900 0.353 0.000 0.981 2551 G CA 0.061 45.449 45.100 0.480 0.000 0.670 2551 G HN 1.280 nan 8.290 nan 0.000 0.528 2552 G N -1.620 107.311 108.800 0.217 0.000 2.434 2552 G HA2 0.277 4.237 3.960 0.001 0.000 0.671 2552 G HA3 0.277 4.237 3.960 0.001 0.000 0.671 2552 G C 0.314 175.297 174.900 0.138 0.000 1.280 2552 G CA 0.561 45.739 45.100 0.131 0.000 0.975 2552 G HN 0.471 nan 8.290 nan 0.000 0.510 2553 E N -0.649 119.611 120.200 0.100 0.000 2.118 2553 E HA -0.108 4.242 4.350 0.001 0.000 0.195 2553 E C 2.867 179.553 176.600 0.144 0.000 0.992 2553 E CA 1.572 58.057 56.400 0.142 0.000 0.804 2553 E CB -0.439 29.313 29.700 0.085 0.000 0.741 2553 E HN 0.475 nan 8.360 nan 0.000 0.458 2554 V N 0.616 120.580 119.914 0.084 0.000 2.233 2554 V HA -0.233 3.888 4.120 0.001 0.000 0.247 2554 V C 2.405 178.560 176.094 0.103 0.000 1.050 2554 V CA 2.175 64.510 62.300 0.058 0.000 1.010 2554 V CB -1.143 30.681 31.823 0.001 0.000 0.637 2554 V HN 0.367 nan 8.190 nan 0.000 0.444 2555 G N -1.339 107.555 108.800 0.156 0.000 2.422 2555 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 2555 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 2555 G C 1.535 176.569 174.900 0.222 0.000 1.146 2555 G CA 0.788 46.014 45.100 0.209 0.000 0.769 2555 G HN 0.426 nan 8.290 nan 0.000 0.547 2556 F N 1.286 121.255 119.950 0.031 0.000 2.234 2556 F HA 0.118 4.645 4.527 0.001 0.000 0.299 2556 F C 2.439 178.169 175.800 -0.117 0.000 1.087 2556 F CA 1.178 59.102 58.000 -0.127 0.000 1.340 2556 F CB -0.121 38.836 39.000 -0.072 0.000 1.031 2556 F HN 0.102 nan 8.300 nan 0.000 0.500 2557 K N 0.258 120.675 120.400 0.029 0.000 2.148 2557 K HA -0.123 4.198 4.320 0.001 0.000 0.204 2557 K C 2.192 178.765 176.600 -0.045 0.000 1.050 2557 K CA 1.278 57.533 56.287 -0.054 0.000 0.942 2557 K CB -0.224 32.276 32.500 0.001 0.000 0.724 2557 K HN 0.283 nan 8.250 nan 0.000 0.446 2558 I N 1.087 121.657 120.570 0.001 0.000 2.208 2558 I HA -0.333 3.837 4.170 0.001 0.000 0.245 2558 I C 2.164 178.291 176.117 0.018 0.000 1.097 2558 I CA 1.310 62.623 61.300 0.021 0.000 1.363 2558 I CB -0.198 37.837 38.000 0.057 0.000 1.051 2558 I HN 0.176 nan 8.210 nan 0.000 0.413 2559 I N 0.636 121.192 120.570 -0.024 0.000 2.202 2559 I HA -0.275 3.896 4.170 0.001 0.000 0.242 2559 I C 1.857 178.003 176.117 0.048 0.000 1.091 2559 I CA 1.334 62.644 61.300 0.017 0.000 1.368 2559 I CB -0.523 37.431 38.000 -0.076 0.000 1.058 2559 I HN 0.311 nan 8.210 nan 0.000 0.410 2560 N N 0.382 119.027 118.700 -0.092 0.000 2.515 2560 N HA -0.069 4.671 4.740 0.001 0.000 0.185 2560 N C 1.365 176.868 175.510 -0.012 0.000 1.109 2560 N CA 1.520 54.531 53.050 -0.066 0.000 0.903 2560 N CB -0.031 38.304 38.487 -0.252 0.000 0.969 2560 N HN 0.491 nan 8.380 nan 0.000 0.450 2561 T N -3.439 111.112 114.554 -0.005 0.000 3.084 2561 T HA 0.450 4.801 4.350 0.001 0.000 0.270 2561 T C 0.596 175.306 174.700 0.016 0.000 1.008 2561 T CA -0.528 61.574 62.100 0.003 0.000 0.900 2561 T CB 0.343 69.206 68.868 -0.008 0.000 1.084 2561 T HN 0.082 nan 8.240 nan 0.000 0.538 2562 A N 2.027 124.871 122.820 0.041 0.000 2.498 2562 A HA 0.625 4.946 4.320 0.001 0.000 0.239 2562 A C 0.636 178.237 177.584 0.028 0.000 1.068 2562 A CA -0.035 52.030 52.037 0.046 0.000 0.766 2562 A CB -0.040 19.019 19.000 0.098 0.000 1.003 2562 A HN 1.054 nan 8.150 nan 0.000 0.497 2563 S N 1.230 116.924 115.700 -0.011 0.000 2.596 2563 S HA 0.443 4.913 4.470 0.001 0.000 0.270 2563 S C 0.345 174.880 174.600 -0.108 0.000 1.155 2563 S CA -0.141 58.028 58.200 -0.051 0.000 0.827 2563 S CB 0.580 63.740 63.200 -0.067 0.000 1.130 2563 S HN 1.086 nan 8.310 nan 0.000 0.467 2564 I N 1.205 121.659 120.570 -0.193 0.000 2.454 2564 I HA -0.039 4.131 4.170 0.001 0.000 0.254 2564 I C 2.374 178.329 176.117 -0.271 0.000 1.156 2564 I CA 1.876 63.011 61.300 -0.275 0.000 1.433 2564 I CB -0.449 37.172 38.000 -0.632 0.000 1.082 2564 I HN 0.901 nan 8.210 nan 0.000 0.432 2565 Q N 0.048 119.687 119.800 -0.268 0.000 2.083 2565 Q HA -0.112 4.228 4.340 0.001 0.000 0.198 2565 Q C 2.206 178.103 176.000 -0.172 0.000 0.969 2565 Q CA 2.214 57.865 55.803 -0.253 0.000 0.838 2565 Q CB -0.337 28.261 28.738 -0.234 0.000 0.900 2565 Q HN 0.510 nan 8.270 nan 0.000 0.436 2566 S N 0.422 116.042 115.700 -0.133 0.000 2.368 2566 S HA -0.121 4.350 4.470 0.001 0.000 0.224 2566 S C 1.710 176.233 174.600 -0.129 0.000 1.029 2566 S CA 1.087 59.225 58.200 -0.103 0.000 0.988 2566 S CB -0.523 62.635 63.200 -0.071 0.000 0.838 2566 S HN 0.452 nan 8.310 nan 0.000 0.462 2567 L N 1.290 122.416 121.223 -0.163 0.000 2.013 2567 L HA -0.102 4.239 4.340 0.001 0.000 0.212 2567 L C 1.894 178.626 176.870 -0.230 0.000 1.073 2567 L CA 1.676 56.373 54.840 -0.238 0.000 0.753 2567 L CB -0.474 41.383 42.059 -0.337 0.000 0.890 2567 L HN 0.166 nan 8.230 nan 0.000 0.432 2568 I N -1.339 119.113 120.570 -0.198 0.000 2.233 2568 I HA -0.238 3.932 4.170 0.001 0.000 0.243 2568 I C 2.707 178.735 176.117 -0.149 0.000 1.093 2568 I CA 1.367 62.560 61.300 -0.179 0.000 1.380 2568 I CB -0.847 37.051 38.000 -0.170 0.000 1.067 2568 I HN 0.502 nan 8.210 nan 0.000 0.413 2569 c N 1.185 119.707 118.600 -0.131 0.000 2.398 2569 c HA -0.211 4.360 4.570 0.001 0.000 0.276 2569 c C 2.750 176.785 174.090 -0.092 0.000 1.222 2569 c CA 1.456 57.727 56.329 -0.097 0.000 1.746 2569 c CB -1.297 41.166 42.510 -0.079 0.000 2.039 2569 c HN 0.527 nan 8.230 nan 0.000 0.470 2570 N N 1.042 119.682 118.700 -0.101 0.000 2.396 2570 N HA -0.028 4.712 4.740 0.001 0.000 0.180 2570 N C 0.962 176.407 175.510 -0.108 0.000 1.028 2570 N CA 1.052 54.047 53.050 -0.092 0.000 0.893 2570 N CB -0.460 37.975 38.487 -0.086 0.000 0.967 2570 N HN 0.690 nan 8.380 nan 0.000 0.440 2571 N N -0.272 118.346 118.700 -0.136 0.000 2.171 2571 N HA 0.100 4.840 4.740 0.001 0.000 0.212 2571 N C -0.705 174.706 175.510 -0.166 0.000 1.184 2571 N CA 0.099 53.055 53.050 -0.156 0.000 0.888 2571 N CB 1.973 40.350 38.487 -0.184 0.000 1.038 2571 N HN -0.101 nan 8.380 nan 0.000 0.517 2572 V N 1.625 121.453 119.914 -0.144 0.000 2.444 2572 V HA 0.199 4.320 4.120 0.001 0.000 0.294 2572 V C 0.355 176.387 176.094 -0.102 0.000 1.022 2572 V CA -1.178 61.039 62.300 -0.137 0.000 0.850 2572 V CB 2.424 34.167 31.823 -0.134 0.000 0.992 2572 V HN 0.003 nan 8.190 nan 0.000 0.426 2573 K N 3.165 123.507 120.400 -0.098 0.000 2.504 2573 K HA 0.269 4.590 4.320 0.001 0.000 0.278 2573 K C 1.248 177.820 176.600 -0.048 0.000 1.025 2573 K CA 1.466 57.712 56.287 -0.069 0.000 1.093 2573 K CB -0.040 32.422 32.500 -0.063 0.000 0.873 2573 K HN 1.169 nan 8.250 nan 0.000 0.483 2574 G N 2.854 111.632 108.800 -0.037 0.000 2.217 2574 G HA2 -0.337 3.623 3.960 0.001 0.000 0.246 2574 G HA3 -0.337 3.623 3.960 0.001 0.000 0.246 2574 G C 0.386 175.275 174.900 -0.019 0.000 0.990 2574 G CA -0.152 44.935 45.100 -0.021 0.000 0.627 2574 G HN 1.348 nan 8.290 nan 0.000 0.522 2575 c N 1.015 119.593 118.600 -0.036 0.000 3.514 2575 c HA -0.051 4.519 4.570 0.001 0.000 0.286 2575 c C -0.714 173.368 174.090 -0.012 0.000 1.302 2575 c CA -0.118 56.190 56.329 -0.036 0.000 2.239 2575 c CB -1.875 40.619 42.510 -0.026 0.000 1.429 2575 c HN 0.690 nan 8.230 nan 0.000 0.565 2576 P HA 0.306 nan 4.420 nan 0.000 0.272 2576 P C -0.086 177.228 177.300 0.024 0.000 1.223 2576 P CA -0.097 63.016 63.100 0.021 0.000 0.784 2576 P CB 0.325 32.027 31.700 0.004 0.000 0.923 2577 F N 1.694 121.627 119.950 -0.028 0.000 2.459 2577 F HA 0.444 4.971 4.527 0.001 0.000 0.346 2577 F C 0.351 176.132 175.800 -0.032 0.000 1.128 2577 F CA 1.042 59.022 58.000 -0.032 0.000 1.268 2577 F CB 0.670 39.655 39.000 -0.024 0.000 1.161 2577 F HN 0.266 nan 8.300 nan 0.000 0.583 2578 T N 2.938 116.684 114.554 -1.347 0.000 2.802 2578 T HA 0.588 4.938 4.350 0.001 0.000 0.311 2578 T C -1.348 172.748 174.700 -1.007 0.000 1.405 2578 T CA 0.004 61.575 62.100 -0.881 0.000 1.016 2578 T CB 0.996 69.626 68.868 -0.396 0.000 1.352 2578 T HN 1.154 nan 8.240 nan 0.000 0.498 2579 S N 0.999 116.374 115.700 -0.542 0.000 2.643 2579 S HA 0.505 4.976 4.470 0.001 0.000 0.266 2579 S C -0.534 173.907 174.600 -0.264 0.000 1.130 2579 S CA -0.757 57.176 58.200 -0.445 0.000 0.817 2579 S CB 0.119 63.182 63.200 -0.228 0.000 1.107 2579 S HN 0.588 nan 8.310 nan 0.000 0.471 2580 F N 1.663 121.510 119.950 -0.171 0.000 2.789 2580 F HA 0.241 4.768 4.527 0.001 0.000 0.300 2580 F C 0.944 176.444 175.800 -0.500 0.000 1.132 2580 F CA -0.240 57.607 58.000 -0.256 0.000 1.404 2580 F CB 0.096 38.910 39.000 -0.311 0.000 1.114 2580 F HN 0.709 nan 8.300 nan 0.000 0.584 2581 N N -1.428 117.172 118.700 -0.168 0.000 2.362 2581 N HA 0.349 5.089 4.740 0.001 0.000 0.299 2581 N C -1.112 174.430 175.510 0.053 0.000 1.170 2581 N CA -0.767 52.240 53.050 -0.071 0.000 0.825 2581 N CB 1.532 40.051 38.487 0.054 0.000 1.299 2581 N HN -0.271 nan 8.380 nan 0.000 0.502 2582 V N 3.075 123.030 119.914 0.070 0.000 2.326 2582 V HA 0.033 4.153 4.120 0.001 0.000 0.249 2582 V C 0.258 176.403 176.094 0.085 0.000 1.114 2582 V CA -0.229 62.124 62.300 0.089 0.000 1.028 2582 V CB -1.377 30.492 31.823 0.077 0.000 1.170 2582 V HN 0.862 nan 8.190 nan 0.000 0.494 2583 Q N 0.000 119.870 119.800 0.117 0.000 2.315 2583 Q HA 0.000 4.341 4.340 0.001 0.000 0.214 2583 Q CA 0.000 55.854 55.803 0.084 0.000 1.022 2583 Q CB 0.000 28.762 28.738 0.041 0.000 1.108 2583 Q HN 0.000 nan 8.270 nan 0.000 0.481