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 5acn_1_A DATA FIRST_RESID 2 DATA SEQUENCE RAKVAMSHFE PHEYIRYDLL EKNIDIVRKR LNRPLTLSEK IVYGHLDDPA DATA SEQUENCE NQEIERGKTY LRLRPDRVAM QDATAQMAML QFISSGLPKV AVPSTIHCDH DATA SEQUENCE LIEAQLGGEK DLRRAKDINQ EVYNFLATAG AKYGVGFWRP GSGIIHQIIL DATA SEQUENCE ENYAYPGVLL IGTDSHTPNG GGLGGICIGV GGADAVDVMA GIPWELKCPK DATA SEQUENCE VIGVKLTGSL SGWTSPKDVI LKVAGILTVK GGTGAIVEYH GPGVDSISCT DATA SEQUENCE GMATICNMGA EIGATTSVFP YNHRMKKYLS KTGRADIANL ADEFKDHLVP DATA SEQUENCE DPGCHYDQVI EINLSELKPH INGPFTPDLA HPVAEVGSVA EKEGWPLDIR DATA SEQUENCE VGLIGSCTNS SYEDMGRSAA VAKQALAHGL KCKSQFTITP GSEQIRATIE DATA SEQUENCE RDGYAQVLRD VGGIVLANAC GPCIGQWDRK DIKKGEKNTI VTSYNRNFTG DATA SEQUENCE RNDANPETHA FVTSPEIVTA LAIAGTLKFN PETDFLTGKD GKKFKLEAPD DATA SEQUENCE ADELPRAEFD PGQDTYQHPP KDSSGQRVDV SPTSQRLQLL EPFDKWDGKD DATA SEQUENCE LEDLQILIKV KGKCTTDHIS AAGPWLKFRG HLDNISNNLL IGAINIENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG SSREHSALEP DATA SEQUENCE RHLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL KCIIKHPNGT QETILLNHTF NETQIEWFRA GSALNRMKEL DATA SEQUENCE QQK 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.273 176.300 -0.044 0.000 0.893 2 R CA 0.000 56.098 56.100 -0.004 0.000 0.921 2 R CB 0.000 30.323 30.300 0.038 0.000 0.687 3 A N 1.652 124.461 122.820 -0.018 0.000 2.547 3 A HA 0.374 4.694 4.320 -0.001 0.000 0.233 3 A C -0.061 177.394 177.584 -0.216 0.000 1.067 3 A CA 0.770 52.765 52.037 -0.070 0.000 0.763 3 A CB 0.108 19.111 19.000 0.006 0.000 1.007 3 A HN 0.245 nan 8.150 nan 0.000 0.506 4 K N 1.243 121.451 120.400 -0.319 0.000 3.029 4 K HA 0.458 4.778 4.320 -0.001 0.000 0.169 4 K C -1.491 174.819 176.600 -0.484 0.000 1.090 4 K CA -0.040 55.817 56.287 -0.717 0.000 0.883 4 K CB 0.771 32.879 32.500 -0.654 0.000 1.080 4 K HN 0.415 nan 8.250 nan 0.000 0.613 5 V N 1.837 121.605 119.914 -0.243 0.000 2.427 5 V HA 0.664 4.783 4.120 -0.001 0.000 0.286 5 V C 0.357 176.478 176.094 0.045 0.000 1.034 5 V CA -0.994 61.249 62.300 -0.095 0.000 0.893 5 V CB 1.405 33.148 31.823 -0.133 0.000 0.982 5 V HN 0.621 nan 8.190 nan 0.000 0.452 6 A N 4.648 127.498 122.820 0.050 0.000 2.287 6 A HA 0.547 4.867 4.320 -0.001 0.000 0.273 6 A C 1.142 178.628 177.584 -0.164 0.000 1.091 6 A CA -0.387 51.652 52.037 0.003 0.000 0.817 6 A CB 0.426 19.393 19.000 -0.054 0.000 1.069 6 A HN 0.891 nan 8.150 nan 0.000 0.492 7 M N 0.463 119.963 119.600 -0.166 0.000 2.213 7 M HA -0.067 4.412 4.480 -0.001 0.000 0.263 7 M C 0.707 176.977 176.300 -0.050 0.000 1.062 7 M CA 1.838 57.042 55.300 -0.160 0.000 1.105 7 M CB -0.354 32.246 32.600 -0.000 0.000 1.385 7 M HN 0.948 nan 8.290 nan 0.000 0.417 8 S N -2.977 112.705 115.700 -0.030 0.000 2.636 8 S HA 0.242 4.711 4.470 -0.001 0.000 0.266 8 S C 0.155 174.685 174.600 -0.117 0.000 1.147 8 S CA -1.034 57.154 58.200 -0.019 0.000 0.815 8 S CB 0.449 63.734 63.200 0.140 0.000 1.119 8 S HN 0.235 nan 8.310 nan 0.000 0.470 9 H N -0.088 118.870 119.070 -0.188 0.000 2.521 9 H HA 0.090 4.646 4.556 -0.001 0.000 0.286 9 H C 0.621 175.702 175.328 -0.412 0.000 1.034 9 H CA 1.539 57.384 56.048 -0.339 0.000 1.278 9 H CB -0.138 29.309 29.762 -0.524 0.000 1.386 9 H HN 0.599 nan 8.280 nan 0.000 0.567 10 F N 0.393 120.368 119.950 0.041 0.000 2.754 10 F HA 0.117 4.643 4.527 -0.001 0.000 0.297 10 F C 0.407 176.308 175.800 0.168 0.000 1.122 10 F CA 0.288 58.311 58.000 0.038 0.000 1.400 10 F CB 0.553 39.485 39.000 -0.114 0.000 1.117 10 F HN -0.068 nan 8.300 nan 0.000 0.587 11 E N 0.412 120.766 120.200 0.258 0.000 3.666 11 E HA 0.144 4.494 4.350 -0.001 0.000 0.230 11 E C -1.898 174.713 176.600 0.018 0.000 1.235 11 E CA -1.337 55.166 56.400 0.172 0.000 1.096 11 E CB 0.645 30.351 29.700 0.010 0.000 1.287 11 E HN -0.048 nan 8.360 nan 0.000 0.406 12 P HA -0.173 nan 4.420 nan 0.000 0.226 12 P C 0.606 177.857 177.300 -0.081 0.000 1.153 12 P CA 1.105 64.213 63.100 0.015 0.000 0.777 12 P CB 0.034 31.764 31.700 0.051 0.000 0.794 13 H N -2.002 116.924 119.070 -0.240 0.000 2.548 13 H HA 0.367 4.922 4.556 -0.001 0.000 0.265 13 H C 0.297 175.193 175.328 -0.721 0.000 0.969 13 H CA -0.313 55.478 56.048 -0.429 0.000 1.155 13 H CB -0.055 29.587 29.762 -0.200 0.000 1.394 13 H HN 0.026 nan 8.280 nan 0.000 0.570 14 E N 1.093 120.744 120.200 -0.916 0.000 2.145 14 E HA 0.224 4.574 4.350 -0.001 0.000 0.262 14 E C -1.546 174.765 176.600 -0.482 0.000 0.883 14 E CA -0.871 55.115 56.400 -0.691 0.000 0.748 14 E CB 0.377 29.681 29.700 -0.660 0.000 1.140 14 E HN 0.272 nan 8.360 nan 0.000 0.417 15 Y N 2.909 123.122 120.300 -0.145 0.000 2.376 15 Y HA 0.393 4.943 4.550 -0.001 0.000 0.325 15 Y C 0.631 176.411 175.900 -0.201 0.000 1.199 15 Y CA -1.135 56.866 58.100 -0.165 0.000 1.206 15 Y CB 0.755 39.138 38.460 -0.128 0.000 1.229 15 Y HN 0.424 nan 8.280 nan 0.000 0.480 16 I N 4.108 124.600 120.570 -0.130 0.000 2.533 16 I HA 0.088 4.257 4.170 -0.001 0.000 0.284 16 I C 0.340 176.263 176.117 -0.324 0.000 1.109 16 I CA -0.081 61.006 61.300 -0.355 0.000 1.412 16 I CB 0.338 37.916 38.000 -0.704 0.000 1.396 16 I HN 0.378 nan 8.210 nan 0.000 0.543 17 R N 6.659 127.014 120.500 -0.241 0.000 4.017 17 R HA 0.132 4.472 4.340 -0.001 0.000 0.272 17 R C 0.140 176.320 176.300 -0.200 0.000 1.516 17 R CA -0.394 55.596 56.100 -0.184 0.000 1.519 17 R CB -0.381 29.871 30.300 -0.080 0.000 1.422 17 R HN 0.567 nan 8.270 nan 0.000 0.719 18 Y N 0.928 121.004 120.300 -0.373 0.000 2.497 18 Y HA -0.182 4.368 4.550 -0.001 0.000 0.292 18 Y C 1.924 177.516 175.900 -0.513 0.000 1.137 18 Y CA 0.749 58.489 58.100 -0.600 0.000 1.285 18 Y CB -0.142 37.549 38.460 -1.282 0.000 0.991 18 Y HN 0.368 nan 8.280 nan 0.000 0.556 19 D N -0.414 119.888 120.400 -0.164 0.000 2.144 19 D HA -0.171 4.469 4.640 -0.001 0.000 0.200 19 D C 2.070 178.358 176.300 -0.019 0.000 0.978 19 D CA 0.864 54.871 54.000 0.011 0.000 0.833 19 D CB -0.666 40.164 40.800 0.050 0.000 0.961 19 D HN 0.329 nan 8.370 nan 0.000 0.470 20 L N -0.258 120.934 121.223 -0.051 0.000 2.072 20 L HA -0.062 4.277 4.340 -0.001 0.000 0.205 20 L C 2.608 179.433 176.870 -0.076 0.000 1.079 20 L CA 0.492 55.303 54.840 -0.050 0.000 0.752 20 L CB -0.378 41.648 42.059 -0.056 0.000 0.906 20 L HN 0.002 nan 8.230 nan 0.000 0.436 21 L N 0.113 121.270 121.223 -0.110 0.000 1.997 21 L HA -0.317 4.022 4.340 -0.001 0.000 0.216 21 L C 2.509 179.310 176.870 -0.115 0.000 1.074 21 L CA 2.373 57.142 54.840 -0.118 0.000 0.763 21 L CB -0.588 41.431 42.059 -0.067 0.000 0.890 21 L HN 0.435 nan 8.230 nan 0.000 0.434 22 E N -0.429 119.656 120.200 -0.193 0.000 2.051 22 E HA -0.337 4.013 4.350 -0.001 0.000 0.192 22 E C 2.261 178.807 176.600 -0.089 0.000 0.991 22 E CA 1.630 57.846 56.400 -0.306 0.000 0.799 22 E CB -0.248 29.257 29.700 -0.325 0.000 0.748 22 E HN 0.570 nan 8.360 nan 0.000 0.449 23 K N 0.331 120.712 120.400 -0.032 0.000 2.103 23 K HA -0.159 4.160 4.320 -0.001 0.000 0.207 23 K C 1.664 178.273 176.600 0.015 0.000 1.048 23 K CA 1.891 58.181 56.287 0.006 0.000 0.930 23 K CB -0.029 32.477 32.500 0.010 0.000 0.716 23 K HN 0.094 nan 8.250 nan 0.000 0.444 24 N N 0.559 119.265 118.700 0.009 0.000 2.354 24 N HA -0.015 4.724 4.740 -0.001 0.000 0.179 24 N C 1.705 177.255 175.510 0.065 0.000 1.021 24 N CA 1.018 54.089 53.050 0.035 0.000 0.887 24 N CB -0.016 38.493 38.487 0.035 0.000 0.974 24 N HN 0.284 nan 8.380 nan 0.000 0.437 25 I N 0.654 121.264 120.570 0.067 0.000 2.394 25 I HA -0.212 3.958 4.170 -0.001 0.000 0.251 25 I C 1.919 178.103 176.117 0.111 0.000 1.136 25 I CA 1.103 62.473 61.300 0.117 0.000 1.425 25 I CB -0.064 38.025 38.000 0.149 0.000 1.079 25 I HN -0.011 nan 8.210 nan 0.000 0.425 26 D N 1.194 121.648 120.400 0.089 0.000 2.162 26 D HA -0.104 4.535 4.640 -0.001 0.000 0.203 26 D C 2.156 178.490 176.300 0.057 0.000 0.967 26 D CA 1.173 55.221 54.000 0.081 0.000 0.840 26 D CB 0.038 40.884 40.800 0.077 0.000 0.972 26 D HN 0.243 nan 8.370 nan 0.000 0.482 27 I N -0.311 120.287 120.570 0.046 0.000 2.179 27 I HA -0.236 3.933 4.170 -0.001 0.000 0.242 27 I C 2.384 178.517 176.117 0.027 0.000 1.088 27 I CA 0.552 61.871 61.300 0.032 0.000 1.357 27 I CB -0.133 37.884 38.000 0.027 0.000 1.051 27 I HN -0.024 nan 8.210 nan 0.000 0.409 28 V N 0.593 120.530 119.914 0.039 0.000 2.237 28 V HA -0.303 3.816 4.120 -0.001 0.000 0.245 28 V C 2.615 178.727 176.094 0.030 0.000 1.046 28 V CA 1.989 64.303 62.300 0.023 0.000 1.007 28 V CB -0.738 31.129 31.823 0.072 0.000 0.638 28 V HN 0.391 nan 8.190 nan 0.000 0.445 29 R N 0.394 120.933 120.500 0.064 0.000 2.159 29 R HA -0.276 4.063 4.340 -0.001 0.000 0.249 29 R C 2.236 178.555 176.300 0.032 0.000 1.136 29 R CA 2.354 58.489 56.100 0.058 0.000 0.951 29 R CB -0.263 30.080 30.300 0.070 0.000 0.876 29 R HN 0.482 nan 8.270 nan 0.000 0.440 30 K N -0.569 119.847 120.400 0.027 0.000 2.486 30 K HA -0.038 4.281 4.320 -0.001 0.000 0.194 30 K C 2.088 178.690 176.600 0.004 0.000 1.033 30 K CA 0.619 56.915 56.287 0.015 0.000 1.004 30 K CB 0.140 32.651 32.500 0.017 0.000 0.798 30 K HN 0.241 nan 8.250 nan 0.000 0.495 31 R N 0.236 120.735 120.500 -0.003 0.000 2.090 31 R HA 0.133 4.472 4.340 -0.001 0.000 0.219 31 R C 1.945 178.233 176.300 -0.020 0.000 1.100 31 R CA 0.599 56.689 56.100 -0.017 0.000 0.991 31 R CB 0.081 30.362 30.300 -0.031 0.000 0.893 31 R HN 0.100 nan 8.270 nan 0.000 0.443 32 L N 0.564 121.777 121.223 -0.016 0.000 2.446 32 L HA 0.068 4.407 4.340 -0.001 0.000 0.219 32 L C 0.030 176.896 176.870 -0.007 0.000 1.116 32 L CA 0.095 54.925 54.840 -0.016 0.000 0.844 32 L CB -0.207 41.847 42.059 -0.008 0.000 0.970 32 L HN 0.274 nan 8.230 nan 0.000 0.457 33 N N 2.050 120.750 118.700 0.000 0.000 2.714 33 N HA -0.199 4.541 4.740 -0.001 0.000 0.252 33 N C -0.284 175.225 175.510 -0.003 0.000 1.014 33 N CA 1.004 54.054 53.050 -0.001 0.000 0.735 33 N CB -0.624 37.859 38.487 -0.007 0.000 0.924 33 N HN 0.606 nan 8.380 nan 0.000 0.540 34 R N -2.368 118.134 120.500 0.004 0.000 2.692 34 R HA 0.569 4.909 4.340 -0.001 0.000 0.269 34 R C -3.191 173.112 176.300 0.006 0.000 1.030 34 R CA -1.441 54.657 56.100 -0.002 0.000 0.882 34 R CB 0.534 30.829 30.300 -0.008 0.000 1.250 34 R HN -0.261 nan 8.270 nan 0.000 0.465 35 P HA 0.038 nan 4.420 nan 0.000 0.265 35 P C -0.694 176.598 177.300 -0.014 0.000 1.187 35 P CA 0.085 63.175 63.100 -0.017 0.000 0.766 35 P CB 0.443 32.118 31.700 -0.041 0.000 0.820 36 L N 1.459 122.678 121.223 -0.007 0.000 2.322 36 L HA 0.493 4.832 4.340 -0.001 0.000 0.269 36 L C 1.287 178.113 176.870 -0.072 0.000 1.012 36 L CA -0.866 53.971 54.840 -0.005 0.000 0.815 36 L CB 1.793 43.886 42.059 0.058 0.000 1.295 36 L HN 0.387 nan 8.230 nan 0.000 0.438 37 T N -1.726 112.759 114.554 -0.116 0.000 2.788 37 T HA 0.177 4.527 4.350 -0.001 0.000 0.280 37 T C 0.897 175.562 174.700 -0.058 0.000 0.984 37 T CA -0.578 61.435 62.100 -0.144 0.000 0.972 37 T CB 1.069 69.832 68.868 -0.174 0.000 1.039 37 T HN 0.455 nan 8.240 nan 0.000 0.530 38 L N 1.380 122.601 121.223 -0.004 0.000 2.017 38 L HA -0.036 4.304 4.340 -0.001 0.000 0.208 38 L C 2.766 179.634 176.870 -0.003 0.000 1.073 38 L CA 2.690 57.546 54.840 0.025 0.000 0.745 38 L CB -1.305 40.795 42.059 0.070 0.000 0.894 38 L HN 0.953 nan 8.230 nan 0.000 0.432 39 S N -1.870 113.817 115.700 -0.020 0.000 2.453 39 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 39 S C 1.728 176.216 174.600 -0.187 0.000 1.005 39 S CA 0.907 59.074 58.200 -0.056 0.000 0.949 39 S CB -0.574 62.607 63.200 -0.032 0.000 0.774 39 S HN 0.627 nan 8.310 nan 0.000 0.510 40 E N 1.578 121.613 120.200 -0.275 0.000 2.072 40 E HA -0.051 4.298 4.350 -0.001 0.000 0.190 40 E C 2.087 178.447 176.600 -0.401 0.000 0.982 40 E CA 0.897 56.917 56.400 -0.634 0.000 0.803 40 E CB -0.108 29.335 29.700 -0.428 0.000 0.755 40 E HN 0.546 nan 8.360 nan 0.000 0.453 41 K N 0.687 121.021 120.400 -0.111 0.000 2.032 41 K HA -0.141 4.179 4.320 -0.001 0.000 0.209 41 K C 2.105 178.738 176.600 0.055 0.000 1.048 41 K CA 1.244 57.546 56.287 0.025 0.000 0.927 41 K CB -0.103 32.440 32.500 0.071 0.000 0.712 41 K HN 0.106 nan 8.250 nan 0.000 0.441 42 I N 0.140 120.737 120.570 0.046 0.000 2.286 42 I HA -0.234 3.935 4.170 -0.001 0.000 0.245 42 I C 2.137 178.363 176.117 0.181 0.000 1.104 42 I CA 0.822 62.202 61.300 0.133 0.000 1.397 42 I CB -0.161 37.899 38.000 0.100 0.000 1.072 42 I HN -0.044 nan 8.210 nan 0.000 0.417 43 V N 0.381 120.309 119.914 0.024 0.000 2.244 43 V HA -0.296 3.824 4.120 -0.001 0.000 0.244 43 V C 2.199 178.424 176.094 0.220 0.000 1.042 43 V CA 1.919 64.261 62.300 0.070 0.000 1.006 43 V CB -0.773 31.007 31.823 -0.072 0.000 0.641 43 V HN 0.356 nan 8.190 nan 0.000 0.446 44 Y N 0.643 121.012 120.300 0.116 0.000 2.333 44 Y HA -0.101 4.448 4.550 -0.001 0.000 0.290 44 Y C 2.484 178.440 175.900 0.093 0.000 1.144 44 Y CA 0.340 58.495 58.100 0.091 0.000 1.228 44 Y CB -0.508 37.989 38.460 0.062 0.000 0.985 44 Y HN 0.389 nan 8.280 nan 0.000 0.542 45 G N -1.112 107.820 108.800 0.220 0.000 2.598 45 G HA2 -0.182 3.777 3.960 -0.001 0.000 0.215 45 G HA3 -0.182 3.777 3.960 -0.001 0.000 0.215 45 G C 0.476 175.395 174.900 0.031 0.000 1.131 45 G CA 0.585 45.746 45.100 0.102 0.000 0.785 45 G HN 0.469 nan 8.290 nan 0.000 0.539 46 H N -0.903 118.244 119.070 0.127 0.000 2.528 46 H HA 0.389 4.944 4.556 -0.001 0.000 0.282 46 H C 0.630 176.037 175.328 0.133 0.000 1.097 46 H CA -0.637 55.484 56.048 0.122 0.000 1.121 46 H CB 0.304 30.143 29.762 0.128 0.000 1.590 46 H HN 0.123 nan 8.280 nan 0.000 0.553 47 L N 0.507 121.858 121.223 0.214 0.000 2.461 47 L HA -0.024 4.316 4.340 -0.001 0.000 0.272 47 L C 1.487 178.431 176.870 0.122 0.000 1.197 47 L CA 0.287 55.224 54.840 0.162 0.000 0.836 47 L CB 0.730 42.862 42.059 0.121 0.000 1.105 47 L HN 0.255 nan 8.230 nan 0.000 0.477 48 D N 0.127 120.591 120.400 0.107 0.000 2.194 48 D HA -0.118 4.521 4.640 -0.001 0.000 0.204 48 D C 0.163 176.499 176.300 0.060 0.000 0.964 48 D CA 0.911 54.963 54.000 0.087 0.000 0.846 48 D CB 0.360 41.212 40.800 0.087 0.000 0.962 48 D HN 0.455 nan 8.370 nan 0.000 0.490 49 D N -0.984 119.445 120.400 0.049 0.000 2.363 49 D HA 0.162 4.801 4.640 -0.001 0.000 0.258 49 D C -1.976 174.337 176.300 0.021 0.000 1.259 49 D CA -1.869 52.150 54.000 0.032 0.000 0.921 49 D CB 1.651 42.465 40.800 0.024 0.000 1.201 49 D HN -0.015 nan 8.370 nan 0.000 0.524 50 P HA -0.065 nan 4.420 nan 0.000 0.221 50 P C 1.141 178.439 177.300 -0.004 0.000 1.150 50 P CA 0.497 63.606 63.100 0.014 0.000 0.800 50 P CB 0.428 32.148 31.700 0.034 0.000 0.787 51 A N 0.362 123.183 122.820 0.002 0.000 1.930 51 A HA -0.134 4.185 4.320 -0.001 0.000 0.217 51 A C 2.127 179.704 177.584 -0.013 0.000 1.175 51 A CA 1.529 53.564 52.037 -0.004 0.000 0.627 51 A CB -0.838 18.164 19.000 0.003 0.000 0.815 51 A HN 0.151 nan 8.150 nan 0.000 0.443 52 N N -1.163 117.530 118.700 -0.011 0.000 2.407 52 N HA 0.034 4.773 4.740 -0.001 0.000 0.182 52 N C 0.611 176.105 175.510 -0.026 0.000 1.079 52 N CA 0.186 53.227 53.050 -0.016 0.000 0.882 52 N CB -0.206 38.277 38.487 -0.008 0.000 1.106 52 N HN 0.521 nan 8.380 nan 0.000 0.461 53 Q N 3.086 122.869 119.800 -0.028 0.000 2.398 53 Q HA -0.113 4.226 4.340 -0.001 0.000 0.329 53 Q C -0.243 175.716 176.000 -0.069 0.000 1.079 53 Q CA 0.324 56.103 55.803 -0.041 0.000 1.041 53 Q CB 0.303 29.014 28.738 -0.045 0.000 1.084 53 Q HN 0.188 nan 8.270 nan 0.000 0.386 54 E N 5.320 125.487 120.200 -0.056 0.000 2.257 54 E HA 0.126 4.475 4.350 -0.001 0.000 0.278 54 E C -0.704 175.838 176.600 -0.096 0.000 1.049 54 E CA 0.079 56.440 56.400 -0.065 0.000 0.876 54 E CB 0.335 30.010 29.700 -0.041 0.000 1.035 54 E HN 0.575 nan 8.360 nan 0.000 0.419 55 I N 2.826 123.315 120.570 -0.134 0.000 2.382 55 I HA 0.279 4.449 4.170 -0.001 0.000 0.285 55 I C 0.005 176.052 176.117 -0.115 0.000 1.007 55 I CA -0.369 60.818 61.300 -0.188 0.000 1.142 55 I CB 1.000 38.763 38.000 -0.394 0.000 1.289 55 I HN 0.450 nan 8.210 nan 0.000 0.453 56 E N 5.802 125.961 120.200 -0.068 0.000 2.304 56 E HA 0.399 4.748 4.350 -0.001 0.000 0.277 56 E C -1.013 175.580 176.600 -0.013 0.000 0.898 56 E CA -0.951 55.428 56.400 -0.036 0.000 0.764 56 E CB 2.507 32.182 29.700 -0.041 0.000 1.216 56 E HN 0.467 nan 8.360 nan 0.000 0.419 57 R N 0.617 121.129 120.500 0.020 0.000 2.442 57 R HA 0.259 4.598 4.340 -0.001 0.000 0.291 57 R C 0.939 177.236 176.300 -0.006 0.000 1.069 57 R CA 0.925 57.044 56.100 0.032 0.000 1.022 57 R CB 0.603 30.939 30.300 0.060 0.000 0.976 57 R HN 0.900 nan 8.270 nan 0.000 0.443 58 G N 2.027 110.808 108.800 -0.031 0.000 2.189 58 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.267 58 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.267 58 G C 0.804 175.644 174.900 -0.100 0.000 0.975 58 G CA 0.600 45.663 45.100 -0.060 0.000 0.644 58 G HN 0.573 nan 8.290 nan 0.000 0.537 59 K N -0.276 120.059 120.400 -0.108 0.000 2.309 59 K HA 0.138 4.457 4.320 -0.001 0.000 0.210 59 K C 1.548 178.037 176.600 -0.185 0.000 1.114 59 K CA 1.161 57.374 56.287 -0.122 0.000 0.912 59 K CB -0.230 32.228 32.500 -0.070 0.000 1.198 59 K HN 0.569 nan 8.250 nan 0.000 0.471 60 T N -0.564 113.898 114.554 -0.153 0.000 2.882 60 T HA 0.304 4.653 4.350 -0.001 0.000 0.287 60 T C -0.112 174.450 174.700 -0.230 0.000 1.014 60 T CA -0.465 61.559 62.100 -0.128 0.000 1.049 60 T CB 0.462 69.291 68.868 -0.064 0.000 1.001 60 T HN -0.028 nan 8.240 nan 0.000 0.525 61 Y N 1.001 121.250 120.300 -0.084 0.000 2.341 61 Y HA 0.442 4.991 4.550 -0.001 0.000 0.340 61 Y C 0.384 176.224 175.900 -0.101 0.000 0.997 61 Y CA -0.979 57.052 58.100 -0.114 0.000 1.149 61 Y CB 0.802 39.174 38.460 -0.147 0.000 1.171 61 Y HN 0.450 nan 8.280 nan 0.000 0.494 62 L N 4.649 125.887 121.223 0.025 0.000 2.349 62 L HA 0.460 4.800 4.340 -0.001 0.000 0.275 62 L C 0.205 177.070 176.870 -0.008 0.000 1.115 62 L CA -0.558 54.291 54.840 0.016 0.000 0.820 62 L CB 0.976 43.060 42.059 0.043 0.000 1.135 62 L HN 0.543 nan 8.230 nan 0.000 0.445 63 R N 3.995 124.507 120.500 0.021 0.000 2.275 63 R HA 0.605 4.944 4.340 -0.001 0.000 0.326 63 R C -1.368 174.986 176.300 0.090 0.000 0.973 63 R CA -0.383 55.735 56.100 0.030 0.000 0.854 63 R CB 0.529 30.845 30.300 0.026 0.000 1.156 63 R HN 0.604 nan 8.270 nan 0.000 0.487 64 L N 3.093 124.399 121.223 0.138 0.000 2.313 64 L HA 0.631 4.971 4.340 -0.001 0.000 0.268 64 L C 0.236 177.281 176.870 0.293 0.000 1.010 64 L CA -1.304 53.681 54.840 0.243 0.000 0.814 64 L CB 1.771 44.023 42.059 0.321 0.000 1.304 64 L HN 0.466 nan 8.230 nan 0.000 0.441 65 R N 1.507 122.175 120.500 0.279 0.000 2.363 65 R HA 0.364 4.704 4.340 -0.001 0.000 0.297 65 R C -2.584 173.842 176.300 0.210 0.000 1.208 65 R CA -1.879 54.360 56.100 0.231 0.000 1.121 65 R CB 1.055 31.470 30.300 0.191 0.000 1.124 65 R HN 0.243 nan 8.270 nan 0.000 0.561 66 P HA 0.035 nan 4.420 nan 0.000 0.269 66 P C 0.374 177.678 177.300 0.006 0.000 1.209 66 P CA -0.089 62.984 63.100 -0.043 0.000 0.776 66 P CB 1.016 32.588 31.700 -0.213 0.000 0.876 67 D N 1.581 121.974 120.400 -0.011 0.000 2.103 67 D HA -0.045 4.594 4.640 -0.001 0.000 0.199 67 D C 0.877 177.183 176.300 0.010 0.000 0.978 67 D CA 1.446 55.479 54.000 0.056 0.000 0.829 67 D CB 0.302 41.161 40.800 0.099 0.000 0.981 67 D HN 0.506 nan 8.370 nan 0.000 0.464 68 R N -0.855 119.617 120.500 -0.048 0.000 2.764 68 R HA 0.618 4.958 4.340 -0.001 0.000 0.270 68 R C -1.557 174.665 176.300 -0.130 0.000 1.014 68 R CA -0.833 55.227 56.100 -0.066 0.000 0.904 68 R CB 1.580 31.861 30.300 -0.033 0.000 1.236 68 R HN -0.259 nan 8.270 nan 0.000 0.466 69 V N 0.772 120.604 119.914 -0.138 0.000 2.448 69 V HA 0.749 4.868 4.120 -0.001 0.000 0.295 69 V C -0.427 175.581 176.094 -0.143 0.000 1.025 69 V CA -0.600 61.603 62.300 -0.161 0.000 0.859 69 V CB 1.396 33.121 31.823 -0.163 0.000 0.988 69 V HN 0.955 nan 8.190 nan 0.000 0.431 70 A N 6.143 128.884 122.820 -0.132 0.000 2.350 70 A HA 0.998 5.318 4.320 -0.001 0.000 0.324 70 A C -0.727 176.823 177.584 -0.056 0.000 1.118 70 A CA -0.640 51.345 52.037 -0.087 0.000 0.783 70 A CB 1.488 20.404 19.000 -0.139 0.000 1.236 70 A HN 0.803 nan 8.150 nan 0.000 0.457 71 M N 1.863 121.475 119.600 0.021 0.000 2.518 71 M HA 0.389 4.869 4.480 -0.001 0.000 0.300 71 M C -0.518 175.817 176.300 0.058 0.000 1.175 71 M CA -0.696 54.607 55.300 0.006 0.000 0.890 71 M CB 2.362 34.958 32.600 -0.007 0.000 1.710 71 M HN 0.816 nan 8.290 nan 0.000 0.453 72 Q N 2.112 121.895 119.800 -0.029 0.000 2.257 72 Q HA 0.218 4.557 4.340 -0.001 0.000 0.262 72 Q C -0.312 175.668 176.000 -0.033 0.000 0.997 72 Q CA -0.299 55.461 55.803 -0.070 0.000 0.873 72 Q CB 1.544 30.146 28.738 -0.226 0.000 1.312 72 Q HN 0.849 nan 8.270 nan 0.000 0.450 73 D N 2.040 122.466 120.400 0.042 0.000 2.312 73 D HA -0.051 4.588 4.640 -0.001 0.000 0.211 73 D C 1.135 177.491 176.300 0.092 0.000 0.964 73 D CA 1.134 55.209 54.000 0.125 0.000 0.877 73 D CB -0.197 40.749 40.800 0.243 0.000 0.924 73 D HN 0.514 nan 8.370 nan 0.000 0.515 74 A N 0.453 123.268 122.820 -0.009 0.000 2.067 74 A HA 0.018 4.338 4.320 -0.001 0.000 0.217 74 A C 2.140 179.724 177.584 0.001 0.000 1.156 74 A CA 1.645 53.679 52.037 -0.005 0.000 0.683 74 A CB -0.465 18.513 19.000 -0.037 0.000 0.808 74 A HN 0.409 nan 8.150 nan 0.000 0.455 75 T N -4.708 109.837 114.554 -0.015 0.000 2.985 75 T HA 0.474 4.824 4.350 -0.001 0.000 0.254 75 T C 1.715 176.470 174.700 0.091 0.000 1.021 75 T CA 0.816 62.960 62.100 0.073 0.000 0.957 75 T CB 0.166 69.049 68.868 0.026 0.000 1.047 75 T HN 0.360 nan 8.240 nan 0.000 0.511 76 A N 2.053 124.919 122.820 0.076 0.000 1.969 76 A HA -0.054 4.265 4.320 -0.001 0.000 0.218 76 A C 2.381 180.056 177.584 0.152 0.000 1.169 76 A CA 1.253 53.343 52.037 0.088 0.000 0.635 76 A CB -0.619 18.438 19.000 0.095 0.000 0.810 76 A HN 0.607 nan 8.150 nan 0.000 0.445 77 Q N -1.731 118.197 119.800 0.212 0.000 2.046 77 Q HA -0.153 4.186 4.340 -0.001 0.000 0.200 77 Q C 2.080 178.222 176.000 0.237 0.000 0.975 77 Q CA 1.656 57.644 55.803 0.309 0.000 0.836 77 Q CB -0.281 28.607 28.738 0.250 0.000 0.896 77 Q HN 0.596 nan 8.270 nan 0.000 0.428 78 M N 0.532 120.235 119.600 0.171 0.000 2.254 78 M HA 0.021 4.501 4.480 -0.001 0.000 0.265 78 M C 1.892 178.222 176.300 0.049 0.000 1.066 78 M CA 1.299 56.645 55.300 0.078 0.000 1.123 78 M CB -0.320 32.282 32.600 0.003 0.000 1.388 78 M HN 0.178 nan 8.290 nan 0.000 0.425 79 A N -0.184 122.674 122.820 0.063 0.000 1.898 79 A HA -0.131 4.189 4.320 -0.001 0.000 0.216 79 A C 2.037 179.652 177.584 0.051 0.000 1.181 79 A CA 1.746 53.803 52.037 0.033 0.000 0.620 79 A CB -0.547 18.460 19.000 0.012 0.000 0.819 79 A HN 0.482 nan 8.150 nan 0.000 0.442 80 M N -0.453 119.197 119.600 0.084 0.000 2.229 80 M HA 0.035 4.514 4.480 -0.001 0.000 0.264 80 M C 2.066 178.464 176.300 0.164 0.000 1.063 80 M CA 1.035 56.390 55.300 0.091 0.000 1.114 80 M CB -1.395 31.252 32.600 0.077 0.000 1.387 80 M HN 0.373 nan 8.290 nan 0.000 0.420 81 L N -0.498 120.843 121.223 0.196 0.000 2.093 81 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 81 L C 2.491 179.379 176.870 0.029 0.000 1.085 81 L CA 1.134 56.052 54.840 0.129 0.000 0.755 81 L CB -0.490 41.601 42.059 0.054 0.000 0.904 81 L HN 0.387 nan 8.230 nan 0.000 0.435 82 Q N -1.183 118.623 119.800 0.010 0.000 2.123 82 Q HA -0.193 4.147 4.340 -0.001 0.000 0.199 82 Q C 2.107 178.093 176.000 -0.023 0.000 0.966 82 Q CA 1.353 57.136 55.803 -0.033 0.000 0.845 82 Q CB -0.103 28.614 28.738 -0.035 0.000 0.907 82 Q HN 0.373 nan 8.270 nan 0.000 0.439 83 F N 1.188 121.053 119.950 -0.141 0.000 2.146 83 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 83 F C 1.869 177.522 175.800 -0.245 0.000 1.096 83 F CA 1.028 58.899 58.000 -0.214 0.000 1.275 83 F CB -0.094 38.717 39.000 -0.317 0.000 1.008 83 F HN -0.037 nan 8.300 nan 0.000 0.480 84 I N -0.494 119.985 120.570 -0.151 0.000 2.163 84 I HA -0.375 3.794 4.170 -0.001 0.000 0.243 84 I C 2.326 178.358 176.117 -0.143 0.000 1.085 84 I CA 1.709 62.937 61.300 -0.121 0.000 1.347 84 I CB -0.602 37.444 38.000 0.076 0.000 1.044 84 I HN 0.059 nan 8.210 nan 0.000 0.408 85 S N 0.449 116.074 115.700 -0.126 0.000 2.419 85 S HA -0.170 4.300 4.470 -0.001 0.000 0.233 85 S C 2.073 176.568 174.600 -0.175 0.000 1.016 85 S CA 1.452 59.574 58.200 -0.131 0.000 0.974 85 S CB -0.437 62.688 63.200 -0.124 0.000 0.786 85 S HN 0.645 nan 8.310 nan 0.000 0.492 86 S N 1.058 116.598 115.700 -0.266 0.000 2.419 86 S HA 0.128 4.597 4.470 -0.001 0.000 0.233 86 S C 1.851 176.298 174.600 -0.254 0.000 1.016 86 S CA 1.054 59.091 58.200 -0.272 0.000 0.974 86 S CB -0.790 62.184 63.200 -0.377 0.000 0.786 86 S HN 0.892 nan 8.310 nan 0.000 0.492 87 G N 0.702 109.334 108.800 -0.280 0.000 2.176 87 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.253 87 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.253 87 G C 0.023 174.813 174.900 -0.183 0.000 0.979 87 G CA 0.276 45.272 45.100 -0.173 0.000 0.641 87 G HN 0.556 nan 8.290 nan 0.000 0.530 88 L N 1.428 122.437 121.223 -0.357 0.000 2.461 88 L HA 0.255 4.594 4.340 -0.001 0.000 0.272 88 L C 0.150 176.994 176.870 -0.042 0.000 1.197 88 L CA -0.958 53.742 54.840 -0.234 0.000 0.836 88 L CB 0.737 42.592 42.059 -0.339 0.000 1.105 88 L HN 0.045 nan 8.230 nan 0.000 0.477 89 P HA -0.009 nan 4.420 nan 0.000 0.226 89 P C -0.322 177.200 177.300 0.370 0.000 1.161 89 P CA 0.799 64.023 63.100 0.206 0.000 0.804 89 P CB 0.551 32.315 31.700 0.106 0.000 0.829 90 K N 0.155 120.814 120.400 0.432 0.000 2.579 90 K HA 0.382 4.702 4.320 -0.001 0.000 0.284 90 K C -1.317 175.502 176.600 0.365 0.000 0.990 90 K CA -0.937 55.589 56.287 0.397 0.000 0.880 90 K CB 1.523 34.140 32.500 0.196 0.000 1.488 90 K HN -0.201 nan 8.250 nan 0.000 0.425 91 V N 0.986 120.978 119.914 0.130 0.000 2.583 91 V HA 0.638 4.757 4.120 -0.001 0.000 0.287 91 V C 1.078 177.191 176.094 0.031 0.000 1.051 91 V CA 0.347 62.610 62.300 -0.061 0.000 1.010 91 V CB 0.708 32.370 31.823 -0.269 0.000 0.988 91 V HN 0.915 nan 8.190 nan 0.000 0.478 92 A N 3.914 126.759 122.820 0.042 0.000 2.066 92 A HA 0.379 4.699 4.320 -0.001 0.000 0.218 92 A C 0.997 178.599 177.584 0.030 0.000 1.157 92 A CA 1.426 53.496 52.037 0.055 0.000 0.670 92 A CB -0.530 18.511 19.000 0.069 0.000 0.804 92 A HN 1.909 nan 8.150 nan 0.000 0.453 93 V N -6.208 113.705 119.914 -0.002 0.000 3.159 93 V HA 0.595 4.714 4.120 -0.001 0.000 0.308 93 V C -3.337 172.747 176.094 -0.016 0.000 1.190 93 V CA -2.980 59.319 62.300 -0.003 0.000 1.037 93 V CB 1.244 33.062 31.823 -0.008 0.000 1.060 93 V HN -0.033 nan 8.190 nan 0.000 0.437 94 P HA 0.205 nan 4.420 nan 0.000 0.255 94 P C -0.494 176.778 177.300 -0.045 0.000 1.173 94 P CA 0.945 64.048 63.100 0.005 0.000 0.780 94 P CB 0.050 31.770 31.700 0.033 0.000 0.758 95 S N 1.766 117.430 115.700 -0.059 0.000 2.536 95 S HA 0.739 5.209 4.470 -0.001 0.000 0.298 95 S C -0.135 174.413 174.600 -0.087 0.000 1.083 95 S CA -0.677 57.462 58.200 -0.100 0.000 0.995 95 S CB 1.690 64.810 63.200 -0.133 0.000 1.058 95 S HN 0.469 nan 8.310 nan 0.000 0.488 96 T N -0.703 113.787 114.554 -0.107 0.000 2.893 96 T HA 0.760 5.109 4.350 -0.001 0.000 0.291 96 T C -0.558 174.078 174.700 -0.106 0.000 1.028 96 T CA -0.695 61.340 62.100 -0.108 0.000 0.995 96 T CB 0.621 69.372 68.868 -0.194 0.000 1.051 96 T HN 0.445 nan 8.240 nan 0.000 0.470 97 I N 2.408 122.911 120.570 -0.112 0.000 2.412 97 I HA 0.400 4.569 4.170 -0.001 0.000 0.296 97 I C 0.071 176.028 176.117 -0.267 0.000 0.987 97 I CA -0.934 60.339 61.300 -0.045 0.000 1.180 97 I CB 1.161 39.245 38.000 0.140 0.000 1.340 97 I HN 0.596 nan 8.210 nan 0.000 0.455 98 H N 4.453 123.491 119.070 -0.053 0.000 2.529 98 H HA 0.310 4.866 4.556 -0.001 0.000 0.348 98 H C -1.185 174.097 175.328 -0.076 0.000 1.079 98 H CA -0.649 55.330 56.048 -0.114 0.000 1.198 98 H CB 2.056 31.685 29.762 -0.222 0.000 1.521 98 H HN 0.523 nan 8.280 nan 0.000 0.514 99 C N 3.563 122.837 119.300 -0.044 0.000 2.125 99 C HA 0.102 4.562 4.460 -0.001 0.000 0.355 99 C C 0.966 175.982 174.990 0.044 0.000 1.047 99 C CA -0.599 58.425 59.018 0.009 0.000 1.501 99 C CB -1.402 26.241 27.740 -0.161 0.000 1.783 99 C HN 0.816 nan 8.230 nan 0.000 0.455 100 D N -0.922 119.552 120.400 0.124 0.000 2.480 100 D HA 0.011 4.650 4.640 -0.001 0.000 0.243 100 D C 0.997 177.346 176.300 0.081 0.000 1.120 100 D CA 0.318 54.369 54.000 0.086 0.000 0.835 100 D CB -0.303 40.525 40.800 0.045 0.000 1.204 100 D HN 0.460 nan 8.370 nan 0.000 0.513 101 H N 0.135 119.226 119.070 0.034 0.000 2.563 101 H HA 0.394 4.949 4.556 -0.001 0.000 0.264 101 H C 1.025 176.383 175.328 0.049 0.000 0.957 101 H CA 0.474 56.540 56.048 0.030 0.000 1.173 101 H CB 0.401 30.181 29.762 0.030 0.000 1.420 101 H HN 0.066 nan 8.280 nan 0.000 0.551 102 L N 0.773 122.101 121.223 0.175 0.000 2.848 102 L HA 0.304 4.644 4.340 -0.001 0.000 0.240 102 L C -0.480 176.456 176.870 0.111 0.000 1.232 102 L CA 0.079 54.992 54.840 0.120 0.000 1.031 102 L CB 0.234 42.356 42.059 0.104 0.000 1.338 102 L HN 0.095 nan 8.230 nan 0.000 0.509 103 I N 0.214 120.835 120.570 0.085 0.000 2.420 103 I HA 0.204 4.373 4.170 -0.001 0.000 0.282 103 I C 0.114 176.253 176.117 0.036 0.000 1.019 103 I CA -0.266 61.078 61.300 0.074 0.000 1.130 103 I CB 2.017 40.056 38.000 0.065 0.000 1.262 103 I HN 0.118 nan 8.210 nan 0.000 0.454 104 E N 5.025 125.254 120.200 0.047 0.000 2.283 104 E HA 0.528 4.878 4.350 -0.001 0.000 0.278 104 E C -0.383 176.260 176.600 0.072 0.000 1.027 104 E CA -0.637 55.799 56.400 0.060 0.000 0.843 104 E CB 1.395 31.133 29.700 0.064 0.000 1.062 104 E HN 0.694 nan 8.360 nan 0.000 0.401 105 A N 4.204 127.082 122.820 0.097 0.000 2.354 105 A HA 0.116 4.435 4.320 -0.001 0.000 0.281 105 A C 0.313 178.040 177.584 0.238 0.000 1.174 105 A CA 0.032 52.131 52.037 0.104 0.000 0.828 105 A CB 0.860 19.841 19.000 -0.031 0.000 1.099 105 A HN 0.891 nan 8.150 nan 0.000 0.516 106 Q N 1.797 121.694 119.800 0.161 0.000 2.360 106 Q HA 0.247 4.587 4.340 -0.001 0.000 0.178 106 Q C 0.480 176.551 176.000 0.118 0.000 0.673 106 Q CA -0.002 55.895 55.803 0.155 0.000 0.896 106 Q CB 0.159 28.956 28.738 0.099 0.000 1.234 106 Q HN 0.691 nan 8.270 nan 0.000 0.416 107 L N -0.066 121.205 121.223 0.081 0.000 2.642 107 L HA 0.559 4.899 4.340 -0.001 0.000 0.233 107 L C 0.724 177.624 176.870 0.051 0.000 1.077 107 L CA 0.419 55.297 54.840 0.063 0.000 0.879 107 L CB 1.565 43.653 42.059 0.048 0.000 1.151 107 L HN 0.403 nan 8.230 nan 0.000 0.495 108 G N -0.947 107.878 108.800 0.041 0.000 2.355 108 G HA2 0.135 4.094 3.960 -0.001 0.000 0.619 108 G HA3 0.135 4.094 3.960 -0.001 0.000 0.619 108 G C 0.360 175.268 174.900 0.014 0.000 1.337 108 G CA -0.553 44.559 45.100 0.020 0.000 0.993 108 G HN 0.150 nan 8.290 nan 0.000 0.599 109 G N 0.746 109.548 108.800 0.002 0.000 3.911 109 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.245 109 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.245 109 G C 1.681 176.587 174.900 0.010 0.000 0.892 109 G CA 3.085 48.185 45.100 0.001 0.000 0.727 109 G HN 1.783 nan 8.290 nan 0.000 1.411 110 E N 1.134 121.342 120.200 0.013 0.000 2.085 110 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 110 E C 2.310 178.924 176.600 0.023 0.000 0.994 110 E CA 1.880 58.290 56.400 0.017 0.000 0.801 110 E CB -0.601 29.109 29.700 0.017 0.000 0.743 110 E HN 0.636 nan 8.360 nan 0.000 0.453 111 K N 0.774 121.188 120.400 0.024 0.000 2.026 111 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 111 K C 2.042 178.661 176.600 0.033 0.000 1.048 111 K CA 1.593 57.897 56.287 0.028 0.000 0.929 111 K CB -0.073 32.445 32.500 0.029 0.000 0.713 111 K HN 0.080 nan 8.250 nan 0.000 0.439 112 D N 0.833 121.252 120.400 0.033 0.000 2.144 112 D HA -0.138 4.502 4.640 -0.001 0.000 0.199 112 D C 1.821 178.147 176.300 0.043 0.000 0.984 112 D CA 0.798 54.821 54.000 0.038 0.000 0.834 112 D CB -0.150 40.671 40.800 0.034 0.000 0.955 112 D HN 0.006 nan 8.370 nan 0.000 0.465 113 L N 0.892 122.137 121.223 0.036 0.000 2.056 113 L HA -0.065 4.275 4.340 -0.001 0.000 0.207 113 L C 2.263 179.167 176.870 0.056 0.000 1.078 113 L CA 1.476 56.342 54.840 0.043 0.000 0.749 113 L CB -0.314 41.759 42.059 0.024 0.000 0.901 113 L HN -0.147 nan 8.230 nan 0.000 0.433 114 R N -0.441 120.087 120.500 0.046 0.000 2.070 114 R HA -0.226 4.114 4.340 -0.001 0.000 0.233 114 R C 2.553 178.889 176.300 0.059 0.000 1.137 114 R CA 1.890 58.019 56.100 0.048 0.000 0.945 114 R CB -0.331 29.991 30.300 0.037 0.000 0.845 114 R HN 0.361 nan 8.270 nan 0.000 0.430 115 R N 0.088 120.618 120.500 0.051 0.000 2.091 115 R HA -0.148 4.192 4.340 -0.001 0.000 0.238 115 R C 2.044 178.382 176.300 0.063 0.000 1.136 115 R CA 1.754 57.883 56.100 0.047 0.000 0.959 115 R CB -0.341 29.982 30.300 0.038 0.000 0.856 115 R HN 0.314 nan 8.270 nan 0.000 0.437 116 A N 1.051 123.924 122.820 0.088 0.000 1.898 116 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 116 A C 1.958 179.672 177.584 0.216 0.000 1.181 116 A CA 1.579 53.694 52.037 0.130 0.000 0.620 116 A CB -0.295 18.805 19.000 0.168 0.000 0.819 116 A HN 0.384 nan 8.150 nan 0.000 0.442 117 K N -0.368 120.181 120.400 0.247 0.000 2.148 117 K HA -0.109 4.210 4.320 -0.001 0.000 0.204 117 K C 1.291 178.001 176.600 0.182 0.000 1.050 117 K CA 1.303 57.779 56.287 0.316 0.000 0.942 117 K CB -0.149 32.465 32.500 0.189 0.000 0.724 117 K HN 0.413 nan 8.250 nan 0.000 0.446 118 D N 1.007 121.469 120.400 0.104 0.000 2.091 118 D HA -0.096 4.544 4.640 -0.001 0.000 0.199 118 D C 1.855 178.170 176.300 0.025 0.000 0.980 118 D CA 0.852 54.887 54.000 0.059 0.000 0.831 118 D CB -0.090 40.735 40.800 0.041 0.000 0.987 118 D HN 0.002 nan 8.370 nan 0.000 0.460 119 I N 1.374 121.950 120.570 0.010 0.000 2.335 119 I HA -0.172 3.998 4.170 -0.001 0.000 0.251 119 I C 1.152 177.216 176.117 -0.088 0.000 1.129 119 I CA 1.159 62.439 61.300 -0.033 0.000 1.402 119 I CB -0.713 37.270 38.000 -0.029 0.000 1.069 119 I HN 0.017 nan 8.210 nan 0.000 0.424 120 N N 0.121 118.741 118.700 -0.133 0.000 2.187 120 N HA -0.023 4.716 4.740 -0.001 0.000 0.212 120 N C 1.582 176.896 175.510 -0.327 0.000 1.152 120 N CA -0.030 52.810 53.050 -0.351 0.000 0.872 120 N CB 0.428 38.451 38.487 -0.773 0.000 1.025 120 N HN 0.336 nan 8.380 nan 0.000 0.514 121 Q N 1.925 121.693 119.800 -0.055 0.000 2.197 121 Q HA -0.221 4.119 4.340 -0.001 0.000 0.211 121 Q C 1.700 177.728 176.000 0.046 0.000 0.993 121 Q CA 1.814 57.658 55.803 0.069 0.000 0.883 121 Q CB -0.090 28.690 28.738 0.070 0.000 0.916 121 Q HN 0.428 nan 8.270 nan 0.000 0.418 122 E N -1.207 118.990 120.200 -0.005 0.000 2.077 122 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 122 E C 1.775 178.416 176.600 0.069 0.000 0.989 122 E CA 1.552 57.967 56.400 0.025 0.000 0.800 122 E CB 0.074 29.771 29.700 -0.006 0.000 0.746 122 E HN 0.360 nan 8.360 nan 0.000 0.452 123 V N 0.318 120.234 119.914 0.004 0.000 2.407 123 V HA -0.191 3.928 4.120 -0.001 0.000 0.245 123 V C 1.938 178.172 176.094 0.233 0.000 1.041 123 V CA 1.287 63.639 62.300 0.086 0.000 1.040 123 V CB -0.550 31.239 31.823 -0.056 0.000 0.671 123 V HN 0.313 nan 8.190 nan 0.000 0.455 124 Y N 0.583 120.979 120.300 0.160 0.000 2.181 124 Y HA -0.170 4.380 4.550 -0.001 0.000 0.288 124 Y C 2.536 178.465 175.900 0.049 0.000 1.146 124 Y CA 1.096 59.299 58.100 0.173 0.000 1.164 124 Y CB -1.115 37.453 38.460 0.179 0.000 0.982 124 Y HN 0.316 nan 8.280 nan 0.000 0.515 125 N N -0.379 118.441 118.700 0.199 0.000 2.142 125 N HA -0.217 4.522 4.740 -0.001 0.000 0.186 125 N C 2.000 177.531 175.510 0.035 0.000 1.023 125 N CA 1.001 54.090 53.050 0.064 0.000 0.852 125 N CB -0.367 38.170 38.487 0.082 0.000 0.998 125 N HN 0.264 nan 8.380 nan 0.000 0.424 126 F N 2.228 122.175 119.950 -0.004 0.000 2.069 126 F HA -0.131 4.395 4.527 -0.001 0.000 0.298 126 F C 2.174 177.957 175.800 -0.029 0.000 1.113 126 F CA 1.307 59.305 58.000 -0.003 0.000 1.214 126 F CB -0.623 38.395 39.000 0.030 0.000 0.978 126 F HN -0.010 nan 8.300 nan 0.000 0.474 127 L N -0.184 120.943 121.223 -0.159 0.000 2.131 127 L HA -0.201 4.139 4.340 -0.001 0.000 0.210 127 L C 2.702 179.261 176.870 -0.518 0.000 1.092 127 L CA 1.203 55.884 54.840 -0.266 0.000 0.759 127 L CB -1.196 40.961 42.059 0.163 0.000 0.903 127 L HN 0.330 nan 8.230 nan 0.000 0.435 128 A N -0.068 122.253 122.820 -0.831 0.000 1.930 128 A HA -0.140 4.180 4.320 -0.001 0.000 0.215 128 A C 2.390 179.639 177.584 -0.559 0.000 1.176 128 A CA 1.727 53.066 52.037 -1.163 0.000 0.632 128 A CB -0.636 17.615 19.000 -1.248 0.000 0.819 128 A HN 0.490 nan 8.150 nan 0.000 0.445 129 T N -2.870 111.454 114.554 -0.383 0.000 2.978 129 T HA 0.258 4.608 4.350 -0.001 0.000 0.262 129 T C 1.887 176.435 174.700 -0.253 0.000 1.063 129 T CA 1.210 63.155 62.100 -0.258 0.000 1.140 129 T CB -0.282 68.487 68.868 -0.165 0.000 0.886 129 T HN 0.426 nan 8.240 nan 0.000 0.470 130 A N 1.642 124.269 122.820 -0.322 0.000 1.968 130 A HA 0.347 4.666 4.320 -0.001 0.000 0.217 130 A C 2.615 180.160 177.584 -0.064 0.000 1.169 130 A CA 1.362 53.292 52.037 -0.177 0.000 0.638 130 A CB -1.477 17.309 19.000 -0.356 0.000 0.812 130 A HN 0.585 nan 8.150 nan 0.000 0.446 131 G N -0.261 108.429 108.800 -0.184 0.000 2.421 131 G HA2 0.005 3.965 3.960 -0.001 0.000 0.216 131 G HA3 0.005 3.965 3.960 -0.001 0.000 0.216 131 G C 1.772 176.609 174.900 -0.106 0.000 1.171 131 G CA 1.407 46.436 45.100 -0.118 0.000 0.775 131 G HN 0.749 nan 8.290 nan 0.000 0.543 132 A N 0.712 123.431 122.820 -0.168 0.000 1.883 132 A HA -0.071 4.248 4.320 -0.001 0.000 0.217 132 A C 2.225 179.726 177.584 -0.138 0.000 1.186 132 A CA 2.252 54.204 52.037 -0.140 0.000 0.624 132 A CB -0.462 18.443 19.000 -0.158 0.000 0.822 132 A HN 0.415 nan 8.150 nan 0.000 0.444 133 K N -1.719 118.560 120.400 -0.202 0.000 2.025 133 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 133 K C 1.418 177.812 176.600 -0.344 0.000 1.049 133 K CA 1.705 57.795 56.287 -0.328 0.000 0.933 133 K CB -0.264 31.907 32.500 -0.548 0.000 0.714 133 K HN 0.583 nan 8.250 nan 0.000 0.438 134 Y N -0.576 119.712 120.300 -0.020 0.000 2.466 134 Y HA 0.207 4.757 4.550 -0.001 0.000 0.272 134 Y C 0.984 176.873 175.900 -0.018 0.000 1.169 134 Y CA 0.257 58.371 58.100 0.024 0.000 1.285 134 Y CB 1.138 39.624 38.460 0.044 0.000 1.078 134 Y HN 0.372 nan 8.280 nan 0.000 0.523 135 G N 0.688 109.526 108.800 0.064 0.000 2.165 135 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.226 135 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.226 135 G C -0.546 174.375 174.900 0.036 0.000 1.035 135 G CA -0.023 45.104 45.100 0.044 0.000 0.744 135 G HN 0.096 nan 8.290 nan 0.000 0.501 136 V N 0.493 120.412 119.914 0.008 0.000 2.427 136 V HA 0.739 4.859 4.120 -0.001 0.000 0.286 136 V C 1.303 177.390 176.094 -0.012 0.000 1.034 136 V CA -0.102 62.190 62.300 -0.014 0.000 0.893 136 V CB 1.588 33.382 31.823 -0.048 0.000 0.982 136 V HN 0.785 nan 8.190 nan 0.000 0.452 137 G N 3.129 111.940 108.800 0.019 0.000 2.442 137 G HA2 0.380 4.340 3.960 -0.001 0.000 0.249 137 G HA3 0.380 4.340 3.960 -0.001 0.000 0.249 137 G C -1.055 173.748 174.900 -0.162 0.000 1.263 137 G CA 0.014 45.086 45.100 -0.046 0.000 0.846 137 G HN 0.578 nan 8.290 nan 0.000 0.555 138 F N 2.331 121.864 119.950 -0.695 0.000 2.499 138 F HA 0.587 5.114 4.527 -0.001 0.000 0.333 138 F C -1.339 174.131 175.800 -0.550 0.000 1.138 138 F CA -2.001 55.720 58.000 -0.465 0.000 0.945 138 F CB 1.162 39.942 39.000 -0.367 0.000 1.181 138 F HN 0.444 nan 8.300 nan 0.000 0.435 139 W N 6.785 127.554 121.300 -0.885 0.000 2.316 139 W HA 0.538 5.198 4.660 -0.001 0.000 0.308 139 W C 0.339 176.265 176.519 -0.988 0.000 1.106 139 W CA -0.624 56.315 57.345 -0.676 0.000 1.262 139 W CB 0.865 30.068 29.460 -0.429 0.000 1.233 139 W HN 0.471 nan 8.180 nan 0.000 0.447 140 R N 5.490 125.633 120.500 -0.594 0.000 2.679 140 R HA 0.123 4.463 4.340 -0.001 0.000 0.268 140 R C -1.895 174.195 176.300 -0.350 0.000 1.044 140 R CA -1.070 54.702 56.100 -0.546 0.000 1.105 140 R CB 0.194 30.349 30.300 -0.243 0.000 0.989 140 R HN 0.141 nan 8.270 nan 0.000 0.447 141 P HA -0.052 nan 4.420 nan 0.000 0.264 141 P C 0.147 177.356 177.300 -0.153 0.000 1.183 141 P CA 1.083 63.988 63.100 -0.325 0.000 0.763 141 P CB 0.719 32.056 31.700 -0.605 0.000 0.807 142 G N 2.467 111.216 108.800 -0.085 0.000 2.217 142 G HA2 -0.326 3.634 3.960 -0.001 0.000 0.246 142 G HA3 -0.326 3.634 3.960 -0.001 0.000 0.246 142 G C 1.137 176.031 174.900 -0.010 0.000 0.990 142 G CA 0.527 45.605 45.100 -0.037 0.000 0.627 142 G HN 0.660 nan 8.290 nan 0.000 0.522 143 S N -0.058 115.647 115.700 0.008 0.000 2.461 143 S HA 0.501 4.970 4.470 -0.001 0.000 0.228 143 S C 1.476 176.108 174.600 0.053 0.000 1.005 143 S CA 1.405 59.664 58.200 0.099 0.000 0.942 143 S CB 0.429 63.794 63.200 0.275 0.000 0.776 143 S HN 2.498 nan 8.310 nan 0.000 0.514 144 G N 0.085 108.875 108.800 -0.018 0.000 2.351 144 G HA2 0.224 4.183 3.960 -0.001 0.000 0.353 144 G HA3 0.224 4.183 3.960 -0.001 0.000 0.353 144 G C -1.208 173.621 174.900 -0.118 0.000 1.358 144 G CA -0.837 44.218 45.100 -0.076 0.000 0.995 144 G HN 0.316 nan 8.290 nan 0.000 0.611 145 I N 1.215 121.694 120.570 -0.150 0.000 2.519 145 I HA 0.255 4.424 4.170 -0.001 0.000 0.287 145 I C 2.146 178.072 176.117 -0.319 0.000 1.047 145 I CA -0.439 60.748 61.300 -0.187 0.000 1.381 145 I CB 1.433 39.333 38.000 -0.166 0.000 1.417 145 I HN 0.674 nan 8.210 nan 0.000 0.540 146 I N 4.970 125.269 120.570 -0.452 0.000 2.181 146 I HA -0.393 3.777 4.170 -0.001 0.000 0.247 146 I C 2.115 177.784 176.117 -0.747 0.000 1.081 146 I CA 2.004 62.810 61.300 -0.824 0.000 1.340 146 I CB -0.096 37.415 38.000 -0.814 0.000 1.036 146 I HN 0.675 nan 8.210 nan 0.000 0.417 147 H N -0.483 118.439 119.070 -0.247 0.000 2.512 147 H HA -0.065 4.490 4.556 -0.001 0.000 0.279 147 H C 2.002 177.232 175.328 -0.163 0.000 0.999 147 H CA 1.250 57.187 56.048 -0.185 0.000 1.283 147 H CB -0.102 29.595 29.762 -0.107 0.000 1.421 147 H HN 0.525 nan 8.280 nan 0.000 0.554 148 Q N 0.853 120.584 119.800 -0.114 0.000 2.062 148 Q HA 0.012 4.352 4.340 -0.001 0.000 0.196 148 Q C 2.259 178.173 176.000 -0.144 0.000 0.967 148 Q CA 0.789 56.533 55.803 -0.098 0.000 0.832 148 Q CB -0.005 28.670 28.738 -0.105 0.000 0.899 148 Q HN 0.321 nan 8.270 nan 0.000 0.442 149 I N 0.183 120.595 120.570 -0.262 0.000 2.286 149 I HA -0.261 3.908 4.170 -0.001 0.000 0.248 149 I C 1.996 178.013 176.117 -0.166 0.000 1.115 149 I CA 0.939 62.033 61.300 -0.342 0.000 1.392 149 I CB -0.166 37.432 38.000 -0.670 0.000 1.065 149 I HN 0.293 nan 8.210 nan 0.000 0.418 150 I N -0.020 120.458 120.570 -0.153 0.000 2.179 150 I HA -0.302 3.868 4.170 -0.001 0.000 0.242 150 I C 2.460 178.628 176.117 0.086 0.000 1.088 150 I CA 1.213 62.537 61.300 0.040 0.000 1.357 150 I CB -0.193 37.761 38.000 -0.076 0.000 1.051 150 I HN 0.210 nan 8.210 nan 0.000 0.409 151 L N 0.763 122.009 121.223 0.038 0.000 2.083 151 L HA -0.207 4.132 4.340 -0.001 0.000 0.209 151 L C 2.242 179.226 176.870 0.191 0.000 1.083 151 L CA 1.911 56.799 54.840 0.081 0.000 0.752 151 L CB -0.484 41.581 42.059 0.010 0.000 0.899 151 L HN 0.192 nan 8.230 nan 0.000 0.433 152 E N -1.123 119.141 120.200 0.106 0.000 2.358 152 E HA -0.069 4.280 4.350 -0.001 0.000 0.195 152 E C 1.129 177.747 176.600 0.029 0.000 1.010 152 E CA 0.874 57.308 56.400 0.057 0.000 0.856 152 E CB 0.107 29.752 29.700 -0.091 0.000 0.795 152 E HN 0.609 nan 8.360 nan 0.000 0.504 153 N N -1.632 117.080 118.700 0.019 0.000 2.249 153 N HA 0.046 4.785 4.740 -0.001 0.000 0.239 153 N C 0.598 176.007 175.510 -0.168 0.000 1.185 153 N CA 0.345 53.333 53.050 -0.103 0.000 0.825 153 N CB 0.547 38.840 38.487 -0.323 0.000 1.372 153 N HN 0.105 nan 8.380 nan 0.000 0.472 154 Y N 1.116 121.514 120.300 0.164 0.000 2.512 154 Y HA 0.487 5.036 4.550 -0.001 0.000 0.268 154 Y C 0.954 176.963 175.900 0.182 0.000 1.102 154 Y CA -0.457 57.752 58.100 0.182 0.000 1.261 154 Y CB 0.359 38.885 38.460 0.110 0.000 1.250 154 Y HN -0.107 nan 8.280 nan 0.000 0.506 155 A N 0.958 123.929 122.820 0.253 0.000 2.388 155 A HA 0.532 4.852 4.320 -0.001 0.000 0.257 155 A C -0.899 176.826 177.584 0.235 0.000 1.095 155 A CA -0.041 52.076 52.037 0.134 0.000 0.791 155 A CB -0.420 18.623 19.000 0.072 0.000 1.029 155 A HN 0.391 nan 8.150 nan 0.000 0.489 156 Y N -0.898 119.477 120.300 0.124 0.000 2.638 156 Y HA 0.713 5.263 4.550 -0.001 0.000 0.335 156 Y C -3.370 172.612 175.900 0.137 0.000 1.155 156 Y CA -3.281 54.897 58.100 0.129 0.000 1.046 156 Y CB 0.388 38.910 38.460 0.103 0.000 1.303 156 Y HN 0.386 nan 8.280 nan 0.000 0.460 157 P HA 0.273 nan 4.420 nan 0.000 0.268 157 P C 0.689 178.125 177.300 0.227 0.000 1.204 157 P CA 2.196 65.398 63.100 0.171 0.000 0.768 157 P CB 0.996 32.709 31.700 0.023 0.000 0.842 158 G N 1.364 110.247 108.800 0.138 0.000 2.225 158 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.254 158 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.254 158 G C 0.295 175.290 174.900 0.158 0.000 0.988 158 G CA 0.042 45.278 45.100 0.227 0.000 0.625 158 G HN 0.652 nan 8.290 nan 0.000 0.527 159 V N 1.033 120.814 119.914 -0.223 0.000 2.924 159 V HA 0.604 4.724 4.120 -0.001 0.000 0.305 159 V C 0.366 176.322 176.094 -0.230 0.000 1.073 159 V CA 0.145 62.216 62.300 -0.382 0.000 1.098 159 V CB 1.466 32.762 31.823 -0.877 0.000 1.000 159 V HN 0.815 nan 8.190 nan 0.000 0.484 160 L N 7.488 128.505 121.223 -0.342 0.000 2.318 160 L HA 0.606 4.946 4.340 -0.001 0.000 0.277 160 L C -0.860 175.840 176.870 -0.284 0.000 1.008 160 L CA 0.072 54.662 54.840 -0.417 0.000 0.846 160 L CB 1.063 42.643 42.059 -0.800 0.000 1.220 160 L HN 0.694 nan 8.230 nan 0.000 0.423 161 L N 6.304 127.389 121.223 -0.230 0.000 2.346 161 L HA 0.747 5.087 4.340 -0.001 0.000 0.274 161 L C -0.762 175.951 176.870 -0.261 0.000 1.007 161 L CA -0.620 54.094 54.840 -0.210 0.000 0.818 161 L CB 1.710 43.675 42.059 -0.156 0.000 1.284 161 L HN 0.726 nan 8.230 nan 0.000 0.424 162 I N 1.056 121.435 120.570 -0.317 0.000 2.693 162 I HA 0.981 5.151 4.170 -0.001 0.000 0.303 162 I C -0.228 175.752 176.117 -0.229 0.000 1.025 162 I CA -0.570 60.514 61.300 -0.361 0.000 1.086 162 I CB 2.035 39.640 38.000 -0.658 0.000 1.268 162 I HN 0.608 nan 8.210 nan 0.000 0.440 163 G N 1.493 110.197 108.800 -0.161 0.000 2.667 163 G HA2 0.521 4.481 3.960 -0.001 0.000 0.298 163 G HA3 0.521 4.481 3.960 -0.001 0.000 0.298 163 G C -0.644 174.217 174.900 -0.065 0.000 1.377 163 G CA -0.617 44.425 45.100 -0.097 0.000 0.964 163 G HN 0.797 nan 8.290 nan 0.000 0.493 164 T N -1.070 113.452 114.554 -0.053 0.000 3.579 164 T HA 0.535 4.885 4.350 -0.001 0.000 0.328 164 T C -0.543 174.142 174.700 -0.024 0.000 1.481 164 T CA -0.449 61.632 62.100 -0.032 0.000 1.144 164 T CB 0.081 68.932 68.868 -0.029 0.000 1.205 164 T HN 0.544 nan 8.240 nan 0.000 0.812 165 D N 0.236 120.637 120.400 0.001 0.000 2.687 165 D HA 0.219 4.858 4.640 -0.001 0.000 0.213 165 D C 0.687 176.978 176.300 -0.015 0.000 1.218 165 D CA -0.479 53.541 54.000 0.033 0.000 0.768 165 D CB 0.944 41.831 40.800 0.145 0.000 1.855 165 D HN 0.054 nan 8.370 nan 0.000 0.508 166 S N 0.902 116.536 115.700 -0.109 0.000 2.419 166 S HA -0.160 4.310 4.470 -0.001 0.000 0.235 166 S C 1.107 175.448 174.600 -0.430 0.000 1.019 166 S CA 1.021 59.060 58.200 -0.269 0.000 0.982 166 S CB -0.288 62.677 63.200 -0.391 0.000 0.789 166 S HN 0.556 nan 8.310 nan 0.000 0.490 167 H N 0.338 119.337 119.070 -0.118 0.000 2.526 167 H HA 0.195 4.751 4.556 -0.001 0.000 0.274 167 H C 1.766 176.663 175.328 -0.718 0.000 0.999 167 H CA 0.382 56.226 56.048 -0.340 0.000 1.157 167 H CB -0.030 29.557 29.762 -0.292 0.000 1.407 167 H HN 0.172 nan 8.280 nan 0.000 0.568 168 T N 1.291 115.599 114.554 -0.409 0.000 2.822 168 T HA -0.129 4.220 4.350 -0.001 0.000 0.270 168 T C -0.694 173.906 174.700 -0.166 0.000 1.064 168 T CA 0.971 62.934 62.100 -0.229 0.000 1.131 168 T CB -0.887 67.955 68.868 -0.043 0.000 0.858 168 T HN 0.367 nan 8.240 nan 0.000 0.483 169 P HA -0.139 nan 4.420 nan 0.000 0.219 169 P C 1.165 178.434 177.300 -0.053 0.000 1.145 169 P CA 0.979 64.045 63.100 -0.055 0.000 0.813 169 P CB -0.241 31.447 31.700 -0.019 0.000 0.771 170 N N -0.345 118.282 118.700 -0.123 0.000 2.096 170 N HA -0.200 4.540 4.740 -0.001 0.000 0.195 170 N C 1.880 177.353 175.510 -0.061 0.000 1.017 170 N CA 1.993 54.981 53.050 -0.103 0.000 0.870 170 N CB -1.071 37.329 38.487 -0.145 0.000 1.024 170 N HN 0.081 nan 8.380 nan 0.000 0.434 171 G N -1.033 107.740 108.800 -0.046 0.000 2.499 171 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.221 171 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.221 171 G C 1.423 176.318 174.900 -0.008 0.000 1.109 171 G CA 0.864 45.949 45.100 -0.025 0.000 0.749 171 G HN 0.481 nan 8.290 nan 0.000 0.568 172 G N 0.640 109.451 108.800 0.017 0.000 2.501 172 G HA2 0.070 4.029 3.960 -0.001 0.000 0.220 172 G HA3 0.070 4.029 3.960 -0.001 0.000 0.220 172 G C 1.609 176.570 174.900 0.101 0.000 1.114 172 G CA 1.115 46.264 45.100 0.082 0.000 0.757 172 G HN 0.551 nan 8.290 nan 0.000 0.559 173 G N 0.115 108.907 108.800 -0.013 0.000 2.471 173 G HA2 -0.012 3.947 3.960 -0.001 0.000 0.219 173 G HA3 -0.012 3.947 3.960 -0.001 0.000 0.219 173 G C 1.178 176.013 174.900 -0.108 0.000 1.125 173 G CA 0.026 45.036 45.100 -0.150 0.000 0.775 173 G HN 0.435 nan 8.290 nan 0.000 0.548 174 L N 0.637 121.847 121.223 -0.022 0.000 2.984 174 L HA 0.320 4.659 4.340 -0.001 0.000 0.246 174 L C 1.580 178.526 176.870 0.127 0.000 1.268 174 L CA 0.209 55.084 54.840 0.058 0.000 1.054 174 L CB 0.168 42.274 42.059 0.078 0.000 1.393 174 L HN 0.318 nan 8.230 nan 0.000 0.532 175 G N -0.204 108.680 108.800 0.141 0.000 2.155 175 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.257 175 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.257 175 G C 0.446 175.407 174.900 0.103 0.000 0.983 175 G CA 0.123 45.325 45.100 0.169 0.000 0.676 175 G HN 0.572 nan 8.290 nan 0.000 0.528 176 G N -1.114 107.713 108.800 0.046 0.000 2.509 176 G HA2 0.655 4.614 3.960 -0.001 0.000 0.328 176 G HA3 0.655 4.614 3.960 -0.001 0.000 0.328 176 G C -0.365 174.530 174.900 -0.009 0.000 1.194 176 G CA -0.983 44.106 45.100 -0.018 0.000 0.967 176 G HN 0.313 nan 8.290 nan 0.000 0.488 177 I N 0.616 121.162 120.570 -0.040 0.000 2.307 177 I HA 0.279 4.448 4.170 -0.001 0.000 0.289 177 I C -0.525 175.555 176.117 -0.062 0.000 1.021 177 I CA -0.556 60.729 61.300 -0.026 0.000 1.224 177 I CB 0.584 38.573 38.000 -0.018 0.000 1.376 177 I HN 0.178 nan 8.210 nan 0.000 0.470 178 C N 7.842 127.118 119.300 -0.040 0.000 2.322 178 C HA 0.617 5.076 4.460 -0.001 0.000 0.324 178 C C 0.324 175.288 174.990 -0.044 0.000 1.249 178 C CA -0.742 58.237 59.018 -0.066 0.000 1.453 178 C CB 0.372 28.076 27.740 -0.059 0.000 2.145 178 C HN 0.529 nan 8.230 nan 0.000 0.466 179 I N 2.304 122.838 120.570 -0.060 0.000 2.509 179 I HA 0.565 4.735 4.170 -0.001 0.000 0.293 179 I C 0.789 176.884 176.117 -0.037 0.000 1.020 179 I CA -0.091 61.209 61.300 -0.001 0.000 1.088 179 I CB 1.772 39.849 38.000 0.129 0.000 1.267 179 I HN 0.777 nan 8.210 nan 0.000 0.430 180 G N 4.586 113.381 108.800 -0.009 0.000 2.395 180 G HA2 0.590 4.549 3.960 -0.001 0.000 0.283 180 G HA3 0.590 4.549 3.960 -0.001 0.000 0.283 180 G C -0.476 174.446 174.900 0.037 0.000 1.178 180 G CA -0.269 44.821 45.100 -0.015 0.000 0.837 180 G HN 0.539 nan 8.290 nan 0.000 0.518 181 V N -0.410 119.516 119.914 0.020 0.000 3.181 181 V HA 0.966 5.086 4.120 -0.001 0.000 0.308 181 V C 0.536 176.658 176.094 0.045 0.000 1.214 181 V CA -0.650 61.691 62.300 0.068 0.000 1.053 181 V CB 1.347 33.199 31.823 0.048 0.000 1.069 181 V HN 1.061 nan 8.190 nan 0.000 0.441 182 G N -0.144 108.694 108.800 0.063 0.000 2.476 182 G HA2 0.492 4.451 3.960 -0.001 0.000 0.286 182 G HA3 0.492 4.451 3.960 -0.001 0.000 0.286 182 G C 0.974 175.886 174.900 0.020 0.000 1.177 182 G CA -0.047 45.082 45.100 0.049 0.000 0.870 182 G HN 1.511 nan 8.290 nan 0.000 0.528 183 G N 0.719 109.526 108.800 0.013 0.000 2.505 183 G HA2 -0.111 3.848 3.960 -0.001 0.000 0.220 183 G HA3 -0.111 3.848 3.960 -0.001 0.000 0.220 183 G C 1.970 176.857 174.900 -0.022 0.000 1.145 183 G CA 1.766 46.862 45.100 -0.006 0.000 0.761 183 G HN 1.047 nan 8.290 nan 0.000 0.571 184 A N 0.662 123.462 122.820 -0.034 0.000 2.076 184 A HA -0.053 4.267 4.320 -0.001 0.000 0.220 184 A C 2.034 179.595 177.584 -0.039 0.000 1.160 184 A CA 2.205 54.206 52.037 -0.061 0.000 0.653 184 A CB -0.342 18.585 19.000 -0.122 0.000 0.801 184 A HN 0.345 nan 8.150 nan 0.000 0.455 185 D N -0.170 120.236 120.400 0.011 0.000 2.123 185 D HA 0.066 4.706 4.640 -0.001 0.000 0.200 185 D C 2.283 178.573 176.300 -0.018 0.000 0.976 185 D CA 1.415 55.468 54.000 0.088 0.000 0.831 185 D CB -0.312 40.595 40.800 0.178 0.000 0.974 185 D HN 0.395 nan 8.370 nan 0.000 0.469 186 A N 0.551 123.327 122.820 -0.074 0.000 1.908 186 A HA -0.147 4.173 4.320 -0.001 0.000 0.218 186 A C 2.336 179.873 177.584 -0.079 0.000 1.181 186 A CA 1.853 53.819 52.037 -0.118 0.000 0.627 186 A CB -0.954 17.980 19.000 -0.110 0.000 0.818 186 A HN 0.262 nan 8.150 nan 0.000 0.445 187 V N -1.503 118.394 119.914 -0.028 0.000 2.970 187 V HA -0.126 3.993 4.120 -0.001 0.000 0.260 187 V C 1.480 177.614 176.094 0.066 0.000 1.100 187 V CA 2.338 64.661 62.300 0.038 0.000 1.122 187 V CB -0.662 31.219 31.823 0.097 0.000 0.721 187 V HN 0.414 nan 8.190 nan 0.000 0.483 188 D N 0.913 121.343 120.400 0.050 0.000 2.103 188 D HA -0.082 4.557 4.640 -0.001 0.000 0.199 188 D C 2.294 178.647 176.300 0.089 0.000 0.978 188 D CA 1.821 55.876 54.000 0.092 0.000 0.829 188 D CB -0.203 40.690 40.800 0.155 0.000 0.981 188 D HN 0.484 nan 8.370 nan 0.000 0.464 189 V N 1.273 121.209 119.914 0.038 0.000 2.358 189 V HA -0.223 3.896 4.120 -0.001 0.000 0.246 189 V C 2.567 178.657 176.094 -0.006 0.000 1.047 189 V CA 1.275 63.579 62.300 0.008 0.000 1.035 189 V CB -0.431 31.335 31.823 -0.095 0.000 0.658 189 V HN 0.192 nan 8.190 nan 0.000 0.452 190 M N 0.081 119.649 119.600 -0.054 0.000 2.159 190 M HA -0.139 4.341 4.480 -0.001 0.000 0.263 190 M C 2.262 178.609 176.300 0.079 0.000 1.063 190 M CA 2.067 57.298 55.300 -0.115 0.000 1.110 190 M CB -0.563 31.811 32.600 -0.377 0.000 1.374 190 M HN 0.402 nan 8.290 nan 0.000 0.411 191 A N -0.297 122.646 122.820 0.204 0.000 2.168 191 A HA 0.238 4.557 4.320 -0.001 0.000 0.215 191 A C 1.743 179.416 177.584 0.149 0.000 1.152 191 A CA 1.169 53.359 52.037 0.255 0.000 0.716 191 A CB -0.765 18.343 19.000 0.179 0.000 0.794 191 A HN 0.688 nan 8.150 nan 0.000 0.465 192 G N -0.763 108.104 108.800 0.112 0.000 2.141 192 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.231 192 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.231 192 G C 0.212 175.170 174.900 0.096 0.000 0.984 192 G CA 0.169 45.326 45.100 0.095 0.000 0.660 192 G HN 1.310 nan 8.290 nan 0.000 0.525 193 I N -1.591 119.043 120.570 0.107 0.000 2.566 193 I HA 0.751 4.921 4.170 -0.001 0.000 0.303 193 I C -2.033 174.170 176.117 0.144 0.000 0.983 193 I CA -3.036 58.332 61.300 0.114 0.000 1.235 193 I CB 1.136 39.204 38.000 0.113 0.000 1.386 193 I HN -0.144 nan 8.210 nan 0.000 0.494 194 P HA -0.079 nan 4.420 nan 0.000 0.265 194 P C -1.438 176.012 177.300 0.250 0.000 1.187 194 P CA 0.269 63.475 63.100 0.177 0.000 0.766 194 P CB 0.170 31.947 31.700 0.127 0.000 0.820 195 W N 3.794 125.141 121.300 0.078 0.000 2.351 195 W HA 0.275 4.935 4.660 -0.001 0.000 0.311 195 W C -0.419 176.159 176.519 0.098 0.000 1.168 195 W CA -0.440 56.955 57.345 0.082 0.000 1.200 195 W CB 0.641 30.137 29.460 0.059 0.000 1.221 195 W HN 0.350 nan 8.180 nan 0.000 0.519 196 E N 4.823 124.765 120.200 -0.430 0.000 2.216 196 E HA 0.424 4.774 4.350 -0.001 0.000 0.279 196 E C -1.500 174.647 176.600 -0.755 0.000 0.997 196 E CA -1.074 55.062 56.400 -0.440 0.000 0.817 196 E CB 1.806 31.384 29.700 -0.204 0.000 1.096 196 E HN 0.382 nan 8.360 nan 0.000 0.393 197 L N 3.324 124.229 121.223 -0.530 0.000 2.439 197 L HA 0.299 4.638 4.340 -0.001 0.000 0.270 197 L C -0.946 175.830 176.870 -0.158 0.000 0.972 197 L CA -0.914 53.663 54.840 -0.439 0.000 0.836 197 L CB 1.456 43.147 42.059 -0.613 0.000 1.255 197 L HN 0.219 nan 8.230 nan 0.000 0.404 198 K N 3.981 124.275 120.400 -0.177 0.000 2.491 198 K HA 0.004 4.324 4.320 -0.001 0.000 0.279 198 K C -0.301 176.178 176.600 -0.202 0.000 1.026 198 K CA 0.393 56.434 56.287 -0.410 0.000 1.070 198 K CB -0.149 32.111 32.500 -0.400 0.000 0.887 198 K HN 0.727 nan 8.250 nan 0.000 0.481 199 C N 8.675 127.873 119.300 -0.170 0.000 2.519 199 C HA 0.154 4.613 4.460 -0.001 0.000 0.402 199 C C -2.053 172.921 174.990 -0.027 0.000 1.475 199 C CA -1.550 57.446 59.018 -0.036 0.000 1.504 199 C CB -0.916 26.817 27.740 -0.011 0.000 2.454 199 C HN 0.708 nan 8.230 nan 0.000 0.615 200 P HA 0.241 nan 4.420 nan 0.000 0.272 200 P C -0.679 176.630 177.300 0.014 0.000 1.223 200 P CA -0.123 62.977 63.100 0.000 0.000 0.784 200 P CB 0.583 32.284 31.700 0.003 0.000 0.923 201 K N 1.146 121.550 120.400 0.007 0.000 2.107 201 K HA 0.457 4.776 4.320 -0.001 0.000 0.251 201 K C -1.015 175.593 176.600 0.012 0.000 1.012 201 K CA -0.412 55.885 56.287 0.016 0.000 0.920 201 K CB 0.489 32.995 32.500 0.008 0.000 1.033 201 K HN 0.124 nan 8.250 nan 0.000 0.478 202 V N 4.112 124.039 119.914 0.022 0.000 2.407 202 V HA 0.418 4.537 4.120 -0.001 0.000 0.291 202 V C -0.332 175.773 176.094 0.019 0.000 1.018 202 V CA -0.757 61.566 62.300 0.038 0.000 0.842 202 V CB 1.248 33.133 31.823 0.104 0.000 0.996 202 V HN 0.591 nan 8.190 nan 0.000 0.426 203 I N 3.802 124.324 120.570 -0.079 0.000 2.331 203 I HA 0.558 4.728 4.170 -0.001 0.000 0.292 203 I C 0.948 176.836 176.117 -0.383 0.000 0.998 203 I CA -0.010 61.187 61.300 -0.170 0.000 1.267 203 I CB 1.530 39.434 38.000 -0.159 0.000 1.386 203 I HN 0.729 nan 8.210 nan 0.000 0.476 204 G N 5.987 114.443 108.800 -0.573 0.000 2.335 204 G HA2 0.523 4.482 3.960 -0.001 0.000 0.314 204 G HA3 0.523 4.482 3.960 -0.001 0.000 0.314 204 G C -0.729 173.886 174.900 -0.475 0.000 1.129 204 G CA -0.283 44.226 45.100 -0.985 0.000 0.912 204 G HN 0.354 nan 8.290 nan 0.000 0.443 205 V N 3.192 122.794 119.914 -0.519 0.000 2.370 205 V HA 0.372 4.492 4.120 -0.001 0.000 0.279 205 V C 0.331 176.121 176.094 -0.507 0.000 1.029 205 V CA -0.742 61.282 62.300 -0.460 0.000 0.870 205 V CB 1.355 32.791 31.823 -0.644 0.000 0.984 205 V HN 0.750 nan 8.190 nan 0.000 0.451 206 K N 5.809 125.919 120.400 -0.483 0.000 2.185 206 K HA 0.672 4.991 4.320 -0.001 0.000 0.269 206 K C -1.361 175.062 176.600 -0.295 0.000 0.987 206 K CA -0.614 55.274 56.287 -0.666 0.000 0.865 206 K CB 1.164 33.376 32.500 -0.479 0.000 1.090 206 K HN 0.601 nan 8.250 nan 0.000 0.450 207 L N 3.126 124.216 121.223 -0.222 0.000 2.341 207 L HA 0.436 4.776 4.340 -0.001 0.000 0.278 207 L C -0.325 176.515 176.870 -0.050 0.000 1.005 207 L CA -0.761 54.035 54.840 -0.073 0.000 0.818 207 L CB 2.153 44.219 42.059 0.011 0.000 1.259 207 L HN 0.711 nan 8.230 nan 0.000 0.418 208 T N 1.347 115.887 114.554 -0.024 0.000 2.900 208 T HA 0.756 5.106 4.350 -0.001 0.000 0.295 208 T C 0.006 174.710 174.700 0.007 0.000 1.044 208 T CA 0.408 62.502 62.100 -0.009 0.000 0.995 208 T CB 2.064 70.921 68.868 -0.019 0.000 1.072 208 T HN 1.024 nan 8.240 nan 0.000 0.473 209 G N 2.346 111.155 108.800 0.014 0.000 2.632 209 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.224 209 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.224 209 G C -0.588 174.324 174.900 0.021 0.000 1.341 209 G CA -0.283 44.827 45.100 0.017 0.000 0.880 209 G HN 0.983 nan 8.290 nan 0.000 0.566 210 S N -1.159 114.554 115.700 0.021 0.000 2.595 210 S HA 0.709 5.179 4.470 -0.001 0.000 0.281 210 S C -0.028 174.584 174.600 0.019 0.000 1.117 210 S CA -0.754 57.459 58.200 0.020 0.000 0.873 210 S CB 1.753 64.965 63.200 0.019 0.000 1.108 210 S HN 0.762 nan 8.310 nan 0.000 0.477 211 L N 1.902 123.134 121.223 0.014 0.000 2.426 211 L HA 0.506 4.845 4.340 -0.001 0.000 0.271 211 L C 0.148 177.023 176.870 0.008 0.000 1.169 211 L CA 0.218 55.065 54.840 0.012 0.000 0.836 211 L CB 0.990 43.049 42.059 0.001 0.000 1.112 211 L HN 0.519 nan 8.230 nan 0.000 0.465 212 S N 0.699 116.408 115.700 0.016 0.000 2.536 212 S HA 0.765 5.235 4.470 -0.001 0.000 0.271 212 S C 0.194 174.807 174.600 0.022 0.000 1.134 212 S CA 0.118 58.325 58.200 0.011 0.000 0.897 212 S CB 1.889 65.101 63.200 0.020 0.000 1.094 212 S HN 1.106 nan 8.310 nan 0.000 0.473 213 G N 2.253 111.046 108.800 -0.013 0.000 2.514 213 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.265 213 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.265 213 G C 0.290 175.131 174.900 -0.099 0.000 1.150 213 G CA 0.586 45.681 45.100 -0.009 0.000 0.959 213 G HN 0.694 nan 8.290 nan 0.000 0.556 214 W N 1.930 123.213 121.300 -0.028 0.000 2.678 214 W HA 0.312 4.971 4.660 -0.001 0.000 0.256 214 W C 1.811 178.320 176.519 -0.016 0.000 1.280 214 W CA 1.123 58.450 57.345 -0.030 0.000 1.345 214 W CB -0.359 29.070 29.460 -0.051 0.000 1.118 214 W HN 0.490 nan 8.180 nan 0.000 0.629 215 T N 1.684 116.332 114.554 0.157 0.000 2.829 215 T HA 0.198 4.548 4.350 -0.001 0.000 0.293 215 T C 0.521 175.250 174.700 0.049 0.000 0.970 215 T CA 0.124 62.287 62.100 0.105 0.000 1.168 215 T CB 0.324 69.244 68.868 0.087 0.000 0.911 215 T HN -0.017 nan 8.240 nan 0.000 0.535 216 S N 3.179 118.907 115.700 0.047 0.000 2.726 216 S HA 0.556 5.026 4.470 -0.001 0.000 0.308 216 S C -2.053 172.547 174.600 0.001 0.000 1.115 216 S CA -1.872 56.333 58.200 0.009 0.000 0.965 216 S CB 1.475 64.678 63.200 0.005 0.000 1.145 216 S HN 0.234 nan 8.310 nan 0.000 0.532 217 P HA -0.267 nan 4.420 nan 0.000 0.225 217 P C 1.397 178.677 177.300 -0.033 0.000 1.154 217 P CA 1.801 64.871 63.100 -0.049 0.000 0.933 217 P CB -0.032 31.613 31.700 -0.091 0.000 0.790 218 K N -0.108 120.282 120.400 -0.017 0.000 2.089 218 K HA -0.211 4.109 4.320 -0.001 0.000 0.210 218 K C 1.711 178.316 176.600 0.009 0.000 1.048 218 K CA 1.986 58.273 56.287 -0.000 0.000 0.926 218 K CB -1.279 31.232 32.500 0.019 0.000 0.714 218 K HN 0.113 nan 8.250 nan 0.000 0.448 219 D N -0.392 120.023 120.400 0.025 0.000 2.149 219 D HA -0.146 4.494 4.640 -0.001 0.000 0.198 219 D C 1.881 178.150 176.300 -0.052 0.000 0.990 219 D CA 1.480 55.493 54.000 0.022 0.000 0.839 219 D CB -0.085 40.766 40.800 0.085 0.000 0.948 219 D HN 0.092 nan 8.370 nan 0.000 0.460 220 V N 1.145 121.045 119.914 -0.022 0.000 2.343 220 V HA -0.212 3.907 4.120 -0.001 0.000 0.247 220 V C 2.386 178.474 176.094 -0.009 0.000 1.051 220 V CA 1.131 63.423 62.300 -0.014 0.000 1.036 220 V CB -0.274 31.562 31.823 0.022 0.000 0.654 220 V HN 0.128 nan 8.190 nan 0.000 0.451 221 I N -0.876 119.694 120.570 0.001 0.000 2.876 221 I HA -0.001 4.168 4.170 -0.001 0.000 0.264 221 I C 1.889 178.004 176.117 -0.004 0.000 1.204 221 I CA 1.199 62.517 61.300 0.031 0.000 1.485 221 I CB -0.162 37.864 38.000 0.043 0.000 1.103 221 I HN 0.141 nan 8.210 nan 0.000 0.446 222 L N 0.088 121.287 121.223 -0.039 0.000 2.093 222 L HA -0.159 4.181 4.340 -0.001 0.000 0.208 222 L C 2.444 179.222 176.870 -0.154 0.000 1.085 222 L CA 1.280 56.086 54.840 -0.058 0.000 0.755 222 L CB -0.726 41.324 42.059 -0.016 0.000 0.904 222 L HN 0.187 nan 8.230 nan 0.000 0.435 223 K N 0.527 120.767 120.400 -0.266 0.000 1.984 223 K HA -0.102 4.217 4.320 -0.001 0.000 0.209 223 K C 1.878 178.406 176.600 -0.120 0.000 1.046 223 K CA 1.489 57.593 56.287 -0.304 0.000 0.934 223 K CB -0.484 31.832 32.500 -0.308 0.000 0.717 223 K HN -0.019 nan 8.250 nan 0.000 0.438 224 V N 1.361 121.242 119.914 -0.055 0.000 2.392 224 V HA -0.256 3.864 4.120 -0.001 0.000 0.249 224 V C 2.384 178.473 176.094 -0.008 0.000 1.059 224 V CA 2.003 64.295 62.300 -0.013 0.000 1.051 224 V CB -1.017 30.832 31.823 0.044 0.000 0.658 224 V HN 0.510 nan 8.190 nan 0.000 0.455 225 A N 0.606 123.425 122.820 -0.003 0.000 1.898 225 A HA -0.046 4.273 4.320 -0.001 0.000 0.216 225 A C 2.442 180.024 177.584 -0.004 0.000 1.181 225 A CA 1.823 53.867 52.037 0.012 0.000 0.620 225 A CB -1.187 17.826 19.000 0.022 0.000 0.819 225 A HN 0.516 nan 8.150 nan 0.000 0.442 226 G N -0.081 108.704 108.800 -0.025 0.000 2.422 226 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.218 226 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.218 226 G C 1.514 176.403 174.900 -0.019 0.000 1.146 226 G CA 1.059 46.143 45.100 -0.027 0.000 0.769 226 G HN 0.472 nan 8.290 nan 0.000 0.547 227 I N -0.026 120.530 120.570 -0.023 0.000 2.179 227 I HA -0.108 4.062 4.170 -0.001 0.000 0.242 227 I C 2.583 178.693 176.117 -0.012 0.000 1.088 227 I CA 0.909 62.198 61.300 -0.018 0.000 1.357 227 I CB -0.109 37.876 38.000 -0.026 0.000 1.051 227 I HN 0.132 nan 8.210 nan 0.000 0.409 228 L N -0.219 120.998 121.223 -0.010 0.000 2.307 228 L HA 0.044 4.384 4.340 -0.001 0.000 0.211 228 L C 0.853 177.728 176.870 0.009 0.000 1.099 228 L CA 0.539 55.377 54.840 -0.003 0.000 0.816 228 L CB -0.308 41.747 42.059 -0.006 0.000 0.952 228 L HN 0.536 nan 8.230 nan 0.000 0.455 229 T N -4.355 110.208 114.554 0.014 0.000 0.541 229 T HA -0.218 4.131 4.350 -0.001 0.000 0.774 229 T C 0.893 175.621 174.700 0.046 0.000 0.992 229 T CA 0.192 62.307 62.100 0.025 0.000 4.077 229 T CB -1.008 67.874 68.868 0.023 0.000 2.303 229 T HN 0.150 nan 8.240 nan 0.000 0.398 230 V N -0.406 119.550 119.914 0.069 0.000 2.439 230 V HA -0.193 3.926 4.120 -0.001 0.000 0.253 230 V C 2.641 178.787 176.094 0.087 0.000 1.074 230 V CA 2.199 64.564 62.300 0.108 0.000 1.076 230 V CB -1.174 30.748 31.823 0.165 0.000 0.664 230 V HN 0.941 nan 8.190 nan 0.000 0.461 231 K N 0.984 121.424 120.400 0.066 0.000 2.296 231 K HA 0.136 4.456 4.320 -0.001 0.000 0.200 231 K C 2.311 178.935 176.600 0.040 0.000 1.048 231 K CA 0.837 57.156 56.287 0.054 0.000 0.966 231 K CB -0.480 32.046 32.500 0.043 0.000 0.754 231 K HN 0.610 nan 8.250 nan 0.000 0.466 232 G N 1.358 110.178 108.800 0.034 0.000 2.586 232 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.218 232 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.218 232 G C 1.346 176.255 174.900 0.015 0.000 1.216 232 G CA 1.156 46.268 45.100 0.019 0.000 0.786 232 G HN 0.430 nan 8.290 nan 0.000 0.583 233 G N -0.190 108.622 108.800 0.021 0.000 3.124 233 G HA2 0.289 4.248 3.960 -0.001 0.000 0.212 233 G HA3 0.289 4.248 3.960 -0.001 0.000 0.212 233 G C 0.570 175.483 174.900 0.021 0.000 1.181 233 G CA 0.389 45.497 45.100 0.013 0.000 0.803 233 G HN 0.365 nan 8.290 nan 0.000 0.529 234 T N 0.768 115.341 114.554 0.031 0.000 2.902 234 T HA 0.386 4.735 4.350 -0.001 0.000 0.301 234 T C 1.542 176.258 174.700 0.027 0.000 1.012 234 T CA 1.014 63.137 62.100 0.038 0.000 1.151 234 T CB 0.943 69.842 68.868 0.051 0.000 0.946 234 T HN 0.869 nan 8.240 nan 0.000 0.542 235 G N 1.508 110.324 108.800 0.026 0.000 2.162 235 G HA2 -0.018 3.942 3.960 -0.001 0.000 0.260 235 G HA3 -0.018 3.942 3.960 -0.001 0.000 0.260 235 G C 0.135 175.037 174.900 0.004 0.000 0.976 235 G CA 0.076 45.183 45.100 0.011 0.000 0.655 235 G HN 1.190 nan 8.290 nan 0.000 0.533 236 A N -0.872 121.952 122.820 0.006 0.000 2.435 236 A HA 0.890 5.210 4.320 -0.001 0.000 0.296 236 A C -0.316 177.267 177.584 -0.001 0.000 1.147 236 A CA -0.743 51.293 52.037 -0.001 0.000 0.775 236 A CB 1.322 20.315 19.000 -0.013 0.000 1.340 236 A HN 0.649 nan 8.150 nan 0.000 0.427 237 I N 1.082 121.647 120.570 -0.008 0.000 2.377 237 I HA 0.321 4.490 4.170 -0.001 0.000 0.293 237 I C -0.649 175.440 176.117 -0.046 0.000 0.987 237 I CA -0.813 60.483 61.300 -0.007 0.000 1.185 237 I CB 1.876 39.877 38.000 0.001 0.000 1.341 237 I HN 0.309 nan 8.210 nan 0.000 0.455 238 V N 5.963 125.841 119.914 -0.060 0.000 2.461 238 V HA 0.182 4.302 4.120 -0.001 0.000 0.275 238 V C 0.149 176.100 176.094 -0.239 0.000 1.047 238 V CA -0.315 61.869 62.300 -0.193 0.000 0.955 238 V CB 1.153 32.869 31.823 -0.178 0.000 0.988 238 V HN 0.710 nan 8.190 nan 0.000 0.471 239 E N 3.701 123.682 120.200 -0.365 0.000 2.155 239 E HA 0.417 4.766 4.350 -0.001 0.000 0.264 239 E C -1.681 174.653 176.600 -0.443 0.000 0.886 239 E CA -0.628 55.611 56.400 -0.268 0.000 0.752 239 E CB 1.069 30.716 29.700 -0.089 0.000 1.133 239 E HN 0.637 nan 8.360 nan 0.000 0.414 240 Y N 4.377 124.437 120.300 -0.399 0.000 2.308 240 Y HA 0.307 4.856 4.550 -0.001 0.000 0.329 240 Y C 0.603 176.321 175.900 -0.304 0.000 1.111 240 Y CA -0.093 57.666 58.100 -0.568 0.000 1.179 240 Y CB 0.927 38.534 38.460 -1.422 0.000 1.201 240 Y HN 0.517 nan 8.280 nan 0.000 0.483 241 H N 0.152 119.118 119.070 -0.172 0.000 2.948 241 H HA 0.807 5.362 4.556 -0.001 0.000 0.315 241 H C -0.330 174.993 175.328 -0.008 0.000 1.360 241 H CA -1.214 54.805 56.048 -0.048 0.000 1.125 241 H CB 1.484 31.242 29.762 -0.007 0.000 1.844 241 H HN 0.889 nan 8.280 nan 0.000 0.529 242 G N 0.123 108.924 108.800 0.002 0.000 2.354 242 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.582 242 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.582 242 G C -2.299 172.622 174.900 0.036 0.000 1.316 242 G CA -0.279 44.798 45.100 -0.038 0.000 0.995 242 G HN 0.563 nan 8.290 nan 0.000 0.573 243 P HA -0.002 nan 4.420 nan 0.000 0.217 243 P C 1.908 179.237 177.300 0.049 0.000 1.151 243 P CA 1.939 65.067 63.100 0.046 0.000 0.828 243 P CB -0.261 31.461 31.700 0.036 0.000 0.788 244 G N 0.486 109.305 108.800 0.033 0.000 2.498 244 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.219 244 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.219 244 G C 1.686 176.629 174.900 0.073 0.000 1.119 244 G CA 0.339 45.465 45.100 0.043 0.000 0.766 244 G HN 0.166 nan 8.290 nan 0.000 0.552 245 V N 1.129 121.106 119.914 0.105 0.000 2.324 245 V HA -0.183 3.936 4.120 -0.001 0.000 0.250 245 V C 2.300 178.444 176.094 0.083 0.000 1.060 245 V CA 2.138 64.548 62.300 0.182 0.000 1.042 245 V CB -0.262 31.701 31.823 0.233 0.000 0.650 245 V HN 0.353 nan 8.190 nan 0.000 0.450 246 D N -0.300 120.134 120.400 0.056 0.000 2.378 246 D HA -0.052 4.588 4.640 -0.001 0.000 0.227 246 D C 2.044 178.344 176.300 0.000 0.000 1.012 246 D CA 1.177 55.175 54.000 -0.003 0.000 0.905 246 D CB 0.153 41.039 40.800 0.144 0.000 0.895 246 D HN 0.604 nan 8.370 nan 0.000 0.532 247 S N -0.389 115.321 115.700 0.017 0.000 2.575 247 S HA 0.119 4.588 4.470 -0.001 0.000 0.215 247 S C 0.675 175.258 174.600 -0.028 0.000 0.966 247 S CA -0.405 57.801 58.200 0.010 0.000 0.911 247 S CB 0.112 63.325 63.200 0.022 0.000 0.780 247 S HN 0.048 nan 8.310 nan 0.000 0.514 248 I N 2.445 122.975 120.570 -0.067 0.000 2.530 248 I HA 0.365 4.534 4.170 -0.001 0.000 0.297 248 I C 0.431 176.445 176.117 -0.172 0.000 1.011 248 I CA -0.941 60.288 61.300 -0.118 0.000 1.107 248 I CB 2.294 40.203 38.000 -0.151 0.000 1.285 248 I HN 0.227 nan 8.210 nan 0.000 0.436 249 S N 2.639 118.246 115.700 -0.156 0.000 2.608 249 S HA 0.026 4.496 4.470 -0.001 0.000 0.261 249 S C 1.047 175.509 174.600 -0.231 0.000 1.314 249 S CA -0.716 57.397 58.200 -0.145 0.000 0.992 249 S CB 1.236 64.391 63.200 -0.076 0.000 0.935 249 S HN 0.885 nan 8.310 nan 0.000 0.564 250 C N 1.441 120.610 119.300 -0.218 0.000 2.446 250 C HA -0.070 4.389 4.460 -0.001 0.000 0.277 250 C C 2.999 177.750 174.990 -0.398 0.000 1.275 250 C CA 1.587 60.408 59.018 -0.328 0.000 1.727 250 C CB -2.119 25.430 27.740 -0.317 0.000 2.010 250 C HN 1.053 nan 8.230 nan 0.000 0.486 251 T N -1.625 112.727 114.554 -0.337 0.000 2.951 251 T HA 0.079 4.428 4.350 -0.001 0.000 0.268 251 T C 1.930 176.502 174.700 -0.214 0.000 1.073 251 T CA 1.545 63.482 62.100 -0.270 0.000 1.134 251 T CB -0.825 67.965 68.868 -0.130 0.000 0.884 251 T HN 0.594 nan 8.240 nan 0.000 0.479 252 G N 1.616 110.289 108.800 -0.212 0.000 2.418 252 G HA2 -0.095 3.864 3.960 -0.001 0.000 0.217 252 G HA3 -0.095 3.864 3.960 -0.001 0.000 0.217 252 G C 1.612 176.312 174.900 -0.332 0.000 1.158 252 G CA 0.798 45.769 45.100 -0.215 0.000 0.771 252 G HN 0.497 nan 8.290 nan 0.000 0.545 253 M N 0.903 120.179 119.600 -0.540 0.000 2.117 253 M HA -0.003 4.477 4.480 -0.001 0.000 0.262 253 M C 3.042 179.056 176.300 -0.477 0.000 1.065 253 M CA 1.401 56.149 55.300 -0.920 0.000 1.114 253 M CB -0.307 31.467 32.600 -1.376 0.000 1.361 253 M HN 0.295 nan 8.290 nan 0.000 0.408 254 A N 0.081 122.703 122.820 -0.330 0.000 1.902 254 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 254 A C 2.217 179.717 177.584 -0.140 0.000 1.181 254 A CA 2.239 54.161 52.037 -0.192 0.000 0.623 254 A CB -1.199 17.688 19.000 -0.189 0.000 0.818 254 A HN 0.455 nan 8.150 nan 0.000 0.443 255 T N 0.370 114.838 114.554 -0.144 0.000 2.699 255 T HA -0.158 4.192 4.350 -0.001 0.000 0.268 255 T C 1.774 176.427 174.700 -0.078 0.000 1.036 255 T CA 1.733 63.775 62.100 -0.096 0.000 1.147 255 T CB -0.425 68.389 68.868 -0.090 0.000 0.862 255 T HN 0.452 nan 8.240 nan 0.000 0.446 256 I N 0.433 120.936 120.570 -0.113 0.000 2.202 256 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 256 I C 2.676 178.779 176.117 -0.023 0.000 1.091 256 I CA 0.835 62.079 61.300 -0.093 0.000 1.368 256 I CB -0.390 37.492 38.000 -0.197 0.000 1.058 256 I HN 0.331 nan 8.210 nan 0.000 0.410 257 C N 0.502 119.806 119.300 0.005 0.000 2.429 257 C HA -0.156 4.304 4.460 -0.001 0.000 0.277 257 C C 2.720 177.743 174.990 0.054 0.000 1.262 257 C CA 0.897 59.965 59.018 0.083 0.000 1.733 257 C CB -1.473 26.324 27.740 0.094 0.000 2.010 257 C HN 0.593 nan 8.230 nan 0.000 0.483 258 N N 1.142 119.847 118.700 0.008 0.000 2.021 258 N HA -0.198 4.541 4.740 -0.001 0.000 0.198 258 N C 1.669 177.250 175.510 0.119 0.000 1.041 258 N CA 1.939 55.001 53.050 0.019 0.000 0.862 258 N CB -0.514 37.944 38.487 -0.049 0.000 1.048 258 N HN 0.515 nan 8.380 nan 0.000 0.427 259 M N 0.043 119.688 119.600 0.076 0.000 2.557 259 M HA 0.013 4.492 4.480 -0.001 0.000 0.259 259 M C 1.653 178.027 176.300 0.124 0.000 1.086 259 M CA 0.856 56.220 55.300 0.107 0.000 1.096 259 M CB -0.190 32.447 32.600 0.062 0.000 1.424 259 M HN 0.241 nan 8.290 nan 0.000 0.488 260 G N -0.310 108.561 108.800 0.117 0.000 2.498 260 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.219 260 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.219 260 G C 1.439 176.394 174.900 0.093 0.000 1.119 260 G CA 0.802 45.973 45.100 0.118 0.000 0.766 260 G HN 0.596 nan 8.290 nan 0.000 0.552 261 A N 0.678 123.554 122.820 0.093 0.000 1.978 261 A HA -0.014 4.305 4.320 -0.001 0.000 0.220 261 A C 2.139 179.760 177.584 0.061 0.000 1.170 261 A CA 1.951 54.008 52.037 0.034 0.000 0.636 261 A CB -0.232 18.725 19.000 -0.072 0.000 0.810 261 A HN 0.316 nan 8.150 nan 0.000 0.448 262 E N -0.380 119.900 120.200 0.134 0.000 2.418 262 E HA -0.042 4.307 4.350 -0.001 0.000 0.197 262 E C 1.450 178.140 176.600 0.149 0.000 1.026 262 E CA 0.935 57.441 56.400 0.177 0.000 0.862 262 E CB -0.237 29.593 29.700 0.216 0.000 0.799 262 E HN 0.872 nan 8.360 nan 0.000 0.518 263 I N -5.184 115.449 120.570 0.104 0.000 3.941 263 I HA 0.435 4.604 4.170 -0.001 0.000 0.335 263 I C 1.116 177.274 176.117 0.068 0.000 1.402 263 I CA 0.350 61.700 61.300 0.085 0.000 1.112 263 I CB 0.352 38.389 38.000 0.062 0.000 1.043 263 I HN 0.043 nan 8.210 nan 0.000 0.395 264 G N 1.618 110.456 108.800 0.063 0.000 2.143 264 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.249 264 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.249 264 G C 0.439 175.364 174.900 0.042 0.000 0.981 264 G CA -0.003 45.128 45.100 0.051 0.000 0.665 264 G HN 0.930 nan 8.290 nan 0.000 0.528 265 A N -0.243 122.600 122.820 0.038 0.000 2.462 265 A HA 0.648 4.968 4.320 -0.001 0.000 0.243 265 A C 1.626 179.230 177.584 0.033 0.000 1.076 265 A CA 1.359 53.415 52.037 0.031 0.000 0.773 265 A CB 0.285 19.305 19.000 0.033 0.000 1.010 265 A HN 0.721 nan 8.150 nan 0.000 0.493 266 T N 0.518 115.093 114.554 0.035 0.000 2.833 266 T HA 0.081 4.431 4.350 -0.001 0.000 0.269 266 T C 0.884 175.613 174.700 0.049 0.000 1.054 266 T CA 1.997 64.126 62.100 0.049 0.000 1.135 266 T CB -0.191 68.707 68.868 0.050 0.000 0.869 266 T HN 0.968 nan 8.240 nan 0.000 0.466 267 T N -0.823 113.756 114.554 0.042 0.000 2.652 267 T HA 0.449 4.798 4.350 -0.001 0.000 0.303 267 T C -2.018 172.718 174.700 0.061 0.000 1.738 267 T CA -0.707 61.420 62.100 0.044 0.000 0.969 267 T CB 1.164 70.058 68.868 0.043 0.000 1.778 267 T HN 0.034 nan 8.240 nan 0.000 0.494 268 S N 0.085 115.840 115.700 0.091 0.000 2.569 268 S HA 0.899 5.369 4.470 -0.001 0.000 0.280 268 S C -1.361 173.344 174.600 0.176 0.000 1.111 268 S CA -0.683 57.608 58.200 0.153 0.000 0.887 268 S CB 1.909 65.268 63.200 0.265 0.000 1.095 268 S HN 0.889 nan 8.310 nan 0.000 0.476 269 V N 1.863 121.901 119.914 0.205 0.000 3.147 269 V HA 0.750 4.870 4.120 -0.001 0.000 0.306 269 V C -2.175 174.062 176.094 0.238 0.000 1.209 269 V CA -0.705 61.728 62.300 0.222 0.000 1.023 269 V CB 2.024 33.925 31.823 0.131 0.000 1.059 269 V HN 0.860 nan 8.190 nan 0.000 0.435 270 F N 4.432 124.457 119.950 0.126 0.000 2.561 270 F HA 0.742 5.268 4.527 -0.001 0.000 0.321 270 F C -2.188 173.684 175.800 0.121 0.000 1.065 270 F CA -2.006 56.069 58.000 0.125 0.000 0.934 270 F CB 2.750 41.777 39.000 0.045 0.000 1.215 270 F HN 0.347 nan 8.300 nan 0.000 0.471 271 P HA 0.053 nan 4.420 nan 0.000 0.284 271 P C -1.020 176.434 177.300 0.256 0.000 1.253 271 P CA -0.227 63.014 63.100 0.235 0.000 0.800 271 P CB 0.606 32.418 31.700 0.186 0.000 0.961 272 Y N 4.429 124.805 120.300 0.128 0.000 2.904 272 Y HA 0.026 4.575 4.550 -0.001 0.000 0.336 272 Y C 0.464 176.431 175.900 0.112 0.000 1.263 272 Y CA 1.219 59.389 58.100 0.116 0.000 1.547 272 Y CB -0.143 38.382 38.460 0.109 0.000 1.272 272 Y HN 0.580 nan 8.280 nan 0.000 0.596 273 N N 1.993 120.404 118.700 -0.481 0.000 3.277 273 N HA 0.069 4.808 4.740 -0.001 0.000 0.278 273 N C 0.459 175.722 175.510 -0.411 0.000 1.544 273 N CA -0.070 52.749 53.050 -0.384 0.000 0.869 273 N CB -0.056 38.358 38.487 -0.121 0.000 1.584 273 N HN 0.604 nan 8.380 nan 0.000 0.564 274 H N -0.813 118.122 119.070 -0.224 0.000 2.456 274 H HA 0.137 4.693 4.556 -0.001 0.000 0.296 274 H C 0.594 175.878 175.328 -0.074 0.000 1.079 274 H CA 0.869 56.834 56.048 -0.138 0.000 1.322 274 H CB 0.046 29.767 29.762 -0.070 0.000 1.388 274 H HN 0.335 nan 8.280 nan 0.000 0.538 275 R N 0.627 120.892 120.500 -0.392 0.000 2.073 275 R HA 0.039 4.378 4.340 -0.001 0.000 0.229 275 R C 2.586 178.850 176.300 -0.060 0.000 1.120 275 R CA 0.995 56.951 56.100 -0.239 0.000 0.967 275 R CB -0.470 29.639 30.300 -0.318 0.000 0.862 275 R HN 0.430 nan 8.270 nan 0.000 0.436 276 M N 0.476 120.040 119.600 -0.061 0.000 2.175 276 M HA -0.095 4.385 4.480 -0.001 0.000 0.264 276 M C 2.316 178.744 176.300 0.213 0.000 1.063 276 M CA 1.350 56.707 55.300 0.096 0.000 1.119 276 M CB -0.257 32.448 32.600 0.175 0.000 1.377 276 M HN -0.011 nan 8.290 nan 0.000 0.415 277 K N 1.034 121.506 120.400 0.120 0.000 2.026 277 K HA -0.203 4.116 4.320 -0.001 0.000 0.208 277 K C 2.004 178.708 176.600 0.175 0.000 1.048 277 K CA 1.520 57.926 56.287 0.199 0.000 0.929 277 K CB -0.134 32.433 32.500 0.111 0.000 0.713 277 K HN 0.227 nan 8.250 nan 0.000 0.439 278 K N -0.313 120.168 120.400 0.135 0.000 1.991 278 K HA -0.233 4.086 4.320 -0.001 0.000 0.212 278 K C 2.253 178.945 176.600 0.153 0.000 1.049 278 K CA 1.840 58.199 56.287 0.120 0.000 0.932 278 K CB -0.402 32.160 32.500 0.104 0.000 0.717 278 K HN 0.145 nan 8.250 nan 0.000 0.441 279 Y N 1.363 121.705 120.300 0.070 0.000 2.145 279 Y HA -0.217 4.333 4.550 -0.001 0.000 0.286 279 Y C 1.915 177.887 175.900 0.120 0.000 1.145 279 Y CA 1.591 59.749 58.100 0.097 0.000 1.148 279 Y CB -0.124 38.384 38.460 0.080 0.000 0.981 279 Y HN 0.056 nan 8.280 nan 0.000 0.507 280 L N -1.001 120.391 121.223 0.281 0.000 2.042 280 L HA -0.301 4.038 4.340 -0.001 0.000 0.210 280 L C 2.516 179.440 176.870 0.089 0.000 1.076 280 L CA 1.722 56.679 54.840 0.195 0.000 0.749 280 L CB -0.668 41.541 42.059 0.250 0.000 0.893 280 L HN 0.165 nan 8.230 nan 0.000 0.432 281 S N -0.493 115.259 115.700 0.087 0.000 2.368 281 S HA -0.196 4.273 4.470 -0.001 0.000 0.224 281 S C 1.895 176.499 174.600 0.007 0.000 1.029 281 S CA 1.310 59.541 58.200 0.052 0.000 0.988 281 S CB -0.157 63.076 63.200 0.054 0.000 0.838 281 S HN 0.207 nan 8.310 nan 0.000 0.462 282 K N 2.081 122.465 120.400 -0.028 0.000 2.504 282 K HA -0.003 4.316 4.320 -0.001 0.000 0.195 282 K C 1.081 177.669 176.600 -0.019 0.000 1.036 282 K CA 1.045 57.297 56.287 -0.059 0.000 0.984 282 K CB -0.329 32.109 32.500 -0.103 0.000 0.788 282 K HN 0.439 nan 8.250 nan 0.000 0.488 283 T N -3.324 111.176 114.554 -0.089 0.000 3.269 283 T HA 0.354 4.704 4.350 -0.001 0.000 0.269 283 T C 0.859 175.551 174.700 -0.013 0.000 0.993 283 T CA -0.188 61.859 62.100 -0.087 0.000 0.909 283 T CB 0.163 68.838 68.868 -0.320 0.000 1.115 283 T HN 0.231 nan 8.240 nan 0.000 0.543 284 G N 2.152 110.966 108.800 0.024 0.000 2.160 284 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.251 284 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.251 284 G C 0.432 175.438 174.900 0.177 0.000 1.008 284 G CA 0.015 45.166 45.100 0.086 0.000 0.724 284 G HN 0.620 nan 8.290 nan 0.000 0.514 285 R N -0.563 119.994 120.500 0.096 0.000 2.727 285 R HA 0.535 4.875 4.340 -0.001 0.000 0.410 285 R C 2.120 178.458 176.300 0.064 0.000 1.101 285 R CA 0.372 56.514 56.100 0.070 0.000 1.045 285 R CB 0.232 30.579 30.300 0.079 0.000 1.380 285 R HN 0.371 nan 8.270 nan 0.000 0.587 286 A N 1.682 124.539 122.820 0.062 0.000 1.986 286 A HA -0.250 4.069 4.320 -0.001 0.000 0.220 286 A C 1.735 179.356 177.584 0.062 0.000 1.171 286 A CA 2.069 54.147 52.037 0.068 0.000 0.640 286 A CB -0.200 18.831 19.000 0.052 0.000 0.811 286 A HN 0.474 nan 8.150 nan 0.000 0.451 287 D N 0.291 120.709 120.400 0.031 0.000 2.144 287 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 287 D C 1.785 178.096 176.300 0.019 0.000 0.978 287 D CA 1.197 55.207 54.000 0.016 0.000 0.833 287 D CB -0.682 40.105 40.800 -0.022 0.000 0.961 287 D HN 0.530 nan 8.370 nan 0.000 0.470 288 I N 1.201 121.774 120.570 0.005 0.000 2.226 288 I HA -0.211 3.958 4.170 -0.001 0.000 0.245 288 I C 2.700 178.874 176.117 0.095 0.000 1.100 288 I CA 1.186 62.489 61.300 0.003 0.000 1.374 288 I CB -0.331 37.662 38.000 -0.013 0.000 1.057 288 I HN 0.028 nan 8.210 nan 0.000 0.413 289 A N 0.862 123.765 122.820 0.139 0.000 1.969 289 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 289 A C 1.995 179.707 177.584 0.213 0.000 1.169 289 A CA 1.628 53.799 52.037 0.223 0.000 0.635 289 A CB -0.526 18.618 19.000 0.239 0.000 0.810 289 A HN 0.409 nan 8.150 nan 0.000 0.445 290 N N -0.320 118.470 118.700 0.150 0.000 2.216 290 N HA -0.082 4.657 4.740 -0.001 0.000 0.183 290 N C 1.564 177.172 175.510 0.163 0.000 1.017 290 N CA 1.227 54.360 53.050 0.138 0.000 0.861 290 N CB -0.477 38.066 38.487 0.093 0.000 0.986 290 N HN 0.425 nan 8.380 nan 0.000 0.428 291 L N 1.266 122.592 121.223 0.172 0.000 2.027 291 L HA 0.034 4.373 4.340 -0.001 0.000 0.206 291 L C 2.050 179.167 176.870 0.410 0.000 1.074 291 L CA 1.528 56.532 54.840 0.274 0.000 0.745 291 L CB -0.998 41.175 42.059 0.190 0.000 0.898 291 L HN 0.111 nan 8.230 nan 0.000 0.433 292 A N -0.853 122.136 122.820 0.282 0.000 1.933 292 A HA -0.224 4.096 4.320 -0.001 0.000 0.218 292 A C 1.990 179.618 177.584 0.074 0.000 1.175 292 A CA 1.849 53.905 52.037 0.032 0.000 0.628 292 A CB -0.846 17.943 19.000 -0.352 0.000 0.814 292 A HN 0.549 nan 8.150 nan 0.000 0.444 293 D N -0.119 120.421 120.400 0.233 0.000 2.144 293 D HA -0.131 4.508 4.640 -0.001 0.000 0.199 293 D C 1.837 178.235 176.300 0.164 0.000 0.984 293 D CA 1.381 55.545 54.000 0.273 0.000 0.834 293 D CB -0.331 40.601 40.800 0.221 0.000 0.955 293 D HN 0.654 nan 8.370 nan 0.000 0.465 294 E N -0.857 119.432 120.200 0.148 0.000 2.274 294 E HA -0.066 4.283 4.350 -0.001 0.000 0.194 294 E C 0.744 177.242 176.600 -0.171 0.000 0.996 294 E CA 0.369 56.763 56.400 -0.010 0.000 0.840 294 E CB 0.039 29.712 29.700 -0.045 0.000 0.772 294 E HN 0.311 nan 8.360 nan 0.000 0.491 295 F N 0.415 120.380 119.950 0.025 0.000 2.684 295 F HA 0.214 4.740 4.527 -0.001 0.000 0.298 295 F C 1.730 177.518 175.800 -0.021 0.000 1.120 295 F CA -0.260 57.742 58.000 0.004 0.000 1.332 295 F CB 0.389 39.283 39.000 -0.176 0.000 0.986 295 F HN -0.202 nan 8.300 nan 0.000 0.524 296 K N 0.870 121.352 120.400 0.137 0.000 2.211 296 K HA -0.249 4.071 4.320 -0.001 0.000 0.204 296 K C 1.818 178.465 176.600 0.078 0.000 1.047 296 K CA 1.879 58.256 56.287 0.150 0.000 0.935 296 K CB -0.084 32.542 32.500 0.210 0.000 0.728 296 K HN 0.224 nan 8.250 nan 0.000 0.452 297 D N -0.162 120.222 120.400 -0.028 0.000 2.221 297 D HA -0.198 4.442 4.640 -0.001 0.000 0.204 297 D C 1.284 177.442 176.300 -0.237 0.000 0.982 297 D CA 1.280 55.177 54.000 -0.172 0.000 0.857 297 D CB 0.099 40.702 40.800 -0.328 0.000 0.934 297 D HN 0.388 nan 8.370 nan 0.000 0.475 298 H N -0.952 118.147 119.070 0.050 0.000 2.553 298 H HA 0.185 4.740 4.556 -0.001 0.000 0.265 298 H C 1.023 176.357 175.328 0.011 0.000 0.964 298 H CA 0.354 56.423 56.048 0.034 0.000 1.156 298 H CB 0.576 30.364 29.762 0.043 0.000 1.411 298 H HN 0.268 nan 8.280 nan 0.000 0.558 299 L N 1.157 122.437 121.223 0.095 0.000 2.818 299 L HA 0.186 4.525 4.340 -0.001 0.000 0.243 299 L C 0.278 177.237 176.870 0.147 0.000 1.185 299 L CA -0.231 54.667 54.840 0.096 0.000 0.988 299 L CB 0.628 42.710 42.059 0.039 0.000 1.292 299 L HN -0.067 nan 8.230 nan 0.000 0.519 300 V N -4.141 115.839 119.914 0.111 0.000 3.102 300 V HA 0.722 4.841 4.120 -0.001 0.000 0.312 300 V C -2.742 173.389 176.094 0.063 0.000 1.135 300 V CA -2.342 60.020 62.300 0.104 0.000 1.022 300 V CB 1.964 33.844 31.823 0.095 0.000 1.056 300 V HN -0.149 nan 8.190 nan 0.000 0.436 301 P HA 0.281 nan 4.420 nan 0.000 0.278 301 P C -0.924 176.367 177.300 -0.014 0.000 1.238 301 P CA 0.007 63.111 63.100 0.008 0.000 0.794 301 P CB 0.600 32.301 31.700 0.001 0.000 0.955 302 D N 2.902 123.281 120.400 -0.035 0.000 2.423 302 D HA 0.092 4.731 4.640 -0.001 0.000 0.238 302 D C -1.701 174.572 176.300 -0.045 0.000 1.142 302 D CA -0.899 53.080 54.000 -0.035 0.000 0.884 302 D CB -0.569 40.211 40.800 -0.034 0.000 1.199 302 D HN 0.320 nan 8.370 nan 0.000 0.438 303 P HA 0.048 nan 4.420 nan 0.000 0.264 303 P C 0.646 177.927 177.300 -0.032 0.000 1.193 303 P CA 0.101 63.190 63.100 -0.019 0.000 0.763 303 P CB 0.572 32.268 31.700 -0.006 0.000 0.810 304 G N 2.188 110.967 108.800 -0.035 0.000 2.160 304 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.251 304 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.251 304 G C 0.364 175.214 174.900 -0.084 0.000 1.008 304 G CA -0.021 45.054 45.100 -0.042 0.000 0.724 304 G HN 0.913 nan 8.290 nan 0.000 0.514 305 C N -0.540 118.659 119.300 -0.167 0.000 2.595 305 C HA 0.711 5.170 4.460 -0.001 0.000 0.384 305 C C 0.796 175.585 174.990 -0.336 0.000 1.289 305 C CA -1.143 57.729 59.018 -0.243 0.000 2.372 305 C CB 0.809 28.342 27.740 -0.345 0.000 2.593 305 C HN 0.584 nan 8.230 nan 0.000 0.639 306 H N 1.259 120.120 119.070 -0.348 0.000 2.556 306 H HA 0.381 4.937 4.556 -0.001 0.000 0.310 306 H C -1.349 173.800 175.328 -0.298 0.000 1.057 306 H CA -0.211 55.679 56.048 -0.264 0.000 1.264 306 H CB 0.378 30.068 29.762 -0.121 0.000 1.404 306 H HN 0.816 nan 8.280 nan 0.000 0.462 307 Y N 3.341 123.330 120.300 -0.519 0.000 2.320 307 Y HA 0.045 4.594 4.550 -0.001 0.000 0.324 307 Y C 1.510 177.047 175.900 -0.605 0.000 1.190 307 Y CA -0.657 57.184 58.100 -0.431 0.000 1.215 307 Y CB 1.108 39.400 38.460 -0.281 0.000 1.221 307 Y HN 0.636 nan 8.280 nan 0.000 0.486 308 D N 1.090 121.391 120.400 -0.166 0.000 2.349 308 D HA -0.077 4.563 4.640 -0.001 0.000 0.224 308 D C 0.031 176.294 176.300 -0.062 0.000 1.029 308 D CA 0.930 54.858 54.000 -0.119 0.000 0.879 308 D CB 0.509 41.303 40.800 -0.010 0.000 0.906 308 D HN 0.558 nan 8.370 nan 0.000 0.528 309 Q N 0.176 119.938 119.800 -0.064 0.000 2.518 309 Q HA 0.245 4.585 4.340 -0.001 0.000 0.254 309 Q C -2.398 173.557 176.000 -0.076 0.000 0.962 309 Q CA -0.396 55.376 55.803 -0.052 0.000 0.982 309 Q CB 1.549 30.257 28.738 -0.049 0.000 1.516 309 Q HN -0.187 nan 8.270 nan 0.000 0.426 310 V N 5.189 125.068 119.914 -0.058 0.000 2.604 310 V HA 0.636 4.756 4.120 -0.001 0.000 0.305 310 V C -0.448 175.599 176.094 -0.078 0.000 1.043 310 V CA -0.515 61.739 62.300 -0.075 0.000 0.888 310 V CB 1.898 33.721 31.823 0.001 0.000 0.995 310 V HN 0.742 nan 8.190 nan 0.000 0.429 311 I N 3.546 124.046 120.570 -0.117 0.000 2.498 311 I HA 0.479 4.649 4.170 -0.001 0.000 0.290 311 I C -0.364 175.686 176.117 -0.111 0.000 1.032 311 I CA -0.469 60.771 61.300 -0.100 0.000 1.073 311 I CB 2.231 40.163 38.000 -0.115 0.000 1.251 311 I HN 0.633 nan 8.210 nan 0.000 0.426 312 E N 6.880 127.035 120.200 -0.076 0.000 2.158 312 E HA 0.618 4.967 4.350 -0.001 0.000 0.271 312 E C -1.440 175.128 176.600 -0.054 0.000 0.911 312 E CA -0.536 55.819 56.400 -0.076 0.000 0.767 312 E CB 1.646 31.317 29.700 -0.048 0.000 1.120 312 E HN 0.468 nan 8.360 nan 0.000 0.405 313 I N 4.051 124.589 120.570 -0.053 0.000 2.466 313 I HA 0.205 4.374 4.170 -0.001 0.000 0.289 313 I C -0.541 175.567 176.117 -0.015 0.000 1.026 313 I CA -0.949 60.336 61.300 -0.025 0.000 1.078 313 I CB 1.820 39.812 38.000 -0.014 0.000 1.249 313 I HN 0.449 nan 8.210 nan 0.000 0.429 314 N N 6.931 125.629 118.700 -0.003 0.000 2.415 314 N HA 0.257 4.996 4.740 -0.001 0.000 0.246 314 N C 0.710 176.230 175.510 0.015 0.000 1.078 314 N CA -0.025 53.028 53.050 0.005 0.000 0.942 314 N CB 1.101 39.593 38.487 0.008 0.000 1.140 314 N HN 0.612 nan 8.380 nan 0.000 0.501 315 L N 1.828 123.061 121.223 0.017 0.000 2.083 315 L HA -0.138 4.201 4.340 -0.001 0.000 0.209 315 L C 2.068 178.955 176.870 0.029 0.000 1.083 315 L CA 0.830 55.685 54.840 0.025 0.000 0.752 315 L CB -0.290 41.784 42.059 0.025 0.000 0.899 315 L HN 0.442 nan 8.230 nan 0.000 0.433 316 S N -0.328 115.387 115.700 0.024 0.000 2.382 316 S HA -0.193 4.276 4.470 -0.001 0.000 0.228 316 S C 1.748 176.365 174.600 0.029 0.000 1.027 316 S CA 1.206 59.421 58.200 0.025 0.000 0.991 316 S CB -0.167 63.045 63.200 0.020 0.000 0.823 316 S HN 0.382 nan 8.310 nan 0.000 0.469 317 E N 0.252 120.469 120.200 0.029 0.000 2.511 317 E HA 0.125 4.475 4.350 -0.001 0.000 0.196 317 E C 0.035 176.665 176.600 0.048 0.000 1.066 317 E CA -0.132 56.287 56.400 0.033 0.000 0.871 317 E CB 0.036 29.753 29.700 0.029 0.000 0.863 317 E HN 0.218 nan 8.360 nan 0.000 0.520 318 L N 1.089 122.345 121.223 0.055 0.000 2.397 318 L HA 0.196 4.535 4.340 -0.001 0.000 0.271 318 L C -0.407 176.521 176.870 0.097 0.000 1.148 318 L CA 0.357 55.247 54.840 0.084 0.000 0.825 318 L CB 0.572 42.672 42.059 0.069 0.000 1.117 318 L HN -0.258 nan 8.230 nan 0.000 0.456 319 K N 4.156 124.639 120.400 0.138 0.000 2.443 319 K HA 0.543 4.862 4.320 -0.001 0.000 0.251 319 K C -2.609 174.068 176.600 0.129 0.000 0.972 319 K CA -2.228 54.115 56.287 0.093 0.000 0.833 319 K CB 1.663 34.173 32.500 0.017 0.000 1.317 319 K HN 0.238 nan 8.250 nan 0.000 0.441 320 P HA 0.090 nan 4.420 nan 0.000 0.265 320 P C -0.898 176.404 177.300 0.002 0.000 1.193 320 P CA 0.323 63.481 63.100 0.097 0.000 0.765 320 P CB 0.312 32.048 31.700 0.060 0.000 0.823 321 H N 1.248 120.338 119.070 0.034 0.000 2.731 321 H HA 0.742 5.297 4.556 -0.001 0.000 0.368 321 H C -0.490 174.873 175.328 0.058 0.000 1.168 321 H CA -0.694 55.380 56.048 0.045 0.000 1.181 321 H CB 1.527 31.312 29.762 0.040 0.000 1.743 321 H HN 0.282 nan 8.280 nan 0.000 0.547 322 I N 1.850 122.540 120.570 0.200 0.000 2.548 322 I HA 0.353 4.523 4.170 -0.001 0.000 0.287 322 I C -1.527 174.776 176.117 0.310 0.000 1.103 322 I CA -0.604 60.808 61.300 0.188 0.000 1.049 322 I CB 1.095 39.141 38.000 0.076 0.000 1.232 322 I HN 0.529 nan 8.210 nan 0.000 0.429 323 N N 5.016 123.861 118.700 0.240 0.000 2.372 323 N HA 0.932 5.671 4.740 -0.001 0.000 0.291 323 N C -0.266 175.298 175.510 0.089 0.000 1.024 323 N CA 0.138 53.287 53.050 0.165 0.000 0.873 323 N CB 2.105 40.627 38.487 0.057 0.000 1.206 323 N HN 1.023 nan 8.380 nan 0.000 0.486 324 G N 1.488 110.294 108.800 0.010 0.000 2.346 324 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.294 324 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.294 324 G C -2.566 171.969 174.900 -0.607 0.000 1.294 324 G CA -0.709 44.146 45.100 -0.409 0.000 0.962 324 G HN 0.350 nan 8.290 nan 0.000 0.508 325 P HA 0.290 nan 4.420 nan 0.000 0.257 325 P C 0.375 176.724 177.300 -1.585 0.000 1.241 325 P CA 0.594 62.617 63.100 -1.796 0.000 0.816 325 P CB 0.147 30.412 31.700 -2.392 0.000 1.150 326 F N 0.111 119.754 119.950 -0.512 0.000 2.746 326 F HA 0.231 4.758 4.527 -0.001 0.000 0.320 326 F C 0.750 176.256 175.800 -0.490 0.000 1.097 326 F CA 0.214 57.961 58.000 -0.422 0.000 1.195 326 F CB 0.311 39.118 39.000 -0.322 0.000 1.056 326 F HN -0.209 nan 8.300 nan 0.000 0.562 327 T N -1.883 112.433 114.554 -0.397 0.000 2.896 327 T HA 0.291 4.640 4.350 -0.001 0.000 0.297 327 T C -2.301 172.172 174.700 -0.379 0.000 1.108 327 T CA -1.665 60.105 62.100 -0.551 0.000 1.004 327 T CB 2.482 71.160 68.868 -0.316 0.000 1.159 327 T HN -0.307 nan 8.240 nan 0.000 0.499 328 P HA 0.055 nan 4.420 nan 0.000 0.241 328 P C 0.250 177.516 177.300 -0.058 0.000 1.191 328 P CA 0.657 63.696 63.100 -0.101 0.000 0.771 328 P CB 0.096 31.807 31.700 0.019 0.000 0.929 329 D N -0.891 119.469 120.400 -0.067 0.000 2.367 329 D HA -0.022 4.618 4.640 -0.001 0.000 0.207 329 D C 0.851 177.114 176.300 -0.061 0.000 1.034 329 D CA -0.221 53.755 54.000 -0.040 0.000 0.861 329 D CB -0.989 39.803 40.800 -0.013 0.000 0.943 329 D HN 0.057 nan 8.370 nan 0.000 0.515 330 L N 1.761 122.935 121.223 -0.082 0.000 2.536 330 L HA 0.426 4.765 4.340 -0.001 0.000 0.282 330 L C -0.251 176.485 176.870 -0.223 0.000 1.147 330 L CA -0.752 54.028 54.840 -0.100 0.000 0.936 330 L CB -0.691 41.355 42.059 -0.022 0.000 1.279 330 L HN 0.114 nan 8.230 nan 0.000 0.461 331 A N 5.588 128.261 122.820 -0.244 0.000 2.328 331 A HA 0.587 4.906 4.320 -0.001 0.000 0.284 331 A C -0.576 176.773 177.584 -0.391 0.000 1.160 331 A CA -0.364 51.557 52.037 -0.194 0.000 0.818 331 A CB 0.144 19.131 19.000 -0.022 0.000 1.087 331 A HN 0.813 nan 8.150 nan 0.000 0.504 332 H N 1.574 120.760 119.070 0.194 0.000 2.771 332 H HA 0.348 4.903 4.556 -0.001 0.000 0.361 332 H C -2.842 172.416 175.328 -0.116 0.000 1.108 332 H CA -1.838 54.259 56.048 0.081 0.000 1.201 332 H CB 1.719 31.536 29.762 0.091 0.000 1.681 332 H HN 0.384 nan 8.280 nan 0.000 0.534 333 P HA -0.083 nan 4.420 nan 0.000 0.268 333 P C 1.432 178.626 177.300 -0.177 0.000 1.205 333 P CA -0.081 62.801 63.100 -0.363 0.000 0.771 333 P CB 1.022 32.574 31.700 -0.247 0.000 0.858 334 V N 1.311 121.106 119.914 -0.198 0.000 2.667 334 V HA -0.174 3.946 4.120 -0.001 0.000 0.252 334 V C 1.971 177.946 176.094 -0.199 0.000 1.065 334 V CA 1.783 63.981 62.300 -0.171 0.000 1.083 334 V CB -1.995 29.720 31.823 -0.181 0.000 0.692 334 V HN 0.490 nan 8.190 nan 0.000 0.468 335 A N 0.871 123.572 122.820 -0.199 0.000 1.873 335 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 335 A C 2.084 179.585 177.584 -0.138 0.000 1.193 335 A CA 2.435 54.363 52.037 -0.182 0.000 0.629 335 A CB -0.800 18.109 19.000 -0.153 0.000 0.826 335 A HN 0.603 nan 8.150 nan 0.000 0.447 336 E N -0.956 119.183 120.200 -0.101 0.000 2.274 336 E HA -0.019 4.331 4.350 -0.001 0.000 0.194 336 E C 1.751 178.304 176.600 -0.079 0.000 0.996 336 E CA 0.631 56.991 56.400 -0.067 0.000 0.840 336 E CB -0.186 29.507 29.700 -0.012 0.000 0.772 336 E HN 0.321 nan 8.360 nan 0.000 0.491 337 V N 0.211 120.060 119.914 -0.107 0.000 2.332 337 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 337 V C 2.015 178.021 176.094 -0.146 0.000 1.055 337 V CA 2.291 64.494 62.300 -0.163 0.000 1.038 337 V CB -0.753 30.937 31.823 -0.222 0.000 0.651 337 V HN 0.455 nan 8.190 nan 0.000 0.450 338 G N -0.665 108.055 108.800 -0.134 0.000 2.553 338 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.218 338 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.218 338 G C 1.759 176.605 174.900 -0.090 0.000 1.195 338 G CA 1.381 46.417 45.100 -0.105 0.000 0.779 338 G HN 0.566 nan 8.290 nan 0.000 0.577 339 S N 0.186 115.832 115.700 -0.090 0.000 2.377 339 S HA -0.209 4.261 4.470 -0.001 0.000 0.224 339 S C 2.479 177.008 174.600 -0.118 0.000 1.042 339 S CA 1.775 59.922 58.200 -0.087 0.000 1.086 339 S CB -0.746 62.410 63.200 -0.072 0.000 0.995 339 S HN 0.210 nan 8.310 nan 0.000 0.428 340 V N 2.275 122.112 119.914 -0.128 0.000 2.407 340 V HA -0.193 3.926 4.120 -0.001 0.000 0.248 340 V C 2.666 178.536 176.094 -0.373 0.000 1.055 340 V CA 1.566 63.740 62.300 -0.209 0.000 1.049 340 V CB -1.464 30.273 31.823 -0.144 0.000 0.662 340 V HN 0.570 nan 8.190 nan 0.000 0.455 341 A N 0.145 122.859 122.820 -0.176 0.000 1.940 341 A HA -0.250 4.069 4.320 -0.001 0.000 0.219 341 A C 2.203 179.684 177.584 -0.172 0.000 1.176 341 A CA 2.015 54.008 52.037 -0.072 0.000 0.631 341 A CB -0.379 18.690 19.000 0.115 0.000 0.814 341 A HN 0.688 nan 8.150 nan 0.000 0.446 342 E N -0.543 119.573 120.200 -0.140 0.000 2.076 342 E HA -0.155 4.195 4.350 -0.001 0.000 0.190 342 E C 1.998 178.506 176.600 -0.154 0.000 0.979 342 E CA 1.199 57.532 56.400 -0.113 0.000 0.807 342 E CB -0.167 29.485 29.700 -0.079 0.000 0.761 342 E HN 0.575 nan 8.360 nan 0.000 0.454 343 K N 1.845 122.133 120.400 -0.187 0.000 2.148 343 K HA -0.171 4.149 4.320 -0.001 0.000 0.204 343 K C 1.762 178.216 176.600 -0.243 0.000 1.050 343 K CA 1.410 57.590 56.287 -0.179 0.000 0.942 343 K CB 0.094 32.502 32.500 -0.152 0.000 0.724 343 K HN -0.094 nan 8.250 nan 0.000 0.446 344 E N -0.908 119.028 120.200 -0.440 0.000 2.318 344 E HA 0.179 4.529 4.350 -0.001 0.000 0.193 344 E C 0.496 176.829 176.600 -0.445 0.000 0.998 344 E CA 0.993 57.040 56.400 -0.589 0.000 0.859 344 E CB 0.464 29.405 29.700 -1.266 0.000 0.812 344 E HN 0.476 nan 8.360 nan 0.000 0.492 345 G N -0.006 108.593 108.800 -0.334 0.000 2.141 345 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.195 345 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.195 345 G C -0.584 174.397 174.900 0.134 0.000 1.012 345 G CA -0.127 44.932 45.100 -0.067 0.000 0.696 345 G HN -0.009 nan 8.290 nan 0.000 0.508 346 W N -0.203 121.177 121.300 0.133 0.000 2.376 346 W HA 0.548 5.208 4.660 -0.001 0.000 0.322 346 W C -2.198 174.351 176.519 0.050 0.000 1.160 346 W CA -3.296 54.154 57.345 0.175 0.000 1.218 346 W CB 0.174 29.847 29.460 0.356 0.000 1.205 346 W HN 0.006 nan 8.180 nan 0.000 0.559 347 P HA 0.050 nan 4.420 nan 0.000 0.266 347 P C 1.029 178.380 177.300 0.084 0.000 1.215 347 P CA 0.258 63.396 63.100 0.064 0.000 0.763 347 P CB 0.679 32.368 31.700 -0.018 0.000 0.806 348 L N 1.242 122.493 121.223 0.047 0.000 2.240 348 L HA -0.002 4.337 4.340 -0.001 0.000 0.211 348 L C 0.736 177.606 176.870 -0.000 0.000 1.106 348 L CA 1.091 55.942 54.840 0.019 0.000 0.793 348 L CB -0.215 41.845 42.059 0.003 0.000 0.927 348 L HN 0.384 nan 8.230 nan 0.000 0.446 349 D N -0.328 120.074 120.400 0.004 0.000 2.210 349 D HA 0.305 4.944 4.640 -0.001 0.000 0.249 349 D C -0.167 176.137 176.300 0.008 0.000 1.078 349 D CA -0.346 53.651 54.000 -0.005 0.000 0.875 349 D CB 1.199 41.995 40.800 -0.007 0.000 1.175 349 D HN -0.075 nan 8.370 nan 0.000 0.440 350 I N 4.285 124.855 120.570 0.000 0.000 2.406 350 I HA 0.102 4.271 4.170 -0.001 0.000 0.293 350 I C 1.457 177.592 176.117 0.031 0.000 1.101 350 I CA -0.211 61.099 61.300 0.017 0.000 1.334 350 I CB 0.822 38.820 38.000 -0.004 0.000 1.421 350 I HN 0.402 nan 8.210 nan 0.000 0.513 351 R N 4.869 125.401 120.500 0.053 0.000 2.064 351 R HA 0.060 4.399 4.340 -0.001 0.000 0.228 351 R C -0.074 176.283 176.300 0.095 0.000 1.144 351 R CA 1.261 57.398 56.100 0.062 0.000 0.932 351 R CB 0.115 30.453 30.300 0.063 0.000 0.833 351 R HN 0.478 nan 8.270 nan 0.000 0.429 352 V N -0.528 119.466 119.914 0.133 0.000 2.588 352 V HA 0.604 4.723 4.120 -0.001 0.000 0.304 352 V C -0.082 176.105 176.094 0.155 0.000 1.042 352 V CA -0.844 61.568 62.300 0.186 0.000 0.877 352 V CB 1.684 33.695 31.823 0.313 0.000 0.996 352 V HN 0.365 nan 8.190 nan 0.000 0.425 353 G N 4.113 113.024 108.800 0.186 0.000 2.384 353 G HA2 0.671 4.631 3.960 -0.001 0.000 0.316 353 G HA3 0.671 4.631 3.960 -0.001 0.000 0.316 353 G C -1.217 173.808 174.900 0.209 0.000 1.160 353 G CA -0.371 44.847 45.100 0.197 0.000 0.936 353 G HN 0.496 nan 8.290 nan 0.000 0.455 354 L N 3.620 124.836 121.223 -0.010 0.000 2.325 354 L HA 0.571 4.910 4.340 -0.001 0.000 0.281 354 L C 0.333 177.079 176.870 -0.208 0.000 1.004 354 L CA -0.702 54.035 54.840 -0.172 0.000 0.823 354 L CB 1.544 43.396 42.059 -0.344 0.000 1.236 354 L HN 0.623 nan 8.230 nan 0.000 0.415 355 I N -0.459 120.036 120.570 -0.125 0.000 2.982 355 I HA 1.075 5.244 4.170 -0.001 0.000 0.312 355 I C 0.762 176.908 176.117 0.049 0.000 1.041 355 I CA -0.517 60.762 61.300 -0.035 0.000 1.053 355 I CB 1.841 39.841 38.000 -0.000 0.000 1.248 355 I HN 0.691 nan 8.210 nan 0.000 0.471 356 G N 2.355 111.208 108.800 0.089 0.000 2.475 356 G HA2 0.233 4.192 3.960 -0.001 0.000 0.223 356 G HA3 0.233 4.192 3.960 -0.001 0.000 0.223 356 G C -0.051 174.905 174.900 0.093 0.000 1.201 356 G CA 0.453 45.591 45.100 0.062 0.000 0.962 356 G HN 2.759 nan 8.290 nan 0.000 0.586 357 S N -3.230 112.437 115.700 -0.055 0.000 3.795 357 S HA -0.102 4.367 4.470 -0.001 0.000 0.639 357 S C 2.156 176.692 174.600 -0.107 0.000 2.014 357 S CA 1.973 60.060 58.200 -0.189 0.000 2.183 357 S CB -1.738 61.219 63.200 -0.404 0.000 0.328 357 S HN 2.869 nan 8.310 nan 0.000 1.794 358 C N -0.711 118.519 119.300 -0.115 0.000 2.446 358 C HA 0.196 4.655 4.460 -0.001 0.000 0.279 358 C C 2.730 177.691 174.990 -0.048 0.000 1.366 358 C CA 1.411 60.394 59.018 -0.058 0.000 1.763 358 C CB -2.328 25.412 27.740 0.000 0.000 1.929 358 C HN 0.948 nan 8.230 nan 0.000 0.509 359 T N 0.660 115.174 114.554 -0.066 0.000 2.904 359 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 359 T C 0.710 175.396 174.700 -0.022 0.000 1.059 359 T CA 1.558 63.627 62.100 -0.052 0.000 1.137 359 T CB -0.503 68.335 68.868 -0.050 0.000 0.879 359 T HN 0.768 nan 8.240 nan 0.000 0.467 360 N N 0.321 119.022 118.700 0.001 0.000 2.700 360 N HA 0.258 4.998 4.740 -0.001 0.000 0.242 360 N C -0.590 174.927 175.510 0.011 0.000 1.541 360 N CA -0.056 53.000 53.050 0.010 0.000 0.764 360 N CB 1.022 39.528 38.487 0.032 0.000 1.319 360 N HN -0.039 nan 8.380 nan 0.000 0.518 361 S N 0.093 115.795 115.700 0.004 0.000 3.025 361 S HA 0.118 4.587 4.470 -0.001 0.000 0.251 361 S C 0.123 174.748 174.600 0.042 0.000 0.954 361 S CA -0.486 57.720 58.200 0.010 0.000 1.092 361 S CB -0.221 62.976 63.200 -0.006 0.000 1.079 361 S HN 0.444 nan 8.310 nan 0.000 0.543 362 S N 0.221 115.954 115.700 0.055 0.000 2.634 362 S HA 0.287 4.757 4.470 -0.001 0.000 0.261 362 S C 0.844 175.564 174.600 0.200 0.000 1.271 362 S CA -0.412 57.868 58.200 0.134 0.000 0.985 362 S CB 0.008 63.280 63.200 0.120 0.000 0.968 362 S HN 0.451 nan 8.310 nan 0.000 0.568 363 Y N 0.576 121.005 120.300 0.215 0.000 2.207 363 Y HA -0.174 4.375 4.550 -0.001 0.000 0.287 363 Y C 2.550 178.542 175.900 0.154 0.000 1.156 363 Y CA 2.306 60.564 58.100 0.264 0.000 1.182 363 Y CB -0.281 38.405 38.460 0.376 0.000 0.979 363 Y HN 0.960 nan 8.280 nan 0.000 0.521 364 E N -0.326 120.002 120.200 0.214 0.000 2.077 364 E HA -0.217 4.132 4.350 -0.001 0.000 0.193 364 E C 1.597 178.153 176.600 -0.073 0.000 0.989 364 E CA 1.550 57.986 56.400 0.060 0.000 0.800 364 E CB -0.086 29.664 29.700 0.083 0.000 0.746 364 E HN 0.513 nan 8.360 nan 0.000 0.452 365 D N -0.026 120.348 120.400 -0.043 0.000 2.103 365 D HA -0.137 4.503 4.640 -0.001 0.000 0.199 365 D C 1.960 178.183 176.300 -0.130 0.000 0.978 365 D CA 0.882 54.841 54.000 -0.068 0.000 0.829 365 D CB -0.084 40.702 40.800 -0.024 0.000 0.981 365 D HN 0.250 nan 8.370 nan 0.000 0.464 366 M N 0.518 120.026 119.600 -0.154 0.000 2.117 366 M HA -0.031 4.449 4.480 -0.001 0.000 0.262 366 M C 2.376 178.379 176.300 -0.495 0.000 1.065 366 M CA 1.142 56.318 55.300 -0.207 0.000 1.114 366 M CB -1.500 31.039 32.600 -0.101 0.000 1.361 366 M HN 0.006 nan 8.290 nan 0.000 0.408 367 G N 0.087 108.374 108.800 -0.854 0.000 2.421 367 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 367 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 367 G C 1.788 176.331 174.900 -0.595 0.000 1.171 367 G CA 0.323 44.635 45.100 -1.314 0.000 0.775 367 G HN 0.351 nan 8.290 nan 0.000 0.543 368 R N 0.583 120.876 120.500 -0.345 0.000 2.105 368 R HA -0.043 4.297 4.340 -0.001 0.000 0.239 368 R C 2.861 179.047 176.300 -0.189 0.000 1.135 368 R CA 1.395 57.356 56.100 -0.232 0.000 0.967 368 R CB -0.539 29.656 30.300 -0.175 0.000 0.861 368 R HN 0.337 nan 8.270 nan 0.000 0.442 369 S N 0.756 116.361 115.700 -0.159 0.000 2.387 369 S HA -0.053 4.416 4.470 -0.001 0.000 0.226 369 S C 2.045 176.615 174.600 -0.050 0.000 1.026 369 S CA 1.041 59.211 58.200 -0.051 0.000 0.972 369 S CB -0.021 63.193 63.200 0.023 0.000 0.814 369 S HN 0.451 nan 8.310 nan 0.000 0.477 370 A N 1.570 124.302 122.820 -0.146 0.000 1.930 370 A HA 0.202 4.521 4.320 -0.001 0.000 0.217 370 A C 2.308 179.854 177.584 -0.063 0.000 1.175 370 A CA 1.461 53.446 52.037 -0.087 0.000 0.627 370 A CB -0.929 17.976 19.000 -0.159 0.000 0.815 370 A HN 0.496 nan 8.150 nan 0.000 0.443 371 A N -0.634 122.112 122.820 -0.123 0.000 2.019 371 A HA 0.062 4.382 4.320 -0.001 0.000 0.219 371 A C 2.152 179.716 177.584 -0.032 0.000 1.164 371 A CA 1.703 53.693 52.037 -0.078 0.000 0.644 371 A CB -0.590 18.337 19.000 -0.122 0.000 0.805 371 A HN 0.334 nan 8.150 nan 0.000 0.449 372 V N -0.526 119.375 119.914 -0.022 0.000 2.302 372 V HA -0.132 3.987 4.120 -0.001 0.000 0.243 372 V C 3.041 179.180 176.094 0.075 0.000 1.036 372 V CA 1.586 63.917 62.300 0.053 0.000 1.020 372 V CB -1.208 30.668 31.823 0.087 0.000 0.657 372 V HN 0.586 nan 8.190 nan 0.000 0.453 373 A N 1.418 124.269 122.820 0.053 0.000 1.884 373 A HA -0.338 3.981 4.320 -0.001 0.000 0.219 373 A C 2.285 179.910 177.584 0.069 0.000 1.197 373 A CA 2.772 54.844 52.037 0.058 0.000 0.637 373 A CB -0.760 18.284 19.000 0.072 0.000 0.827 373 A HN 0.663 nan 8.150 nan 0.000 0.450 374 K N -0.359 120.078 120.400 0.061 0.000 2.089 374 K HA -0.303 4.016 4.320 -0.001 0.000 0.210 374 K C 1.918 178.561 176.600 0.072 0.000 1.048 374 K CA 2.104 58.425 56.287 0.057 0.000 0.926 374 K CB -0.466 32.062 32.500 0.047 0.000 0.714 374 K HN 0.647 nan 8.250 nan 0.000 0.448 375 Q N 0.250 120.115 119.800 0.107 0.000 2.079 375 Q HA -0.061 4.279 4.340 -0.001 0.000 0.200 375 Q C 2.344 178.488 176.000 0.241 0.000 0.974 375 Q CA 1.603 57.510 55.803 0.173 0.000 0.840 375 Q CB -0.184 28.693 28.738 0.232 0.000 0.898 375 Q HN 0.581 nan 8.270 nan 0.000 0.430 376 A N 0.704 123.652 122.820 0.213 0.000 1.930 376 A HA -0.136 4.183 4.320 -0.001 0.000 0.217 376 A C 2.032 179.707 177.584 0.153 0.000 1.175 376 A CA 0.966 53.136 52.037 0.223 0.000 0.627 376 A CB -0.596 18.478 19.000 0.124 0.000 0.815 376 A HN 0.280 nan 8.150 nan 0.000 0.443 377 L N -0.775 120.505 121.223 0.095 0.000 2.046 377 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 377 L C 2.817 179.697 176.870 0.017 0.000 1.077 377 L CA 0.995 55.867 54.840 0.052 0.000 0.747 377 L CB -0.541 41.541 42.059 0.039 0.000 0.896 377 L HN 0.424 nan 8.230 nan 0.000 0.432 378 A N -1.172 121.641 122.820 -0.012 0.000 2.259 378 A HA -0.155 4.164 4.320 -0.001 0.000 0.212 378 A C 0.735 178.099 177.584 -0.367 0.000 1.178 378 A CA 1.028 52.961 52.037 -0.173 0.000 0.734 378 A CB -0.852 18.013 19.000 -0.226 0.000 0.774 378 A HN 0.576 nan 8.150 nan 0.000 0.481 379 H N -2.146 116.822 119.070 -0.170 0.000 2.665 379 H HA 0.387 4.943 4.556 -0.001 0.000 0.248 379 H C 1.176 176.475 175.328 -0.047 0.000 1.175 379 H CA -0.054 55.884 56.048 -0.183 0.000 0.952 379 H CB 0.230 29.741 29.762 -0.418 0.000 1.883 379 H HN 0.410 nan 8.280 nan 0.000 0.623 380 G N 1.320 110.150 108.800 0.050 0.000 2.283 380 G HA2 -0.300 3.660 3.960 -0.001 0.000 0.280 380 G HA3 -0.300 3.660 3.960 -0.001 0.000 0.280 380 G C -0.053 174.883 174.900 0.060 0.000 1.029 380 G CA 0.449 45.574 45.100 0.042 0.000 0.840 380 G HN 0.339 nan 8.290 nan 0.000 0.505 381 L N -1.529 119.743 121.223 0.081 0.000 2.365 381 L HA 0.878 5.217 4.340 -0.001 0.000 0.267 381 L C 0.449 177.339 176.870 0.034 0.000 1.033 381 L CA -0.960 53.917 54.840 0.062 0.000 0.802 381 L CB 1.920 44.032 42.059 0.090 0.000 1.267 381 L HN 0.223 nan 8.230 nan 0.000 0.457 382 K N -0.724 119.679 120.400 0.005 0.000 2.548 382 K HA 0.428 4.747 4.320 -0.001 0.000 0.282 382 K C -1.622 174.951 176.600 -0.046 0.000 1.006 382 K CA -0.654 55.631 56.287 -0.004 0.000 0.892 382 K CB 1.844 34.351 32.500 0.012 0.000 1.499 382 K HN 0.558 nan 8.250 nan 0.000 0.433 383 C N 3.050 122.309 119.300 -0.067 0.000 2.648 383 C HA 0.111 4.571 4.460 -0.001 0.000 0.415 383 C C 1.733 176.683 174.990 -0.067 0.000 1.366 383 C CA -0.217 58.726 59.018 -0.126 0.000 1.756 383 C CB 0.181 27.814 27.740 -0.178 0.000 2.549 383 C HN 0.772 nan 8.230 nan 0.000 0.597 384 K N 1.636 121.983 120.400 -0.088 0.000 2.155 384 K HA -0.036 4.283 4.320 -0.001 0.000 0.203 384 K C 0.860 177.440 176.600 -0.035 0.000 1.052 384 K CA 0.982 57.232 56.287 -0.061 0.000 0.948 384 K CB 0.145 32.592 32.500 -0.089 0.000 0.728 384 K HN 0.726 nan 8.250 nan 0.000 0.448 385 S N 0.820 116.495 115.700 -0.042 0.000 2.713 385 S HA 0.182 4.652 4.470 -0.001 0.000 0.283 385 S C -0.069 174.566 174.600 0.058 0.000 1.161 385 S CA -0.740 57.464 58.200 0.007 0.000 0.999 385 S CB 1.903 65.105 63.200 0.003 0.000 1.039 385 S HN 0.141 nan 8.310 nan 0.000 0.548 386 Q N 0.379 120.244 119.800 0.107 0.000 2.454 386 Q HA 0.262 4.601 4.340 -0.001 0.000 0.247 386 Q C -1.648 174.512 176.000 0.265 0.000 1.028 386 Q CA 0.418 56.320 55.803 0.164 0.000 0.910 386 Q CB 0.433 29.269 28.738 0.163 0.000 1.276 386 Q HN 0.568 nan 8.270 nan 0.000 0.489 387 F N 1.640 121.622 119.950 0.053 0.000 2.617 387 F HA 0.280 4.806 4.527 -0.001 0.000 0.325 387 F C -0.853 174.962 175.800 0.024 0.000 1.179 387 F CA -0.584 57.435 58.000 0.030 0.000 0.965 387 F CB 1.325 40.338 39.000 0.023 0.000 1.232 387 F HN 0.440 nan 8.300 nan 0.000 0.461 388 T N 3.444 117.854 114.554 -0.240 0.000 2.908 388 T HA 0.870 5.219 4.350 -0.001 0.000 0.290 388 T C -0.854 173.559 174.700 -0.478 0.000 1.034 388 T CA -0.698 61.217 62.100 -0.308 0.000 1.010 388 T CB 2.196 70.951 68.868 -0.188 0.000 1.068 388 T HN 0.375 nan 8.240 nan 0.000 0.481 389 I N 1.509 121.864 120.570 -0.358 0.000 2.478 389 I HA 0.374 4.543 4.170 -0.001 0.000 0.287 389 I C -0.205 175.815 176.117 -0.162 0.000 1.042 389 I CA -0.442 60.681 61.300 -0.296 0.000 1.067 389 I CB 2.496 40.315 38.000 -0.302 0.000 1.233 389 I HN 0.721 nan 8.210 nan 0.000 0.431 390 T N 7.292 121.781 114.554 -0.107 0.000 2.821 390 T HA 0.400 4.749 4.350 -0.001 0.000 0.307 390 T C -2.544 172.112 174.700 -0.073 0.000 1.034 390 T CA -1.350 60.692 62.100 -0.098 0.000 0.953 390 T CB 1.062 69.857 68.868 -0.121 0.000 0.968 390 T HN 0.148 nan 8.240 nan 0.000 0.462 391 P HA 0.199 nan 4.420 nan 0.000 0.271 391 P C 1.053 178.324 177.300 -0.048 0.000 1.216 391 P CA -0.125 62.955 63.100 -0.034 0.000 0.776 391 P CB 0.690 32.383 31.700 -0.013 0.000 0.881 392 G N 1.595 110.370 108.800 -0.041 0.000 2.421 392 G HA2 -0.003 3.956 3.960 -0.001 0.000 0.217 392 G HA3 -0.003 3.956 3.960 -0.001 0.000 0.217 392 G C 0.188 175.044 174.900 -0.074 0.000 1.143 392 G CA 0.513 45.575 45.100 -0.064 0.000 0.784 392 G HN 0.628 nan 8.290 nan 0.000 0.541 393 S N -1.646 114.022 115.700 -0.054 0.000 2.638 393 S HA 0.470 4.939 4.470 -0.001 0.000 0.274 393 S C 0.364 174.956 174.600 -0.014 0.000 1.157 393 S CA -0.286 57.881 58.200 -0.054 0.000 0.826 393 S CB 2.164 65.311 63.200 -0.088 0.000 1.139 393 S HN -0.077 nan 8.310 nan 0.000 0.474 394 E N 0.869 121.077 120.200 0.013 0.000 2.118 394 E HA -0.198 4.152 4.350 -0.001 0.000 0.195 394 E C 1.898 178.522 176.600 0.039 0.000 0.992 394 E CA 2.005 58.426 56.400 0.036 0.000 0.804 394 E CB -0.333 29.405 29.700 0.064 0.000 0.741 394 E HN 0.728 nan 8.360 nan 0.000 0.458 395 Q N -0.588 119.224 119.800 0.021 0.000 2.124 395 Q HA -0.141 4.199 4.340 -0.001 0.000 0.202 395 Q C 1.819 177.842 176.000 0.038 0.000 0.977 395 Q CA 1.443 57.248 55.803 0.003 0.000 0.850 395 Q CB -0.047 28.630 28.738 -0.102 0.000 0.901 395 Q HN 0.315 nan 8.270 nan 0.000 0.429 396 I N 0.379 120.964 120.570 0.025 0.000 2.406 396 I HA -0.173 3.996 4.170 -0.001 0.000 0.249 396 I C 2.445 178.636 176.117 0.122 0.000 1.122 396 I CA 1.056 62.425 61.300 0.115 0.000 1.431 396 I CB -0.986 37.066 38.000 0.085 0.000 1.087 396 I HN 0.304 nan 8.210 nan 0.000 0.424 397 R N 1.156 121.698 120.500 0.070 0.000 2.075 397 R HA -0.158 4.181 4.340 -0.001 0.000 0.230 397 R C 2.392 178.736 176.300 0.074 0.000 1.140 397 R CA 1.873 58.010 56.100 0.060 0.000 0.928 397 R CB -0.241 30.080 30.300 0.034 0.000 0.834 397 R HN 0.251 nan 8.270 nan 0.000 0.429 398 A N 0.275 123.138 122.820 0.071 0.000 1.884 398 A HA -0.218 4.101 4.320 -0.001 0.000 0.219 398 A C 2.267 179.910 177.584 0.100 0.000 1.197 398 A CA 2.477 54.558 52.037 0.072 0.000 0.637 398 A CB -1.261 17.779 19.000 0.067 0.000 0.827 398 A HN 0.554 nan 8.150 nan 0.000 0.450 399 T N 0.721 115.373 114.554 0.162 0.000 2.684 399 T HA -0.177 4.172 4.350 -0.001 0.000 0.267 399 T C 1.848 176.664 174.700 0.194 0.000 1.036 399 T CA 1.909 64.142 62.100 0.221 0.000 1.148 399 T CB -0.677 68.452 68.868 0.435 0.000 0.863 399 T HN 0.747 nan 8.240 nan 0.000 0.436 400 I N 0.098 120.785 120.570 0.194 0.000 2.546 400 I HA 0.086 4.256 4.170 -0.001 0.000 0.255 400 I C 2.359 178.491 176.117 0.025 0.000 1.163 400 I CA 1.281 62.643 61.300 0.102 0.000 1.457 400 I CB -0.327 37.790 38.000 0.194 0.000 1.092 400 I HN 0.027 nan 8.210 nan 0.000 0.434 401 E N 2.056 122.286 120.200 0.050 0.000 2.017 401 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 401 E C 2.441 179.041 176.600 -0.000 0.000 0.997 401 E CA 1.445 57.861 56.400 0.028 0.000 0.804 401 E CB -0.360 29.361 29.700 0.035 0.000 0.757 401 E HN 0.358 nan 8.360 nan 0.000 0.448 402 R N 0.592 121.096 120.500 0.006 0.000 2.096 402 R HA -0.176 4.163 4.340 -0.001 0.000 0.240 402 R C 0.766 177.032 176.300 -0.056 0.000 1.139 402 R CA 2.050 58.142 56.100 -0.013 0.000 0.952 402 R CB -0.652 29.651 30.300 0.005 0.000 0.854 402 R HN 0.250 nan 8.270 nan 0.000 0.436 403 D N -1.324 119.009 120.400 -0.111 0.000 2.349 403 D HA 0.092 4.732 4.640 -0.001 0.000 0.224 403 D C 1.158 177.276 176.300 -0.303 0.000 1.029 403 D CA 1.039 54.904 54.000 -0.225 0.000 0.879 403 D CB 0.522 41.118 40.800 -0.340 0.000 0.906 403 D HN 0.606 nan 8.370 nan 0.000 0.528 404 G N 0.364 109.055 108.800 -0.182 0.000 2.313 404 G HA2 -0.355 3.604 3.960 -0.001 0.000 0.215 404 G HA3 -0.355 3.604 3.960 -0.001 0.000 0.215 404 G C 1.015 175.927 174.900 0.021 0.000 1.023 404 G CA -0.011 45.043 45.100 -0.078 0.000 0.626 404 G HN 0.206 nan 8.290 nan 0.000 0.503 405 Y N 1.177 121.466 120.300 -0.019 0.000 2.193 405 Y HA 0.088 4.637 4.550 -0.001 0.000 0.285 405 Y C 3.207 179.100 175.900 -0.012 0.000 1.166 405 Y CA 1.640 59.718 58.100 -0.036 0.000 1.181 405 Y CB -1.177 37.223 38.460 -0.099 0.000 0.976 405 Y HN 0.536 nan 8.280 nan 0.000 0.520 406 A N -0.535 122.369 122.820 0.139 0.000 2.015 406 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 406 A C 2.188 179.814 177.584 0.071 0.000 1.163 406 A CA 1.675 53.763 52.037 0.085 0.000 0.646 406 A CB -0.536 18.497 19.000 0.055 0.000 0.806 406 A HN 0.396 nan 8.150 nan 0.000 0.448 407 Q N -0.289 119.551 119.800 0.067 0.000 2.187 407 Q HA -0.010 4.330 4.340 -0.001 0.000 0.199 407 Q C 1.741 177.784 176.000 0.071 0.000 0.957 407 Q CA 1.600 57.437 55.803 0.057 0.000 0.857 407 Q CB -0.460 28.303 28.738 0.042 0.000 0.929 407 Q HN 0.315 nan 8.270 nan 0.000 0.453 408 V N 0.459 120.427 119.914 0.091 0.000 2.407 408 V HA -0.236 3.883 4.120 -0.001 0.000 0.248 408 V C 2.151 178.311 176.094 0.110 0.000 1.055 408 V CA 1.534 63.891 62.300 0.094 0.000 1.049 408 V CB -0.482 31.403 31.823 0.104 0.000 0.662 408 V HN 0.367 nan 8.190 nan 0.000 0.455 409 L N -0.876 120.420 121.223 0.121 0.000 2.072 409 L HA -0.082 4.258 4.340 -0.001 0.000 0.205 409 L C 2.770 179.736 176.870 0.161 0.000 1.079 409 L CA 1.376 56.316 54.840 0.167 0.000 0.752 409 L CB -0.517 41.609 42.059 0.112 0.000 0.906 409 L HN 0.198 nan 8.230 nan 0.000 0.436 410 R N 0.034 120.593 120.500 0.099 0.000 2.075 410 R HA -0.146 4.194 4.340 -0.001 0.000 0.232 410 R C 1.823 178.178 176.300 0.093 0.000 1.126 410 R CA 1.427 57.579 56.100 0.087 0.000 0.963 410 R CB -0.338 29.996 30.300 0.057 0.000 0.858 410 R HN 0.317 nan 8.270 nan 0.000 0.435 411 D N 0.217 120.666 120.400 0.082 0.000 2.221 411 D HA -0.119 4.521 4.640 -0.001 0.000 0.204 411 D C 1.783 178.128 176.300 0.074 0.000 0.982 411 D CA 1.198 55.239 54.000 0.069 0.000 0.857 411 D CB -0.024 40.810 40.800 0.057 0.000 0.934 411 D HN 0.189 nan 8.370 nan 0.000 0.475 412 V N -3.104 116.868 119.914 0.096 0.000 3.380 412 V HA 0.352 4.472 4.120 -0.001 0.000 0.268 412 V C 1.549 177.703 176.094 0.100 0.000 1.168 412 V CA 0.789 63.135 62.300 0.076 0.000 1.156 412 V CB -0.314 31.533 31.823 0.040 0.000 0.785 412 V HN 0.234 nan 8.190 nan 0.000 0.487 413 G N -0.952 107.933 108.800 0.142 0.000 2.164 413 G HA2 -0.005 3.954 3.960 -0.001 0.000 0.154 413 G HA3 -0.005 3.954 3.960 -0.001 0.000 0.154 413 G C 0.338 175.371 174.900 0.222 0.000 1.014 413 G CA -0.366 44.821 45.100 0.144 0.000 0.683 413 G HN 1.193 nan 8.290 nan 0.000 0.500 414 G N -0.194 108.779 108.800 0.289 0.000 2.400 414 G HA2 0.639 4.598 3.960 -0.001 0.000 0.301 414 G HA3 0.639 4.598 3.960 -0.001 0.000 0.301 414 G C -0.020 174.904 174.900 0.040 0.000 1.154 414 G CA -0.362 44.856 45.100 0.196 0.000 0.852 414 G HN 1.046 nan 8.290 nan 0.000 0.511 415 I N 1.743 122.303 120.570 -0.017 0.000 2.354 415 I HA 0.464 4.633 4.170 -0.001 0.000 0.292 415 I C -0.591 175.479 176.117 -0.078 0.000 0.989 415 I CA -0.830 60.458 61.300 -0.019 0.000 1.188 415 I CB 1.678 39.690 38.000 0.020 0.000 1.342 415 I HN 0.147 nan 8.210 nan 0.000 0.457 416 V N 8.153 128.034 119.914 -0.056 0.000 2.405 416 V HA 0.196 4.316 4.120 -0.001 0.000 0.264 416 V C 0.692 176.754 176.094 -0.053 0.000 1.048 416 V CA -0.351 61.908 62.300 -0.068 0.000 0.966 416 V CB 0.418 32.217 31.823 -0.039 0.000 1.015 416 V HN 0.609 nan 8.190 nan 0.000 0.477 417 L N 3.713 124.891 121.223 -0.075 0.000 2.466 417 L HA 0.524 4.864 4.340 -0.001 0.000 0.257 417 L C 1.149 177.987 176.870 -0.053 0.000 1.189 417 L CA -0.301 54.499 54.840 -0.067 0.000 0.813 417 L CB 0.479 42.472 42.059 -0.110 0.000 1.118 417 L HN 0.732 nan 8.230 nan 0.000 0.471 418 A N 1.151 123.946 122.820 -0.042 0.000 2.492 418 A HA 0.044 4.363 4.320 -0.001 0.000 0.236 418 A C 0.156 177.710 177.584 -0.050 0.000 1.078 418 A CA -0.358 51.659 52.037 -0.033 0.000 0.773 418 A CB -0.128 18.860 19.000 -0.021 0.000 1.023 418 A HN 0.782 nan 8.150 nan 0.000 0.504 419 N N 1.039 119.714 118.700 -0.042 0.000 2.971 419 N HA 0.412 5.152 4.740 -0.001 0.000 0.294 419 N C -0.295 175.172 175.510 -0.071 0.000 1.210 419 N CA 0.852 53.870 53.050 -0.055 0.000 1.157 419 N CB 0.031 38.495 38.487 -0.038 0.000 1.450 419 N HN 0.783 nan 8.380 nan 0.000 0.527 420 A N -0.627 122.136 122.820 -0.095 0.000 2.609 420 A HA 0.363 4.682 4.320 -0.001 0.000 0.291 420 A C 0.907 178.386 177.584 -0.175 0.000 1.096 420 A CA -0.711 51.260 52.037 -0.110 0.000 0.684 420 A CB 0.340 19.300 19.000 -0.067 0.000 1.282 420 A HN 0.409 nan 8.150 nan 0.000 0.412 421 C N 0.217 119.374 119.300 -0.238 0.000 2.376 421 C HA 0.206 4.666 4.460 -0.001 0.000 0.275 421 C C 2.512 177.318 174.990 -0.306 0.000 1.200 421 C CA 1.761 60.578 59.018 -0.334 0.000 1.756 421 C CB -1.709 25.724 27.740 -0.513 0.000 2.050 421 C HN 2.164 nan 8.230 nan 0.000 0.460 422 G N 1.059 109.728 108.800 -0.219 0.000 2.660 422 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.321 422 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.321 422 G C -1.170 173.632 174.900 -0.163 0.000 1.246 422 G CA 0.770 45.772 45.100 -0.164 0.000 1.000 422 G HN 0.333 nan 8.290 nan 0.000 0.550 423 P HA -0.006 nan 4.420 nan 0.000 0.221 423 P C 2.058 179.322 177.300 -0.060 0.000 1.145 423 P CA 1.636 64.624 63.100 -0.186 0.000 0.795 423 P CB -0.177 31.102 31.700 -0.702 0.000 0.775 424 C N -1.011 118.096 119.300 -0.322 0.000 2.435 424 C HA -0.067 4.393 4.460 -0.001 0.000 0.279 424 C C 1.945 176.851 174.990 -0.141 0.000 1.321 424 C CA 0.683 59.459 59.018 -0.404 0.000 1.752 424 C CB -1.638 25.619 27.740 -0.805 0.000 1.959 424 C HN 0.115 nan 8.230 nan 0.000 0.500 425 I N 0.258 120.753 120.570 -0.125 0.000 3.928 425 I HA 0.353 4.522 4.170 -0.001 0.000 0.335 425 I C 1.601 177.743 176.117 0.041 0.000 1.325 425 I CA 1.068 62.347 61.300 -0.034 0.000 1.107 425 I CB -0.695 37.272 38.000 -0.054 0.000 1.014 425 I HN 0.294 nan 8.210 nan 0.000 0.400 426 G N 1.481 110.328 108.800 0.079 0.000 2.137 426 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.237 426 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.237 426 G C 0.250 175.252 174.900 0.169 0.000 1.002 426 G CA 0.081 45.283 45.100 0.170 0.000 0.702 426 G HN 0.448 nan 8.290 nan 0.000 0.515 427 Q N -0.477 119.394 119.800 0.118 0.000 2.566 427 Q HA 0.553 4.893 4.340 -0.001 0.000 0.221 427 Q C -0.755 175.366 176.000 0.203 0.000 1.195 427 Q CA -0.748 55.117 55.803 0.105 0.000 0.967 427 Q CB -0.005 28.749 28.738 0.026 0.000 1.337 427 Q HN 0.452 nan 8.270 nan 0.000 0.553 428 W N 3.386 124.689 121.300 0.004 0.000 3.800 428 W HA 0.295 4.954 4.660 -0.001 0.000 0.299 428 W C -1.952 174.574 176.519 0.012 0.000 1.231 428 W CA -1.215 56.137 57.345 0.013 0.000 1.232 428 W CB 1.411 30.890 29.460 0.030 0.000 1.291 428 W HN 0.371 nan 8.180 nan 0.000 0.514 429 D N 5.149 125.653 120.400 0.173 0.000 2.428 429 D HA 0.227 4.866 4.640 -0.001 0.000 0.221 429 D C -0.193 175.956 176.300 -0.252 0.000 1.123 429 D CA -0.232 53.746 54.000 -0.035 0.000 0.869 429 D CB 0.667 41.479 40.800 0.021 0.000 1.032 429 D HN 0.454 nan 8.370 nan 0.000 0.506 430 R N 2.776 122.975 120.500 -0.503 0.000 2.532 430 R HA 0.327 4.667 4.340 -0.001 0.000 0.272 430 R C 0.382 176.489 176.300 -0.322 0.000 1.032 430 R CA -0.318 55.353 56.100 -0.716 0.000 1.089 430 R CB 1.123 30.826 30.300 -0.995 0.000 1.098 430 R HN 0.152 nan 8.270 nan 0.000 0.526 431 K N 0.129 120.392 120.400 -0.227 0.000 2.603 431 K HA 0.040 4.359 4.320 -0.001 0.000 0.205 431 K C 0.593 177.142 176.600 -0.086 0.000 1.500 431 K CA 0.710 56.927 56.287 -0.117 0.000 1.059 431 K CB 0.314 32.778 32.500 -0.059 0.000 1.416 431 K HN 0.769 nan 8.250 nan 0.000 0.562 432 D N 1.063 121.415 120.400 -0.080 0.000 2.311 432 D HA -0.125 4.515 4.640 -0.001 0.000 0.212 432 D C 0.528 176.799 176.300 -0.048 0.000 0.972 432 D CA 0.763 54.738 54.000 -0.041 0.000 0.887 432 D CB -0.270 40.522 40.800 -0.013 0.000 0.915 432 D HN 0.357 nan 8.370 nan 0.000 0.497 433 I N -3.291 117.233 120.570 -0.078 0.000 2.646 433 I HA 0.398 4.568 4.170 -0.001 0.000 0.299 433 I C -0.293 175.792 176.117 -0.053 0.000 1.036 433 I CA -1.658 59.609 61.300 -0.056 0.000 1.074 433 I CB 1.945 39.913 38.000 -0.054 0.000 1.258 433 I HN -0.329 nan 8.210 nan 0.000 0.430 434 K N 2.816 123.197 120.400 -0.031 0.000 2.270 434 K HA 0.259 4.579 4.320 -0.001 0.000 0.276 434 K C -0.144 176.443 176.600 -0.022 0.000 1.023 434 K CA -0.623 55.649 56.287 -0.025 0.000 0.955 434 K CB 0.754 33.246 32.500 -0.013 0.000 0.975 434 K HN 0.597 nan 8.250 nan 0.000 0.471 435 K N 1.577 121.964 120.400 -0.021 0.000 2.436 435 K HA 0.073 4.392 4.320 -0.001 0.000 0.275 435 K C 0.732 177.336 176.600 0.006 0.000 0.999 435 K CA 1.677 57.959 56.287 -0.009 0.000 0.980 435 K CB 0.393 32.888 32.500 -0.008 0.000 0.919 435 K HN 0.800 nan 8.250 nan 0.000 0.484 436 G N 2.354 111.166 108.800 0.020 0.000 2.258 436 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.233 436 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.233 436 G C -0.200 174.722 174.900 0.036 0.000 1.006 436 G CA 0.069 45.187 45.100 0.030 0.000 0.620 436 G HN 0.619 nan 8.290 nan 0.000 0.511 437 E N 1.161 121.375 120.200 0.023 0.000 2.481 437 E HA 0.168 4.518 4.350 -0.001 0.000 0.263 437 E C 0.372 176.995 176.600 0.037 0.000 0.992 437 E CA 0.409 56.821 56.400 0.021 0.000 0.938 437 E CB 0.539 30.244 29.700 0.007 0.000 0.933 437 E HN 0.379 nan 8.360 nan 0.000 0.453 438 K N 3.865 124.280 120.400 0.026 0.000 2.248 438 K HA 0.106 4.426 4.320 -0.001 0.000 0.281 438 K C -0.575 176.008 176.600 -0.028 0.000 1.054 438 K CA -0.326 55.968 56.287 0.012 0.000 0.903 438 K CB 0.338 32.835 32.500 -0.006 0.000 1.077 438 K HN 0.561 nan 8.250 nan 0.000 0.474 439 N N 1.526 120.211 118.700 -0.024 0.000 2.823 439 N HA 0.162 4.902 4.740 -0.001 0.000 0.251 439 N C -1.574 173.952 175.510 0.026 0.000 1.392 439 N CA -0.702 52.343 53.050 -0.009 0.000 0.864 439 N CB 1.777 40.277 38.487 0.022 0.000 1.481 439 N HN 0.200 nan 8.380 nan 0.000 0.508 440 T N 1.270 115.862 114.554 0.063 0.000 2.794 440 T HA 0.574 4.923 4.350 -0.001 0.000 0.280 440 T C 0.276 175.058 174.700 0.136 0.000 0.987 440 T CA -0.634 61.554 62.100 0.146 0.000 0.993 440 T CB 0.246 69.223 68.868 0.182 0.000 0.939 440 T HN 0.503 nan 8.240 nan 0.000 0.449 441 I N 0.172 120.832 120.570 0.150 0.000 2.797 441 I HA 0.925 5.094 4.170 -0.001 0.000 0.307 441 I C -1.114 175.083 176.117 0.133 0.000 1.033 441 I CA -1.222 60.160 61.300 0.136 0.000 1.071 441 I CB 1.952 40.048 38.000 0.160 0.000 1.255 441 I HN 0.231 nan 8.210 nan 0.000 0.445 442 V N 2.456 122.417 119.914 0.078 0.000 2.577 442 V HA 0.593 4.713 4.120 -0.001 0.000 0.303 442 V C 0.005 176.063 176.094 -0.061 0.000 1.042 442 V CA -0.120 62.214 62.300 0.056 0.000 0.872 442 V CB 2.117 33.965 31.823 0.042 0.000 0.998 442 V HN 1.047 nan 8.190 nan 0.000 0.423 443 T N 0.164 114.626 114.554 -0.154 0.000 2.916 443 T HA 0.456 4.806 4.350 -0.001 0.000 0.292 443 T C 0.480 175.020 174.700 -0.266 0.000 1.064 443 T CA 0.008 61.855 62.100 -0.420 0.000 1.011 443 T CB 1.927 70.298 68.868 -0.828 0.000 1.152 443 T HN 0.732 nan 8.240 nan 0.000 0.510 444 S N 0.459 115.982 115.700 -0.296 0.000 2.602 444 S HA 0.296 4.766 4.470 -0.001 0.000 0.246 444 S C -0.154 174.509 174.600 0.104 0.000 1.009 444 S CA -0.691 57.480 58.200 -0.048 0.000 1.052 444 S CB -0.935 62.277 63.200 0.020 0.000 0.778 444 S HN 0.613 nan 8.310 nan 0.000 0.455 445 Y N 2.933 123.215 120.300 -0.029 0.000 2.707 445 Y HA 0.430 4.979 4.550 -0.001 0.000 0.409 445 Y C 1.713 177.581 175.900 -0.053 0.000 1.343 445 Y CA -1.321 56.744 58.100 -0.058 0.000 1.663 445 Y CB -0.251 38.172 38.460 -0.062 0.000 1.678 445 Y HN 0.395 nan 8.280 nan 0.000 0.687 446 N N -0.001 118.771 118.700 0.120 0.000 2.820 446 N HA 0.082 4.821 4.740 -0.001 0.000 0.236 446 N C 0.135 175.718 175.510 0.121 0.000 1.023 446 N CA -0.159 52.921 53.050 0.049 0.000 1.062 446 N CB -0.146 38.276 38.487 -0.109 0.000 1.582 446 N HN 0.351 nan 8.380 nan 0.000 0.485 447 R N 1.183 121.784 120.500 0.168 0.000 2.390 447 R HA 0.237 4.576 4.340 -0.001 0.000 0.291 447 R C -0.684 175.764 176.300 0.247 0.000 1.070 447 R CA -0.109 56.178 56.100 0.310 0.000 1.014 447 R CB 0.222 30.710 30.300 0.314 0.000 1.007 447 R HN 0.462 nan 8.270 nan 0.000 0.466 448 N N 4.410 123.214 118.700 0.173 0.000 2.451 448 N HA 0.051 4.790 4.740 -0.001 0.000 0.271 448 N C -1.119 174.365 175.510 -0.043 0.000 1.410 448 N CA -0.469 52.584 53.050 0.004 0.000 0.884 448 N CB -0.123 38.252 38.487 -0.188 0.000 1.332 448 N HN 0.295 nan 8.380 nan 0.000 0.498 449 F N 1.425 121.390 119.950 0.026 0.000 2.553 449 F HA 0.112 4.639 4.527 -0.001 0.000 0.356 449 F C 1.369 177.230 175.800 0.102 0.000 1.142 449 F CA 0.163 58.202 58.000 0.065 0.000 1.322 449 F CB 0.469 39.496 39.000 0.045 0.000 1.126 449 F HN -0.128 nan 8.300 nan 0.000 0.599 450 T N 2.713 117.443 114.554 0.294 0.000 2.822 450 T HA 0.258 4.608 4.350 -0.001 0.000 0.288 450 T C 1.021 175.824 174.700 0.172 0.000 0.991 450 T CA 1.179 63.434 62.100 0.260 0.000 1.176 450 T CB -0.145 68.803 68.868 0.133 0.000 0.951 450 T HN 1.043 nan 8.240 nan 0.000 0.526 451 G N 3.129 112.029 108.800 0.167 0.000 2.184 451 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.264 451 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.264 451 G C 1.136 176.113 174.900 0.128 0.000 0.975 451 G CA 0.630 45.807 45.100 0.127 0.000 0.642 451 G HN 0.670 nan 8.290 nan 0.000 0.536 452 R N 0.975 121.566 120.500 0.153 0.000 2.070 452 R HA 0.010 4.350 4.340 -0.001 0.000 0.233 452 R C 2.158 178.560 176.300 0.170 0.000 1.137 452 R CA 2.675 58.866 56.100 0.152 0.000 0.945 452 R CB -0.943 29.471 30.300 0.189 0.000 0.845 452 R HN 0.630 nan 8.270 nan 0.000 0.430 453 N N -0.798 118.025 118.700 0.205 0.000 2.333 453 N HA -0.041 4.698 4.740 -0.001 0.000 0.178 453 N C -0.014 175.709 175.510 0.356 0.000 1.018 453 N CA 1.154 54.376 53.050 0.286 0.000 0.882 453 N CB 0.270 38.950 38.487 0.322 0.000 0.984 453 N HN 0.437 nan 8.380 nan 0.000 0.434 454 D N -1.335 119.208 120.400 0.237 0.000 2.516 454 D HA 0.289 4.929 4.640 -0.001 0.000 0.241 454 D C 0.252 176.593 176.300 0.068 0.000 1.246 454 D CA -0.041 54.036 54.000 0.128 0.000 0.808 454 D CB -0.080 40.703 40.800 -0.030 0.000 1.147 454 D HN 0.039 nan 8.370 nan 0.000 0.527 455 A N 0.350 123.228 122.820 0.097 0.000 2.872 455 A HA -0.268 4.051 4.320 -0.001 0.000 0.273 455 A C 0.122 177.744 177.584 0.064 0.000 1.442 455 A CA 0.745 52.830 52.037 0.081 0.000 0.801 455 A CB -2.707 16.337 19.000 0.072 0.000 1.031 455 A HN 0.403 nan 8.150 nan 0.000 0.582 456 N N 0.059 118.801 118.700 0.070 0.000 2.439 456 N HA 0.455 5.195 4.740 -0.001 0.000 0.249 456 N C -0.686 174.883 175.510 0.099 0.000 1.003 456 N CA -1.837 51.252 53.050 0.066 0.000 0.942 456 N CB 1.142 39.662 38.487 0.055 0.000 1.115 456 N HN 0.185 nan 8.380 nan 0.000 0.505 457 P HA -0.127 nan 4.420 nan 0.000 0.218 457 P C 0.301 177.657 177.300 0.094 0.000 1.148 457 P CA 1.150 64.291 63.100 0.068 0.000 0.822 457 P CB 0.586 32.307 31.700 0.036 0.000 0.784 458 E N -0.671 119.612 120.200 0.138 0.000 2.479 458 E HA 0.074 4.424 4.350 -0.001 0.000 0.193 458 E C 0.129 176.963 176.600 0.391 0.000 1.049 458 E CA 0.180 56.729 56.400 0.248 0.000 0.870 458 E CB -0.342 29.470 29.700 0.187 0.000 0.944 458 E HN 0.156 nan 8.360 nan 0.000 0.492 459 T N 1.854 116.578 114.554 0.282 0.000 2.779 459 T HA 0.092 4.441 4.350 -0.001 0.000 0.296 459 T C -0.322 174.549 174.700 0.285 0.000 0.938 459 T CA -0.129 62.123 62.100 0.254 0.000 1.119 459 T CB 0.109 69.066 68.868 0.148 0.000 0.891 459 T HN 0.020 nan 8.240 nan 0.000 0.526 460 H N 1.889 120.940 119.070 -0.031 0.000 2.604 460 H HA 0.587 5.142 4.556 -0.001 0.000 0.306 460 H C 0.111 175.161 175.328 -0.462 0.000 1.075 460 H CA -0.760 55.025 56.048 -0.439 0.000 1.357 460 H CB 0.496 30.052 29.762 -0.345 0.000 1.426 460 H HN 0.720 nan 8.280 nan 0.000 0.470 461 A N 3.970 126.426 122.820 -0.607 0.000 2.365 461 A HA 0.705 5.024 4.320 -0.001 0.000 0.318 461 A C -1.217 175.998 177.584 -0.615 0.000 1.091 461 A CA -0.609 51.202 52.037 -0.377 0.000 0.763 461 A CB 0.758 19.655 19.000 -0.171 0.000 1.248 461 A HN 0.502 nan 8.150 nan 0.000 0.442 462 F N 1.102 120.934 119.950 -0.195 0.000 2.540 462 F HA 0.553 5.080 4.527 -0.001 0.000 0.317 462 F C 0.224 175.959 175.800 -0.107 0.000 1.104 462 F CA -0.761 57.142 58.000 -0.162 0.000 0.913 462 F CB 2.525 41.446 39.000 -0.133 0.000 1.170 462 F HN 0.506 nan 8.300 nan 0.000 0.450 463 V N -0.192 119.772 119.914 0.083 0.000 2.513 463 V HA 0.938 5.057 4.120 -0.001 0.000 0.299 463 V C -0.502 175.636 176.094 0.073 0.000 1.035 463 V CA -0.065 62.261 62.300 0.043 0.000 0.889 463 V CB 1.247 33.089 31.823 0.031 0.000 0.988 463 V HN 0.912 nan 8.190 nan 0.000 0.440 464 T N 2.280 116.864 114.554 0.051 0.000 2.630 464 T HA 0.538 4.887 4.350 -0.001 0.000 0.300 464 T C -0.150 174.581 174.700 0.052 0.000 1.261 464 T CA 0.252 62.392 62.100 0.066 0.000 1.060 464 T CB 1.416 70.323 68.868 0.066 0.000 1.670 464 T HN 1.580 nan 8.240 nan 0.000 0.473 465 S N 1.703 117.442 115.700 0.064 0.000 2.610 465 S HA 0.462 4.932 4.470 -0.001 0.000 0.273 465 S C -1.664 172.972 174.600 0.061 0.000 1.274 465 S CA -0.894 57.341 58.200 0.058 0.000 1.023 465 S CB 1.247 64.490 63.200 0.071 0.000 0.962 465 S HN 0.625 nan 8.310 nan 0.000 0.523 466 P HA -0.225 nan 4.420 nan 0.000 0.215 466 P C 1.477 178.833 177.300 0.093 0.000 1.157 466 P CA 1.563 64.701 63.100 0.064 0.000 0.868 466 P CB -0.111 31.611 31.700 0.037 0.000 0.788 467 E N 0.188 120.434 120.200 0.076 0.000 2.130 467 E HA -0.174 4.175 4.350 -0.001 0.000 0.196 467 E C 2.079 178.818 176.600 0.232 0.000 0.998 467 E CA 1.214 57.680 56.400 0.111 0.000 0.806 467 E CB -1.083 28.630 29.700 0.022 0.000 0.738 467 E HN 0.223 nan 8.360 nan 0.000 0.459 468 I N 1.396 122.097 120.570 0.218 0.000 2.439 468 I HA -0.130 4.040 4.170 -0.001 0.000 0.251 468 I C 2.623 178.801 176.117 0.101 0.000 1.139 468 I CA 0.470 61.878 61.300 0.180 0.000 1.438 468 I CB -0.718 37.355 38.000 0.122 0.000 1.085 468 I HN -0.015 nan 8.210 nan 0.000 0.427 469 V N 0.958 120.927 119.914 0.092 0.000 2.343 469 V HA -0.256 3.863 4.120 -0.001 0.000 0.247 469 V C 2.563 178.687 176.094 0.051 0.000 1.051 469 V CA 2.222 64.566 62.300 0.074 0.000 1.036 469 V CB -1.036 30.847 31.823 0.101 0.000 0.654 469 V HN 0.417 nan 8.190 nan 0.000 0.451 470 T N 0.507 115.105 114.554 0.073 0.000 2.674 470 T HA -0.163 4.186 4.350 -0.001 0.000 0.265 470 T C 2.106 176.758 174.700 -0.080 0.000 1.039 470 T CA 1.692 63.750 62.100 -0.069 0.000 1.150 470 T CB -0.521 68.387 68.868 0.067 0.000 0.864 470 T HN 0.560 nan 8.240 nan 0.000 0.427 471 A N 1.305 124.172 122.820 0.078 0.000 1.883 471 A HA -0.030 4.289 4.320 -0.001 0.000 0.217 471 A C 2.289 179.910 177.584 0.061 0.000 1.186 471 A CA 1.393 53.503 52.037 0.122 0.000 0.624 471 A CB -0.933 18.197 19.000 0.218 0.000 0.822 471 A HN 0.495 nan 8.150 nan 0.000 0.444 472 L N -1.051 120.203 121.223 0.053 0.000 2.291 472 L HA -0.079 4.261 4.340 -0.001 0.000 0.214 472 L C 2.930 179.759 176.870 -0.068 0.000 1.120 472 L CA 0.632 55.492 54.840 0.033 0.000 0.799 472 L CB -0.417 41.647 42.059 0.009 0.000 0.925 472 L HN 0.443 nan 8.230 nan 0.000 0.446 473 A N 0.469 123.210 122.820 -0.132 0.000 1.929 473 A HA -0.110 4.209 4.320 -0.001 0.000 0.216 473 A C 2.158 179.606 177.584 -0.227 0.000 1.176 473 A CA 1.244 53.155 52.037 -0.209 0.000 0.628 473 A CB -0.443 18.278 19.000 -0.465 0.000 0.816 473 A HN 0.315 nan 8.150 nan 0.000 0.444 474 I N -0.107 120.315 120.570 -0.246 0.000 2.315 474 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 474 I C 2.841 178.806 176.117 -0.253 0.000 1.117 474 I CA 1.037 62.204 61.300 -0.222 0.000 1.404 474 I CB -0.195 37.688 38.000 -0.194 0.000 1.071 474 I HN 0.306 nan 8.210 nan 0.000 0.419 475 A N 0.248 122.876 122.820 -0.320 0.000 1.930 475 A HA 0.059 4.378 4.320 -0.001 0.000 0.217 475 A C 2.230 179.680 177.584 -0.223 0.000 1.175 475 A CA 1.405 53.187 52.037 -0.425 0.000 0.627 475 A CB -1.069 17.667 19.000 -0.440 0.000 0.815 475 A HN 0.558 nan 8.150 nan 0.000 0.443 476 G N -2.270 106.445 108.800 -0.142 0.000 2.189 476 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.267 476 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.267 476 G C 0.486 175.350 174.900 -0.060 0.000 0.975 476 G CA 1.258 46.307 45.100 -0.086 0.000 0.644 476 G HN 1.401 nan 8.290 nan 0.000 0.537 477 T N -1.019 113.504 114.554 -0.053 0.000 2.916 477 T HA 0.560 4.909 4.350 -0.001 0.000 0.305 477 T C 1.164 175.848 174.700 -0.026 0.000 1.119 477 T CA -0.423 61.658 62.100 -0.031 0.000 1.008 477 T CB 1.176 70.029 68.868 -0.025 0.000 1.129 477 T HN 0.270 nan 8.240 nan 0.000 0.480 478 L N 2.607 123.787 121.223 -0.071 0.000 2.633 478 L HA 0.117 4.457 4.340 -0.001 0.000 0.235 478 L C 2.152 178.961 176.870 -0.101 0.000 1.163 478 L CA 0.504 55.261 54.840 -0.138 0.000 0.859 478 L CB -0.178 41.738 42.059 -0.238 0.000 0.973 478 L HN 0.452 nan 8.230 nan 0.000 0.451 479 K N 0.324 120.698 120.400 -0.044 0.000 2.296 479 K HA -0.027 4.292 4.320 -0.001 0.000 0.200 479 K C 0.449 177.044 176.600 -0.007 0.000 1.048 479 K CA 0.284 56.551 56.287 -0.034 0.000 0.966 479 K CB -0.085 32.406 32.500 -0.014 0.000 0.754 479 K HN 0.093 nan 8.250 nan 0.000 0.466 480 F N 1.167 121.029 119.950 -0.147 0.000 2.399 480 F HA 0.262 4.788 4.527 -0.001 0.000 0.342 480 F C -0.027 175.649 175.800 -0.206 0.000 1.106 480 F CA -0.743 57.156 58.000 -0.168 0.000 1.196 480 F CB 0.579 39.475 39.000 -0.173 0.000 1.163 480 F HN -0.091 nan 8.300 nan 0.000 0.547 481 N N 7.238 125.326 118.700 -1.020 0.000 2.569 481 N HA 0.359 5.098 4.740 -0.001 0.000 0.254 481 N C -2.331 172.377 175.510 -1.337 0.000 1.004 481 N CA -2.572 49.921 53.050 -0.929 0.000 0.904 481 N CB 1.662 39.826 38.487 -0.539 0.000 1.165 481 N HN 0.200 nan 8.380 nan 0.000 0.513 482 P HA -0.178 nan 4.420 nan 0.000 0.216 482 P C 0.684 177.292 177.300 -1.154 0.000 1.150 482 P CA 1.329 63.604 63.100 -1.375 0.000 0.843 482 P CB 0.319 31.148 31.700 -1.452 0.000 0.787 483 E N -2.226 117.347 120.200 -1.046 0.000 2.447 483 E HA 0.004 4.354 4.350 -0.001 0.000 0.195 483 E C 0.953 177.295 176.600 -0.429 0.000 1.028 483 E CA 0.835 56.795 56.400 -0.734 0.000 0.876 483 E CB -0.327 28.984 29.700 -0.648 0.000 0.885 483 E HN 0.085 nan 8.360 nan 0.000 0.500 484 T N 0.457 114.729 114.554 -0.471 0.000 3.234 484 T HA 0.034 4.384 4.350 -0.001 0.000 0.235 484 T C -0.007 174.474 174.700 -0.365 0.000 0.971 484 T CA 0.204 62.105 62.100 -0.331 0.000 1.292 484 T CB -0.090 68.614 68.868 -0.273 0.000 0.994 484 T HN 0.119 nan 8.240 nan 0.000 0.412 485 D N 0.769 120.929 120.400 -0.400 0.000 2.364 485 D HA 0.215 4.855 4.640 -0.001 0.000 0.236 485 D C -0.629 175.541 176.300 -0.216 0.000 1.221 485 D CA 0.444 54.328 54.000 -0.193 0.000 0.891 485 D CB 0.244 40.962 40.800 -0.136 0.000 1.190 485 D HN 0.116 nan 8.370 nan 0.000 0.449 486 F N -0.373 119.592 119.950 0.024 0.000 2.470 486 F HA 0.469 4.995 4.527 -0.001 0.000 0.329 486 F C 0.331 176.047 175.800 -0.140 0.000 1.072 486 F CA -0.770 57.177 58.000 -0.090 0.000 0.989 486 F CB 1.009 39.957 39.000 -0.086 0.000 1.193 486 F HN -0.059 nan 8.300 nan 0.000 0.481 487 L N 1.145 122.230 121.223 -0.230 0.000 2.354 487 L HA 0.489 4.829 4.340 -0.001 0.000 0.269 487 L C -0.582 176.187 176.870 -0.169 0.000 1.005 487 L CA -0.700 53.934 54.840 -0.343 0.000 0.819 487 L CB 2.378 44.056 42.059 -0.636 0.000 1.311 487 L HN 0.519 nan 8.230 nan 0.000 0.423 488 T N 1.672 116.182 114.554 -0.074 0.000 2.727 488 T HA 0.364 4.714 4.350 -0.001 0.000 0.298 488 T C 0.339 175.084 174.700 0.075 0.000 0.942 488 T CA -0.457 61.657 62.100 0.023 0.000 0.997 488 T CB 1.013 69.882 68.868 0.003 0.000 0.917 488 T HN 0.696 nan 8.240 nan 0.000 0.487 489 G N 1.614 110.530 108.800 0.193 0.000 2.420 489 G HA2 0.267 4.227 3.960 -0.001 0.000 0.284 489 G HA3 0.267 4.227 3.960 -0.001 0.000 0.284 489 G C 0.930 175.914 174.900 0.139 0.000 1.177 489 G CA -0.697 44.546 45.100 0.239 0.000 0.841 489 G HN 0.746 nan 8.290 nan 0.000 0.527 490 K N 0.588 121.050 120.400 0.104 0.000 2.304 490 K HA -0.180 4.140 4.320 -0.001 0.000 0.204 490 K C 1.172 177.802 176.600 0.050 0.000 1.044 490 K CA 1.831 58.155 56.287 0.061 0.000 0.932 490 K CB 0.092 32.620 32.500 0.046 0.000 0.735 490 K HN 0.679 nan 8.250 nan 0.000 0.468 491 D N -1.363 119.073 120.400 0.061 0.000 2.370 491 D HA 0.041 4.681 4.640 -0.001 0.000 0.230 491 D C 1.078 177.413 176.300 0.057 0.000 1.143 491 D CA 0.645 54.674 54.000 0.048 0.000 0.834 491 D CB 0.043 40.868 40.800 0.042 0.000 0.944 491 D HN 0.374 nan 8.370 nan 0.000 0.504 492 G N 0.919 109.756 108.800 0.062 0.000 2.343 492 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.264 492 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.264 492 G C 0.556 175.502 174.900 0.076 0.000 0.989 492 G CA 0.933 46.066 45.100 0.056 0.000 0.627 492 G HN 0.493 nan 8.290 nan 0.000 0.549 493 K N 0.123 120.589 120.400 0.110 0.000 2.187 493 K HA 0.419 4.738 4.320 -0.001 0.000 0.247 493 K C 0.415 177.130 176.600 0.191 0.000 1.019 493 K CA -0.107 56.261 56.287 0.135 0.000 0.893 493 K CB 0.266 32.866 32.500 0.167 0.000 1.025 493 K HN -0.013 nan 8.250 nan 0.000 0.500 494 K N 1.265 121.775 120.400 0.184 0.000 2.123 494 K HA 0.464 4.784 4.320 -0.001 0.000 0.259 494 K C -0.406 176.462 176.600 0.447 0.000 0.960 494 K CA -0.388 56.040 56.287 0.235 0.000 0.872 494 K CB 0.926 33.442 32.500 0.026 0.000 1.079 494 K HN 0.588 nan 8.250 nan 0.000 0.440 495 F N -1.457 118.657 119.950 0.272 0.000 2.741 495 F HA 0.579 5.106 4.527 -0.001 0.000 0.313 495 F C -1.195 174.581 175.800 -0.041 0.000 1.153 495 F CA -1.363 56.726 58.000 0.148 0.000 0.931 495 F CB 1.334 40.289 39.000 -0.074 0.000 1.335 495 F HN 0.347 nan 8.300 nan 0.000 0.460 496 K N 1.675 121.933 120.400 -0.236 0.000 2.375 496 K HA 0.703 5.023 4.320 -0.001 0.000 0.249 496 K C -1.657 174.873 176.600 -0.118 0.000 0.942 496 K CA -0.895 55.095 56.287 -0.494 0.000 0.806 496 K CB 2.514 34.601 32.500 -0.688 0.000 1.227 496 K HN 0.865 nan 8.250 nan 0.000 0.430 497 L N 2.232 123.394 121.223 -0.101 0.000 2.453 497 L HA 0.109 4.449 4.340 -0.001 0.000 0.272 497 L C 0.551 177.600 176.870 0.299 0.000 1.182 497 L CA -0.027 54.926 54.840 0.188 0.000 0.858 497 L CB 0.481 42.711 42.059 0.286 0.000 1.120 497 L HN 0.772 nan 8.230 nan 0.000 0.474 498 E N 2.818 123.186 120.200 0.281 0.000 2.266 498 E HA 0.429 4.779 4.350 -0.001 0.000 0.277 498 E C -0.493 176.171 176.600 0.107 0.000 1.018 498 E CA -0.920 55.598 56.400 0.196 0.000 0.840 498 E CB 1.455 31.229 29.700 0.123 0.000 1.082 498 E HN 0.666 nan 8.360 nan 0.000 0.395 499 A N 5.938 128.720 122.820 -0.063 0.000 2.548 499 A HA 0.194 4.513 4.320 -0.001 0.000 0.247 499 A C -2.040 175.158 177.584 -0.643 0.000 1.067 499 A CA -1.025 50.499 52.037 -0.855 0.000 0.757 499 A CB -0.281 18.355 19.000 -0.606 0.000 0.996 499 A HN 0.535 nan 8.150 nan 0.000 0.504 500 P HA 0.111 nan 4.420 nan 0.000 0.268 500 P C -1.116 176.023 177.300 -0.269 0.000 1.204 500 P CA 0.019 62.871 63.100 -0.414 0.000 0.768 500 P CB 0.715 32.170 31.700 -0.407 0.000 0.842 501 D N 1.821 122.115 120.400 -0.177 0.000 2.381 501 D HA 0.552 5.191 4.640 -0.001 0.000 0.235 501 D C -0.789 175.459 176.300 -0.086 0.000 1.068 501 D CA -0.775 53.161 54.000 -0.106 0.000 0.832 501 D CB 1.896 42.654 40.800 -0.070 0.000 1.101 501 D HN 0.405 nan 8.370 nan 0.000 0.515 502 A N 2.549 125.331 122.820 -0.064 0.000 2.605 502 A HA 0.373 4.693 4.320 -0.001 0.000 0.294 502 A C -1.141 176.462 177.584 0.033 0.000 1.062 502 A CA -0.951 51.066 52.037 -0.034 0.000 0.682 502 A CB 1.323 20.249 19.000 -0.123 0.000 1.278 502 A HN 0.368 nan 8.150 nan 0.000 0.410 503 D N 1.137 121.608 120.400 0.118 0.000 2.525 503 D HA 0.056 4.695 4.640 -0.001 0.000 0.235 503 D C 1.168 177.597 176.300 0.215 0.000 1.137 503 D CA 0.492 54.602 54.000 0.183 0.000 0.868 503 D CB 1.104 42.092 40.800 0.313 0.000 1.180 503 D HN 0.708 nan 8.370 nan 0.000 0.465 504 E N 1.842 122.132 120.200 0.149 0.000 2.046 504 E HA -0.055 4.295 4.350 -0.001 0.000 0.190 504 E C 0.011 176.753 176.600 0.237 0.000 0.982 504 E CA 0.762 57.253 56.400 0.152 0.000 0.800 504 E CB 0.302 30.055 29.700 0.088 0.000 0.756 504 E HN 0.386 nan 8.360 nan 0.000 0.449 505 L N 0.392 121.681 121.223 0.110 0.000 2.393 505 L HA 0.437 4.777 4.340 -0.001 0.000 0.260 505 L C -2.477 174.120 176.870 -0.455 0.000 1.002 505 L CA -2.585 52.169 54.840 -0.144 0.000 0.818 505 L CB 2.154 44.145 42.059 -0.112 0.000 1.369 505 L HN -0.107 nan 8.230 nan 0.000 0.412 506 P HA 0.114 nan 4.420 nan 0.000 0.267 506 P C -0.077 176.972 177.300 -0.418 0.000 1.200 506 P CA -0.309 62.276 63.100 -0.858 0.000 0.772 506 P CB 0.796 31.826 31.700 -1.115 0.000 0.855 507 R N 3.163 123.522 120.500 -0.236 0.000 2.073 507 R HA -0.036 4.304 4.340 -0.001 0.000 0.234 507 R C 1.035 177.231 176.300 -0.173 0.000 1.134 507 R CA 1.722 57.737 56.100 -0.142 0.000 0.952 507 R CB -0.995 29.259 30.300 -0.076 0.000 0.850 507 R HN 0.634 nan 8.270 nan 0.000 0.433 508 A N 0.296 122.995 122.820 -0.202 0.000 2.260 508 A HA 0.271 4.590 4.320 -0.001 0.000 0.278 508 A C -0.295 177.130 177.584 -0.265 0.000 1.269 508 A CA -0.411 51.514 52.037 -0.187 0.000 0.824 508 A CB -0.008 18.902 19.000 -0.150 0.000 1.238 508 A HN 0.252 nan 8.150 nan 0.000 0.507 509 E N -1.180 118.902 120.200 -0.198 0.000 2.280 509 E HA 0.466 4.816 4.350 -0.001 0.000 0.261 509 E C -1.237 175.238 176.600 -0.208 0.000 1.088 509 E CA -0.414 55.866 56.400 -0.200 0.000 0.915 509 E CB 0.260 29.904 29.700 -0.094 0.000 1.141 509 E HN 0.351 nan 8.360 nan 0.000 0.433 510 F N 1.162 121.039 119.950 -0.121 0.000 2.427 510 F HA 0.063 4.589 4.527 -0.001 0.000 0.352 510 F C 1.154 176.919 175.800 -0.059 0.000 1.100 510 F CA -0.163 57.778 58.000 -0.098 0.000 1.191 510 F CB 0.555 39.498 39.000 -0.096 0.000 1.128 510 F HN 0.081 nan 8.300 nan 0.000 0.533 511 D N 6.001 126.517 120.400 0.193 0.000 2.343 511 D HA 0.091 4.731 4.640 -0.001 0.000 0.255 511 D C -1.678 174.680 176.300 0.097 0.000 1.187 511 D CA -1.517 52.547 54.000 0.107 0.000 0.875 511 D CB 1.585 42.437 40.800 0.086 0.000 1.136 511 D HN 0.230 nan 8.370 nan 0.000 0.469 512 P HA 0.137 nan 4.420 nan 0.000 0.245 512 P C 0.681 178.018 177.300 0.062 0.000 1.203 512 P CA 0.198 63.330 63.100 0.052 0.000 0.792 512 P CB 0.453 32.176 31.700 0.038 0.000 0.997 513 G N 0.576 109.407 108.800 0.052 0.000 2.796 513 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.226 513 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.226 513 G C -0.982 173.944 174.900 0.045 0.000 1.381 513 G CA -0.630 44.498 45.100 0.048 0.000 0.867 513 G HN 0.238 nan 8.290 nan 0.000 0.552 514 Q N -0.150 119.673 119.800 0.039 0.000 2.306 514 Q HA 0.518 4.858 4.340 -0.001 0.000 0.265 514 Q C 0.238 176.258 176.000 0.034 0.000 1.022 514 Q CA -0.010 55.813 55.803 0.033 0.000 0.853 514 Q CB 1.619 30.371 28.738 0.023 0.000 1.327 514 Q HN 0.860 nan 8.270 nan 0.000 0.449 515 D N -0.175 120.243 120.400 0.030 0.000 2.835 515 D HA -0.156 4.483 4.640 -0.001 0.000 0.230 515 D C 0.618 176.923 176.300 0.010 0.000 1.130 515 D CA 1.378 55.390 54.000 0.020 0.000 0.738 515 D CB -0.517 40.293 40.800 0.017 0.000 1.090 515 D HN 0.748 nan 8.370 nan 0.000 0.433 516 T N -3.275 111.287 114.554 0.014 0.000 3.009 516 T HA 0.044 4.393 4.350 -0.001 0.000 0.258 516 T C 0.567 175.175 174.700 -0.155 0.000 1.063 516 T CA 0.290 62.399 62.100 0.015 0.000 1.139 516 T CB 0.149 69.109 68.868 0.154 0.000 0.890 516 T HN 0.380 nan 8.240 nan 0.000 0.471 517 Y N 1.277 121.330 120.300 -0.412 0.000 2.499 517 Y HA 0.527 5.077 4.550 -0.001 0.000 0.347 517 Y C -0.722 174.982 175.900 -0.327 0.000 0.987 517 Y CA -1.439 56.253 58.100 -0.679 0.000 1.044 517 Y CB 1.931 39.731 38.460 -1.100 0.000 1.245 517 Y HN 0.039 nan 8.280 nan 0.000 0.461 518 Q N 5.682 125.032 119.800 -0.750 0.000 2.400 518 Q HA 0.252 4.591 4.340 -0.001 0.000 0.255 518 Q C -1.133 174.470 176.000 -0.662 0.000 1.008 518 Q CA -0.652 54.910 55.803 -0.402 0.000 0.841 518 Q CB 0.463 29.138 28.738 -0.104 0.000 1.220 518 Q HN 0.781 nan 8.270 nan 0.000 0.474 519 H N 4.558 123.505 119.070 -0.205 0.000 2.897 519 H HA 0.100 4.656 4.556 -0.001 0.000 0.347 519 H C -1.956 173.337 175.328 -0.059 0.000 1.068 519 H CA -0.798 55.266 56.048 0.026 0.000 1.426 519 H CB 0.646 30.514 29.762 0.176 0.000 1.410 519 H HN 0.561 nan 8.280 nan 0.000 0.597 520 P HA 0.091 nan 4.420 nan 0.000 0.275 520 P C -2.554 174.774 177.300 0.046 0.000 1.227 520 P CA -1.440 61.676 63.100 0.027 0.000 0.781 520 P CB 0.280 31.996 31.700 0.026 0.000 0.906 521 P HA 0.190 nan 4.420 nan 0.000 0.286 521 P C 0.586 177.874 177.300 -0.020 0.000 1.321 521 P CA -0.469 62.623 63.100 -0.013 0.000 0.790 521 P CB 0.895 32.577 31.700 -0.031 0.000 0.897 522 K N 2.388 122.776 120.400 -0.021 0.000 2.442 522 K HA -0.100 4.220 4.320 -0.001 0.000 0.199 522 K C 0.803 177.383 176.600 -0.033 0.000 1.044 522 K CA 0.759 57.029 56.287 -0.029 0.000 0.941 522 K CB -0.375 32.097 32.500 -0.046 0.000 0.759 522 K HN 0.443 nan 8.250 nan 0.000 0.472 523 D N 0.412 120.791 120.400 -0.035 0.000 1.544 523 D HA -0.115 4.525 4.640 -0.001 0.000 0.318 523 D C 0.103 176.378 176.300 -0.042 0.000 1.307 523 D CA 0.869 54.847 54.000 -0.036 0.000 1.092 523 D CB -0.405 40.373 40.800 -0.036 0.000 1.993 523 D HN -0.058 nan 8.370 nan 0.000 0.653 524 S N 0.740 116.411 115.700 -0.048 0.000 3.231 524 S HA -0.101 4.369 4.470 -0.001 0.000 0.170 524 S C 0.045 174.607 174.600 -0.064 0.000 0.424 524 S CA -0.062 58.105 58.200 -0.056 0.000 1.723 524 S CB -1.150 62.011 63.200 -0.065 0.000 0.872 524 S HN 0.224 nan 8.310 nan 0.000 0.408 525 S N 1.548 117.217 115.700 -0.052 0.000 3.106 525 S HA 0.364 4.833 4.470 -0.001 0.000 0.304 525 S C 1.245 175.814 174.600 -0.050 0.000 1.118 525 S CA -0.035 58.135 58.200 -0.049 0.000 1.403 525 S CB -0.300 62.878 63.200 -0.035 0.000 1.555 525 S HN 0.995 nan 8.310 nan 0.000 0.584 526 G N 0.887 109.649 108.800 -0.063 0.000 2.223 526 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.200 526 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.200 526 G C -0.419 174.441 174.900 -0.067 0.000 1.061 526 G CA -0.814 44.252 45.100 -0.056 0.000 0.790 526 G HN 0.575 nan 8.290 nan 0.000 0.498 527 Q N 0.714 120.457 119.800 -0.094 0.000 2.259 527 Q HA 0.772 5.112 4.340 -0.001 0.000 0.246 527 Q C 0.240 176.179 176.000 -0.102 0.000 0.920 527 Q CA -0.180 55.559 55.803 -0.107 0.000 0.895 527 Q CB 0.646 29.294 28.738 -0.151 0.000 1.220 527 Q HN 0.384 nan 8.270 nan 0.000 0.439 528 R N 2.019 122.473 120.500 -0.077 0.000 2.628 528 R HA 0.614 4.953 4.340 -0.001 0.000 0.288 528 R C -1.622 174.661 176.300 -0.028 0.000 0.980 528 R CA -0.732 55.340 56.100 -0.048 0.000 0.891 528 R CB 1.802 32.086 30.300 -0.026 0.000 1.188 528 R HN 0.486 nan 8.270 nan 0.000 0.450 529 V N 3.814 123.734 119.914 0.009 0.000 2.350 529 V HA 0.288 4.407 4.120 -0.001 0.000 0.285 529 V C -0.724 175.445 176.094 0.126 0.000 1.014 529 V CA -0.592 61.749 62.300 0.068 0.000 0.831 529 V CB 1.657 33.535 31.823 0.092 0.000 1.000 529 V HN 0.693 nan 8.190 nan 0.000 0.433 530 D N 4.010 124.489 120.400 0.132 0.000 2.446 530 D HA 0.244 4.884 4.640 -0.001 0.000 0.251 530 D C -0.372 175.985 176.300 0.095 0.000 1.137 530 D CA -0.185 53.874 54.000 0.099 0.000 0.890 530 D CB 2.419 43.253 40.800 0.057 0.000 1.071 530 D HN 0.242 nan 8.370 nan 0.000 0.528 531 V N 2.219 122.179 119.914 0.077 0.000 2.450 531 V HA -0.070 4.050 4.120 -0.001 0.000 0.281 531 V C 1.065 177.167 176.094 0.013 0.000 1.019 531 V CA 0.276 62.579 62.300 0.005 0.000 1.062 531 V CB 1.089 32.877 31.823 -0.058 0.000 0.979 531 V HN 0.453 nan 8.190 nan 0.000 0.477 532 S N 7.298 123.008 115.700 0.016 0.000 2.563 532 S HA 0.040 4.510 4.470 -0.001 0.000 0.294 532 S C -0.917 173.693 174.600 0.017 0.000 1.279 532 S CA -0.736 57.475 58.200 0.018 0.000 1.069 532 S CB 0.716 63.928 63.200 0.020 0.000 0.828 532 S HN 0.645 nan 8.310 nan 0.000 0.497 533 P HA -0.133 nan 4.420 nan 0.000 0.217 533 P C 1.012 178.331 177.300 0.032 0.000 1.162 533 P CA 1.827 64.936 63.100 0.016 0.000 0.901 533 P CB -0.043 31.666 31.700 0.014 0.000 0.793 534 T N -5.336 109.241 114.554 0.038 0.000 3.243 534 T HA 0.248 4.598 4.350 -0.001 0.000 0.264 534 T C 0.454 175.189 174.700 0.059 0.000 1.000 534 T CA -0.486 61.646 62.100 0.053 0.000 0.901 534 T CB -0.725 68.164 68.868 0.035 0.000 1.083 534 T HN -0.041 nan 8.240 nan 0.000 0.559 535 S N 1.327 117.066 115.700 0.065 0.000 2.552 535 S HA 0.046 4.515 4.470 -0.001 0.000 0.289 535 S C 1.101 175.751 174.600 0.083 0.000 1.304 535 S CA -0.336 57.901 58.200 0.061 0.000 1.063 535 S CB 0.503 63.731 63.200 0.047 0.000 0.848 535 S HN 0.413 nan 8.310 nan 0.000 0.499 536 Q N 3.043 122.851 119.800 0.013 0.000 2.319 536 Q HA 0.222 4.561 4.340 -0.001 0.000 0.202 536 Q C 1.058 177.064 176.000 0.010 0.000 0.896 536 Q CA 0.167 55.901 55.803 -0.115 0.000 0.942 536 Q CB 0.290 29.015 28.738 -0.022 0.000 1.083 536 Q HN 0.641 nan 8.270 nan 0.000 0.510 537 R N -0.617 119.944 120.500 0.101 0.000 2.344 537 R HA 0.342 4.681 4.340 -0.001 0.000 0.209 537 R C 0.209 176.596 176.300 0.144 0.000 0.886 537 R CA 0.184 56.360 56.100 0.127 0.000 1.040 537 R CB 1.103 31.412 30.300 0.015 0.000 1.114 537 R HN 0.059 nan 8.270 nan 0.000 0.547 538 L N 0.820 122.126 121.223 0.138 0.000 2.464 538 L HA 0.423 4.762 4.340 -0.001 0.000 0.266 538 L C -0.884 175.971 176.870 -0.025 0.000 0.965 538 L CA -0.490 54.324 54.840 -0.044 0.000 0.833 538 L CB 2.749 44.617 42.059 -0.317 0.000 1.296 538 L HN -0.141 nan 8.230 nan 0.000 0.405 539 Q N 2.955 122.661 119.800 -0.157 0.000 2.309 539 Q HA 0.558 4.897 4.340 -0.001 0.000 0.273 539 Q C -1.653 174.222 176.000 -0.209 0.000 1.040 539 Q CA -0.719 54.941 55.803 -0.238 0.000 0.834 539 Q CB 2.419 30.814 28.738 -0.573 0.000 1.345 539 Q HN 0.575 nan 8.270 nan 0.000 0.414 540 L N 3.384 124.514 121.223 -0.155 0.000 2.461 540 L HA 0.240 4.580 4.340 -0.001 0.000 0.272 540 L C 0.060 176.837 176.870 -0.154 0.000 1.197 540 L CA -0.168 54.599 54.840 -0.121 0.000 0.836 540 L CB 0.265 42.278 42.059 -0.077 0.000 1.105 540 L HN 0.548 nan 8.230 nan 0.000 0.477 541 L N 2.215 123.345 121.223 -0.155 0.000 2.375 541 L HA 0.307 4.646 4.340 -0.001 0.000 0.271 541 L C 0.155 176.900 176.870 -0.209 0.000 1.107 541 L CA -0.087 54.624 54.840 -0.216 0.000 0.806 541 L CB 1.306 43.218 42.059 -0.244 0.000 1.146 541 L HN 0.621 nan 8.230 nan 0.000 0.447 542 E N 3.486 123.539 120.200 -0.246 0.000 2.187 542 E HA 0.429 4.779 4.350 -0.001 0.000 0.268 542 E C -2.411 174.018 176.600 -0.286 0.000 0.896 542 E CA -1.900 54.381 56.400 -0.198 0.000 0.766 542 E CB 1.651 31.277 29.700 -0.124 0.000 1.142 542 E HN 0.290 nan 8.360 nan 0.000 0.408 543 P HA 0.016 nan 4.420 nan 0.000 0.266 543 P C -1.040 176.186 177.300 -0.125 0.000 1.193 543 P CA 0.137 63.113 63.100 -0.207 0.000 0.770 543 P CB 0.209 31.852 31.700 -0.094 0.000 0.836 544 F N 1.159 121.097 119.950 -0.019 0.000 2.378 544 F HA 0.122 4.649 4.527 -0.001 0.000 0.319 544 F C 1.355 177.143 175.800 -0.020 0.000 1.155 544 F CA -0.829 57.164 58.000 -0.011 0.000 1.157 544 F CB 0.104 39.096 39.000 -0.013 0.000 1.252 544 F HN 0.354 nan 8.300 nan 0.000 0.550 545 D N 1.633 122.149 120.400 0.193 0.000 2.383 545 D HA 0.046 4.686 4.640 -0.001 0.000 0.252 545 D C -0.161 176.165 176.300 0.044 0.000 1.166 545 D CA -0.465 53.580 54.000 0.075 0.000 0.879 545 D CB 0.985 41.806 40.800 0.035 0.000 1.164 545 D HN 0.520 nan 8.370 nan 0.000 0.462 546 K N 2.428 122.841 120.400 0.023 0.000 2.440 546 K HA -0.053 4.266 4.320 -0.001 0.000 0.270 546 K C -0.319 176.277 176.600 -0.007 0.000 0.980 546 K CA -0.651 55.641 56.287 0.009 0.000 0.953 546 K CB 0.487 32.986 32.500 -0.001 0.000 0.925 546 K HN 0.533 nan 8.250 nan 0.000 0.497 547 W N 5.057 126.227 121.300 -0.216 0.000 2.210 547 W HA 0.004 4.663 4.660 -0.001 0.000 0.330 547 W C 0.393 176.823 176.519 -0.149 0.000 1.334 547 W CA -0.284 56.891 57.345 -0.283 0.000 1.227 547 W CB 0.435 29.595 29.460 -0.500 0.000 1.178 547 W HN 0.761 nan 8.180 nan 0.000 0.560 548 D N 3.037 123.036 120.400 -0.669 0.000 2.319 548 D HA 0.098 4.737 4.640 -0.001 0.000 0.230 548 D C 1.681 177.418 176.300 -0.939 0.000 1.094 548 D CA 0.500 54.120 54.000 -0.634 0.000 0.856 548 D CB -0.417 40.199 40.800 -0.306 0.000 0.915 548 D HN 0.790 nan 8.370 nan 0.000 0.517 549 G N -0.177 107.468 108.800 -1.925 0.000 2.302 549 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.263 549 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.263 549 G C 0.481 174.970 174.900 -0.686 0.000 0.995 549 G CA 0.791 45.020 45.100 -1.452 0.000 0.622 549 G HN 0.541 nan 8.290 nan 0.000 0.538 550 K N 0.638 120.805 120.400 -0.389 0.000 2.177 550 K HA 0.569 4.888 4.320 -0.001 0.000 0.238 550 K C 0.129 176.866 176.600 0.227 0.000 1.015 550 K CA -0.685 55.581 56.287 -0.034 0.000 0.922 550 K CB 0.586 33.049 32.500 -0.062 0.000 1.127 550 K HN 0.112 nan 8.250 nan 0.000 0.469 551 D N 0.386 120.875 120.400 0.149 0.000 2.433 551 D HA 0.201 4.840 4.640 -0.001 0.000 0.255 551 D C -0.362 176.004 176.300 0.110 0.000 1.226 551 D CA -0.116 53.972 54.000 0.146 0.000 1.015 551 D CB 0.575 41.412 40.800 0.062 0.000 1.091 551 D HN 0.211 nan 8.370 nan 0.000 0.527 552 L N 1.354 122.610 121.223 0.056 0.000 2.287 552 L HA 0.313 4.652 4.340 -0.001 0.000 0.280 552 L C 0.239 177.108 176.870 -0.002 0.000 1.055 552 L CA -0.399 54.460 54.840 0.032 0.000 0.863 552 L CB 0.349 42.411 42.059 0.004 0.000 1.245 552 L HN 0.090 nan 8.230 nan 0.000 0.432 553 E N 1.204 121.404 120.200 0.000 0.000 2.222 553 E HA 0.237 4.586 4.350 -0.001 0.000 0.272 553 E C -0.740 175.850 176.600 -0.017 0.000 0.982 553 E CA -0.976 55.418 56.400 -0.011 0.000 0.842 553 E CB 1.053 30.750 29.700 -0.006 0.000 1.144 553 E HN 0.418 nan 8.360 nan 0.000 0.397 554 D N 1.444 121.831 120.400 -0.022 0.000 2.982 554 D HA -0.208 4.431 4.640 -0.001 0.000 0.207 554 D C -0.993 175.287 176.300 -0.033 0.000 1.258 554 D CA 0.592 54.575 54.000 -0.028 0.000 0.758 554 D CB -0.775 40.011 40.800 -0.024 0.000 0.886 554 D HN 0.234 nan 8.370 nan 0.000 0.389 555 L N 0.770 121.973 121.223 -0.033 0.000 2.350 555 L HA 0.359 4.699 4.340 -0.001 0.000 0.275 555 L C 0.794 177.642 176.870 -0.037 0.000 1.099 555 L CA -0.724 54.097 54.840 -0.030 0.000 0.808 555 L CB 1.035 43.083 42.059 -0.020 0.000 1.149 555 L HN 0.178 nan 8.230 nan 0.000 0.442 556 Q N 2.250 122.018 119.800 -0.053 0.000 2.259 556 Q HA 0.440 4.779 4.340 -0.001 0.000 0.246 556 Q C -0.898 175.106 176.000 0.006 0.000 0.920 556 Q CA 0.009 55.753 55.803 -0.098 0.000 0.895 556 Q CB 1.290 29.825 28.738 -0.338 0.000 1.220 556 Q HN 0.447 nan 8.270 nan 0.000 0.439 557 I N 5.172 125.747 120.570 0.009 0.000 2.304 557 I HA 0.073 4.243 4.170 -0.001 0.000 0.291 557 I C 0.709 176.868 176.117 0.070 0.000 1.018 557 I CA -0.346 60.992 61.300 0.063 0.000 1.260 557 I CB 1.072 39.093 38.000 0.034 0.000 1.390 557 I HN 0.751 nan 8.210 nan 0.000 0.475 558 L N 8.480 129.764 121.223 0.102 0.000 2.005 558 L HA 0.229 4.569 4.340 -0.001 0.000 0.207 558 L C 0.381 177.247 176.870 -0.007 0.000 1.072 558 L CA 1.904 56.751 54.840 0.012 0.000 0.744 558 L CB 0.211 42.044 42.059 -0.377 0.000 0.895 558 L HN 0.557 nan 8.230 nan 0.000 0.433 559 I N -0.733 119.848 120.570 0.019 0.000 2.752 559 I HA 0.264 4.433 4.170 -0.001 0.000 0.295 559 I C -1.280 174.874 176.117 0.062 0.000 1.219 559 I CA -0.851 60.469 61.300 0.033 0.000 1.030 559 I CB 1.603 39.618 38.000 0.026 0.000 1.259 559 I HN -0.050 nan 8.210 nan 0.000 0.423 560 K N 6.846 127.276 120.400 0.050 0.000 2.339 560 K HA 0.592 4.912 4.320 -0.001 0.000 0.264 560 K C -1.758 174.892 176.600 0.083 0.000 0.986 560 K CA -0.535 55.775 56.287 0.039 0.000 0.866 560 K CB 1.601 34.078 32.500 -0.038 0.000 1.103 560 K HN 0.467 nan 8.250 nan 0.000 0.441 561 V N 4.691 124.695 119.914 0.151 0.000 2.439 561 V HA 0.248 4.367 4.120 -0.001 0.000 0.282 561 V C 0.100 176.318 176.094 0.207 0.000 1.039 561 V CA -0.734 61.664 62.300 0.163 0.000 0.913 561 V CB 1.383 33.326 31.823 0.200 0.000 0.983 561 V HN 0.670 nan 8.190 nan 0.000 0.460 562 K N 3.463 123.943 120.400 0.133 0.000 2.201 562 K HA 0.579 4.899 4.320 -0.001 0.000 0.278 562 K C 0.523 177.151 176.600 0.046 0.000 1.027 562 K CA 0.834 57.194 56.287 0.121 0.000 0.909 562 K CB 1.030 33.579 32.500 0.083 0.000 1.062 562 K HN 1.078 nan 8.250 nan 0.000 0.465 563 G N 3.257 112.072 108.800 0.026 0.000 2.598 563 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.244 563 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.244 563 G C -0.748 174.145 174.900 -0.011 0.000 1.302 563 G CA -0.131 44.964 45.100 -0.009 0.000 0.903 563 G HN 0.755 nan 8.290 nan 0.000 0.575 564 K N -0.842 119.547 120.400 -0.018 0.000 2.451 564 K HA 0.365 4.684 4.320 -0.001 0.000 0.280 564 K C -0.202 176.331 176.600 -0.113 0.000 1.020 564 K CA 0.482 56.768 56.287 -0.001 0.000 1.008 564 K CB 0.002 32.543 32.500 0.067 0.000 0.917 564 K HN 0.985 nan 8.250 nan 0.000 0.478 565 C N 5.404 124.655 119.300 -0.081 0.000 2.978 565 C HA 0.307 4.767 4.460 -0.001 0.000 0.274 565 C C -0.147 174.748 174.990 -0.158 0.000 1.087 565 C CA -0.494 58.417 59.018 -0.179 0.000 1.453 565 C CB -0.491 27.135 27.740 -0.189 0.000 1.838 565 C HN 0.946 nan 8.230 nan 0.000 0.470 566 T N 2.563 117.203 114.554 0.143 0.000 2.766 566 T HA 0.127 4.476 4.350 -0.001 0.000 0.295 566 T C 1.666 176.278 174.700 -0.147 0.000 1.024 566 T CA 0.553 62.647 62.100 -0.011 0.000 1.018 566 T CB 0.959 69.859 68.868 0.052 0.000 1.002 566 T HN 0.759 nan 8.240 nan 0.000 0.532 567 T N -1.338 113.088 114.554 -0.214 0.000 3.072 567 T HA -0.064 4.285 4.350 -0.001 0.000 0.266 567 T C 1.240 175.862 174.700 -0.131 0.000 1.127 567 T CA 0.739 62.714 62.100 -0.209 0.000 1.107 567 T CB -0.080 68.691 68.868 -0.163 0.000 0.910 567 T HN 0.512 nan 8.240 nan 0.000 0.513 568 D N 0.963 121.273 120.400 -0.149 0.000 2.277 568 D HA -0.038 4.602 4.640 -0.001 0.000 0.208 568 D C 1.610 177.814 176.300 -0.161 0.000 0.962 568 D CA 0.842 54.752 54.000 -0.149 0.000 0.865 568 D CB -0.003 40.684 40.800 -0.189 0.000 0.939 568 D HN 0.610 nan 8.370 nan 0.000 0.510 569 H N -0.120 118.907 119.070 -0.072 0.000 2.436 569 H HA 0.101 4.657 4.556 -0.001 0.000 0.294 569 H C 2.110 177.395 175.328 -0.071 0.000 1.048 569 H CA 0.558 56.573 56.048 -0.056 0.000 1.353 569 H CB 0.424 30.150 29.762 -0.060 0.000 1.414 569 H HN 0.106 nan 8.280 nan 0.000 0.536 570 I N -1.193 119.377 120.570 -0.001 0.000 2.339 570 I HA -0.061 4.109 4.170 -0.001 0.000 0.245 570 I C 0.647 176.746 176.117 -0.030 0.000 1.096 570 I CA 0.581 61.871 61.300 -0.017 0.000 1.408 570 I CB 0.350 38.305 38.000 -0.075 0.000 1.092 570 I HN -0.008 nan 8.210 nan 0.000 0.423 571 S N 0.870 116.539 115.700 -0.050 0.000 2.746 571 S HA 0.679 5.149 4.470 -0.001 0.000 0.273 571 S C -0.334 174.218 174.600 -0.079 0.000 1.172 571 S CA -0.763 57.393 58.200 -0.073 0.000 1.116 571 S CB 0.483 63.690 63.200 0.012 0.000 1.057 571 S HN 0.221 nan 8.310 nan 0.000 0.483 572 A N 3.578 126.320 122.820 -0.130 0.000 2.366 572 A HA 0.844 5.164 4.320 -0.001 0.000 0.249 572 A C 0.976 178.638 177.584 0.131 0.000 1.084 572 A CA 0.199 52.239 52.037 0.004 0.000 0.794 572 A CB 0.205 19.254 19.000 0.082 0.000 1.034 572 A HN 1.155 nan 8.150 nan 0.000 0.491 573 A N 0.590 123.504 122.820 0.156 0.000 3.748 573 A HA 0.747 5.066 4.320 -0.001 0.000 0.180 573 A C 1.687 179.407 177.584 0.227 0.000 1.758 573 A CA 0.838 52.977 52.037 0.170 0.000 1.736 573 A CB -1.147 17.917 19.000 0.106 0.000 1.559 573 A HN 2.745 nan 8.150 nan 0.000 0.575 574 G N -0.468 108.418 108.800 0.143 0.000 2.629 574 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.313 574 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.313 574 G C -0.783 174.141 174.900 0.040 0.000 1.217 574 G CA 0.829 45.991 45.100 0.102 0.000 0.994 574 G HN 0.699 nan 8.290 nan 0.000 0.549 575 P HA -0.048 nan 4.420 nan 0.000 0.220 575 P C 1.271 178.394 177.300 -0.295 0.000 1.148 575 P CA 2.124 65.068 63.100 -0.260 0.000 0.803 575 P CB -0.218 31.232 31.700 -0.417 0.000 0.782 576 W N -0.316 121.000 121.300 0.027 0.000 2.937 576 W HA 0.160 4.820 4.660 -0.001 0.000 0.245 576 W C 2.074 178.599 176.519 0.010 0.000 1.306 576 W CA -0.155 57.242 57.345 0.086 0.000 1.470 576 W CB -0.939 28.601 29.460 0.133 0.000 1.132 576 W HN -0.149 nan 8.180 nan 0.000 0.675 577 L N 1.399 122.693 121.223 0.119 0.000 2.265 577 L HA -0.194 4.145 4.340 -0.001 0.000 0.215 577 L C 2.456 179.303 176.870 -0.038 0.000 1.117 577 L CA 1.321 56.190 54.840 0.047 0.000 0.782 577 L CB -0.740 41.345 42.059 0.043 0.000 0.914 577 L HN 0.150 nan 8.230 nan 0.000 0.441 578 K N -0.244 120.038 120.400 -0.196 0.000 2.504 578 K HA -0.105 4.214 4.320 -0.001 0.000 0.195 578 K C 0.997 177.382 176.600 -0.358 0.000 1.036 578 K CA 1.154 57.229 56.287 -0.353 0.000 0.984 578 K CB -0.100 32.057 32.500 -0.572 0.000 0.788 578 K HN 0.252 nan 8.250 nan 0.000 0.488 579 F N 0.510 120.512 119.950 0.088 0.000 2.698 579 F HA 0.332 4.859 4.527 -0.001 0.000 0.304 579 F C 1.375 177.265 175.800 0.150 0.000 1.108 579 F CA -1.083 56.996 58.000 0.132 0.000 1.263 579 F CB 0.583 39.711 39.000 0.214 0.000 1.013 579 F HN -0.180 nan 8.300 nan 0.000 0.532 580 R N 0.544 121.169 120.500 0.207 0.000 2.303 580 R HA -0.055 4.284 4.340 -0.001 0.000 0.225 580 R C 1.854 178.338 176.300 0.306 0.000 1.114 580 R CA 0.955 57.147 56.100 0.154 0.000 1.007 580 R CB -0.881 29.434 30.300 0.025 0.000 0.861 580 R HN 0.366 nan 8.270 nan 0.000 0.471 581 G N -1.456 107.476 108.800 0.220 0.000 3.277 581 G HA2 -0.053 3.907 3.960 -0.001 0.000 0.243 581 G HA3 -0.053 3.907 3.960 -0.001 0.000 0.243 581 G C -0.081 174.900 174.900 0.134 0.000 1.107 581 G CA -0.203 44.978 45.100 0.135 0.000 0.771 581 G HN 0.206 nan 8.290 nan 0.000 0.544 582 H N 1.121 120.269 119.070 0.131 0.000 2.718 582 H HA 0.266 4.821 4.556 -0.001 0.000 0.295 582 H C 0.589 175.949 175.328 0.053 0.000 1.051 582 H CA -0.714 55.376 56.048 0.071 0.000 1.260 582 H CB 1.777 31.605 29.762 0.109 0.000 1.403 582 H HN 0.019 nan 8.280 nan 0.000 0.488 583 L N 4.900 126.082 121.223 -0.069 0.000 1.970 583 L HA -0.173 4.167 4.340 -0.001 0.000 0.212 583 L C 1.767 178.586 176.870 -0.085 0.000 1.071 583 L CA 2.484 57.271 54.840 -0.088 0.000 0.751 583 L CB -0.577 41.325 42.059 -0.261 0.000 0.889 583 L HN 0.741 nan 8.230 nan 0.000 0.432 584 D N -2.406 117.914 120.400 -0.133 0.000 2.310 584 D HA -0.161 4.478 4.640 -0.001 0.000 0.212 584 D C 1.633 178.016 176.300 0.139 0.000 0.965 584 D CA 1.222 55.269 54.000 0.078 0.000 0.879 584 D CB -0.682 40.239 40.800 0.202 0.000 0.921 584 D HN 0.492 nan 8.370 nan 0.000 0.510 585 N N -0.376 118.435 118.700 0.185 0.000 2.333 585 N HA 0.110 4.850 4.740 -0.001 0.000 0.178 585 N C 1.578 177.020 175.510 -0.112 0.000 1.018 585 N CA 0.151 53.081 53.050 -0.200 0.000 0.882 585 N CB 0.155 38.143 38.487 -0.832 0.000 0.984 585 N HN 0.120 nan 8.380 nan 0.000 0.434 586 I N 0.150 120.795 120.570 0.125 0.000 3.059 586 I HA -0.068 4.102 4.170 -0.001 0.000 0.270 586 I C 1.199 177.338 176.117 0.036 0.000 1.238 586 I CA 0.589 62.033 61.300 0.240 0.000 1.478 586 I CB 0.137 38.339 38.000 0.337 0.000 1.097 586 I HN 0.053 nan 8.210 nan 0.000 0.455 587 S N 1.250 116.997 115.700 0.079 0.000 2.469 587 S HA -0.102 4.368 4.470 -0.001 0.000 0.238 587 S C 1.455 176.053 174.600 -0.004 0.000 0.998 587 S CA 0.762 59.011 58.200 0.083 0.000 0.957 587 S CB -0.409 62.938 63.200 0.244 0.000 0.764 587 S HN 0.538 nan 8.310 nan 0.000 0.514 588 N N 2.492 121.175 118.700 -0.029 0.000 2.609 588 N HA -0.060 4.679 4.740 -0.001 0.000 0.190 588 N C 0.935 176.288 175.510 -0.260 0.000 1.157 588 N CA 0.529 53.569 53.050 -0.017 0.000 0.918 588 N CB -0.368 38.222 38.487 0.172 0.000 0.978 588 N HN 0.784 nan 8.380 nan 0.000 0.448 589 N N 0.202 118.505 118.700 -0.661 0.000 2.251 589 N HA 0.009 4.749 4.740 -0.001 0.000 0.217 589 N C -0.030 175.263 175.510 -0.361 0.000 1.124 589 N CA -0.412 52.140 53.050 -0.829 0.000 0.843 589 N CB 0.153 37.548 38.487 -1.820 0.000 1.024 589 N HN -0.083 nan 8.380 nan 0.000 0.501 590 L N 1.777 122.894 121.223 -0.177 0.000 2.477 590 L HA 0.134 4.473 4.340 -0.001 0.000 0.272 590 L C 0.534 177.376 176.870 -0.047 0.000 1.157 590 L CA 0.467 55.270 54.840 -0.060 0.000 0.889 590 L CB -0.123 41.951 42.059 0.025 0.000 1.158 590 L HN 0.328 nan 8.230 nan 0.000 0.473 591 L N 4.675 125.889 121.223 -0.016 0.000 4.179 591 L HA -0.305 4.034 4.340 -0.001 0.000 0.418 591 L C 1.420 178.297 176.870 0.011 0.000 1.168 591 L CA 0.908 55.758 54.840 0.016 0.000 0.972 591 L CB -1.297 40.783 42.059 0.036 0.000 2.005 591 L HN 0.849 nan 8.230 nan 0.000 0.935 592 I N -4.406 116.159 120.570 -0.009 0.000 2.830 592 I HA 0.037 4.207 4.170 -0.001 0.000 0.263 592 I C 1.907 178.062 176.117 0.063 0.000 1.230 592 I CA 1.508 62.820 61.300 0.020 0.000 1.480 592 I CB -0.342 37.670 38.000 0.019 0.000 1.095 592 I HN 0.227 nan 8.210 nan 0.000 0.455 593 G N 0.860 109.718 108.800 0.097 0.000 2.921 593 G HA2 0.492 4.452 3.960 -0.001 0.000 0.213 593 G HA3 0.492 4.452 3.960 -0.001 0.000 0.213 593 G C 0.762 175.791 174.900 0.215 0.000 1.143 593 G CA 0.327 45.539 45.100 0.188 0.000 0.764 593 G HN 0.519 nan 8.290 nan 0.000 0.542 594 A N 0.873 123.748 122.820 0.091 0.000 2.425 594 A HA 0.543 4.862 4.320 -0.001 0.000 0.249 594 A C -0.060 177.512 177.584 -0.019 0.000 1.084 594 A CA -0.235 51.776 52.037 -0.044 0.000 0.781 594 A CB 0.404 19.409 19.000 0.008 0.000 1.019 594 A HN 0.089 nan 8.150 nan 0.000 0.490 595 I N 2.603 123.143 120.570 -0.050 0.000 2.371 595 I HA 0.065 4.235 4.170 -0.001 0.000 0.290 595 I C 0.517 176.651 176.117 0.029 0.000 1.028 595 I CA -0.491 60.807 61.300 -0.004 0.000 1.345 595 I CB 0.385 38.374 38.000 -0.019 0.000 1.407 595 I HN 0.701 nan 8.210 nan 0.000 0.501 596 N N 6.016 124.742 118.700 0.044 0.000 2.431 596 N HA -0.005 4.735 4.740 -0.001 0.000 0.265 596 N C 0.979 176.528 175.510 0.064 0.000 1.184 596 N CA 0.239 53.327 53.050 0.063 0.000 0.943 596 N CB 0.470 39.007 38.487 0.083 0.000 1.080 596 N HN 0.645 nan 8.380 nan 0.000 0.477 597 I N 2.745 123.356 120.570 0.069 0.000 2.700 597 I HA -0.185 3.984 4.170 -0.001 0.000 0.261 597 I C 1.826 177.981 176.117 0.064 0.000 1.219 597 I CA 1.101 62.440 61.300 0.065 0.000 1.463 597 I CB 0.096 38.135 38.000 0.066 0.000 1.092 597 I HN 0.717 nan 8.210 nan 0.000 0.452 598 E N 1.270 121.520 120.200 0.084 0.000 2.107 598 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 598 E C 0.830 177.481 176.600 0.084 0.000 0.982 598 E CA 1.494 57.959 56.400 0.110 0.000 0.809 598 E CB 0.116 29.919 29.700 0.173 0.000 0.756 598 E HN 0.694 nan 8.360 nan 0.000 0.459 599 N N -0.939 117.796 118.700 0.058 0.000 2.184 599 N HA 0.110 4.849 4.740 -0.001 0.000 0.234 599 N C -0.374 175.129 175.510 -0.012 0.000 1.282 599 N CA -0.071 52.972 53.050 -0.011 0.000 0.877 599 N CB 0.304 38.727 38.487 -0.107 0.000 1.184 599 N HN -0.009 nan 8.380 nan 0.000 0.510 600 R N -0.449 120.059 120.500 0.013 0.000 3.863 600 R HA -0.210 4.129 4.340 -0.001 0.000 0.313 600 R C -0.907 175.395 176.300 0.004 0.000 1.202 600 R CA 1.251 57.356 56.100 0.009 0.000 0.852 600 R CB -1.673 28.627 30.300 0.001 0.000 1.292 600 R HN 0.480 nan 8.270 nan 0.000 0.519 601 K N -0.414 119.990 120.400 0.008 0.000 2.340 601 K HA 0.756 5.076 4.320 -0.001 0.000 0.244 601 K C -0.519 176.097 176.600 0.026 0.000 0.973 601 K CA -0.470 55.822 56.287 0.008 0.000 0.828 601 K CB 2.034 34.529 32.500 -0.009 0.000 1.226 601 K HN 0.083 nan 8.250 nan 0.000 0.437 602 A N 1.658 124.497 122.820 0.032 0.000 2.309 602 A HA 0.323 4.643 4.320 -0.001 0.000 0.298 602 A C 0.290 177.901 177.584 0.046 0.000 1.165 602 A CA -0.101 51.963 52.037 0.045 0.000 0.821 602 A CB 0.040 19.078 19.000 0.063 0.000 1.102 602 A HN 0.909 nan 8.150 nan 0.000 0.500 603 N N -0.099 118.628 118.700 0.045 0.000 2.758 603 N HA -0.176 4.563 4.740 -0.001 0.000 0.248 603 N C -0.530 175.007 175.510 0.044 0.000 1.076 603 N CA 1.217 54.289 53.050 0.038 0.000 0.696 603 N CB -1.286 37.228 38.487 0.046 0.000 0.979 603 N HN 1.293 nan 8.380 nan 0.000 0.550 604 S N -1.851 113.888 115.700 0.065 0.000 2.511 604 S HA 0.574 5.044 4.470 -0.001 0.000 0.233 604 S C -0.239 174.490 174.600 0.215 0.000 1.104 604 S CA -0.310 57.961 58.200 0.118 0.000 1.129 604 S CB 0.856 64.120 63.200 0.106 0.000 1.159 604 S HN 0.760 nan 8.310 nan 0.000 0.451 605 V N -0.012 119.977 119.914 0.124 0.000 2.881 605 V HA 0.715 4.834 4.120 -0.001 0.000 0.316 605 V C 0.135 176.139 176.094 -0.150 0.000 1.070 605 V CA -1.276 61.056 62.300 0.054 0.000 0.976 605 V CB 1.781 33.580 31.823 -0.039 0.000 1.038 605 V HN 0.974 nan 8.190 nan 0.000 0.446 606 R N 2.852 123.074 120.500 -0.463 0.000 2.254 606 R HA 0.266 4.605 4.340 -0.001 0.000 0.318 606 R C -0.297 175.759 176.300 -0.407 0.000 1.031 606 R CA -0.410 55.193 56.100 -0.828 0.000 0.905 606 R CB 0.743 30.285 30.300 -1.263 0.000 1.050 606 R HN 0.986 nan 8.270 nan 0.000 0.456 607 N N 3.381 121.857 118.700 -0.373 0.000 2.420 607 N HA 0.002 4.741 4.740 -0.001 0.000 0.262 607 N C 0.620 176.022 175.510 -0.179 0.000 1.144 607 N CA 0.328 53.193 53.050 -0.308 0.000 0.952 607 N CB 1.564 39.769 38.487 -0.470 0.000 1.081 607 N HN 0.715 nan 8.380 nan 0.000 0.480 608 A N 3.466 126.295 122.820 0.015 0.000 1.986 608 A HA -0.171 4.148 4.320 -0.001 0.000 0.220 608 A C 1.975 179.546 177.584 -0.023 0.000 1.171 608 A CA 2.220 54.258 52.037 0.002 0.000 0.640 608 A CB -0.405 18.625 19.000 0.050 0.000 0.811 608 A HN 0.660 nan 8.150 nan 0.000 0.451 609 V N -2.454 117.445 119.914 -0.024 0.000 3.125 609 V HA 0.008 4.127 4.120 -0.001 0.000 0.249 609 V C 2.052 178.096 176.094 -0.083 0.000 1.113 609 V CA 2.090 64.377 62.300 -0.021 0.000 1.106 609 V CB -0.646 31.217 31.823 0.067 0.000 0.768 609 V HN 0.639 nan 8.190 nan 0.000 0.468 610 T N -4.010 110.430 114.554 -0.190 0.000 3.057 610 T HA 0.092 4.441 4.350 -0.001 0.000 0.254 610 T C 1.009 175.632 174.700 -0.129 0.000 1.094 610 T CA 0.550 62.553 62.100 -0.162 0.000 1.088 610 T CB -0.136 68.579 68.868 -0.254 0.000 0.934 610 T HN 0.470 nan 8.240 nan 0.000 0.497 611 Q N 0.627 120.332 119.800 -0.159 0.000 2.487 611 Q HA -0.132 4.207 4.340 -0.001 0.000 0.279 611 Q C -0.827 175.095 176.000 -0.130 0.000 1.228 611 Q CA 0.828 56.543 55.803 -0.148 0.000 0.873 611 Q CB -2.053 26.637 28.738 -0.078 0.000 1.260 611 Q HN 0.795 nan 8.270 nan 0.000 0.471 612 E N -0.551 119.546 120.200 -0.171 0.000 2.199 612 E HA 0.516 4.865 4.350 -0.001 0.000 0.269 612 E C -0.535 175.999 176.600 -0.110 0.000 0.899 612 E CA -0.624 55.728 56.400 -0.080 0.000 0.772 612 E CB 0.944 30.602 29.700 -0.069 0.000 1.155 612 E HN 0.006 nan 8.360 nan 0.000 0.408 613 F N 1.313 121.223 119.950 -0.066 0.000 2.412 613 F HA 0.525 5.052 4.527 -0.001 0.000 0.348 613 F C 1.089 176.848 175.800 -0.068 0.000 1.102 613 F CA 0.593 58.556 58.000 -0.062 0.000 1.196 613 F CB 1.400 40.376 39.000 -0.040 0.000 1.144 613 F HN 0.487 nan 8.300 nan 0.000 0.541 614 G N 2.952 111.797 108.800 0.076 0.000 2.554 614 G HA2 0.495 4.454 3.960 -0.001 0.000 0.306 614 G HA3 0.495 4.454 3.960 -0.001 0.000 0.306 614 G C -3.294 171.603 174.900 -0.005 0.000 1.320 614 G CA -1.335 43.777 45.100 0.020 0.000 0.800 614 G HN 0.221 nan 8.290 nan 0.000 0.481 615 P HA 0.193 nan 4.420 nan 0.000 0.267 615 P C 1.198 178.461 177.300 -0.062 0.000 1.200 615 P CA -0.334 62.758 63.100 -0.015 0.000 0.772 615 P CB 1.118 32.822 31.700 0.005 0.000 0.855 616 V N 5.121 124.997 119.914 -0.064 0.000 2.295 616 V HA -0.156 3.964 4.120 -0.001 0.000 0.246 616 V C -0.839 175.168 176.094 -0.144 0.000 1.049 616 V CA 2.318 64.545 62.300 -0.122 0.000 1.024 616 V CB -2.225 29.540 31.823 -0.097 0.000 0.648 616 V HN 0.648 nan 8.190 nan 0.000 0.447 617 P HA -0.097 nan 4.420 nan 0.000 0.216 617 P C 0.976 178.249 177.300 -0.044 0.000 1.153 617 P CA 1.476 64.544 63.100 -0.053 0.000 0.848 617 P CB -0.079 31.610 31.700 -0.019 0.000 0.787 618 D N -1.211 119.164 120.400 -0.043 0.000 2.104 618 D HA -0.136 4.504 4.640 -0.001 0.000 0.194 618 D C 1.828 178.076 176.300 -0.086 0.000 0.994 618 D CA 1.660 55.641 54.000 -0.031 0.000 0.830 618 D CB -0.855 39.929 40.800 -0.026 0.000 0.959 618 D HN 0.120 nan 8.370 nan 0.000 0.452 619 T N 0.089 114.517 114.554 -0.210 0.000 2.708 619 T HA -0.141 4.208 4.350 -0.001 0.000 0.266 619 T C 2.064 176.427 174.700 -0.562 0.000 1.037 619 T CA 1.308 63.144 62.100 -0.440 0.000 1.146 619 T CB -0.423 68.152 68.868 -0.488 0.000 0.865 619 T HN 0.202 nan 8.240 nan 0.000 0.435 620 A N 1.470 124.059 122.820 -0.386 0.000 1.933 620 A HA -0.078 4.242 4.320 -0.001 0.000 0.218 620 A C 2.317 179.970 177.584 0.115 0.000 1.175 620 A CA 1.577 53.463 52.037 -0.252 0.000 0.628 620 A CB -0.546 18.278 19.000 -0.293 0.000 0.814 620 A HN 0.381 nan 8.150 nan 0.000 0.444 621 R N -2.102 118.435 120.500 0.061 0.000 2.075 621 R HA -0.168 4.171 4.340 -0.001 0.000 0.232 621 R C 2.064 178.440 176.300 0.128 0.000 1.126 621 R CA 1.740 57.901 56.100 0.102 0.000 0.963 621 R CB -0.488 29.852 30.300 0.066 0.000 0.858 621 R HN 0.610 nan 8.270 nan 0.000 0.435 622 Y N 0.379 120.664 120.300 -0.025 0.000 2.114 622 Y HA -0.336 4.213 4.550 -0.001 0.000 0.282 622 Y C 1.746 177.752 175.900 0.177 0.000 1.165 622 Y CA 2.070 60.183 58.100 0.021 0.000 1.148 622 Y CB -0.609 37.747 38.460 -0.173 0.000 0.972 622 Y HN 0.155 nan 8.280 nan 0.000 0.504 623 Y N 0.019 120.494 120.300 0.291 0.000 2.128 623 Y HA -0.338 4.211 4.550 -0.001 0.000 0.284 623 Y C 2.774 178.809 175.900 0.226 0.000 1.154 623 Y CA 1.363 59.623 58.100 0.267 0.000 1.149 623 Y CB -0.310 38.341 38.460 0.319 0.000 0.976 623 Y HN 0.087 nan 8.280 nan 0.000 0.505 624 K N 0.976 121.611 120.400 0.392 0.000 2.002 624 K HA -0.257 4.063 4.320 -0.001 0.000 0.209 624 K C 1.966 178.637 176.600 0.120 0.000 1.048 624 K CA 2.019 58.444 56.287 0.230 0.000 0.930 624 K CB -0.228 32.382 32.500 0.183 0.000 0.714 624 K HN 0.471 nan 8.250 nan 0.000 0.438 625 Q N -1.182 118.666 119.800 0.079 0.000 2.488 625 Q HA -0.121 4.218 4.340 -0.001 0.000 0.211 625 Q C 0.820 176.762 176.000 -0.096 0.000 0.967 625 Q CA 1.046 56.837 55.803 -0.020 0.000 0.926 625 Q CB 0.010 28.718 28.738 -0.049 0.000 0.992 625 Q HN 0.506 nan 8.270 nan 0.000 0.506 626 H N -0.269 118.754 119.070 -0.077 0.000 2.586 626 H HA 0.186 4.741 4.556 -0.001 0.000 0.273 626 H C 0.641 175.968 175.328 -0.002 0.000 0.997 626 H CA 0.422 56.425 56.048 -0.075 0.000 1.177 626 H CB 1.161 30.850 29.762 -0.122 0.000 1.471 626 H HN 0.559 nan 8.280 nan 0.000 0.538 627 G N 1.786 110.649 108.800 0.105 0.000 2.147 627 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.244 627 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.244 627 G C 0.123 175.071 174.900 0.081 0.000 1.005 627 G CA 0.006 45.146 45.100 0.068 0.000 0.713 627 G HN 0.306 nan 8.290 nan 0.000 0.515 628 I N 1.048 121.697 120.570 0.133 0.000 2.312 628 I HA 0.342 4.512 4.170 -0.001 0.000 0.291 628 I C 1.022 177.182 176.117 0.073 0.000 1.031 628 I CA -0.630 60.711 61.300 0.068 0.000 1.293 628 I CB 0.751 38.751 38.000 -0.001 0.000 1.403 628 I HN 0.055 nan 8.210 nan 0.000 0.484 629 R N 7.215 127.714 120.500 -0.001 0.000 2.410 629 R HA 0.420 4.759 4.340 -0.001 0.000 0.288 629 R C -0.759 175.529 176.300 -0.020 0.000 1.051 629 R CA -0.357 55.702 56.100 -0.068 0.000 1.021 629 R CB 1.251 31.497 30.300 -0.090 0.000 1.032 629 R HN 0.650 nan 8.270 nan 0.000 0.481 630 W N 0.714 121.990 121.300 -0.039 0.000 3.021 630 W HA 0.753 5.412 4.660 -0.001 0.000 0.337 630 W C -1.453 175.063 176.519 -0.004 0.000 1.171 630 W CA -1.093 56.223 57.345 -0.048 0.000 1.060 630 W CB 0.439 29.895 29.460 -0.007 0.000 1.472 630 W HN 0.187 nan 8.180 nan 0.000 0.594 631 V N 1.005 121.178 119.914 0.433 0.000 3.049 631 V HA 0.502 4.621 4.120 -0.001 0.000 0.309 631 V C -0.695 175.600 176.094 0.336 0.000 1.148 631 V CA -0.918 61.540 62.300 0.263 0.000 0.990 631 V CB 2.050 33.932 31.823 0.099 0.000 1.039 631 V HN 0.434 nan 8.190 nan 0.000 0.430 632 V N 4.257 124.320 119.914 0.249 0.000 2.715 632 V HA 0.583 4.703 4.120 -0.001 0.000 0.310 632 V C -0.775 175.354 176.094 0.058 0.000 1.054 632 V CA -0.617 61.794 62.300 0.185 0.000 0.928 632 V CB 2.050 34.022 31.823 0.249 0.000 1.007 632 V HN 0.570 nan 8.190 nan 0.000 0.437 633 I N 3.282 123.886 120.570 0.057 0.000 2.406 633 I HA 0.666 4.835 4.170 -0.001 0.000 0.290 633 I C 0.514 176.700 176.117 0.116 0.000 0.999 633 I CA 0.033 61.368 61.300 0.057 0.000 1.124 633 I CB 1.333 39.373 38.000 0.066 0.000 1.289 633 I HN 0.740 nan 8.210 nan 0.000 0.441 634 G N 4.141 112.986 108.800 0.076 0.000 2.630 634 G HA2 0.451 4.411 3.960 -0.001 0.000 0.296 634 G HA3 0.451 4.411 3.960 -0.001 0.000 0.296 634 G C -0.605 174.435 174.900 0.233 0.000 1.285 634 G CA -0.196 44.982 45.100 0.129 0.000 0.958 634 G HN 0.500 nan 8.290 nan 0.000 0.479 635 D N -0.752 119.710 120.400 0.103 0.000 2.387 635 D HA 0.203 4.842 4.640 -0.001 0.000 0.264 635 D C 0.067 176.316 176.300 -0.085 0.000 1.216 635 D CA -0.150 53.746 54.000 -0.173 0.000 1.138 635 D CB 0.665 41.323 40.800 -0.237 0.000 1.176 635 D HN 0.354 nan 8.370 nan 0.000 0.522 636 E N 0.745 120.900 120.200 -0.075 0.000 2.331 636 E HA 0.090 4.440 4.350 -0.001 0.000 0.272 636 E C -0.068 176.550 176.600 0.030 0.000 1.036 636 E CA -0.172 56.211 56.400 -0.028 0.000 0.864 636 E CB 0.666 30.348 29.700 -0.030 0.000 1.035 636 E HN 0.380 nan 8.360 nan 0.000 0.408 637 N N 2.589 121.314 118.700 0.042 0.000 2.714 637 N HA -0.277 4.462 4.740 -0.001 0.000 0.252 637 N C -1.092 174.492 175.510 0.122 0.000 1.014 637 N CA -0.020 53.082 53.050 0.087 0.000 0.735 637 N CB -0.711 37.823 38.487 0.077 0.000 0.924 637 N HN 0.468 nan 8.380 nan 0.000 0.540 638 Y N 0.285 120.570 120.300 -0.025 0.000 2.526 638 Y HA 0.270 4.819 4.550 -0.001 0.000 0.330 638 Y C 1.464 177.459 175.900 0.159 0.000 1.156 638 Y CA 1.616 59.723 58.100 0.012 0.000 1.419 638 Y CB 0.661 39.050 38.460 -0.118 0.000 1.250 638 Y HN 0.329 nan 8.280 nan 0.000 0.540 639 G N 3.994 112.641 108.800 -0.256 0.000 2.137 639 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.237 639 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.237 639 G C 0.062 174.912 174.900 -0.082 0.000 1.002 639 G CA 0.093 45.004 45.100 -0.314 0.000 0.702 639 G HN 0.784 nan 8.290 nan 0.000 0.515 640 E N -0.005 120.161 120.200 -0.058 0.000 2.437 640 E HA 0.412 4.761 4.350 -0.001 0.000 0.263 640 E C 1.340 177.859 176.600 -0.134 0.000 1.030 640 E CA 1.444 57.819 56.400 -0.041 0.000 0.934 640 E CB 0.178 29.871 29.700 -0.011 0.000 0.943 640 E HN 1.661 nan 8.360 nan 0.000 0.444 641 G N 2.918 111.628 108.800 -0.150 0.000 2.601 641 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.224 641 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.224 641 G C -0.475 174.333 174.900 -0.153 0.000 1.171 641 G CA -0.132 44.826 45.100 -0.236 0.000 1.009 641 G HN 0.646 nan 8.290 nan 0.000 0.589 642 S N 0.652 116.267 115.700 -0.141 0.000 2.572 642 S HA 0.417 4.886 4.470 -0.001 0.000 0.279 642 S C 1.817 176.397 174.600 -0.033 0.000 1.341 642 S CA 0.694 58.849 58.200 -0.076 0.000 1.043 642 S CB 1.463 64.635 63.200 -0.048 0.000 0.887 642 S HN 1.785 nan 8.310 nan 0.000 0.516 643 S N 2.030 117.724 115.700 -0.010 0.000 2.481 643 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 643 S C 0.804 175.451 174.600 0.078 0.000 0.996 643 S CA -0.203 58.015 58.200 0.029 0.000 0.942 643 S CB -0.400 62.808 63.200 0.013 0.000 0.768 643 S HN 0.785 nan 8.310 nan 0.000 0.520 644 R N 2.382 122.936 120.500 0.091 0.000 2.560 644 R HA -0.108 4.231 4.340 -0.001 0.000 0.296 644 R C 0.838 177.273 176.300 0.225 0.000 0.873 644 R CA 0.991 57.200 56.100 0.182 0.000 1.140 644 R CB -0.278 30.108 30.300 0.144 0.000 0.875 644 R HN 0.704 nan 8.270 nan 0.000 0.419 645 E N 2.651 122.977 120.200 0.210 0.000 2.478 645 E HA -0.201 4.149 4.350 -0.001 0.000 0.198 645 E C 0.318 176.972 176.600 0.091 0.000 1.046 645 E CA 1.064 57.531 56.400 0.111 0.000 0.870 645 E CB -0.174 29.531 29.700 0.008 0.000 0.818 645 E HN 0.829 nan 8.360 nan 0.000 0.527 646 H N 0.990 120.121 119.070 0.101 0.000 2.421 646 H HA 0.006 4.561 4.556 -0.001 0.000 0.298 646 H C 2.059 177.460 175.328 0.121 0.000 1.087 646 H CA 1.540 57.650 56.048 0.104 0.000 1.330 646 H CB -0.038 29.776 29.762 0.088 0.000 1.388 646 H HN 0.097 nan 8.280 nan 0.000 0.526 647 S N -0.518 115.333 115.700 0.251 0.000 2.440 647 S HA -0.142 4.328 4.470 -0.001 0.000 0.238 647 S C 2.146 176.958 174.600 0.353 0.000 1.010 647 S CA 0.901 59.248 58.200 0.245 0.000 0.972 647 S CB -0.131 63.182 63.200 0.188 0.000 0.774 647 S HN 0.628 nan 8.310 nan 0.000 0.501 648 A N 0.050 123.029 122.820 0.265 0.000 2.055 648 A HA 0.379 4.699 4.320 -0.001 0.000 0.205 648 A C 1.870 179.518 177.584 0.105 0.000 1.235 648 A CA 0.018 52.154 52.037 0.165 0.000 0.822 648 A CB -0.223 18.809 19.000 0.054 0.000 0.903 648 A HN 0.394 nan 8.150 nan 0.000 0.473 649 L N -0.106 121.186 121.223 0.115 0.000 2.056 649 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 649 L C 2.456 179.436 176.870 0.184 0.000 1.078 649 L CA 1.514 56.444 54.840 0.151 0.000 0.749 649 L CB -0.433 41.697 42.059 0.119 0.000 0.901 649 L HN 0.429 nan 8.230 nan 0.000 0.433 650 E N -0.159 120.157 120.200 0.194 0.000 2.072 650 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 650 E C -0.576 176.182 176.600 0.263 0.000 0.985 650 E CA 0.967 57.508 56.400 0.235 0.000 0.801 650 E CB -0.946 28.870 29.700 0.193 0.000 0.750 650 E HN 0.421 nan 8.360 nan 0.000 0.452 651 P HA -0.191 nan 4.420 nan 0.000 0.216 651 P C 1.224 178.546 177.300 0.037 0.000 1.150 651 P CA 1.343 64.624 63.100 0.302 0.000 0.843 651 P CB 0.080 31.944 31.700 0.273 0.000 0.787 652 R N -1.343 119.119 120.500 -0.064 0.000 2.075 652 R HA -0.088 4.251 4.340 -0.001 0.000 0.226 652 R C 2.454 178.647 176.300 -0.178 0.000 1.114 652 R CA 1.394 57.303 56.100 -0.318 0.000 0.972 652 R CB -1.551 28.321 30.300 -0.714 0.000 0.869 652 R HN 0.265 nan 8.270 nan 0.000 0.437 653 H N -0.191 118.866 119.070 -0.021 0.000 2.387 653 H HA -0.043 4.512 4.556 -0.001 0.000 0.299 653 H C 0.786 176.197 175.328 0.137 0.000 1.090 653 H CA 1.448 57.583 56.048 0.146 0.000 1.332 653 H CB 0.215 30.102 29.762 0.209 0.000 1.386 653 H HN 0.190 nan 8.280 nan 0.000 0.516 654 L N 0.172 121.455 121.223 0.101 0.000 2.688 654 L HA 0.134 4.474 4.340 -0.001 0.000 0.234 654 L C 1.293 178.336 176.870 0.288 0.000 1.192 654 L CA 0.555 55.502 54.840 0.179 0.000 0.984 654 L CB 0.561 42.832 42.059 0.353 0.000 1.232 654 L HN 0.575 nan 8.230 nan 0.000 0.465 655 G N -0.705 108.062 108.800 -0.055 0.000 2.179 655 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.220 655 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.220 655 G C 0.538 174.831 174.900 -1.011 0.000 0.990 655 G CA -0.340 44.605 45.100 -0.260 0.000 0.646 655 G HN 0.499 nan 8.290 nan 0.000 0.517 656 G N -0.615 107.327 108.800 -1.431 0.000 2.432 656 G HA2 0.526 4.485 3.960 -0.001 0.000 0.257 656 G HA3 0.526 4.485 3.960 -0.001 0.000 0.257 656 G C 0.729 175.215 174.900 -0.689 0.000 1.238 656 G CA -0.113 43.990 45.100 -1.661 0.000 0.838 656 G HN 0.199 nan 8.290 nan 0.000 0.547 657 R N 1.040 121.251 120.500 -0.482 0.000 2.350 657 R HA 0.386 4.726 4.340 -0.001 0.000 0.199 657 R C 0.603 176.834 176.300 -0.115 0.000 0.876 657 R CA 0.746 56.714 56.100 -0.220 0.000 1.062 657 R CB 0.526 30.731 30.300 -0.158 0.000 1.263 657 R HN 0.619 nan 8.270 nan 0.000 0.641 658 A N 0.907 123.672 122.820 -0.091 0.000 2.572 658 A HA 0.710 5.029 4.320 -0.001 0.000 0.295 658 A C -1.474 176.127 177.584 0.028 0.000 1.072 658 A CA -0.536 51.481 52.037 -0.033 0.000 0.691 658 A CB 1.506 20.469 19.000 -0.062 0.000 1.291 658 A HN 0.039 nan 8.150 nan 0.000 0.404 659 I N 1.383 121.990 120.570 0.062 0.000 2.447 659 I HA 0.459 4.629 4.170 -0.001 0.000 0.287 659 I C -0.796 175.352 176.117 0.051 0.000 1.023 659 I CA 0.110 61.457 61.300 0.080 0.000 1.083 659 I CB 1.672 39.782 38.000 0.183 0.000 1.245 659 I HN 0.504 nan 8.210 nan 0.000 0.434 660 I N 6.245 126.743 120.570 -0.120 0.000 2.389 660 I HA 0.576 4.745 4.170 -0.001 0.000 0.288 660 I C 0.020 175.861 176.117 -0.460 0.000 0.999 660 I CA -0.232 60.892 61.300 -0.294 0.000 1.129 660 I CB 1.723 39.492 38.000 -0.385 0.000 1.288 660 I HN 0.639 nan 8.210 nan 0.000 0.444 661 T N 0.910 115.133 114.554 -0.552 0.000 2.804 661 T HA 0.460 4.810 4.350 -0.001 0.000 0.290 661 T C 0.480 175.070 174.700 -0.185 0.000 1.099 661 T CA -0.889 60.956 62.100 -0.425 0.000 1.011 661 T CB 2.184 70.565 68.868 -0.811 0.000 1.291 661 T HN 0.435 nan 8.240 nan 0.000 0.523 662 K N 0.359 120.797 120.400 0.063 0.000 2.137 662 K HA 0.225 4.545 4.320 -0.001 0.000 0.202 662 K C 0.516 177.116 176.600 0.000 0.000 1.052 662 K CA 0.836 57.218 56.287 0.158 0.000 0.961 662 K CB 0.059 32.600 32.500 0.069 0.000 0.741 662 K HN 0.792 nan 8.250 nan 0.000 0.452 663 S N -0.665 114.969 115.700 -0.110 0.000 2.547 663 S HA 0.526 4.995 4.470 -0.001 0.000 0.270 663 S C -1.084 173.432 174.600 -0.140 0.000 1.150 663 S CA -1.107 57.056 58.200 -0.062 0.000 0.850 663 S CB 0.888 64.105 63.200 0.028 0.000 1.118 663 S HN -0.013 nan 8.310 nan 0.000 0.461 664 F N 0.821 120.847 119.950 0.126 0.000 2.523 664 F HA 0.827 5.353 4.527 -0.001 0.000 0.329 664 F C 0.805 176.694 175.800 0.148 0.000 1.061 664 F CA -0.565 57.545 58.000 0.183 0.000 0.967 664 F CB 1.706 40.808 39.000 0.171 0.000 1.218 664 F HN 0.969 nan 8.300 nan 0.000 0.480 665 A N 1.794 124.858 122.820 0.408 0.000 2.302 665 A HA 0.385 4.705 4.320 -0.001 0.000 0.285 665 A C 1.415 179.146 177.584 0.245 0.000 1.105 665 A CA -0.480 51.709 52.037 0.253 0.000 0.816 665 A CB 0.664 19.783 19.000 0.199 0.000 1.067 665 A HN 0.972 nan 8.150 nan 0.000 0.489 666 R N 1.024 121.619 120.500 0.158 0.000 2.070 666 R HA -0.123 4.216 4.340 -0.001 0.000 0.232 666 R C 1.507 177.876 176.300 0.115 0.000 1.138 666 R CA 2.142 58.313 56.100 0.119 0.000 0.936 666 R CB -0.358 29.996 30.300 0.089 0.000 0.839 666 R HN 0.844 nan 8.270 nan 0.000 0.429 667 I N -0.390 120.255 120.570 0.124 0.000 2.252 667 I HA -0.235 3.935 4.170 -0.001 0.000 0.245 667 I C 2.429 178.636 176.117 0.148 0.000 1.102 667 I CA 1.234 62.607 61.300 0.121 0.000 1.385 667 I CB -0.421 37.639 38.000 0.100 0.000 1.064 667 I HN 0.336 nan 8.210 nan 0.000 0.414 668 H N 0.960 120.081 119.070 0.086 0.000 2.387 668 H HA -0.190 4.366 4.556 -0.001 0.000 0.299 668 H C 2.122 177.475 175.328 0.042 0.000 1.090 668 H CA 1.889 57.998 56.048 0.103 0.000 1.332 668 H CB 0.045 29.918 29.762 0.184 0.000 1.386 668 H HN 0.299 nan 8.280 nan 0.000 0.516 669 E N -1.005 119.146 120.200 -0.082 0.000 2.106 669 E HA -0.136 4.214 4.350 -0.001 0.000 0.192 669 E C 1.735 178.190 176.600 -0.242 0.000 0.984 669 E CA 1.462 57.642 56.400 -0.368 0.000 0.806 669 E CB 0.118 29.625 29.700 -0.321 0.000 0.750 669 E HN 0.494 nan 8.360 nan 0.000 0.458 670 T N 0.661 115.165 114.554 -0.084 0.000 2.788 670 T HA -0.124 4.225 4.350 -0.001 0.000 0.268 670 T C 1.449 176.126 174.700 -0.038 0.000 1.044 670 T CA 1.529 63.615 62.100 -0.023 0.000 1.139 670 T CB -0.382 68.526 68.868 0.067 0.000 0.867 670 T HN 0.309 nan 8.240 nan 0.000 0.454 671 N N 0.796 119.463 118.700 -0.056 0.000 2.166 671 N HA 0.014 4.754 4.740 -0.001 0.000 0.186 671 N C 1.731 177.178 175.510 -0.105 0.000 1.019 671 N CA 0.755 53.772 53.050 -0.055 0.000 0.856 671 N CB -0.282 38.212 38.487 0.012 0.000 0.993 671 N HN 0.295 nan 8.380 nan 0.000 0.426 672 L N 1.007 122.100 121.223 -0.216 0.000 2.109 672 L HA -0.093 4.247 4.340 -0.001 0.000 0.207 672 L C 2.028 178.855 176.870 -0.071 0.000 1.086 672 L CA 1.084 55.816 54.840 -0.179 0.000 0.760 672 L CB -0.223 41.662 42.059 -0.290 0.000 0.910 672 L HN 0.092 nan 8.230 nan 0.000 0.437 673 K N -0.224 120.126 120.400 -0.082 0.000 2.148 673 K HA -0.098 4.221 4.320 -0.001 0.000 0.204 673 K C 2.091 178.833 176.600 0.235 0.000 1.050 673 K CA 0.695 57.019 56.287 0.061 0.000 0.942 673 K CB 0.030 32.454 32.500 -0.127 0.000 0.724 673 K HN 0.082 nan 8.250 nan 0.000 0.446 674 K N 0.666 121.065 120.400 -0.002 0.000 2.148 674 K HA -0.058 4.261 4.320 -0.001 0.000 0.204 674 K C 1.444 177.973 176.600 -0.118 0.000 1.050 674 K CA 1.063 57.189 56.287 -0.268 0.000 0.942 674 K CB 0.179 32.501 32.500 -0.296 0.000 0.724 674 K HN 0.137 nan 8.250 nan 0.000 0.446 675 Q N -0.339 119.451 119.800 -0.016 0.000 2.212 675 Q HA 0.153 4.492 4.340 -0.001 0.000 0.213 675 Q C 0.613 176.605 176.000 -0.013 0.000 0.874 675 Q CA 0.244 56.063 55.803 0.027 0.000 0.965 675 Q CB 0.419 29.158 28.738 0.002 0.000 1.074 675 Q HN 0.464 nan 8.270 nan 0.000 0.473 676 G N 0.598 109.452 108.800 0.091 0.000 2.143 676 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.248 676 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.248 676 G C 0.029 175.022 174.900 0.155 0.000 0.991 676 G CA 0.244 45.418 45.100 0.123 0.000 0.689 676 G HN 0.337 nan 8.290 nan 0.000 0.522 677 L N -0.822 120.481 121.223 0.134 0.000 2.376 677 L HA 0.745 5.085 4.340 -0.001 0.000 0.267 677 L C 0.743 177.731 176.870 0.197 0.000 1.035 677 L CA -1.210 53.689 54.840 0.099 0.000 0.800 677 L CB 1.358 43.411 42.059 -0.009 0.000 1.290 677 L HN 0.025 nan 8.230 nan 0.000 0.462 678 L N 2.464 123.741 121.223 0.090 0.000 2.294 678 L HA 0.386 4.726 4.340 -0.001 0.000 0.283 678 L C -2.360 174.538 176.870 0.047 0.000 1.015 678 L CA -1.661 53.215 54.840 0.059 0.000 0.831 678 L CB 1.579 43.530 42.059 -0.179 0.000 1.217 678 L HN 0.232 nan 8.230 nan 0.000 0.420 679 P HA 0.363 nan 4.420 nan 0.000 0.291 679 P C -1.019 176.354 177.300 0.121 0.000 1.340 679 P CA -0.087 62.925 63.100 -0.148 0.000 0.799 679 P CB 0.719 32.013 31.700 -0.677 0.000 0.917 680 L N 2.822 124.192 121.223 0.246 0.000 2.354 680 L HA 0.735 5.075 4.340 -0.001 0.000 0.264 680 L C 0.498 177.428 176.870 0.099 0.000 1.008 680 L CA -0.614 54.320 54.840 0.157 0.000 0.819 680 L CB 2.622 44.677 42.059 -0.007 0.000 1.339 680 L HN 0.265 nan 8.230 nan 0.000 0.420 681 T N -2.450 112.123 114.554 0.031 0.000 2.916 681 T HA 0.608 4.957 4.350 -0.001 0.000 0.292 681 T C -0.517 174.131 174.700 -0.087 0.000 1.055 681 T CA -0.669 61.384 62.100 -0.078 0.000 1.009 681 T CB 1.299 70.212 68.868 0.074 0.000 1.118 681 T HN 0.080 nan 8.240 nan 0.000 0.497 682 F N 1.304 121.273 119.950 0.031 0.000 2.538 682 F HA 0.476 5.002 4.527 -0.001 0.000 0.371 682 F C 1.738 177.550 175.800 0.020 0.000 1.087 682 F CA -0.611 57.405 58.000 0.026 0.000 1.250 682 F CB 0.356 39.374 39.000 0.030 0.000 1.110 682 F HN 0.893 nan 8.300 nan 0.000 0.570 683 A N 1.606 124.542 122.820 0.194 0.000 2.067 683 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 683 A C 0.556 178.199 177.584 0.099 0.000 1.158 683 A CA 1.344 53.444 52.037 0.106 0.000 0.661 683 A CB -0.402 18.639 19.000 0.068 0.000 0.801 683 A HN 0.639 nan 8.150 nan 0.000 0.452 684 D N -1.647 118.825 120.400 0.120 0.000 2.469 684 D HA 0.309 4.948 4.640 -0.001 0.000 0.251 684 D C -2.086 174.232 176.300 0.031 0.000 1.173 684 D CA -2.256 51.779 54.000 0.058 0.000 0.882 684 D CB 1.591 42.407 40.800 0.028 0.000 1.129 684 D HN -0.073 nan 8.370 nan 0.000 0.549 685 P HA -0.141 nan 4.420 nan 0.000 0.222 685 P C 1.001 178.184 177.300 -0.195 0.000 1.142 685 P CA 0.671 63.736 63.100 -0.058 0.000 0.788 685 P CB 0.221 31.907 31.700 -0.023 0.000 0.767 686 A N 0.154 122.894 122.820 -0.133 0.000 2.066 686 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 686 A C 1.884 179.359 177.584 -0.181 0.000 1.157 686 A CA 1.347 53.312 52.037 -0.119 0.000 0.670 686 A CB -0.962 18.001 19.000 -0.062 0.000 0.804 686 A HN 0.045 nan 8.150 nan 0.000 0.453 687 D N -1.598 118.634 120.400 -0.279 0.000 2.310 687 D HA -0.139 4.500 4.640 -0.001 0.000 0.212 687 D C 1.357 177.294 176.300 -0.605 0.000 0.965 687 D CA 0.828 54.631 54.000 -0.329 0.000 0.879 687 D CB -0.351 40.339 40.800 -0.183 0.000 0.921 687 D HN 0.666 nan 8.370 nan 0.000 0.510 688 Y N 1.992 121.604 120.300 -1.148 0.000 2.193 688 Y HA -0.251 4.299 4.550 -0.001 0.000 0.285 688 Y C 1.671 177.342 175.900 -0.381 0.000 1.166 688 Y CA 1.567 59.145 58.100 -0.870 0.000 1.181 688 Y CB -0.133 37.970 38.460 -0.595 0.000 0.976 688 Y HN -0.031 nan 8.280 nan 0.000 0.520 689 N N 0.041 118.636 118.700 -0.176 0.000 2.457 689 N HA -0.094 4.646 4.740 -0.001 0.000 0.180 689 N C 1.377 176.741 175.510 -0.243 0.000 1.050 689 N CA 0.781 53.723 53.050 -0.179 0.000 0.906 689 N CB -0.064 38.390 38.487 -0.056 0.000 0.968 689 N HN 0.280 nan 8.380 nan 0.000 0.445 690 K N 0.815 121.105 120.400 -0.184 0.000 2.217 690 K HA 0.186 4.505 4.320 -0.001 0.000 0.202 690 K C 0.554 177.097 176.600 -0.095 0.000 1.051 690 K CA 0.292 56.546 56.287 -0.054 0.000 0.952 690 K CB 0.159 32.670 32.500 0.019 0.000 0.736 690 K HN 0.145 nan 8.250 nan 0.000 0.453 691 I N 1.449 121.865 120.570 -0.257 0.000 2.325 691 I HA 0.108 4.277 4.170 -0.001 0.000 0.291 691 I C -0.417 175.466 176.117 -0.390 0.000 1.019 691 I CA -0.552 60.634 61.300 -0.190 0.000 1.302 691 I CB 0.896 38.841 38.000 -0.090 0.000 1.401 691 I HN 0.125 nan 8.210 nan 0.000 0.485 692 H N 6.339 125.398 119.070 -0.018 0.000 2.567 692 H HA 0.319 4.875 4.556 -0.001 0.000 0.345 692 H C -1.842 173.474 175.328 -0.021 0.000 1.169 692 H CA -1.968 54.068 56.048 -0.021 0.000 1.227 692 H CB 0.506 30.282 29.762 0.024 0.000 1.607 692 H HN 0.277 nan 8.280 nan 0.000 0.534 693 P HA -0.237 nan 4.420 nan 0.000 0.217 693 P C 1.527 178.846 177.300 0.032 0.000 1.151 693 P CA 1.040 64.165 63.100 0.042 0.000 0.849 693 P CB 0.295 32.021 31.700 0.043 0.000 0.787 694 V N -0.972 118.974 119.914 0.053 0.000 2.809 694 V HA -0.084 4.035 4.120 -0.001 0.000 0.256 694 V C 0.574 176.680 176.094 0.019 0.000 1.080 694 V CA 1.244 63.563 62.300 0.031 0.000 1.102 694 V CB -0.762 31.084 31.823 0.039 0.000 0.705 694 V HN 0.062 nan 8.190 nan 0.000 0.475 695 D N 0.705 121.120 120.400 0.024 0.000 2.358 695 D HA 0.283 4.923 4.640 -0.001 0.000 0.244 695 D C -0.100 176.167 176.300 -0.054 0.000 1.163 695 D CA -0.003 53.971 54.000 -0.043 0.000 0.945 695 D CB 0.671 41.405 40.800 -0.109 0.000 1.152 695 D HN 0.069 nan 8.370 nan 0.000 0.451 696 K N 0.461 120.816 120.400 -0.076 0.000 2.207 696 K HA 0.539 4.859 4.320 -0.001 0.000 0.255 696 K C -0.412 176.149 176.600 -0.066 0.000 0.941 696 K CA -0.625 55.627 56.287 -0.058 0.000 0.825 696 K CB 1.264 33.735 32.500 -0.048 0.000 1.119 696 K HN 0.278 nan 8.250 nan 0.000 0.430 697 L N 1.229 122.424 121.223 -0.047 0.000 2.334 697 L HA 0.560 4.899 4.340 -0.001 0.000 0.276 697 L C -0.133 176.713 176.870 -0.040 0.000 1.014 697 L CA -0.752 54.061 54.840 -0.044 0.000 0.815 697 L CB 2.142 44.181 42.059 -0.032 0.000 1.268 697 L HN 0.419 nan 8.230 nan 0.000 0.428 698 T N 3.513 118.043 114.554 -0.040 0.000 2.812 698 T HA 0.568 4.917 4.350 -0.001 0.000 0.282 698 T C -0.278 174.394 174.700 -0.046 0.000 0.990 698 T CA -0.272 61.806 62.100 -0.036 0.000 0.960 698 T CB 1.177 70.028 68.868 -0.028 0.000 0.948 698 T HN 0.275 nan 8.240 nan 0.000 0.438 699 I N 3.546 124.079 120.570 -0.061 0.000 2.330 699 I HA 0.400 4.570 4.170 -0.001 0.000 0.289 699 I C 0.093 176.153 176.117 -0.094 0.000 1.001 699 I CA -0.561 60.680 61.300 -0.099 0.000 1.193 699 I CB 1.479 39.395 38.000 -0.139 0.000 1.345 699 I HN 0.430 nan 8.210 nan 0.000 0.461 700 Q N 4.483 124.227 119.800 -0.093 0.000 2.353 700 Q HA 0.607 4.946 4.340 -0.001 0.000 0.268 700 Q C 0.270 176.214 176.000 -0.093 0.000 1.045 700 Q CA -0.277 55.486 55.803 -0.067 0.000 0.811 700 Q CB 2.001 30.715 28.738 -0.039 0.000 1.305 700 Q HN 0.887 nan 8.270 nan 0.000 0.447 701 G N 2.725 111.479 108.800 -0.076 0.000 2.164 701 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.154 701 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.154 701 G C 0.341 175.160 174.900 -0.135 0.000 1.014 701 G CA 0.113 45.164 45.100 -0.082 0.000 0.683 701 G HN 0.599 nan 8.290 nan 0.000 0.500 702 L N 0.318 121.452 121.223 -0.149 0.000 2.179 702 L HA 0.035 4.374 4.340 -0.001 0.000 0.208 702 L C 2.810 179.707 176.870 0.044 0.000 1.096 702 L CA 1.349 56.037 54.840 -0.254 0.000 0.779 702 L CB -0.427 41.483 42.059 -0.248 0.000 0.922 702 L HN 0.146 nan 8.230 nan 0.000 0.443 703 K N 0.847 121.369 120.400 0.204 0.000 2.211 703 K HA -0.151 4.168 4.320 -0.001 0.000 0.204 703 K C 0.086 176.785 176.600 0.166 0.000 1.047 703 K CA 1.242 57.691 56.287 0.269 0.000 0.935 703 K CB -0.460 32.147 32.500 0.179 0.000 0.728 703 K HN 0.515 nan 8.250 nan 0.000 0.452 704 D N -0.755 119.705 120.400 0.100 0.000 2.861 704 D HA 0.090 4.729 4.640 -0.001 0.000 0.357 704 D C -0.642 175.719 176.300 0.102 0.000 1.250 704 D CA -0.528 53.525 54.000 0.088 0.000 0.802 704 D CB -0.777 40.059 40.800 0.061 0.000 1.141 704 D HN 0.038 nan 8.370 nan 0.000 0.489 705 F N 1.472 121.351 119.950 -0.118 0.000 2.495 705 F HA 0.435 4.962 4.527 -0.001 0.000 0.365 705 F C -0.106 175.600 175.800 -0.156 0.000 1.090 705 F CA -0.517 57.346 58.000 -0.229 0.000 1.235 705 F CB 0.549 39.292 39.000 -0.427 0.000 1.119 705 F HN 0.300 nan 8.300 nan 0.000 0.562 706 A N 7.050 129.958 122.820 0.148 0.000 2.594 706 A HA 0.585 4.905 4.320 -0.001 0.000 0.295 706 A C -2.881 174.766 177.584 0.106 0.000 1.071 706 A CA -1.758 50.294 52.037 0.026 0.000 0.685 706 A CB 1.591 20.623 19.000 0.054 0.000 1.285 706 A HN 0.479 nan 8.150 nan 0.000 0.405 707 P HA 0.280 nan 4.420 nan 0.000 0.261 707 P C 1.169 178.532 177.300 0.104 0.000 1.183 707 P CA 2.406 65.576 63.100 0.117 0.000 0.761 707 P CB 0.630 32.350 31.700 0.033 0.000 0.785 708 G N 2.493 111.338 108.800 0.075 0.000 2.347 708 G HA2 -0.303 3.657 3.960 -0.001 0.000 0.247 708 G HA3 -0.303 3.657 3.960 -0.001 0.000 0.247 708 G C 0.379 175.251 174.900 -0.048 0.000 1.037 708 G CA -0.046 45.038 45.100 -0.027 0.000 0.622 708 G HN 0.636 nan 8.290 nan 0.000 0.521 709 K N 2.602 123.027 120.400 0.041 0.000 2.339 709 K HA 0.366 4.685 4.320 -0.001 0.000 0.286 709 K C -1.792 174.812 176.600 0.007 0.000 1.050 709 K CA -1.495 54.818 56.287 0.043 0.000 0.956 709 K CB 1.065 33.622 32.500 0.094 0.000 0.990 709 K HN 0.204 nan 8.250 nan 0.000 0.475 710 P HA 0.033 nan 4.420 nan 0.000 0.272 710 P C -0.610 176.698 177.300 0.014 0.000 1.240 710 P CA -0.085 62.987 63.100 -0.046 0.000 0.791 710 P CB 0.825 32.499 31.700 -0.042 0.000 0.978 711 L N 0.990 122.216 121.223 0.006 0.000 2.331 711 L HA 0.455 4.795 4.340 -0.001 0.000 0.275 711 L C 0.809 177.649 176.870 -0.050 0.000 1.022 711 L CA -0.879 53.926 54.840 -0.058 0.000 0.812 711 L CB 1.564 43.531 42.059 -0.153 0.000 1.257 711 L HN 0.352 nan 8.230 nan 0.000 0.435 712 K N 1.497 121.863 120.400 -0.057 0.000 2.159 712 K HA 0.446 4.766 4.320 -0.001 0.000 0.266 712 K C -1.435 175.141 176.600 -0.041 0.000 0.975 712 K CA -0.454 55.813 56.287 -0.032 0.000 0.865 712 K CB 1.581 34.067 32.500 -0.024 0.000 1.087 712 K HN 0.597 nan 8.250 nan 0.000 0.446 713 C N 6.261 125.550 119.300 -0.019 0.000 2.364 713 C HA 0.579 5.039 4.460 -0.001 0.000 0.324 713 C C -0.839 174.148 174.990 -0.004 0.000 1.234 713 C CA -0.794 58.212 59.018 -0.019 0.000 1.417 713 C CB -0.386 27.347 27.740 -0.011 0.000 2.101 713 C HN 0.851 nan 8.230 nan 0.000 0.466 714 I N 7.407 127.967 120.570 -0.017 0.000 2.328 714 I HA 0.380 4.549 4.170 -0.001 0.000 0.287 714 I C -0.012 176.081 176.117 -0.039 0.000 1.012 714 I CA -0.057 61.233 61.300 -0.017 0.000 1.195 714 I CB 1.018 39.008 38.000 -0.017 0.000 1.350 714 I HN 0.512 nan 8.210 nan 0.000 0.464 715 I N 6.755 127.295 120.570 -0.051 0.000 2.371 715 I HA 0.207 4.377 4.170 -0.001 0.000 0.290 715 I C -0.005 175.977 176.117 -0.225 0.000 1.028 715 I CA -0.391 60.825 61.300 -0.140 0.000 1.345 715 I CB 0.482 38.398 38.000 -0.139 0.000 1.407 715 I HN 0.431 nan 8.210 nan 0.000 0.501 716 K N 5.687 125.947 120.400 -0.234 0.000 2.389 716 K HA 0.378 4.698 4.320 -0.001 0.000 0.261 716 K C -0.635 175.834 176.600 -0.218 0.000 1.014 716 K CA -0.495 55.690 56.287 -0.171 0.000 0.920 716 K CB 0.618 33.072 32.500 -0.076 0.000 1.149 716 K HN 0.411 nan 8.250 nan 0.000 0.444 717 H N 2.316 121.392 119.070 0.010 0.000 2.551 717 H HA 0.063 4.619 4.556 -0.001 0.000 0.358 717 H C -1.657 173.665 175.328 -0.009 0.000 1.151 717 H CA -2.021 54.028 56.048 0.002 0.000 1.374 717 H CB 1.002 30.760 29.762 -0.006 0.000 1.473 717 H HN 0.363 nan 8.280 nan 0.000 0.574 718 P HA -0.172 nan 4.420 nan 0.000 0.217 718 P C 0.955 178.280 177.300 0.041 0.000 1.148 718 P CA 1.399 64.528 63.100 0.048 0.000 0.828 718 P CB 0.202 31.919 31.700 0.028 0.000 0.783 719 N N -0.987 117.742 118.700 0.048 0.000 2.421 719 N HA 0.061 4.800 4.740 -0.001 0.000 0.201 719 N C 1.227 176.757 175.510 0.033 0.000 1.198 719 N CA 0.670 53.734 53.050 0.024 0.000 0.838 719 N CB -1.117 37.368 38.487 -0.003 0.000 1.011 719 N HN 0.197 nan 8.380 nan 0.000 0.463 720 G N -0.461 108.370 108.800 0.051 0.000 2.328 720 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.256 720 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.256 720 G C 0.330 175.268 174.900 0.062 0.000 1.014 720 G CA 0.827 45.953 45.100 0.044 0.000 0.620 720 G HN 0.863 nan 8.290 nan 0.000 0.530 721 T N -0.251 114.351 114.554 0.081 0.000 2.926 721 T HA 0.502 4.851 4.350 -0.001 0.000 0.307 721 T C 0.136 174.954 174.700 0.196 0.000 1.059 721 T CA 0.716 62.875 62.100 0.099 0.000 1.122 721 T CB 1.541 70.438 68.868 0.049 0.000 0.972 721 T HN 1.215 nan 8.240 nan 0.000 0.545 722 Q N 0.844 120.730 119.800 0.144 0.000 2.433 722 Q HA 0.669 5.009 4.340 -0.001 0.000 0.279 722 Q C -1.311 174.765 176.000 0.127 0.000 1.105 722 Q CA -1.114 54.768 55.803 0.132 0.000 0.815 722 Q CB 2.267 31.033 28.738 0.047 0.000 1.403 722 Q HN 0.788 nan 8.270 nan 0.000 0.435 723 E N 0.387 120.651 120.200 0.107 0.000 2.369 723 E HA 0.506 4.856 4.350 -0.001 0.000 0.270 723 E C -1.297 175.334 176.600 0.052 0.000 0.909 723 E CA -0.992 55.465 56.400 0.095 0.000 0.775 723 E CB 2.649 32.436 29.700 0.145 0.000 1.270 723 E HN 0.562 nan 8.360 nan 0.000 0.445 724 T N 1.930 116.510 114.554 0.043 0.000 2.812 724 T HA 0.544 4.894 4.350 -0.001 0.000 0.282 724 T C -0.390 174.334 174.700 0.039 0.000 0.990 724 T CA -0.529 61.589 62.100 0.030 0.000 0.960 724 T CB 0.387 69.267 68.868 0.022 0.000 0.948 724 T HN 0.415 nan 8.240 nan 0.000 0.438 725 I N 0.520 121.118 120.570 0.046 0.000 3.067 725 I HA 0.706 4.875 4.170 -0.001 0.000 0.312 725 I C -1.119 175.030 176.117 0.053 0.000 1.073 725 I CA -1.367 59.972 61.300 0.064 0.000 1.016 725 I CB 1.489 39.553 38.000 0.108 0.000 1.227 725 I HN 0.308 nan 8.210 nan 0.000 0.456 726 L N 3.048 124.307 121.223 0.061 0.000 2.334 726 L HA 0.635 4.975 4.340 -0.001 0.000 0.272 726 L C -0.834 176.069 176.870 0.054 0.000 1.020 726 L CA -0.863 54.001 54.840 0.040 0.000 0.812 726 L CB 1.936 44.012 42.059 0.028 0.000 1.264 726 L HN 0.547 nan 8.230 nan 0.000 0.439 727 L N 2.474 123.709 121.223 0.019 0.000 2.436 727 L HA 0.473 4.812 4.340 -0.001 0.000 0.268 727 L C -0.583 176.289 176.870 0.002 0.000 0.974 727 L CA -0.706 54.138 54.840 0.007 0.000 0.826 727 L CB 2.292 44.328 42.059 -0.040 0.000 1.291 727 L HN 0.562 nan 8.230 nan 0.000 0.406 728 N N 0.633 119.337 118.700 0.006 0.000 2.476 728 N HA 0.609 5.349 4.740 -0.001 0.000 0.276 728 N C -1.025 174.530 175.510 0.076 0.000 1.204 728 N CA -0.520 52.503 53.050 -0.045 0.000 0.974 728 N CB 1.582 40.049 38.487 -0.033 0.000 1.204 728 N HN 0.666 nan 8.380 nan 0.000 0.543 729 H N -4.046 115.097 119.070 0.122 0.000 3.042 729 H HA 0.386 4.941 4.556 -0.001 0.000 0.346 729 H C -0.571 174.880 175.328 0.206 0.000 1.294 729 H CA -0.869 55.307 56.048 0.213 0.000 1.141 729 H CB 0.451 30.391 29.762 0.298 0.000 1.872 729 H HN 0.391 nan 8.280 nan 0.000 0.541 730 T N -0.813 113.969 114.554 0.380 0.000 3.248 730 T HA 0.331 4.681 4.350 -0.001 0.000 0.271 730 T C -0.384 174.472 174.700 0.259 0.000 1.005 730 T CA -0.493 61.764 62.100 0.262 0.000 0.902 730 T CB -1.121 67.832 68.868 0.142 0.000 1.102 730 T HN 0.334 nan 8.240 nan 0.000 0.548 731 F N 3.936 123.962 119.950 0.126 0.000 2.484 731 F HA 0.382 4.908 4.527 -0.001 0.000 0.360 731 F C 1.081 176.762 175.800 -0.198 0.000 1.101 731 F CA -0.842 57.037 58.000 -0.201 0.000 1.251 731 F CB 0.596 39.276 39.000 -0.534 0.000 1.132 731 F HN 0.307 nan 8.300 nan 0.000 0.570 732 N N 1.089 119.666 118.700 -0.205 0.000 2.518 732 N HA 0.165 4.904 4.740 -0.001 0.000 0.284 732 N C 0.241 175.564 175.510 -0.313 0.000 1.230 732 N CA -0.795 52.127 53.050 -0.214 0.000 0.941 732 N CB 0.476 38.793 38.487 -0.284 0.000 1.219 732 N HN 0.611 nan 8.380 nan 0.000 0.560 733 E N -0.767 119.281 120.200 -0.254 0.000 2.209 733 E HA -0.155 4.194 4.350 -0.001 0.000 0.196 733 E C 0.786 177.189 176.600 -0.328 0.000 0.993 733 E CA 1.689 57.933 56.400 -0.261 0.000 0.819 733 E CB -0.218 29.382 29.700 -0.167 0.000 0.745 733 E HN 0.668 nan 8.360 nan 0.000 0.477 734 T N 0.922 115.223 114.554 -0.422 0.000 2.777 734 T HA -0.173 4.177 4.350 -0.001 0.000 0.266 734 T C 1.803 175.935 174.700 -0.946 0.000 1.040 734 T CA 1.144 62.927 62.100 -0.528 0.000 1.141 734 T CB -0.098 68.458 68.868 -0.520 0.000 0.868 734 T HN 0.210 nan 8.240 nan 0.000 0.444 735 Q N 0.092 119.242 119.800 -1.084 0.000 2.123 735 Q HA 0.112 4.452 4.340 -0.001 0.000 0.199 735 Q C 2.343 178.155 176.000 -0.315 0.000 0.966 735 Q CA 0.892 55.974 55.803 -1.201 0.000 0.845 735 Q CB -0.261 27.866 28.738 -1.018 0.000 0.907 735 Q HN 0.508 nan 8.270 nan 0.000 0.439 736 I N 1.023 121.412 120.570 -0.301 0.000 2.361 736 I HA -0.242 3.927 4.170 -0.001 0.000 0.251 736 I C 1.976 178.040 176.117 -0.090 0.000 1.133 736 I CA 0.838 61.915 61.300 -0.371 0.000 1.413 736 I CB -0.180 37.420 38.000 -0.666 0.000 1.073 736 I HN 0.159 nan 8.210 nan 0.000 0.424 737 E N 0.150 120.284 120.200 -0.109 0.000 2.204 737 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 737 E C 1.950 178.684 176.600 0.223 0.000 0.989 737 E CA 0.989 57.411 56.400 0.037 0.000 0.824 737 E CB -0.150 29.552 29.700 0.003 0.000 0.756 737 E HN 0.552 nan 8.360 nan 0.000 0.477 738 W N 0.298 121.635 121.300 0.062 0.000 2.379 738 W HA -0.098 4.562 4.660 -0.001 0.000 0.307 738 W C 2.224 178.818 176.519 0.126 0.000 1.200 738 W CA 0.084 57.477 57.345 0.079 0.000 1.297 738 W CB -1.582 27.922 29.460 0.074 0.000 1.140 738 W HN 0.073 nan 8.180 nan 0.000 0.507 739 F N 1.559 121.674 119.950 0.276 0.000 2.102 739 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 739 F C 2.588 178.452 175.800 0.106 0.000 1.105 739 F CA 2.104 60.191 58.000 0.144 0.000 1.239 739 F CB -0.623 38.392 39.000 0.025 0.000 0.991 739 F HN -0.279 nan 8.300 nan 0.000 0.474 740 R N 0.374 120.897 120.500 0.039 0.000 2.094 740 R HA -0.177 4.162 4.340 -0.001 0.000 0.239 740 R C 2.395 178.751 176.300 0.093 0.000 1.137 740 R CA 1.776 57.947 56.100 0.118 0.000 0.943 740 R CB -0.985 29.458 30.300 0.238 0.000 0.850 740 R HN 0.418 nan 8.270 nan 0.000 0.433 741 A N -1.208 121.673 122.820 0.101 0.000 2.172 741 A HA 0.097 4.417 4.320 -0.001 0.000 0.216 741 A C 1.616 179.234 177.584 0.056 0.000 1.154 741 A CA 1.412 53.499 52.037 0.083 0.000 0.701 741 A CB -0.327 18.737 19.000 0.106 0.000 0.789 741 A HN 0.579 nan 8.150 nan 0.000 0.465 742 G N -1.906 106.908 108.800 0.022 0.000 2.259 742 G HA2 -0.077 3.882 3.960 -0.001 0.000 0.217 742 G HA3 -0.077 3.882 3.960 -0.001 0.000 0.217 742 G C 0.382 175.338 174.900 0.094 0.000 1.001 742 G CA 0.552 45.669 45.100 0.028 0.000 0.627 742 G HN 2.148 nan 8.290 nan 0.000 0.501 743 S N -1.960 113.807 115.700 0.113 0.000 2.656 743 S HA 0.766 5.235 4.470 -0.001 0.000 0.265 743 S C 0.819 175.423 174.600 0.008 0.000 1.110 743 S CA 0.623 58.887 58.200 0.107 0.000 0.821 743 S CB 0.827 64.144 63.200 0.195 0.000 1.099 743 S HN 1.790 nan 8.310 nan 0.000 0.471 744 A N 0.042 122.730 122.820 -0.220 0.000 2.014 744 A HA 0.175 4.495 4.320 -0.001 0.000 0.218 744 A C 1.911 179.341 177.584 -0.256 0.000 1.163 744 A CA 1.461 53.175 52.037 -0.538 0.000 0.652 744 A CB -0.799 17.469 19.000 -1.220 0.000 0.808 744 A HN 0.986 nan 8.150 nan 0.000 0.449 745 L N 0.358 121.482 121.223 -0.164 0.000 2.056 745 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 745 L C 1.814 178.646 176.870 -0.062 0.000 1.078 745 L CA 2.015 56.790 54.840 -0.109 0.000 0.749 745 L CB -0.875 41.119 42.059 -0.108 0.000 0.901 745 L HN 0.310 nan 8.230 nan 0.000 0.433 746 N N -0.088 118.593 118.700 -0.032 0.000 2.069 746 N HA -0.245 4.495 4.740 -0.001 0.000 0.191 746 N C 1.985 177.504 175.510 0.014 0.000 1.031 746 N CA 1.560 54.607 53.050 -0.005 0.000 0.852 746 N CB -0.333 38.170 38.487 0.026 0.000 1.018 746 N HN 0.281 nan 8.380 nan 0.000 0.423 747 R N 0.721 121.246 120.500 0.042 0.000 2.081 747 R HA 0.034 4.374 4.340 -0.001 0.000 0.235 747 R C 2.178 178.511 176.300 0.055 0.000 1.131 747 R CA 1.204 57.353 56.100 0.082 0.000 0.960 747 R CB -0.420 29.992 30.300 0.187 0.000 0.856 747 R HN 0.259 nan 8.270 nan 0.000 0.436 748 M N 0.300 119.913 119.600 0.022 0.000 2.202 748 M HA -0.190 4.290 4.480 -0.001 0.000 0.262 748 M C 1.345 177.643 176.300 -0.003 0.000 1.063 748 M CA 1.815 57.122 55.300 0.012 0.000 1.097 748 M CB 0.013 32.602 32.600 -0.019 0.000 1.382 748 M HN 0.123 nan 8.290 nan 0.000 0.413 749 K N -0.125 120.265 120.400 -0.016 0.000 2.155 749 K HA -0.108 4.212 4.320 -0.001 0.000 0.203 749 K C 1.640 178.236 176.600 -0.006 0.000 1.052 749 K CA 1.235 57.508 56.287 -0.024 0.000 0.948 749 K CB -0.117 32.360 32.500 -0.038 0.000 0.728 749 K HN 0.541 nan 8.250 nan 0.000 0.448 750 E N 0.872 121.078 120.200 0.010 0.000 2.268 750 E HA -0.087 4.262 4.350 -0.001 0.000 0.195 750 E C 1.182 177.793 176.600 0.018 0.000 0.995 750 E CA 0.549 56.959 56.400 0.016 0.000 0.836 750 E CB 0.035 29.753 29.700 0.029 0.000 0.763 750 E HN 0.233 nan 8.360 nan 0.000 0.491 751 L N 1.422 122.659 121.223 0.022 0.000 2.682 751 L HA -0.020 4.319 4.340 -0.001 0.000 0.240 751 L C 1.418 178.296 176.870 0.013 0.000 1.178 751 L CA -0.109 54.744 54.840 0.023 0.000 0.970 751 L CB -0.248 41.831 42.059 0.034 0.000 1.179 751 L HN 0.151 nan 8.230 nan 0.000 0.435 752 Q N -0.579 119.223 119.800 0.005 0.000 2.175 752 Q HA 0.165 4.504 4.340 -0.001 0.000 0.177 752 Q C 0.389 176.387 176.000 -0.002 0.000 0.636 752 Q CA -0.314 55.489 55.803 -0.001 0.000 0.657 752 Q CB 0.034 28.765 28.738 -0.011 0.000 1.760 752 Q HN 0.210 nan 8.270 nan 0.000 0.417 753 Q N 1.817 121.613 119.800 -0.008 0.000 2.237 753 Q HA 0.278 4.617 4.340 -0.001 0.000 0.252 753 Q C -0.079 175.917 176.000 -0.006 0.000 0.877 753 Q CA -0.135 55.664 55.803 -0.007 0.000 1.011 753 Q CB 0.792 29.523 28.738 -0.011 0.000 1.118 753 Q HN 0.436 nan 8.270 nan 0.000 0.458 754 K N 0.000 120.398 120.400 -0.003 0.000 2.780 754 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 754 K CA 0.000 56.287 56.287 -0.001 0.000 0.838 754 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543