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 7acn_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 0.000 176.285 176.300 -0.025 0.000 0.893 2 R CA 0.000 56.115 56.100 0.025 0.000 0.921 2 R CB 0.000 30.343 30.300 0.072 0.000 0.687 3 A N 1.142 123.953 122.820 -0.015 0.000 2.351 3 A HA 0.484 4.804 4.320 0.001 0.000 0.257 3 A C -0.882 176.567 177.584 -0.226 0.000 1.087 3 A CA 0.136 52.129 52.037 -0.073 0.000 0.798 3 A CB 0.238 19.234 19.000 -0.006 0.000 1.033 3 A HN 0.382 nan 8.150 nan 0.000 0.488 4 K N 1.547 121.743 120.400 -0.339 0.000 2.499 4 K HA 0.433 4.754 4.320 0.001 0.000 0.215 4 K C -1.413 174.947 176.600 -0.400 0.000 1.041 4 K CA -0.128 55.703 56.287 -0.761 0.000 1.031 4 K CB 1.192 33.170 32.500 -0.870 0.000 1.479 4 K HN 0.386 nan 8.250 nan 0.000 0.518 5 V N 2.226 122.037 119.914 -0.171 0.000 2.370 5 V HA 0.388 4.508 4.120 0.001 0.000 0.283 5 V C 0.280 176.434 176.094 0.100 0.000 1.023 5 V CA -0.980 61.300 62.300 -0.033 0.000 0.857 5 V CB 1.360 33.120 31.823 -0.105 0.000 0.985 5 V HN 0.702 nan 8.190 nan 0.000 0.443 6 A N 5.209 128.109 122.820 0.133 0.000 2.386 6 A HA 0.430 4.751 4.320 0.001 0.000 0.248 6 A C 1.190 178.707 177.584 -0.111 0.000 1.082 6 A CA -0.158 51.898 52.037 0.032 0.000 0.789 6 A CB 0.230 19.218 19.000 -0.020 0.000 1.025 6 A HN 0.908 nan 8.150 nan 0.000 0.490 7 M N 1.027 120.543 119.600 -0.140 0.000 2.296 7 M HA -0.054 4.426 4.480 0.001 0.000 0.265 7 M C 0.782 177.062 176.300 -0.033 0.000 1.064 7 M CA 1.641 56.863 55.300 -0.130 0.000 1.109 7 M CB -0.362 32.258 32.600 0.033 0.000 1.396 7 M HN 0.934 nan 8.290 nan 0.000 0.430 8 S N -2.849 112.832 115.700 -0.032 0.000 2.661 8 S HA 0.280 4.751 4.470 0.001 0.000 0.268 8 S C 0.069 174.590 174.600 -0.131 0.000 1.162 8 S CA -1.025 57.118 58.200 -0.095 0.000 0.817 8 S CB 0.549 63.806 63.200 0.095 0.000 1.141 8 S HN 0.158 nan 8.310 nan 0.000 0.477 9 H N 0.173 118.964 119.070 -0.466 0.000 2.521 9 H HA 0.231 4.788 4.556 0.001 0.000 0.286 9 H C 0.727 175.614 175.328 -0.736 0.000 1.034 9 H CA 0.958 56.612 56.048 -0.656 0.000 1.278 9 H CB -0.408 28.822 29.762 -0.886 0.000 1.386 9 H HN 0.596 nan 8.280 nan 0.000 0.567 10 F N 0.063 120.006 119.950 -0.011 0.000 2.746 10 F HA 0.191 4.719 4.527 0.001 0.000 0.297 10 F C 0.323 176.124 175.800 0.001 0.000 1.113 10 F CA 0.132 58.096 58.000 -0.060 0.000 1.367 10 F CB 0.471 39.391 39.000 -0.133 0.000 1.111 10 F HN -0.042 nan 8.300 nan 0.000 0.590 11 E N 1.142 121.385 120.200 0.071 0.000 3.108 11 E HA 0.169 4.519 4.350 0.001 0.000 0.228 11 E C -1.950 174.431 176.600 -0.364 0.000 1.176 11 E CA -1.502 54.821 56.400 -0.128 0.000 0.881 11 E CB 0.892 30.525 29.700 -0.111 0.000 1.354 11 E HN -0.062 nan 8.360 nan 0.000 0.400 12 P HA -0.157 nan 4.420 nan 0.000 0.230 12 P C 0.392 177.577 177.300 -0.192 0.000 1.158 12 P CA 1.144 64.182 63.100 -0.103 0.000 0.769 12 P CB 0.068 31.774 31.700 0.009 0.000 0.807 13 H N -3.449 115.459 119.070 -0.270 0.000 2.705 13 H HA 0.329 4.886 4.556 0.001 0.000 0.269 13 H C 0.319 175.186 175.328 -0.769 0.000 0.998 13 H CA -0.314 55.439 56.048 -0.491 0.000 1.193 13 H CB -0.197 29.439 29.762 -0.210 0.000 1.485 13 H HN -0.110 nan 8.280 nan 0.000 0.521 14 E N 1.751 121.409 120.200 -0.905 0.000 2.081 14 E HA 0.142 4.492 4.350 0.001 0.000 0.281 14 E C -1.113 175.207 176.600 -0.466 0.000 0.986 14 E CA -0.522 55.553 56.400 -0.542 0.000 0.796 14 E CB 0.778 30.267 29.700 -0.352 0.000 1.085 14 E HN 0.377 nan 8.360 nan 0.000 0.398 15 Y N 1.284 121.535 120.300 -0.083 0.000 2.352 15 Y HA 0.336 4.887 4.550 0.001 0.000 0.326 15 Y C 1.079 176.883 175.900 -0.160 0.000 1.166 15 Y CA -1.003 57.023 58.100 -0.122 0.000 1.182 15 Y CB 0.757 39.163 38.460 -0.090 0.000 1.216 15 Y HN 0.341 nan 8.280 nan 0.000 0.474 16 I N 4.499 125.006 120.570 -0.106 0.000 2.598 16 I HA 0.041 4.211 4.170 0.001 0.000 0.284 16 I C 0.286 176.238 176.117 -0.275 0.000 1.140 16 I CA 0.033 61.139 61.300 -0.324 0.000 1.420 16 I CB 0.308 37.873 38.000 -0.724 0.000 1.387 16 I HN 0.380 nan 8.210 nan 0.000 0.553 17 R N 6.795 127.181 120.500 -0.191 0.000 3.785 17 R HA 0.141 4.481 4.340 0.001 0.000 0.255 17 R C 0.085 176.291 176.300 -0.156 0.000 1.485 17 R CA -0.410 55.611 56.100 -0.132 0.000 1.555 17 R CB -0.394 29.885 30.300 -0.035 0.000 1.362 17 R HN 0.560 nan 8.270 nan 0.000 0.702 18 Y N 0.984 121.060 120.300 -0.373 0.000 2.439 18 Y HA -0.163 4.387 4.550 0.001 0.000 0.292 18 Y C 1.975 177.534 175.900 -0.569 0.000 1.130 18 Y CA 0.734 58.447 58.100 -0.644 0.000 1.254 18 Y CB -0.061 37.561 38.460 -1.397 0.000 1.000 18 Y HN 0.386 nan 8.280 nan 0.000 0.554 19 D N -0.473 119.813 120.400 -0.190 0.000 2.117 19 D HA -0.185 4.455 4.640 0.001 0.000 0.197 19 D C 2.072 178.371 176.300 -0.000 0.000 0.987 19 D CA 0.956 54.971 54.000 0.025 0.000 0.829 19 D CB -0.543 40.294 40.800 0.062 0.000 0.961 19 D HN 0.182 nan 8.370 nan 0.000 0.460 20 L N 0.192 121.395 121.223 -0.034 0.000 2.017 20 L HA -0.082 4.259 4.340 0.001 0.000 0.208 20 L C 2.694 179.523 176.870 -0.068 0.000 1.073 20 L CA 0.922 55.740 54.840 -0.037 0.000 0.745 20 L CB -1.117 40.918 42.059 -0.040 0.000 0.894 20 L HN 0.135 nan 8.230 nan 0.000 0.432 21 L N 0.386 121.547 121.223 -0.102 0.000 1.989 21 L HA -0.259 4.081 4.340 0.001 0.000 0.211 21 L C 2.588 179.382 176.870 -0.126 0.000 1.071 21 L CA 2.134 56.900 54.840 -0.124 0.000 0.749 21 L CB -0.575 41.435 42.059 -0.081 0.000 0.890 21 L HN 0.346 nan 8.230 nan 0.000 0.431 22 E N -0.514 119.572 120.200 -0.191 0.000 2.038 22 E HA -0.324 4.027 4.350 0.001 0.000 0.195 22 E C 2.327 178.876 176.600 -0.086 0.000 1.000 22 E CA 1.738 57.961 56.400 -0.296 0.000 0.803 22 E CB -0.248 29.343 29.700 -0.181 0.000 0.750 22 E HN 0.478 nan 8.360 nan 0.000 0.448 23 K N -0.031 120.353 120.400 -0.028 0.000 2.063 23 K HA -0.199 4.122 4.320 0.001 0.000 0.208 23 K C 1.844 178.452 176.600 0.014 0.000 1.048 23 K CA 1.719 58.010 56.287 0.008 0.000 0.928 23 K CB -0.036 32.472 32.500 0.014 0.000 0.713 23 K HN 0.121 nan 8.250 nan 0.000 0.442 24 N N 0.802 119.504 118.700 0.004 0.000 2.207 24 N HA -0.061 4.679 4.740 0.001 0.000 0.182 24 N C 1.867 177.410 175.510 0.055 0.000 1.020 24 N CA 0.910 53.977 53.050 0.027 0.000 0.858 24 N CB -0.154 38.346 38.487 0.022 0.000 0.991 24 N HN 0.213 nan 8.380 nan 0.000 0.427 25 I N 0.846 121.450 120.570 0.056 0.000 2.208 25 I HA -0.283 3.888 4.170 0.001 0.000 0.245 25 I C 1.945 178.120 176.117 0.097 0.000 1.097 25 I CA 1.419 62.779 61.300 0.100 0.000 1.363 25 I CB -0.217 37.851 38.000 0.113 0.000 1.051 25 I HN 0.086 nan 8.210 nan 0.000 0.413 26 D N 1.024 121.470 120.400 0.076 0.000 2.144 26 D HA -0.147 4.493 4.640 0.001 0.000 0.200 26 D C 2.171 178.505 176.300 0.056 0.000 0.978 26 D CA 1.153 55.197 54.000 0.074 0.000 0.833 26 D CB 0.027 40.868 40.800 0.069 0.000 0.961 26 D HN 0.281 nan 8.370 nan 0.000 0.470 27 I N -0.319 120.279 120.570 0.047 0.000 2.179 27 I HA -0.233 3.937 4.170 0.001 0.000 0.242 27 I C 2.318 178.455 176.117 0.033 0.000 1.088 27 I CA 0.602 61.923 61.300 0.035 0.000 1.357 27 I CB -0.225 37.792 38.000 0.029 0.000 1.051 27 I HN 0.018 nan 8.210 nan 0.000 0.409 28 V N 1.772 121.715 119.914 0.048 0.000 2.358 28 V HA -0.249 3.872 4.120 0.001 0.000 0.246 28 V C 2.628 178.753 176.094 0.052 0.000 1.047 28 V CA 2.258 64.583 62.300 0.042 0.000 1.035 28 V CB -0.796 31.081 31.823 0.089 0.000 0.658 28 V HN 0.526 nan 8.190 nan 0.000 0.452 29 R N 0.325 120.870 120.500 0.075 0.000 2.148 29 R HA -0.138 4.203 4.340 0.001 0.000 0.227 29 R C 2.083 178.407 176.300 0.041 0.000 1.103 29 R CA 1.321 57.461 56.100 0.066 0.000 0.983 29 R CB -0.471 29.874 30.300 0.075 0.000 0.874 29 R HN 0.248 nan 8.270 nan 0.000 0.451 30 K N 0.866 121.287 120.400 0.035 0.000 2.209 30 K HA -0.035 4.285 4.320 0.001 0.000 0.204 30 K C 2.053 178.660 176.600 0.011 0.000 1.048 30 K CA 1.466 57.766 56.287 0.022 0.000 0.940 30 K CB 0.032 32.544 32.500 0.021 0.000 0.729 30 K HN 0.265 nan 8.250 nan 0.000 0.451 31 R N -0.655 119.849 120.500 0.007 0.000 2.100 31 R HA 0.133 4.473 4.340 0.001 0.000 0.220 31 R C 1.908 178.203 176.300 -0.009 0.000 1.091 31 R CA 0.820 56.916 56.100 -0.007 0.000 0.986 31 R CB 0.005 30.293 30.300 -0.020 0.000 0.888 31 R HN 0.123 nan 8.270 nan 0.000 0.444 32 L N 0.171 121.394 121.223 -0.000 0.000 2.354 32 L HA 0.097 4.437 4.340 0.001 0.000 0.212 32 L C -0.008 176.865 176.870 0.005 0.000 1.091 32 L CA -0.008 54.833 54.840 0.000 0.000 0.828 32 L CB -0.167 41.902 42.059 0.018 0.000 0.973 32 L HN 0.220 nan 8.230 nan 0.000 0.461 33 N N 2.119 120.825 118.700 0.011 0.000 2.714 33 N HA -0.191 4.549 4.740 0.001 0.000 0.253 33 N C -0.344 175.167 175.510 0.003 0.000 1.024 33 N CA 0.974 54.028 53.050 0.006 0.000 0.726 33 N CB -0.685 37.802 38.487 -0.001 0.000 0.908 33 N HN 0.599 nan 8.380 nan 0.000 0.542 34 R N -2.645 117.861 120.500 0.010 0.000 2.716 34 R HA 0.627 4.967 4.340 0.001 0.000 0.271 34 R C -3.273 173.032 176.300 0.009 0.000 1.028 34 R CA -1.425 54.676 56.100 0.002 0.000 0.883 34 R CB 0.437 30.736 30.300 -0.002 0.000 1.250 34 R HN -0.245 nan 8.270 nan 0.000 0.465 35 P HA 0.105 nan 4.420 nan 0.000 0.266 35 P C -0.905 176.384 177.300 -0.018 0.000 1.195 35 P CA -0.120 62.968 63.100 -0.020 0.000 0.768 35 P CB 0.471 32.143 31.700 -0.047 0.000 0.838 36 L N 2.131 123.346 121.223 -0.013 0.000 2.317 36 L HA 0.397 4.737 4.340 0.001 0.000 0.281 36 L C 1.214 178.042 176.870 -0.070 0.000 1.024 36 L CA -0.757 54.075 54.840 -0.013 0.000 0.810 36 L CB 1.578 43.656 42.059 0.031 0.000 1.240 36 L HN 0.427 nan 8.230 nan 0.000 0.427 37 T N -0.910 113.579 114.554 -0.110 0.000 2.701 37 T HA 0.068 4.418 4.350 0.001 0.000 0.303 37 T C 1.010 175.682 174.700 -0.048 0.000 1.030 37 T CA -0.537 61.497 62.100 -0.111 0.000 1.010 37 T CB 0.862 69.681 68.868 -0.082 0.000 1.007 37 T HN 0.470 nan 8.240 nan 0.000 0.532 38 L N 1.319 122.547 121.223 0.007 0.000 2.046 38 L HA -0.048 4.293 4.340 0.001 0.000 0.208 38 L C 2.776 179.646 176.870 0.000 0.000 1.077 38 L CA 2.590 57.448 54.840 0.030 0.000 0.747 38 L CB -1.404 40.700 42.059 0.075 0.000 0.896 38 L HN 0.966 nan 8.230 nan 0.000 0.432 39 S N -1.472 114.218 115.700 -0.016 0.000 2.383 39 S HA -0.188 4.282 4.470 0.001 0.000 0.227 39 S C 1.787 176.281 174.600 -0.176 0.000 1.026 39 S CA 1.158 59.328 58.200 -0.049 0.000 0.981 39 S CB -0.728 62.455 63.200 -0.029 0.000 0.818 39 S HN 0.644 nan 8.310 nan 0.000 0.472 40 E N 1.489 121.511 120.200 -0.295 0.000 2.106 40 E HA -0.088 4.262 4.350 0.001 0.000 0.192 40 E C 2.196 178.491 176.600 -0.509 0.000 0.984 40 E CA 1.008 56.970 56.400 -0.730 0.000 0.806 40 E CB -0.129 29.220 29.700 -0.585 0.000 0.750 40 E HN 0.589 nan 8.360 nan 0.000 0.458 41 K N 0.531 120.830 120.400 -0.169 0.000 2.026 41 K HA -0.125 4.195 4.320 0.001 0.000 0.208 41 K C 2.147 178.770 176.600 0.039 0.000 1.048 41 K CA 1.159 57.439 56.287 -0.012 0.000 0.929 41 K CB -0.082 32.450 32.500 0.054 0.000 0.713 41 K HN 0.113 nan 8.250 nan 0.000 0.439 42 I N 0.311 120.909 120.570 0.047 0.000 2.286 42 I HA -0.221 3.949 4.170 0.001 0.000 0.245 42 I C 2.184 178.444 176.117 0.240 0.000 1.104 42 I CA 0.753 62.151 61.300 0.163 0.000 1.397 42 I CB -0.126 37.951 38.000 0.129 0.000 1.072 42 I HN -0.067 nan 8.210 nan 0.000 0.417 43 V N 0.304 120.268 119.914 0.082 0.000 2.244 43 V HA -0.275 3.845 4.120 0.001 0.000 0.244 43 V C 2.310 178.563 176.094 0.265 0.000 1.042 43 V CA 1.825 64.203 62.300 0.131 0.000 1.006 43 V CB -0.750 31.081 31.823 0.012 0.000 0.641 43 V HN 0.283 nan 8.190 nan 0.000 0.446 44 Y N 1.355 121.726 120.300 0.119 0.000 2.421 44 Y HA 0.049 4.600 4.550 0.001 0.000 0.292 44 Y C 2.509 178.464 175.900 0.091 0.000 1.136 44 Y CA 0.493 58.648 58.100 0.091 0.000 1.255 44 Y CB -1.530 36.967 38.460 0.061 0.000 0.991 44 Y HN 0.275 nan 8.280 nan 0.000 0.552 45 G N -1.603 107.329 108.800 0.220 0.000 2.559 45 G HA2 -0.198 3.763 3.960 0.001 0.000 0.216 45 G HA3 -0.198 3.763 3.960 0.001 0.000 0.216 45 G C 0.689 175.587 174.900 -0.003 0.000 1.126 45 G CA 0.504 45.656 45.100 0.087 0.000 0.778 45 G HN 0.465 nan 8.290 nan 0.000 0.543 46 H N -0.826 118.325 119.070 0.135 0.000 2.505 46 H HA 0.390 4.947 4.556 0.001 0.000 0.286 46 H C 0.567 175.976 175.328 0.136 0.000 1.072 46 H CA -0.575 55.550 56.048 0.129 0.000 1.141 46 H CB 0.285 30.130 29.762 0.139 0.000 1.550 46 H HN 0.130 nan 8.280 nan 0.000 0.547 47 L N 0.563 121.907 121.223 0.202 0.000 2.426 47 L HA -0.004 4.337 4.340 0.001 0.000 0.271 47 L C 1.500 178.439 176.870 0.115 0.000 1.169 47 L CA 0.116 55.048 54.840 0.153 0.000 0.836 47 L CB 0.829 42.955 42.059 0.111 0.000 1.112 47 L HN 0.262 nan 8.230 nan 0.000 0.465 48 D N 0.577 121.040 120.400 0.105 0.000 2.149 48 D HA -0.157 4.484 4.640 0.001 0.000 0.201 48 D C 0.368 176.705 176.300 0.061 0.000 0.972 48 D CA 1.143 55.196 54.000 0.087 0.000 0.835 48 D CB 0.325 41.178 40.800 0.088 0.000 0.966 48 D HN 0.451 nan 8.370 nan 0.000 0.476 49 D N -1.054 119.375 120.400 0.048 0.000 2.443 49 D HA 0.162 4.802 4.640 0.001 0.000 0.281 49 D C -1.907 174.404 176.300 0.019 0.000 1.210 49 D CA -1.841 52.177 54.000 0.030 0.000 0.875 49 D CB 1.330 42.144 40.800 0.022 0.000 1.125 49 D HN 0.020 nan 8.370 nan 0.000 0.503 50 P HA -0.136 nan 4.420 nan 0.000 0.218 50 P C 1.157 178.454 177.300 -0.004 0.000 1.148 50 P CA 0.715 63.823 63.100 0.014 0.000 0.822 50 P CB 0.388 32.108 31.700 0.033 0.000 0.784 51 A N -0.083 122.739 122.820 0.002 0.000 2.014 51 A HA -0.097 4.223 4.320 0.001 0.000 0.218 51 A C 2.058 179.635 177.584 -0.012 0.000 1.163 51 A CA 1.320 53.355 52.037 -0.003 0.000 0.652 51 A CB -0.699 18.303 19.000 0.004 0.000 0.808 51 A HN 0.168 nan 8.150 nan 0.000 0.449 52 N N -1.286 117.406 118.700 -0.012 0.000 2.257 52 N HA 0.044 4.784 4.740 0.001 0.000 0.200 52 N C 0.392 175.884 175.510 -0.029 0.000 1.163 52 N CA 0.016 53.055 53.050 -0.017 0.000 0.891 52 N CB 0.102 38.584 38.487 -0.008 0.000 1.067 52 N HN 0.512 nan 8.380 nan 0.000 0.497 53 Q N 2.424 122.203 119.800 -0.035 0.000 2.269 53 Q HA -0.021 4.319 4.340 0.001 0.000 0.300 53 Q C -0.662 175.290 176.000 -0.080 0.000 1.070 53 Q CA 0.715 56.487 55.803 -0.052 0.000 0.957 53 Q CB 0.243 28.945 28.738 -0.060 0.000 1.131 53 Q HN 0.119 nan 8.270 nan 0.000 0.377 54 E N 4.024 124.181 120.200 -0.072 0.000 2.290 54 E HA 0.264 4.615 4.350 0.001 0.000 0.277 54 E C -0.562 175.966 176.600 -0.119 0.000 1.035 54 E CA 0.001 56.351 56.400 -0.083 0.000 0.873 54 E CB 0.763 30.427 29.700 -0.060 0.000 1.029 54 E HN 0.562 nan 8.360 nan 0.000 0.419 55 I N 3.516 123.995 120.570 -0.153 0.000 2.448 55 I HA 0.210 4.381 4.170 0.001 0.000 0.281 55 I C -0.376 175.662 176.117 -0.131 0.000 1.027 55 I CA -0.246 60.923 61.300 -0.220 0.000 1.111 55 I CB 0.974 38.724 38.000 -0.418 0.000 1.236 55 I HN 0.370 nan 8.210 nan 0.000 0.452 56 E N 6.444 126.591 120.200 -0.089 0.000 2.260 56 E HA 0.370 4.720 4.350 0.001 0.000 0.266 56 E C -0.846 175.735 176.600 -0.031 0.000 0.887 56 E CA -0.893 55.476 56.400 -0.051 0.000 0.777 56 E CB 2.444 32.110 29.700 -0.056 0.000 1.205 56 E HN 0.467 nan 8.360 nan 0.000 0.414 57 R N 0.343 120.851 120.500 0.014 0.000 2.538 57 R HA 0.133 4.474 4.340 0.001 0.000 0.282 57 R C 1.102 177.394 176.300 -0.014 0.000 1.009 57 R CA 1.133 57.249 56.100 0.028 0.000 1.063 57 R CB 0.188 30.523 30.300 0.059 0.000 0.945 57 R HN 0.922 nan 8.270 nan 0.000 0.414 58 G N 1.940 110.717 108.800 -0.039 0.000 2.184 58 G HA2 -0.333 3.627 3.960 0.001 0.000 0.264 58 G HA3 -0.333 3.627 3.960 0.001 0.000 0.264 58 G C 0.696 175.525 174.900 -0.117 0.000 0.975 58 G CA 0.757 45.817 45.100 -0.068 0.000 0.642 58 G HN 0.635 nan 8.290 nan 0.000 0.536 59 K N -0.816 119.502 120.400 -0.137 0.000 2.567 59 K HA 0.131 4.452 4.320 0.001 0.000 0.199 59 K C 1.189 177.654 176.600 -0.225 0.000 1.412 59 K CA 0.942 57.132 56.287 -0.162 0.000 1.020 59 K CB 0.602 33.043 32.500 -0.099 0.000 1.487 59 K HN 0.513 nan 8.250 nan 0.000 0.531 60 T N -1.017 113.420 114.554 -0.196 0.000 2.934 60 T HA 0.387 4.738 4.350 0.001 0.000 0.283 60 T C -0.368 174.170 174.700 -0.269 0.000 1.005 60 T CA -0.538 61.453 62.100 -0.182 0.000 1.041 60 T CB 0.798 69.604 68.868 -0.104 0.000 1.042 60 T HN -0.081 nan 8.240 nan 0.000 0.505 61 Y N 1.031 121.275 120.300 -0.094 0.000 2.367 61 Y HA 0.443 4.993 4.550 0.001 0.000 0.342 61 Y C 0.338 176.171 175.900 -0.112 0.000 0.979 61 Y CA -1.051 56.977 58.100 -0.121 0.000 1.161 61 Y CB 0.650 39.022 38.460 -0.146 0.000 1.155 61 Y HN 0.478 nan 8.280 nan 0.000 0.503 62 L N 5.196 126.427 121.223 0.013 0.000 2.349 62 L HA 0.447 4.787 4.340 0.001 0.000 0.275 62 L C 0.153 177.011 176.870 -0.019 0.000 1.115 62 L CA -0.446 54.391 54.840 -0.005 0.000 0.820 62 L CB 0.516 42.583 42.059 0.014 0.000 1.135 62 L HN 0.473 nan 8.230 nan 0.000 0.445 63 R N 4.755 125.264 120.500 0.015 0.000 2.215 63 R HA 0.565 4.905 4.340 0.001 0.000 0.337 63 R C -0.984 175.373 176.300 0.094 0.000 1.010 63 R CA -0.507 55.615 56.100 0.037 0.000 0.871 63 R CB 0.912 31.238 30.300 0.042 0.000 1.134 63 R HN 0.512 nan 8.270 nan 0.000 0.477 64 L N 2.593 123.904 121.223 0.146 0.000 2.322 64 L HA 0.557 4.898 4.340 0.001 0.000 0.269 64 L C 0.401 177.442 176.870 0.285 0.000 1.012 64 L CA -1.174 53.812 54.840 0.243 0.000 0.815 64 L CB 1.405 43.662 42.059 0.331 0.000 1.295 64 L HN 0.283 nan 8.230 nan 0.000 0.438 65 R N 1.752 122.414 120.500 0.270 0.000 2.423 65 R HA 0.366 4.706 4.340 0.001 0.000 0.293 65 R C -2.539 173.894 176.300 0.222 0.000 1.196 65 R CA -2.018 54.222 56.100 0.232 0.000 1.262 65 R CB 0.611 31.030 30.300 0.199 0.000 1.116 65 R HN 0.242 nan 8.270 nan 0.000 0.566 66 P HA 0.053 nan 4.420 nan 0.000 0.269 66 P C 0.266 177.588 177.300 0.036 0.000 1.215 66 P CA -0.109 62.991 63.100 -0.000 0.000 0.780 66 P CB 0.974 32.592 31.700 -0.136 0.000 0.898 67 D N 0.896 121.302 120.400 0.010 0.000 2.213 67 D HA -0.000 4.640 4.640 0.001 0.000 0.205 67 D C 0.872 177.184 176.300 0.019 0.000 0.961 67 D CA 1.172 55.211 54.000 0.066 0.000 0.853 67 D CB 0.339 41.205 40.800 0.109 0.000 0.967 67 D HN 0.495 nan 8.370 nan 0.000 0.496 68 R N -1.259 119.215 120.500 -0.045 0.000 2.716 68 R HA 0.577 4.917 4.340 0.001 0.000 0.271 68 R C -1.872 174.357 176.300 -0.118 0.000 1.028 68 R CA -0.813 55.250 56.100 -0.062 0.000 0.883 68 R CB 1.232 31.506 30.300 -0.043 0.000 1.250 68 R HN -0.241 nan 8.270 nan 0.000 0.465 69 V N 0.552 120.391 119.914 -0.124 0.000 2.604 69 V HA 0.826 4.946 4.120 0.001 0.000 0.305 69 V C -0.628 175.393 176.094 -0.122 0.000 1.043 69 V CA -0.486 61.730 62.300 -0.141 0.000 0.888 69 V CB 1.600 33.339 31.823 -0.139 0.000 0.995 69 V HN 0.963 nan 8.190 nan 0.000 0.429 70 A N 6.021 128.780 122.820 -0.103 0.000 2.371 70 A HA 0.972 5.293 4.320 0.001 0.000 0.311 70 A C -0.823 176.751 177.584 -0.016 0.000 1.068 70 A CA -0.604 51.402 52.037 -0.051 0.000 0.744 70 A CB 1.536 20.481 19.000 -0.092 0.000 1.239 70 A HN 0.789 nan 8.150 nan 0.000 0.435 71 M N 1.626 121.257 119.600 0.053 0.000 2.530 71 M HA 0.414 4.895 4.480 0.001 0.000 0.307 71 M C -0.676 175.673 176.300 0.082 0.000 1.161 71 M CA -0.767 54.555 55.300 0.037 0.000 0.903 71 M CB 2.525 35.139 32.600 0.023 0.000 1.711 71 M HN 0.884 nan 8.290 nan 0.000 0.451 72 Q N -0.036 119.777 119.800 0.021 0.000 2.241 72 Q HA 0.352 4.692 4.340 0.001 0.000 0.262 72 Q C 0.046 176.061 176.000 0.024 0.000 1.014 72 Q CA -0.781 55.040 55.803 0.030 0.000 0.885 72 Q CB 0.664 29.381 28.738 -0.035 0.000 1.311 72 Q HN 0.660 nan 8.270 nan 0.000 0.461 73 D N 0.597 121.048 120.400 0.085 0.000 2.264 73 D HA -0.129 4.511 4.640 0.001 0.000 0.208 73 D C 1.109 177.463 176.300 0.090 0.000 0.966 73 D CA 1.251 55.335 54.000 0.141 0.000 0.864 73 D CB -0.386 40.563 40.800 0.249 0.000 0.933 73 D HN 0.572 nan 8.370 nan 0.000 0.499 74 A N 0.279 123.077 122.820 -0.037 0.000 2.119 74 A HA 0.018 4.338 4.320 0.001 0.000 0.216 74 A C 2.136 179.706 177.584 -0.024 0.000 1.152 74 A CA 1.706 53.709 52.037 -0.057 0.000 0.708 74 A CB -0.509 18.394 19.000 -0.161 0.000 0.805 74 A HN 0.433 nan 8.150 nan 0.000 0.460 75 T N -4.753 109.792 114.554 -0.016 0.000 2.971 75 T HA 0.447 4.798 4.350 0.001 0.000 0.252 75 T C 1.784 176.549 174.700 0.107 0.000 1.022 75 T CA 0.809 62.958 62.100 0.083 0.000 0.980 75 T CB 0.011 68.903 68.868 0.041 0.000 1.044 75 T HN 0.372 nan 8.240 nan 0.000 0.501 76 A N 1.871 124.748 122.820 0.094 0.000 2.015 76 A HA -0.048 4.272 4.320 0.001 0.000 0.219 76 A C 2.370 180.064 177.584 0.184 0.000 1.163 76 A CA 1.243 53.350 52.037 0.116 0.000 0.646 76 A CB -0.667 18.408 19.000 0.125 0.000 0.806 76 A HN 0.602 nan 8.150 nan 0.000 0.448 77 Q N -1.704 118.228 119.800 0.221 0.000 2.020 77 Q HA -0.187 4.153 4.340 0.001 0.000 0.202 77 Q C 2.105 178.236 176.000 0.217 0.000 0.982 77 Q CA 1.780 57.752 55.803 0.282 0.000 0.838 77 Q CB -0.275 28.573 28.738 0.183 0.000 0.899 77 Q HN 0.619 nan 8.270 nan 0.000 0.423 78 M N 0.304 120.009 119.600 0.175 0.000 2.254 78 M HA 0.013 4.493 4.480 0.001 0.000 0.265 78 M C 1.833 178.174 176.300 0.068 0.000 1.066 78 M CA 1.297 56.657 55.300 0.100 0.000 1.123 78 M CB -0.241 32.398 32.600 0.066 0.000 1.388 78 M HN 0.179 nan 8.290 nan 0.000 0.425 79 A N -0.109 122.760 122.820 0.082 0.000 1.873 79 A HA -0.125 4.195 4.320 0.001 0.000 0.215 79 A C 2.041 179.673 177.584 0.080 0.000 1.186 79 A CA 1.753 53.822 52.037 0.053 0.000 0.616 79 A CB -0.540 18.479 19.000 0.031 0.000 0.823 79 A HN 0.489 nan 8.150 nan 0.000 0.442 80 M N -0.434 119.236 119.600 0.117 0.000 2.175 80 M HA 0.019 4.500 4.480 0.001 0.000 0.264 80 M C 2.089 178.505 176.300 0.192 0.000 1.063 80 M CA 1.072 56.451 55.300 0.132 0.000 1.119 80 M CB -1.415 31.272 32.600 0.144 0.000 1.377 80 M HN 0.372 nan 8.290 nan 0.000 0.415 81 L N -0.383 120.967 121.223 0.211 0.000 2.083 81 L HA -0.239 4.101 4.340 0.001 0.000 0.209 81 L C 2.514 179.409 176.870 0.043 0.000 1.083 81 L CA 1.227 56.149 54.840 0.136 0.000 0.752 81 L CB -0.579 41.512 42.059 0.052 0.000 0.899 81 L HN 0.384 nan 8.230 nan 0.000 0.433 82 Q N -1.169 118.645 119.800 0.024 0.000 2.172 82 Q HA -0.191 4.150 4.340 0.001 0.000 0.200 82 Q C 2.122 178.106 176.000 -0.027 0.000 0.964 82 Q CA 1.345 57.133 55.803 -0.024 0.000 0.855 82 Q CB -0.123 28.599 28.738 -0.028 0.000 0.918 82 Q HN 0.390 nan 8.270 nan 0.000 0.444 83 F N 1.178 121.052 119.950 -0.127 0.000 2.146 83 F HA -0.170 4.357 4.527 0.001 0.000 0.298 83 F C 1.838 177.495 175.800 -0.239 0.000 1.096 83 F CA 1.083 58.959 58.000 -0.206 0.000 1.275 83 F CB -0.029 38.789 39.000 -0.303 0.000 1.008 83 F HN -0.041 nan 8.300 nan 0.000 0.480 84 I N -0.524 119.982 120.570 -0.106 0.000 2.163 84 I HA -0.360 3.810 4.170 0.001 0.000 0.243 84 I C 2.363 178.405 176.117 -0.125 0.000 1.085 84 I CA 1.644 62.896 61.300 -0.081 0.000 1.347 84 I CB -0.703 37.356 38.000 0.098 0.000 1.044 84 I HN 0.039 nan 8.210 nan 0.000 0.408 85 S N 0.542 116.174 115.700 -0.113 0.000 2.419 85 S HA -0.200 4.270 4.470 0.001 0.000 0.235 85 S C 2.122 176.619 174.600 -0.173 0.000 1.019 85 S CA 1.565 59.691 58.200 -0.123 0.000 0.982 85 S CB -0.510 62.619 63.200 -0.119 0.000 0.789 85 S HN 0.662 nan 8.310 nan 0.000 0.490 86 S N 1.166 116.701 115.700 -0.274 0.000 2.399 86 S HA 0.096 4.566 4.470 0.001 0.000 0.231 86 S C 1.841 176.278 174.600 -0.272 0.000 1.022 86 S CA 1.277 59.295 58.200 -0.302 0.000 0.983 86 S CB -0.818 62.100 63.200 -0.470 0.000 0.803 86 S HN 0.983 nan 8.310 nan 0.000 0.480 87 G N 0.578 109.202 108.800 -0.295 0.000 2.176 87 G HA2 -0.217 3.744 3.960 0.001 0.000 0.253 87 G HA3 -0.217 3.744 3.960 0.001 0.000 0.253 87 G C -0.019 174.774 174.900 -0.178 0.000 0.979 87 G CA 0.242 45.239 45.100 -0.172 0.000 0.641 87 G HN 0.573 nan 8.290 nan 0.000 0.530 88 L N 1.452 122.459 121.223 -0.360 0.000 2.426 88 L HA 0.267 4.607 4.340 0.001 0.000 0.271 88 L C 0.085 176.971 176.870 0.027 0.000 1.169 88 L CA -1.201 53.507 54.840 -0.219 0.000 0.836 88 L CB 0.893 42.764 42.059 -0.314 0.000 1.112 88 L HN 0.018 nan 8.230 nan 0.000 0.465 89 P HA -0.039 nan 4.420 nan 0.000 0.227 89 P C -0.177 177.369 177.300 0.410 0.000 1.161 89 P CA 0.848 64.106 63.100 0.262 0.000 0.788 89 P CB 0.501 32.276 31.700 0.124 0.000 0.822 90 K N 0.371 121.026 120.400 0.425 0.000 2.562 90 K HA 0.338 4.659 4.320 0.001 0.000 0.267 90 K C -1.150 175.623 176.600 0.287 0.000 0.938 90 K CA -0.962 55.520 56.287 0.324 0.000 0.840 90 K CB 1.619 34.218 32.500 0.164 0.000 1.390 90 K HN -0.192 nan 8.250 nan 0.000 0.428 91 V N 1.533 121.489 119.914 0.070 0.000 2.715 91 V HA 0.585 4.706 4.120 0.001 0.000 0.299 91 V C 0.878 176.992 176.094 0.033 0.000 1.054 91 V CA 0.589 62.853 62.300 -0.059 0.000 1.077 91 V CB 0.881 32.571 31.823 -0.222 0.000 0.972 91 V HN 0.861 nan 8.190 nan 0.000 0.484 92 A N 3.717 126.566 122.820 0.049 0.000 2.132 92 A HA 0.507 4.828 4.320 0.001 0.000 0.213 92 A C 0.904 178.514 177.584 0.044 0.000 1.154 92 A CA 0.939 53.013 52.037 0.061 0.000 0.753 92 A CB -0.312 18.734 19.000 0.076 0.000 0.826 92 A HN 1.767 nan 8.150 nan 0.000 0.469 93 V N -4.918 115.007 119.914 0.018 0.000 3.040 93 V HA 0.611 4.731 4.120 0.001 0.000 0.312 93 V C -3.270 172.827 176.094 0.004 0.000 1.115 93 V CA -3.146 59.166 62.300 0.018 0.000 0.998 93 V CB 1.230 33.057 31.823 0.008 0.000 1.042 93 V HN -0.005 nan 8.190 nan 0.000 0.433 94 P HA 0.205 nan 4.420 nan 0.000 0.258 94 P C -0.464 176.813 177.300 -0.040 0.000 1.172 94 P CA 0.859 63.970 63.100 0.017 0.000 0.762 94 P CB 0.188 31.913 31.700 0.041 0.000 0.764 95 S N 1.443 117.113 115.700 -0.051 0.000 2.536 95 S HA 0.745 5.215 4.470 0.001 0.000 0.287 95 S C -0.350 174.212 174.600 -0.063 0.000 1.101 95 S CA -0.658 57.491 58.200 -0.085 0.000 0.950 95 S CB 1.902 65.034 63.200 -0.113 0.000 1.056 95 S HN 0.532 nan 8.310 nan 0.000 0.481 96 T N -0.636 113.882 114.554 -0.061 0.000 2.906 96 T HA 0.800 5.150 4.350 0.001 0.000 0.295 96 T C -0.768 173.921 174.700 -0.018 0.000 1.075 96 T CA -0.705 61.384 62.100 -0.018 0.000 1.005 96 T CB 0.807 69.668 68.868 -0.012 0.000 1.136 96 T HN 0.455 nan 8.240 nan 0.000 0.498 97 I N 1.634 122.162 120.570 -0.071 0.000 2.474 97 I HA 0.407 4.577 4.170 0.001 0.000 0.294 97 I C -0.322 175.592 176.117 -0.339 0.000 1.005 97 I CA -0.967 60.296 61.300 -0.061 0.000 1.113 97 I CB 1.657 39.705 38.000 0.080 0.000 1.289 97 I HN 0.615 nan 8.210 nan 0.000 0.436 98 H N 4.573 123.606 119.070 -0.062 0.000 2.589 98 H HA 0.296 4.853 4.556 0.001 0.000 0.335 98 H C -1.167 174.100 175.328 -0.101 0.000 1.019 98 H CA -0.546 55.438 56.048 -0.106 0.000 1.213 98 H CB 1.967 31.637 29.762 -0.153 0.000 1.472 98 H HN 0.528 nan 8.280 nan 0.000 0.508 99 C N 3.931 123.164 119.300 -0.112 0.000 2.135 99 C HA 0.104 4.564 4.460 0.001 0.000 0.345 99 C C 1.085 176.079 174.990 0.006 0.000 1.067 99 C CA -0.583 58.403 59.018 -0.054 0.000 1.517 99 C CB -1.178 26.394 27.740 -0.279 0.000 1.923 99 C HN 0.832 nan 8.230 nan 0.000 0.466 100 D N -0.653 119.808 120.400 0.102 0.000 2.486 100 D HA 0.004 4.645 4.640 0.001 0.000 0.243 100 D C 0.850 177.178 176.300 0.047 0.000 1.146 100 D CA 0.199 54.229 54.000 0.050 0.000 0.821 100 D CB -0.384 40.415 40.800 -0.000 0.000 1.201 100 D HN 0.498 nan 8.370 nan 0.000 0.525 101 H N 0.052 119.146 119.070 0.040 0.000 2.553 101 H HA 0.425 4.982 4.556 0.001 0.000 0.265 101 H C 1.159 176.517 175.328 0.050 0.000 0.964 101 H CA 0.515 56.582 56.048 0.032 0.000 1.156 101 H CB 0.647 30.430 29.762 0.035 0.000 1.411 101 H HN 0.048 nan 8.280 nan 0.000 0.558 102 L N 0.476 121.812 121.223 0.188 0.000 2.910 102 L HA 0.296 4.636 4.340 0.001 0.000 0.252 102 L C -0.456 176.486 176.870 0.119 0.000 1.195 102 L CA 0.022 54.944 54.840 0.136 0.000 1.003 102 L CB 0.546 42.685 42.059 0.132 0.000 1.328 102 L HN 0.097 nan 8.230 nan 0.000 0.540 103 I N 0.625 121.257 120.570 0.102 0.000 2.306 103 I HA 0.115 4.286 4.170 0.001 0.000 0.288 103 I C 0.588 176.731 176.117 0.042 0.000 1.036 103 I CA -0.074 61.274 61.300 0.080 0.000 1.221 103 I CB 1.182 39.222 38.000 0.067 0.000 1.385 103 I HN 0.113 nan 8.210 nan 0.000 0.472 104 E N 5.634 125.864 120.200 0.050 0.000 2.316 104 E HA 0.422 4.772 4.350 0.001 0.000 0.275 104 E C -0.425 176.216 176.600 0.068 0.000 1.029 104 E CA -0.595 55.841 56.400 0.060 0.000 0.871 104 E CB 1.094 30.827 29.700 0.055 0.000 1.022 104 E HN 0.698 nan 8.360 nan 0.000 0.418 105 A N 4.278 127.153 122.820 0.092 0.000 2.366 105 A HA 0.158 4.478 4.320 0.001 0.000 0.272 105 A C 0.317 178.011 177.584 0.183 0.000 1.135 105 A CA -0.072 52.020 52.037 0.091 0.000 0.804 105 A CB 1.171 20.175 19.000 0.007 0.000 1.064 105 A HN 0.916 nan 8.150 nan 0.000 0.499 106 Q N 1.346 121.223 119.800 0.127 0.000 2.102 106 Q HA 0.093 4.434 4.340 0.001 0.000 0.157 106 Q C 0.016 176.072 176.000 0.092 0.000 0.620 106 Q CA -0.145 55.734 55.803 0.128 0.000 0.880 106 Q CB -0.027 28.765 28.738 0.089 0.000 1.113 106 Q HN 0.567 nan 8.270 nan 0.000 0.320 107 L N 0.925 122.185 121.223 0.062 0.000 2.513 107 L HA 0.425 4.766 4.340 0.001 0.000 0.222 107 L C 0.770 177.661 176.870 0.035 0.000 1.096 107 L CA 1.769 56.636 54.840 0.046 0.000 0.857 107 L CB 0.517 42.599 42.059 0.037 0.000 1.026 107 L HN 0.510 nan 8.230 nan 0.000 0.469 108 G N -2.132 106.685 108.800 0.029 0.000 2.662 108 G HA2 0.222 4.183 3.960 0.001 0.000 0.686 108 G HA3 0.222 4.183 3.960 0.001 0.000 0.686 108 G C 0.659 175.565 174.900 0.009 0.000 1.271 108 G CA -0.380 44.726 45.100 0.010 0.000 0.816 108 G HN 0.592 nan 8.290 nan 0.000 0.608 109 G N 0.774 109.573 108.800 -0.002 0.000 2.896 109 G HA2 -0.261 3.699 3.960 0.001 0.000 0.412 109 G HA3 -0.261 3.699 3.960 0.001 0.000 0.412 109 G C 1.526 176.432 174.900 0.010 0.000 0.986 109 G CA 2.714 47.814 45.100 0.001 0.000 0.812 109 G HN 2.324 nan 8.290 nan 0.000 0.907 110 E N 0.226 120.434 120.200 0.014 0.000 2.077 110 E HA -0.082 4.269 4.350 0.001 0.000 0.193 110 E C 2.333 178.947 176.600 0.023 0.000 0.989 110 E CA 1.682 58.093 56.400 0.018 0.000 0.800 110 E CB -0.291 29.420 29.700 0.017 0.000 0.746 110 E HN 0.651 nan 8.360 nan 0.000 0.452 111 K N 0.548 120.962 120.400 0.023 0.000 2.026 111 K HA -0.138 4.182 4.320 0.001 0.000 0.208 111 K C 1.855 178.473 176.600 0.031 0.000 1.048 111 K CA 1.582 57.885 56.287 0.026 0.000 0.929 111 K CB -0.139 32.376 32.500 0.025 0.000 0.713 111 K HN 0.134 nan 8.250 nan 0.000 0.439 112 D N 0.866 121.284 120.400 0.031 0.000 2.178 112 D HA -0.129 4.511 4.640 0.001 0.000 0.202 112 D C 1.808 178.135 176.300 0.046 0.000 0.974 112 D CA 0.703 54.726 54.000 0.037 0.000 0.841 112 D CB -0.097 40.723 40.800 0.032 0.000 0.953 112 D HN 0.006 nan 8.370 nan 0.000 0.478 113 L N 1.072 122.319 121.223 0.040 0.000 2.056 113 L HA -0.075 4.266 4.340 0.001 0.000 0.207 113 L C 2.172 179.080 176.870 0.064 0.000 1.078 113 L CA 1.526 56.395 54.840 0.049 0.000 0.749 113 L CB -0.209 41.868 42.059 0.030 0.000 0.901 113 L HN -0.148 nan 8.230 nan 0.000 0.433 114 R N -0.749 119.781 120.500 0.051 0.000 2.083 114 R HA -0.196 4.145 4.340 0.001 0.000 0.237 114 R C 2.442 178.779 176.300 0.062 0.000 1.137 114 R CA 1.759 57.891 56.100 0.053 0.000 0.951 114 R CB -0.524 29.799 30.300 0.039 0.000 0.851 114 R HN 0.372 nan 8.270 nan 0.000 0.434 115 R N 0.742 121.274 120.500 0.054 0.000 2.081 115 R HA -0.126 4.214 4.340 0.001 0.000 0.235 115 R C 2.180 178.519 176.300 0.064 0.000 1.131 115 R CA 1.605 57.735 56.100 0.049 0.000 0.960 115 R CB -0.248 30.076 30.300 0.038 0.000 0.856 115 R HN 0.233 nan 8.270 nan 0.000 0.436 116 A N 1.145 124.020 122.820 0.092 0.000 1.933 116 A HA -0.152 4.168 4.320 0.001 0.000 0.218 116 A C 1.951 179.665 177.584 0.216 0.000 1.175 116 A CA 1.504 53.620 52.037 0.132 0.000 0.628 116 A CB -0.301 18.810 19.000 0.185 0.000 0.814 116 A HN 0.351 nan 8.150 nan 0.000 0.444 117 K N -0.663 119.884 120.400 0.245 0.000 2.147 117 K HA -0.170 4.151 4.320 0.001 0.000 0.205 117 K C 1.698 178.403 176.600 0.175 0.000 1.049 117 K CA 1.439 57.907 56.287 0.302 0.000 0.936 117 K CB -0.138 32.474 32.500 0.186 0.000 0.722 117 K HN 0.581 nan 8.250 nan 0.000 0.446 118 D N 1.026 121.486 120.400 0.098 0.000 2.106 118 D HA -0.064 4.576 4.640 0.001 0.000 0.203 118 D C 1.768 178.078 176.300 0.017 0.000 0.977 118 D CA 0.935 54.967 54.000 0.053 0.000 0.844 118 D CB -0.011 40.812 40.800 0.039 0.000 1.002 118 D HN 0.015 nan 8.370 nan 0.000 0.461 119 I N 0.424 120.994 120.570 0.000 0.000 2.194 119 I HA -0.244 3.926 4.170 0.001 0.000 0.246 119 I C 1.179 177.235 176.117 -0.102 0.000 1.093 119 I CA 1.070 62.345 61.300 -0.042 0.000 1.355 119 I CB -0.268 37.709 38.000 -0.038 0.000 1.046 119 I HN 0.115 nan 8.210 nan 0.000 0.413 120 N N 0.278 118.872 118.700 -0.176 0.000 2.251 120 N HA -0.015 4.726 4.740 0.001 0.000 0.217 120 N C 1.393 176.655 175.510 -0.413 0.000 1.124 120 N CA 0.023 52.825 53.050 -0.413 0.000 0.843 120 N CB 0.364 38.347 38.487 -0.840 0.000 1.024 120 N HN 0.444 nan 8.380 nan 0.000 0.501 121 Q N 1.301 121.028 119.800 -0.123 0.000 2.112 121 Q HA -0.212 4.128 4.340 0.001 0.000 0.206 121 Q C 1.578 177.592 176.000 0.023 0.000 0.987 121 Q CA 1.516 57.330 55.803 0.017 0.000 0.858 121 Q CB 0.135 28.899 28.738 0.043 0.000 0.905 121 Q HN 0.457 nan 8.270 nan 0.000 0.420 122 E N -0.789 119.403 120.200 -0.014 0.000 2.085 122 E HA -0.173 4.177 4.350 0.001 0.000 0.194 122 E C 1.963 178.604 176.600 0.068 0.000 0.994 122 E CA 1.402 57.816 56.400 0.024 0.000 0.801 122 E CB 0.157 29.858 29.700 0.000 0.000 0.743 122 E HN 0.220 nan 8.360 nan 0.000 0.453 123 V N 0.310 120.220 119.914 -0.007 0.000 2.323 123 V HA -0.217 3.904 4.120 0.001 0.000 0.244 123 V C 2.041 178.281 176.094 0.244 0.000 1.041 123 V CA 1.558 63.901 62.300 0.072 0.000 1.025 123 V CB -0.636 31.137 31.823 -0.085 0.000 0.656 123 V HN 0.334 nan 8.190 nan 0.000 0.451 124 Y N 0.715 121.119 120.300 0.174 0.000 2.274 124 Y HA -0.181 4.369 4.550 0.001 0.000 0.290 124 Y C 2.376 178.324 175.900 0.082 0.000 1.145 124 Y CA 1.318 59.540 58.100 0.203 0.000 1.203 124 Y CB -1.241 37.337 38.460 0.196 0.000 0.984 124 Y HN 0.339 nan 8.280 nan 0.000 0.533 125 N N -0.615 118.211 118.700 0.211 0.000 2.142 125 N HA -0.184 4.556 4.740 0.001 0.000 0.186 125 N C 1.696 177.231 175.510 0.042 0.000 1.023 125 N CA 1.063 54.156 53.050 0.071 0.000 0.852 125 N CB -0.468 38.065 38.487 0.077 0.000 0.998 125 N HN 0.210 nan 8.380 nan 0.000 0.424 126 F N 1.062 121.022 119.950 0.016 0.000 2.102 126 F HA -0.081 4.447 4.527 0.001 0.000 0.298 126 F C 1.674 177.482 175.800 0.014 0.000 1.105 126 F CA 1.304 59.316 58.000 0.019 0.000 1.239 126 F CB -0.321 38.708 39.000 0.047 0.000 0.991 126 F HN 0.009 nan 8.300 nan 0.000 0.474 127 L N -0.125 121.101 121.223 0.005 0.000 2.056 127 L HA -0.133 4.207 4.340 0.001 0.000 0.207 127 L C 2.806 179.476 176.870 -0.333 0.000 1.078 127 L CA 1.062 55.865 54.840 -0.061 0.000 0.749 127 L CB -1.153 41.123 42.059 0.361 0.000 0.901 127 L HN 0.251 nan 8.230 nan 0.000 0.433 128 A N -0.482 121.907 122.820 -0.718 0.000 1.933 128 A HA -0.185 4.135 4.320 0.001 0.000 0.218 128 A C 2.353 179.601 177.584 -0.559 0.000 1.175 128 A CA 2.313 53.675 52.037 -1.125 0.000 0.628 128 A CB -0.788 17.540 19.000 -1.119 0.000 0.814 128 A HN 0.387 nan 8.150 nan 0.000 0.444 129 T N -0.047 114.268 114.554 -0.398 0.000 2.851 129 T HA 0.114 4.464 4.350 0.001 0.000 0.262 129 T C 2.237 176.760 174.700 -0.296 0.000 1.043 129 T CA 1.258 63.178 62.100 -0.299 0.000 1.140 129 T CB -0.352 68.386 68.868 -0.216 0.000 0.872 129 T HN 0.558 nan 8.240 nan 0.000 0.446 130 A N 1.395 123.999 122.820 -0.361 0.000 1.969 130 A HA 0.176 4.497 4.320 0.001 0.000 0.218 130 A C 2.544 180.086 177.584 -0.070 0.000 1.169 130 A CA 1.715 53.629 52.037 -0.205 0.000 0.635 130 A CB -1.276 17.478 19.000 -0.409 0.000 0.810 130 A HN 0.494 nan 8.150 nan 0.000 0.445 131 G N -0.261 108.440 108.800 -0.166 0.000 2.433 131 G HA2 -0.016 3.944 3.960 0.001 0.000 0.216 131 G HA3 -0.016 3.944 3.960 0.001 0.000 0.216 131 G C 1.795 176.601 174.900 -0.156 0.000 1.186 131 G CA 1.483 46.511 45.100 -0.120 0.000 0.779 131 G HN 0.788 nan 8.290 nan 0.000 0.543 132 A N 0.648 123.333 122.820 -0.224 0.000 1.908 132 A HA -0.088 4.233 4.320 0.001 0.000 0.218 132 A C 2.228 179.683 177.584 -0.214 0.000 1.181 132 A CA 2.292 54.199 52.037 -0.217 0.000 0.627 132 A CB -0.433 18.432 19.000 -0.224 0.000 0.818 132 A HN 0.441 nan 8.150 nan 0.000 0.445 133 K N -1.953 118.279 120.400 -0.280 0.000 2.062 133 K HA -0.120 4.200 4.320 0.001 0.000 0.205 133 K C 1.261 177.598 176.600 -0.440 0.000 1.051 133 K CA 1.494 57.528 56.287 -0.422 0.000 0.941 133 K CB -0.217 31.892 32.500 -0.651 0.000 0.719 133 K HN 0.520 nan 8.250 nan 0.000 0.440 134 Y N -0.373 119.879 120.300 -0.080 0.000 2.457 134 Y HA 0.267 4.818 4.550 0.001 0.000 0.263 134 Y C 0.903 176.740 175.900 -0.105 0.000 1.164 134 Y CA 0.278 58.342 58.100 -0.060 0.000 1.274 134 Y CB 1.008 39.411 38.460 -0.094 0.000 1.097 134 Y HN 0.325 nan 8.280 nan 0.000 0.523 135 G N 0.676 109.465 108.800 -0.018 0.000 2.248 135 G HA2 -0.191 3.769 3.960 0.001 0.000 0.252 135 G HA3 -0.191 3.769 3.960 0.001 0.000 0.252 135 G C -0.677 174.177 174.900 -0.076 0.000 1.085 135 G CA -0.004 45.058 45.100 -0.064 0.000 0.845 135 G HN 0.098 nan 8.290 nan 0.000 0.494 136 V N 0.389 120.253 119.914 -0.083 0.000 2.398 136 V HA 0.774 4.894 4.120 0.001 0.000 0.286 136 V C 1.290 177.342 176.094 -0.071 0.000 1.026 136 V CA -0.164 62.093 62.300 -0.070 0.000 0.868 136 V CB 1.611 33.392 31.823 -0.069 0.000 0.982 136 V HN 0.847 nan 8.190 nan 0.000 0.443 137 G N 2.914 111.701 108.800 -0.021 0.000 2.544 137 G HA2 0.350 4.310 3.960 0.001 0.000 0.242 137 G HA3 0.350 4.310 3.960 0.001 0.000 0.242 137 G C -1.088 173.806 174.900 -0.011 0.000 1.247 137 G CA 0.111 45.207 45.100 -0.007 0.000 0.840 137 G HN 0.568 nan 8.290 nan 0.000 0.578 138 F N 1.313 121.011 119.950 -0.420 0.000 2.536 138 F HA 0.580 5.108 4.527 0.001 0.000 0.322 138 F C -1.452 174.114 175.800 -0.391 0.000 1.144 138 F CA -1.739 56.076 58.000 -0.308 0.000 0.924 138 F CB 1.437 40.262 39.000 -0.291 0.000 1.181 138 F HN 0.448 nan 8.300 nan 0.000 0.438 139 W N 7.164 128.023 121.300 -0.734 0.000 2.314 139 W HA 0.565 5.226 4.660 0.001 0.000 0.310 139 W C 0.174 176.202 176.519 -0.819 0.000 1.075 139 W CA -0.587 56.439 57.345 -0.531 0.000 1.253 139 W CB 0.976 30.197 29.460 -0.399 0.000 1.238 139 W HN 0.370 nan 8.180 nan 0.000 0.440 140 R N 4.232 124.477 120.500 -0.424 0.000 2.784 140 R HA 0.112 4.452 4.340 0.001 0.000 0.266 140 R C -1.935 174.197 176.300 -0.280 0.000 1.044 140 R CA -1.385 54.497 56.100 -0.364 0.000 1.151 140 R CB -0.311 29.937 30.300 -0.087 0.000 1.037 140 R HN 0.124 nan 8.270 nan 0.000 0.478 141 P HA -0.097 nan 4.420 nan 0.000 0.265 141 P C 0.534 177.763 177.300 -0.119 0.000 1.193 141 P CA 0.837 63.769 63.100 -0.279 0.000 0.765 141 P CB 0.633 32.054 31.700 -0.464 0.000 0.823 142 G N 2.301 111.064 108.800 -0.062 0.000 2.258 142 G HA2 -0.331 3.629 3.960 0.001 0.000 0.233 142 G HA3 -0.331 3.629 3.960 0.001 0.000 0.233 142 G C 1.325 176.229 174.900 0.007 0.000 1.006 142 G CA 0.552 45.640 45.100 -0.019 0.000 0.620 142 G HN 0.592 nan 8.290 nan 0.000 0.511 143 S N 0.136 115.854 115.700 0.030 0.000 2.382 143 S HA 0.423 4.894 4.470 0.001 0.000 0.228 143 S C 1.673 176.293 174.600 0.033 0.000 1.027 143 S CA 1.781 60.045 58.200 0.107 0.000 0.991 143 S CB 0.010 63.375 63.200 0.275 0.000 0.823 143 S HN 2.572 nan 8.310 nan 0.000 0.469 144 G N 0.019 108.807 108.800 -0.019 0.000 2.359 144 G HA2 0.262 4.222 3.960 0.001 0.000 0.314 144 G HA3 0.262 4.222 3.960 0.001 0.000 0.314 144 G C -1.110 173.728 174.900 -0.103 0.000 1.364 144 G CA -0.786 44.273 45.100 -0.068 0.000 0.978 144 G HN 0.348 nan 8.290 nan 0.000 0.615 145 I N 1.363 121.851 120.570 -0.136 0.000 2.648 145 I HA 0.126 4.296 4.170 0.001 0.000 0.284 145 I C 2.200 178.148 176.117 -0.281 0.000 1.153 145 I CA -0.167 61.023 61.300 -0.184 0.000 1.426 145 I CB 1.077 38.972 38.000 -0.174 0.000 1.381 145 I HN 0.638 nan 8.210 nan 0.000 0.571 146 I N 5.411 125.743 120.570 -0.396 0.000 2.185 146 I HA -0.368 3.802 4.170 0.001 0.000 0.246 146 I C 2.206 177.930 176.117 -0.655 0.000 1.088 146 I CA 1.910 62.797 61.300 -0.687 0.000 1.347 146 I CB -0.131 37.461 38.000 -0.680 0.000 1.041 146 I HN 0.679 nan 8.210 nan 0.000 0.415 147 H N -0.275 118.658 119.070 -0.227 0.000 2.470 147 H HA -0.102 4.454 4.556 0.001 0.000 0.289 147 H C 2.076 177.306 175.328 -0.164 0.000 1.033 147 H CA 1.243 57.185 56.048 -0.177 0.000 1.331 147 H CB -0.223 29.476 29.762 -0.105 0.000 1.414 147 H HN 0.437 nan 8.280 nan 0.000 0.545 148 Q N 0.395 120.136 119.800 -0.098 0.000 2.123 148 Q HA -0.037 4.303 4.340 0.001 0.000 0.199 148 Q C 2.166 178.073 176.000 -0.155 0.000 0.966 148 Q CA 0.630 56.376 55.803 -0.094 0.000 0.845 148 Q CB -0.027 28.657 28.738 -0.090 0.000 0.907 148 Q HN 0.243 nan 8.270 nan 0.000 0.439 149 I N 0.167 120.576 120.570 -0.269 0.000 2.315 149 I HA -0.228 3.942 4.170 0.001 0.000 0.248 149 I C 2.086 178.052 176.117 -0.251 0.000 1.117 149 I CA 1.209 62.274 61.300 -0.393 0.000 1.404 149 I CB -0.911 36.709 38.000 -0.635 0.000 1.071 149 I HN 0.290 nan 8.210 nan 0.000 0.419 150 I N 0.133 120.603 120.570 -0.166 0.000 2.226 150 I HA -0.303 3.867 4.170 0.001 0.000 0.245 150 I C 2.535 178.678 176.117 0.043 0.000 1.100 150 I CA 1.093 62.416 61.300 0.038 0.000 1.374 150 I CB -0.232 37.755 38.000 -0.021 0.000 1.057 150 I HN 0.153 nan 8.210 nan 0.000 0.413 151 L N 0.673 121.900 121.223 0.006 0.000 2.093 151 L HA -0.192 4.148 4.340 0.001 0.000 0.208 151 L C 2.308 179.266 176.870 0.147 0.000 1.085 151 L CA 1.846 56.717 54.840 0.052 0.000 0.755 151 L CB -0.410 41.641 42.059 -0.013 0.000 0.904 151 L HN 0.176 nan 8.230 nan 0.000 0.435 152 E N -1.063 119.160 120.200 0.039 0.000 2.274 152 E HA -0.091 4.260 4.350 0.001 0.000 0.194 152 E C 1.122 177.630 176.600 -0.154 0.000 0.996 152 E CA 0.919 57.288 56.400 -0.053 0.000 0.840 152 E CB 0.102 29.691 29.700 -0.186 0.000 0.772 152 E HN 0.604 nan 8.360 nan 0.000 0.491 153 N N -1.552 117.026 118.700 -0.204 0.000 2.272 153 N HA 0.040 4.781 4.740 0.001 0.000 0.228 153 N C 0.578 175.818 175.510 -0.450 0.000 1.206 153 N CA 0.333 53.130 53.050 -0.421 0.000 0.855 153 N CB 0.590 38.659 38.487 -0.695 0.000 1.248 153 N HN 0.105 nan 8.380 nan 0.000 0.476 154 Y N 0.978 121.315 120.300 0.061 0.000 2.452 154 Y HA 0.482 5.033 4.550 0.001 0.000 0.262 154 Y C 0.830 176.797 175.900 0.112 0.000 1.089 154 Y CA -0.615 57.547 58.100 0.103 0.000 1.262 154 Y CB 0.348 38.850 38.460 0.070 0.000 1.236 154 Y HN -0.119 nan 8.280 nan 0.000 0.512 155 A N 1.082 124.019 122.820 0.196 0.000 2.366 155 A HA 0.569 4.890 4.320 0.001 0.000 0.272 155 A C -0.930 176.750 177.584 0.161 0.000 1.135 155 A CA -0.176 51.904 52.037 0.071 0.000 0.804 155 A CB -0.647 18.376 19.000 0.039 0.000 1.064 155 A HN 0.372 nan 8.150 nan 0.000 0.499 156 Y N -0.055 120.292 120.300 0.078 0.000 2.615 156 Y HA 0.720 5.271 4.550 0.001 0.000 0.341 156 Y C -3.160 172.796 175.900 0.093 0.000 1.089 156 Y CA -3.535 54.611 58.100 0.076 0.000 1.049 156 Y CB 0.267 38.756 38.460 0.048 0.000 1.296 156 Y HN 0.384 nan 8.280 nan 0.000 0.470 157 P HA 0.136 nan 4.420 nan 0.000 0.260 157 P C 0.727 178.192 177.300 0.274 0.000 1.172 157 P CA 2.688 65.886 63.100 0.163 0.000 0.760 157 P CB 0.398 32.043 31.700 -0.092 0.000 0.773 158 G N 1.615 110.508 108.800 0.155 0.000 2.176 158 G HA2 -0.232 3.728 3.960 0.001 0.000 0.253 158 G HA3 -0.232 3.728 3.960 0.001 0.000 0.253 158 G C 0.222 175.249 174.900 0.212 0.000 0.979 158 G CA -0.066 45.174 45.100 0.234 0.000 0.641 158 G HN 0.661 nan 8.290 nan 0.000 0.530 159 V N 0.693 120.513 119.914 -0.157 0.000 2.775 159 V HA 0.669 4.790 4.120 0.001 0.000 0.299 159 V C 0.422 176.372 176.094 -0.240 0.000 1.062 159 V CA -0.238 61.855 62.300 -0.344 0.000 1.063 159 V CB 1.478 32.755 31.823 -0.911 0.000 0.994 159 V HN 0.738 nan 8.190 nan 0.000 0.483 160 L N 7.672 128.664 121.223 -0.385 0.000 2.295 160 L HA 0.584 4.924 4.340 0.001 0.000 0.281 160 L C -0.801 175.908 176.870 -0.270 0.000 1.018 160 L CA 0.192 54.770 54.840 -0.436 0.000 0.841 160 L CB 1.013 42.575 42.059 -0.828 0.000 1.218 160 L HN 0.701 nan 8.230 nan 0.000 0.424 161 L N 6.450 127.548 121.223 -0.209 0.000 2.346 161 L HA 0.710 5.050 4.340 0.001 0.000 0.276 161 L C -0.774 175.966 176.870 -0.217 0.000 1.006 161 L CA -0.737 53.991 54.840 -0.187 0.000 0.817 161 L CB 1.695 43.664 42.059 -0.150 0.000 1.272 161 L HN 0.749 nan 8.230 nan 0.000 0.421 162 I N 1.365 121.767 120.570 -0.279 0.000 2.562 162 I HA 0.954 5.124 4.170 0.001 0.000 0.301 162 I C -0.133 175.860 176.117 -0.208 0.000 1.003 162 I CA -0.502 60.601 61.300 -0.329 0.000 1.127 162 I CB 1.953 39.574 38.000 -0.631 0.000 1.304 162 I HN 0.580 nan 8.210 nan 0.000 0.446 163 G N 1.647 110.364 108.800 -0.139 0.000 2.682 163 G HA2 0.503 4.464 3.960 0.001 0.000 0.300 163 G HA3 0.503 4.464 3.960 0.001 0.000 0.300 163 G C -0.460 174.419 174.900 -0.035 0.000 1.391 163 G CA -0.633 44.427 45.100 -0.067 0.000 0.990 163 G HN 0.790 nan 8.290 nan 0.000 0.501 164 T N -1.046 113.496 114.554 -0.020 0.000 4.313 164 T HA 0.458 4.809 4.350 0.001 0.000 0.272 164 T C -0.421 174.297 174.700 0.029 0.000 1.298 164 T CA -0.322 61.779 62.100 0.003 0.000 1.124 164 T CB -0.184 68.684 68.868 0.000 0.000 1.352 164 T HN 0.538 nan 8.240 nan 0.000 1.013 165 D N 0.260 120.696 120.400 0.060 0.000 2.746 165 D HA 0.230 4.871 4.640 0.001 0.000 0.211 165 D C 0.915 177.265 176.300 0.084 0.000 1.242 165 D CA -0.250 53.815 54.000 0.110 0.000 0.790 165 D CB 1.165 42.085 40.800 0.199 0.000 1.744 165 D HN 0.124 nan 8.370 nan 0.000 0.520 166 S N 1.941 117.659 115.700 0.030 0.000 2.507 166 S HA -0.119 4.352 4.470 0.001 0.000 0.235 166 S C 0.936 175.383 174.600 -0.255 0.000 0.988 166 S CA 0.849 58.991 58.200 -0.096 0.000 0.944 166 S CB -0.303 62.823 63.200 -0.123 0.000 0.762 166 S HN 0.619 nan 8.310 nan 0.000 0.526 167 H N 0.685 119.730 119.070 -0.041 0.000 2.519 167 H HA 0.297 4.853 4.556 0.001 0.000 0.289 167 H C 1.476 176.362 175.328 -0.738 0.000 1.040 167 H CA 0.473 56.358 56.048 -0.271 0.000 1.165 167 H CB 0.020 29.671 29.762 -0.185 0.000 1.462 167 H HN 0.343 nan 8.280 nan 0.000 0.555 168 T N 1.062 115.394 114.554 -0.370 0.000 2.822 168 T HA -0.118 4.233 4.350 0.001 0.000 0.270 168 T C -0.690 173.895 174.700 -0.193 0.000 1.064 168 T CA 0.837 62.786 62.100 -0.252 0.000 1.131 168 T CB -0.853 67.998 68.868 -0.028 0.000 0.858 168 T HN 0.361 nan 8.240 nan 0.000 0.483 169 P HA -0.122 nan 4.420 nan 0.000 0.221 169 P C 1.130 178.391 177.300 -0.065 0.000 1.141 169 P CA 0.885 63.946 63.100 -0.066 0.000 0.794 169 P CB -0.250 31.433 31.700 -0.028 0.000 0.764 170 N N -0.374 118.241 118.700 -0.142 0.000 2.132 170 N HA -0.163 4.577 4.740 0.001 0.000 0.191 170 N C 1.780 177.246 175.510 -0.073 0.000 1.015 170 N CA 1.722 54.702 53.050 -0.115 0.000 0.864 170 N CB -0.918 37.460 38.487 -0.181 0.000 1.006 170 N HN 0.060 nan 8.380 nan 0.000 0.430 171 G N -1.278 107.486 108.800 -0.061 0.000 2.625 171 G HA2 -0.074 3.886 3.960 0.001 0.000 0.214 171 G HA3 -0.074 3.886 3.960 0.001 0.000 0.214 171 G C 1.302 176.192 174.900 -0.017 0.000 1.132 171 G CA 0.500 45.578 45.100 -0.038 0.000 0.782 171 G HN 0.427 nan 8.290 nan 0.000 0.538 172 G N 0.723 109.529 108.800 0.011 0.000 2.509 172 G HA2 0.086 4.046 3.960 0.001 0.000 0.218 172 G HA3 0.086 4.046 3.960 0.001 0.000 0.218 172 G C 1.593 176.558 174.900 0.108 0.000 1.124 172 G CA 0.934 46.080 45.100 0.077 0.000 0.776 172 G HN 0.462 nan 8.290 nan 0.000 0.547 173 G N 0.007 108.808 108.800 0.002 0.000 2.535 173 G HA2 0.008 3.969 3.960 0.001 0.000 0.218 173 G HA3 0.008 3.969 3.960 0.001 0.000 0.218 173 G C 1.062 175.899 174.900 -0.106 0.000 1.122 173 G CA 0.357 45.381 45.100 -0.126 0.000 0.769 173 G HN 0.373 nan 8.290 nan 0.000 0.549 174 L N -0.001 121.210 121.223 -0.021 0.000 3.168 174 L HA 0.458 4.799 4.340 0.001 0.000 0.277 174 L C 1.454 178.390 176.870 0.110 0.000 1.245 174 L CA 0.243 55.110 54.840 0.045 0.000 1.035 174 L CB 0.073 42.158 42.059 0.044 0.000 1.399 174 L HN 0.296 nan 8.230 nan 0.000 0.580 175 G N -0.986 107.890 108.800 0.126 0.000 2.141 175 G HA2 -0.187 3.773 3.960 0.001 0.000 0.242 175 G HA3 -0.187 3.773 3.960 0.001 0.000 0.242 175 G C 0.578 175.538 174.900 0.099 0.000 0.982 175 G CA 0.033 45.228 45.100 0.158 0.000 0.662 175 G HN 0.789 nan 8.290 nan 0.000 0.527 176 G N -0.973 107.853 108.800 0.044 0.000 2.509 176 G HA2 0.648 4.608 3.960 0.001 0.000 0.328 176 G HA3 0.648 4.608 3.960 0.001 0.000 0.328 176 G C -0.291 174.609 174.900 -0.001 0.000 1.194 176 G CA -0.985 44.106 45.100 -0.015 0.000 0.967 176 G HN 0.304 nan 8.290 nan 0.000 0.488 177 I N 0.694 121.248 120.570 -0.027 0.000 2.291 177 I HA 0.260 4.431 4.170 0.001 0.000 0.290 177 I C -0.428 175.660 176.117 -0.049 0.000 1.050 177 I CA -0.577 60.715 61.300 -0.014 0.000 1.245 177 I CB 0.384 38.384 38.000 -0.000 0.000 1.405 177 I HN 0.150 nan 8.210 nan 0.000 0.478 178 C N 7.895 127.175 119.300 -0.032 0.000 2.322 178 C HA 0.605 5.065 4.460 0.001 0.000 0.324 178 C C 0.320 175.291 174.990 -0.032 0.000 1.249 178 C CA -0.738 58.246 59.018 -0.056 0.000 1.453 178 C CB 0.448 28.153 27.740 -0.058 0.000 2.145 178 C HN 0.524 nan 8.230 nan 0.000 0.466 179 I N 2.443 122.989 120.570 -0.039 0.000 2.465 179 I HA 0.476 4.646 4.170 0.001 0.000 0.291 179 I C 0.816 176.922 176.117 -0.018 0.000 1.014 179 I CA -0.112 61.199 61.300 0.017 0.000 1.093 179 I CB 1.711 39.802 38.000 0.152 0.000 1.267 179 I HN 0.798 nan 8.210 nan 0.000 0.431 180 G N 5.484 114.293 108.800 0.015 0.000 2.378 180 G HA2 0.488 4.448 3.960 0.001 0.000 0.255 180 G HA3 0.488 4.448 3.960 0.001 0.000 0.255 180 G C -0.319 174.618 174.900 0.062 0.000 1.270 180 G CA -0.142 44.969 45.100 0.018 0.000 0.876 180 G HN 0.534 nan 8.290 nan 0.000 0.521 181 V N 0.429 120.363 119.914 0.035 0.000 3.130 181 V HA 0.979 5.099 4.120 0.001 0.000 0.310 181 V C 0.575 176.701 176.094 0.053 0.000 1.158 181 V CA -0.554 61.790 62.300 0.074 0.000 1.029 181 V CB 1.423 33.253 31.823 0.012 0.000 1.057 181 V HN 0.996 nan 8.190 nan 0.000 0.436 182 G N 0.134 108.975 108.800 0.069 0.000 2.537 182 G HA2 0.481 4.441 3.960 0.001 0.000 0.273 182 G HA3 0.481 4.441 3.960 0.001 0.000 0.273 182 G C 0.963 175.873 174.900 0.016 0.000 1.189 182 G CA -0.109 45.022 45.100 0.050 0.000 0.881 182 G HN 1.551 nan 8.290 nan 0.000 0.535 183 G N 0.104 108.910 108.800 0.009 0.000 2.450 183 G HA2 -0.009 3.952 3.960 0.001 0.000 0.220 183 G HA3 -0.009 3.952 3.960 0.001 0.000 0.220 183 G C 1.873 176.761 174.900 -0.021 0.000 1.130 183 G CA 1.664 46.762 45.100 -0.004 0.000 0.760 183 G HN 0.943 nan 8.290 nan 0.000 0.557 184 A N 0.706 123.503 122.820 -0.038 0.000 2.015 184 A HA 0.028 4.348 4.320 0.001 0.000 0.219 184 A C 2.036 179.585 177.584 -0.059 0.000 1.163 184 A CA 1.987 53.981 52.037 -0.072 0.000 0.646 184 A CB -0.229 18.691 19.000 -0.134 0.000 0.806 184 A HN 0.285 nan 8.150 nan 0.000 0.448 185 D N -0.023 120.370 120.400 -0.011 0.000 2.149 185 D HA 0.063 4.704 4.640 0.001 0.000 0.201 185 D C 2.229 178.507 176.300 -0.037 0.000 0.972 185 D CA 1.330 55.367 54.000 0.061 0.000 0.835 185 D CB -0.303 40.607 40.800 0.183 0.000 0.966 185 D HN 0.384 nan 8.370 nan 0.000 0.476 186 A N 0.393 123.165 122.820 -0.081 0.000 1.940 186 A HA -0.151 4.169 4.320 0.001 0.000 0.219 186 A C 2.404 179.955 177.584 -0.055 0.000 1.176 186 A CA 1.157 53.127 52.037 -0.112 0.000 0.631 186 A CB -0.783 18.160 19.000 -0.095 0.000 0.814 186 A HN 0.143 nan 8.150 nan 0.000 0.446 187 V N 0.704 120.617 119.914 -0.003 0.000 2.287 187 V HA -0.279 3.841 4.120 0.001 0.000 0.248 187 V C 2.219 178.365 176.094 0.086 0.000 1.053 187 V CA 2.350 64.699 62.300 0.082 0.000 1.027 187 V CB -0.850 31.012 31.823 0.065 0.000 0.646 187 V HN 0.519 nan 8.190 nan 0.000 0.447 188 D N 0.017 120.446 120.400 0.049 0.000 2.116 188 D HA -0.160 4.480 4.640 0.001 0.000 0.193 188 D C 2.112 178.467 176.300 0.092 0.000 0.998 188 D CA 1.568 55.617 54.000 0.082 0.000 0.836 188 D CB -0.379 40.504 40.800 0.138 0.000 0.951 188 D HN 0.354 nan 8.370 nan 0.000 0.449 189 V N 0.652 120.595 119.914 0.048 0.000 2.453 189 V HA -0.156 3.964 4.120 0.001 0.000 0.247 189 V C 2.468 178.578 176.094 0.026 0.000 1.048 189 V CA 1.075 63.392 62.300 0.027 0.000 1.049 189 V CB -0.329 31.450 31.823 -0.074 0.000 0.672 189 V HN 0.187 nan 8.190 nan 0.000 0.457 190 M N -0.025 119.579 119.600 0.007 0.000 2.279 190 M HA -0.094 4.386 4.480 0.001 0.000 0.264 190 M C 2.106 178.497 176.300 0.151 0.000 1.062 190 M CA 1.778 57.071 55.300 -0.011 0.000 1.099 190 M CB -0.394 32.095 32.600 -0.185 0.000 1.394 190 M HN 0.388 nan 8.290 nan 0.000 0.426 191 A N -0.446 122.501 122.820 0.212 0.000 2.169 191 A HA 0.319 4.639 4.320 0.001 0.000 0.212 191 A C 1.714 179.373 177.584 0.125 0.000 1.153 191 A CA 0.959 53.120 52.037 0.206 0.000 0.756 191 A CB -0.595 18.482 19.000 0.127 0.000 0.813 191 A HN 0.624 nan 8.150 nan 0.000 0.471 192 G N -0.593 108.270 108.800 0.104 0.000 2.141 192 G HA2 -0.221 3.739 3.960 0.001 0.000 0.242 192 G HA3 -0.221 3.739 3.960 0.001 0.000 0.242 192 G C 0.214 175.170 174.900 0.094 0.000 0.982 192 G CA 0.249 45.404 45.100 0.091 0.000 0.662 192 G HN 1.351 nan 8.290 nan 0.000 0.527 193 I N -1.653 118.979 120.570 0.103 0.000 2.577 193 I HA 0.773 4.944 4.170 0.001 0.000 0.305 193 I C -2.192 174.011 176.117 0.144 0.000 0.986 193 I CA -3.107 58.259 61.300 0.111 0.000 1.189 193 I CB 1.250 39.313 38.000 0.105 0.000 1.355 193 I HN -0.144 nan 8.210 nan 0.000 0.476 194 P HA -0.066 nan 4.420 nan 0.000 0.264 194 P C -1.440 176.008 177.300 0.247 0.000 1.183 194 P CA 0.283 63.489 63.100 0.176 0.000 0.763 194 P CB 0.146 31.921 31.700 0.125 0.000 0.807 195 W N 4.365 125.714 121.300 0.080 0.000 2.316 195 W HA 0.236 4.897 4.660 0.001 0.000 0.311 195 W C -0.335 176.243 176.519 0.099 0.000 1.217 195 W CA -0.390 57.006 57.345 0.085 0.000 1.199 195 W CB 0.551 30.051 29.460 0.067 0.000 1.202 195 W HN 0.363 nan 8.180 nan 0.000 0.528 196 E N 4.975 124.937 120.200 -0.396 0.000 2.175 196 E HA 0.440 4.790 4.350 0.001 0.000 0.278 196 E C -1.488 174.679 176.600 -0.722 0.000 0.969 196 E CA -1.070 55.083 56.400 -0.412 0.000 0.796 196 E CB 1.859 31.429 29.700 -0.217 0.000 1.104 196 E HN 0.390 nan 8.360 nan 0.000 0.395 197 L N 2.989 123.913 121.223 -0.500 0.000 2.436 197 L HA 0.335 4.676 4.340 0.001 0.000 0.268 197 L C -1.011 175.803 176.870 -0.092 0.000 0.974 197 L CA -0.861 53.734 54.840 -0.408 0.000 0.826 197 L CB 1.593 43.288 42.059 -0.606 0.000 1.291 197 L HN 0.209 nan 8.230 nan 0.000 0.406 198 K N 3.760 124.121 120.400 -0.064 0.000 2.447 198 K HA 0.113 4.434 4.320 0.001 0.000 0.281 198 K C -0.398 176.101 176.600 -0.168 0.000 1.031 198 K CA 0.186 56.274 56.287 -0.332 0.000 1.019 198 K CB 0.177 32.447 32.500 -0.383 0.000 0.918 198 K HN 0.725 nan 8.250 nan 0.000 0.476 199 C N 9.061 128.267 119.300 -0.156 0.000 2.519 199 C HA 0.138 4.598 4.460 0.001 0.000 0.402 199 C C -1.950 173.030 174.990 -0.016 0.000 1.475 199 C CA -1.499 57.500 59.018 -0.031 0.000 1.504 199 C CB -0.820 26.907 27.740 -0.022 0.000 2.454 199 C HN 0.689 nan 8.230 nan 0.000 0.615 200 P HA 0.227 nan 4.420 nan 0.000 0.277 200 P C -0.688 176.627 177.300 0.025 0.000 1.240 200 P CA -0.142 62.966 63.100 0.013 0.000 0.798 200 P CB 0.612 32.323 31.700 0.019 0.000 0.979 201 K N 0.827 121.235 120.400 0.013 0.000 2.149 201 K HA 0.400 4.721 4.320 0.001 0.000 0.245 201 K C -0.187 176.423 176.600 0.016 0.000 1.024 201 K CA -0.624 55.675 56.287 0.019 0.000 0.899 201 K CB 0.207 32.712 32.500 0.009 0.000 1.038 201 K HN 0.245 nan 8.250 nan 0.000 0.496 202 V N 2.094 122.022 119.914 0.023 0.000 2.525 202 V HA 0.373 4.493 4.120 0.001 0.000 0.299 202 V C -0.071 176.029 176.094 0.009 0.000 1.034 202 V CA -0.733 61.588 62.300 0.036 0.000 0.863 202 V CB 1.494 33.387 31.823 0.117 0.000 0.999 202 V HN 0.525 nan 8.190 nan 0.000 0.423 203 I N 3.875 124.391 120.570 -0.090 0.000 2.321 203 I HA 0.564 4.735 4.170 0.001 0.000 0.291 203 I C 0.923 176.805 176.117 -0.392 0.000 0.998 203 I CA -0.097 61.096 61.300 -0.178 0.000 1.227 203 I CB 1.617 39.520 38.000 -0.162 0.000 1.368 203 I HN 0.740 nan 8.210 nan 0.000 0.466 204 G N 5.711 114.141 108.800 -0.617 0.000 2.332 204 G HA2 0.543 4.503 3.960 0.001 0.000 0.310 204 G HA3 0.543 4.503 3.960 0.001 0.000 0.310 204 G C -0.812 173.768 174.900 -0.532 0.000 1.123 204 G CA -0.272 44.191 45.100 -1.061 0.000 0.873 204 G HN 0.355 nan 8.290 nan 0.000 0.460 205 V N 2.604 122.174 119.914 -0.573 0.000 2.378 205 V HA 0.342 4.462 4.120 0.001 0.000 0.288 205 V C 0.165 175.890 176.094 -0.615 0.000 1.016 205 V CA -0.920 61.067 62.300 -0.523 0.000 0.840 205 V CB 1.413 32.825 31.823 -0.685 0.000 0.994 205 V HN 0.793 nan 8.190 nan 0.000 0.431 206 K N 5.712 125.780 120.400 -0.553 0.000 2.248 206 K HA 0.619 4.939 4.320 0.001 0.000 0.281 206 K C -1.042 175.395 176.600 -0.273 0.000 1.054 206 K CA -0.459 55.446 56.287 -0.637 0.000 0.903 206 K CB 0.746 32.999 32.500 -0.412 0.000 1.077 206 K HN 0.617 nan 8.250 nan 0.000 0.474 207 L N 3.427 124.532 121.223 -0.196 0.000 2.295 207 L HA 0.424 4.764 4.340 0.001 0.000 0.285 207 L C 0.113 176.962 176.870 -0.034 0.000 1.035 207 L CA -0.694 54.115 54.840 -0.051 0.000 0.806 207 L CB 1.915 43.998 42.059 0.040 0.000 1.214 207 L HN 0.688 nan 8.230 nan 0.000 0.426 208 T N 0.979 115.526 114.554 -0.012 0.000 2.916 208 T HA 0.744 5.095 4.350 0.001 0.000 0.292 208 T C 0.135 174.844 174.700 0.014 0.000 1.064 208 T CA 0.530 62.631 62.100 0.001 0.000 1.011 208 T CB 1.974 70.836 68.868 -0.009 0.000 1.152 208 T HN 1.009 nan 8.240 nan 0.000 0.510 209 G N 2.027 110.838 108.800 0.018 0.000 2.562 209 G HA2 -0.006 3.954 3.960 0.001 0.000 0.250 209 G HA3 -0.006 3.954 3.960 0.001 0.000 0.250 209 G C -0.237 174.678 174.900 0.025 0.000 1.269 209 G CA 0.056 45.169 45.100 0.021 0.000 0.919 209 G HN 1.807 nan 8.290 nan 0.000 0.574 210 S N -1.664 114.050 115.700 0.024 0.000 2.570 210 S HA 0.714 5.184 4.470 0.001 0.000 0.270 210 S C -0.439 174.174 174.600 0.022 0.000 1.149 210 S CA -0.549 57.666 58.200 0.024 0.000 0.837 210 S CB 1.765 64.978 63.200 0.022 0.000 1.124 210 S HN 1.168 nan 8.310 nan 0.000 0.465 211 L N 2.546 123.780 121.223 0.019 0.000 2.439 211 L HA 0.575 4.916 4.340 0.001 0.000 0.269 211 L C 0.456 177.334 176.870 0.013 0.000 1.179 211 L CA 0.085 54.936 54.840 0.018 0.000 0.828 211 L CB 1.031 43.096 42.059 0.011 0.000 1.106 211 L HN 1.012 nan 8.230 nan 0.000 0.467 212 S N 0.571 116.283 115.700 0.019 0.000 2.541 212 S HA 0.822 5.292 4.470 0.001 0.000 0.271 212 S C -0.076 174.533 174.600 0.015 0.000 1.133 212 S CA -0.238 57.967 58.200 0.008 0.000 0.876 212 S CB 1.862 65.070 63.200 0.013 0.000 1.105 212 S HN 1.211 nan 8.310 nan 0.000 0.470 213 G N 1.804 110.588 108.800 -0.027 0.000 2.531 213 G HA2 -0.322 3.638 3.960 0.001 0.000 0.274 213 G HA3 -0.322 3.638 3.960 0.001 0.000 0.274 213 G C 0.287 175.137 174.900 -0.083 0.000 1.159 213 G CA 0.534 45.599 45.100 -0.058 0.000 0.969 213 G HN 0.979 nan 8.290 nan 0.000 0.554 214 W N 1.828 123.111 121.300 -0.028 0.000 2.678 214 W HA 0.311 4.971 4.660 0.000 0.000 0.256 214 W C 1.795 178.304 176.519 -0.017 0.000 1.280 214 W CA 1.054 58.381 57.345 -0.030 0.000 1.345 214 W CB -0.187 29.246 29.460 -0.044 0.000 1.118 214 W HN 0.480 nan 8.180 nan 0.000 0.629 215 T N 0.972 115.636 114.554 0.183 0.000 2.919 215 T HA 0.318 4.668 4.350 0.001 0.000 0.302 215 T C 0.419 175.164 174.700 0.076 0.000 1.031 215 T CA -0.087 62.089 62.100 0.127 0.000 1.127 215 T CB 1.113 70.041 68.868 0.101 0.000 0.952 215 T HN -0.016 nan 8.240 nan 0.000 0.540 216 S N 2.043 117.783 115.700 0.067 0.000 2.697 216 S HA 0.558 5.028 4.470 0.001 0.000 0.289 216 S C -2.428 172.181 174.600 0.015 0.000 1.149 216 S CA -1.631 56.587 58.200 0.030 0.000 0.850 216 S CB 1.455 64.676 63.200 0.035 0.000 1.151 216 S HN 0.258 nan 8.310 nan 0.000 0.491 217 P HA -0.084 nan 4.420 nan 0.000 0.217 217 P C 1.250 178.538 177.300 -0.020 0.000 1.148 217 P CA 1.290 64.370 63.100 -0.034 0.000 0.828 217 P CB 0.045 31.699 31.700 -0.077 0.000 0.783 218 K N 0.149 120.547 120.400 -0.004 0.000 2.147 218 K HA -0.158 4.163 4.320 0.001 0.000 0.205 218 K C 1.543 178.155 176.600 0.019 0.000 1.049 218 K CA 1.607 57.898 56.287 0.007 0.000 0.936 218 K CB -1.063 31.450 32.500 0.020 0.000 0.722 218 K HN 0.033 nan 8.250 nan 0.000 0.446 219 D N -0.280 120.142 120.400 0.037 0.000 2.178 219 D HA -0.122 4.519 4.640 0.001 0.000 0.201 219 D C 1.834 178.116 176.300 -0.029 0.000 0.980 219 D CA 1.094 55.118 54.000 0.040 0.000 0.842 219 D CB -0.002 40.858 40.800 0.100 0.000 0.948 219 D HN 0.056 nan 8.370 nan 0.000 0.472 220 V N 1.169 121.079 119.914 -0.007 0.000 2.261 220 V HA -0.215 3.906 4.120 0.001 0.000 0.246 220 V C 2.392 178.486 176.094 -0.000 0.000 1.047 220 V CA 1.142 63.442 62.300 -0.000 0.000 1.015 220 V CB -0.257 31.581 31.823 0.026 0.000 0.642 220 V HN 0.122 nan 8.190 nan 0.000 0.446 221 I N -0.908 119.666 120.570 0.006 0.000 2.876 221 I HA -0.036 4.134 4.170 0.001 0.000 0.264 221 I C 1.928 178.040 176.117 -0.007 0.000 1.204 221 I CA 1.238 62.553 61.300 0.025 0.000 1.485 221 I CB -0.183 37.837 38.000 0.033 0.000 1.103 221 I HN 0.147 nan 8.210 nan 0.000 0.446 222 L N 0.019 121.223 121.223 -0.032 0.000 2.141 222 L HA -0.178 4.162 4.340 0.001 0.000 0.209 222 L C 2.431 179.213 176.870 -0.146 0.000 1.094 222 L CA 1.230 56.042 54.840 -0.048 0.000 0.763 222 L CB -0.629 41.434 42.059 0.007 0.000 0.908 222 L HN 0.180 nan 8.230 nan 0.000 0.437 223 K N 0.248 120.492 120.400 -0.261 0.000 2.031 223 K HA -0.098 4.223 4.320 0.001 0.000 0.205 223 K C 1.880 178.404 176.600 -0.126 0.000 1.049 223 K CA 1.309 57.410 56.287 -0.310 0.000 0.939 223 K CB -0.423 31.879 32.500 -0.330 0.000 0.717 223 K HN -0.029 nan 8.250 nan 0.000 0.438 224 V N 1.280 121.157 119.914 -0.062 0.000 2.282 224 V HA -0.299 3.822 4.120 0.001 0.000 0.249 224 V C 2.379 178.463 176.094 -0.017 0.000 1.057 224 V CA 2.166 64.453 62.300 -0.021 0.000 1.032 224 V CB -1.007 30.835 31.823 0.033 0.000 0.645 224 V HN 0.518 nan 8.190 nan 0.000 0.447 225 A N 0.375 123.190 122.820 -0.008 0.000 1.908 225 A HA -0.126 4.195 4.320 0.001 0.000 0.218 225 A C 2.430 180.013 177.584 -0.002 0.000 1.181 225 A CA 2.028 54.067 52.037 0.005 0.000 0.627 225 A CB -1.294 17.714 19.000 0.013 0.000 0.818 225 A HN 0.558 nan 8.150 nan 0.000 0.445 226 G N -0.279 108.509 108.800 -0.019 0.000 2.432 226 G HA2 -0.158 3.803 3.960 0.001 0.000 0.219 226 G HA3 -0.158 3.803 3.960 0.001 0.000 0.219 226 G C 1.500 176.398 174.900 -0.004 0.000 1.135 226 G CA 1.135 46.229 45.100 -0.010 0.000 0.767 226 G HN 0.495 nan 8.290 nan 0.000 0.550 227 I N -0.285 120.276 120.570 -0.014 0.000 2.162 227 I HA -0.033 4.137 4.170 0.001 0.000 0.238 227 I C 2.385 178.499 176.117 -0.006 0.000 1.076 227 I CA 0.404 61.698 61.300 -0.011 0.000 1.353 227 I CB -0.121 37.865 38.000 -0.023 0.000 1.063 227 I HN 0.043 nan 8.210 nan 0.000 0.408 228 L N 0.477 121.695 121.223 -0.008 0.000 2.217 228 L HA 0.003 4.343 4.340 0.001 0.000 0.211 228 L C 1.062 177.938 176.870 0.008 0.000 1.107 228 L CA 1.478 56.315 54.840 -0.004 0.000 0.783 228 L CB -1.357 40.696 42.059 -0.010 0.000 0.919 228 L HN 0.691 nan 8.230 nan 0.000 0.442 229 T N -5.329 109.235 114.554 0.016 0.000 0.541 229 T HA -0.233 4.117 4.350 0.001 0.000 0.774 229 T C 0.963 175.686 174.700 0.038 0.000 0.992 229 T CA 0.793 62.909 62.100 0.028 0.000 4.077 229 T CB -1.262 67.622 68.868 0.026 0.000 2.303 229 T HN 0.327 nan 8.240 nan 0.000 0.398 230 V N -0.308 119.638 119.914 0.054 0.000 2.913 230 V HA 0.047 4.168 4.120 0.001 0.000 0.260 230 V C 2.087 178.216 176.094 0.060 0.000 1.098 230 V CA 1.979 64.323 62.300 0.073 0.000 1.121 230 V CB -1.326 30.561 31.823 0.106 0.000 0.714 230 V HN 1.121 nan 8.190 nan 0.000 0.487 231 K N 0.527 120.953 120.400 0.043 0.000 2.373 231 K HA 0.423 4.744 4.320 0.001 0.000 0.202 231 K C 1.753 178.372 176.600 0.030 0.000 1.025 231 K CA 0.587 56.897 56.287 0.039 0.000 1.115 231 K CB 0.433 32.952 32.500 0.031 0.000 0.858 231 K HN 0.309 nan 8.250 nan 0.000 0.525 232 G N 1.204 110.018 108.800 0.024 0.000 2.534 232 G HA2 -0.100 3.860 3.960 0.001 0.000 0.217 232 G HA3 -0.100 3.860 3.960 0.001 0.000 0.217 232 G C 1.182 176.086 174.900 0.008 0.000 1.128 232 G CA 0.494 45.601 45.100 0.012 0.000 0.784 232 G HN 0.430 nan 8.290 nan 0.000 0.542 233 G N -0.183 108.625 108.800 0.014 0.000 3.088 233 G HA2 0.226 4.186 3.960 0.001 0.000 0.217 233 G HA3 0.226 4.186 3.960 0.001 0.000 0.217 233 G C 0.595 175.506 174.900 0.018 0.000 1.159 233 G CA 0.030 45.135 45.100 0.008 0.000 0.760 233 G HN 0.254 nan 8.290 nan 0.000 0.550 234 T N 0.991 115.562 114.554 0.029 0.000 2.908 234 T HA 0.374 4.724 4.350 0.001 0.000 0.301 234 T C 1.561 176.278 174.700 0.029 0.000 1.019 234 T CA 1.131 63.255 62.100 0.041 0.000 1.152 234 T CB 0.826 69.726 68.868 0.053 0.000 0.966 234 T HN 0.931 nan 8.240 nan 0.000 0.540 235 G N 1.522 110.340 108.800 0.030 0.000 2.179 235 G HA2 -0.014 3.946 3.960 0.001 0.000 0.260 235 G HA3 -0.014 3.946 3.960 0.001 0.000 0.260 235 G C 0.123 175.027 174.900 0.007 0.000 0.977 235 G CA -0.012 45.096 45.100 0.014 0.000 0.641 235 G HN 1.219 nan 8.290 nan 0.000 0.533 236 A N -0.526 122.299 122.820 0.009 0.000 2.380 236 A HA 0.867 5.187 4.320 0.001 0.000 0.315 236 A C -0.129 177.456 177.584 0.001 0.000 1.101 236 A CA -0.717 51.320 52.037 0.001 0.000 0.771 236 A CB 1.253 20.245 19.000 -0.013 0.000 1.287 236 A HN 0.634 nan 8.150 nan 0.000 0.436 237 I N 1.397 121.965 120.570 -0.004 0.000 2.385 237 I HA 0.312 4.482 4.170 0.001 0.000 0.294 237 I C -0.575 175.511 176.117 -0.051 0.000 0.988 237 I CA -0.758 60.538 61.300 -0.007 0.000 1.265 237 I CB 1.804 39.806 38.000 0.004 0.000 1.388 237 I HN 0.286 nan 8.210 nan 0.000 0.480 238 V N 5.781 125.653 119.914 -0.069 0.000 2.406 238 V HA 0.210 4.330 4.120 0.001 0.000 0.272 238 V C 0.086 176.036 176.094 -0.241 0.000 1.043 238 V CA -0.408 61.773 62.300 -0.198 0.000 0.915 238 V CB 1.185 32.898 31.823 -0.183 0.000 0.988 238 V HN 0.713 nan 8.190 nan 0.000 0.466 239 E N 4.117 124.088 120.200 -0.381 0.000 2.145 239 E HA 0.401 4.751 4.350 0.001 0.000 0.262 239 E C -1.555 174.767 176.600 -0.464 0.000 0.883 239 E CA -0.621 55.607 56.400 -0.287 0.000 0.748 239 E CB 0.898 30.524 29.700 -0.123 0.000 1.140 239 E HN 0.630 nan 8.360 nan 0.000 0.417 240 Y N 4.392 124.439 120.300 -0.422 0.000 2.319 240 Y HA 0.257 4.807 4.550 0.001 0.000 0.328 240 Y C 0.809 176.546 175.900 -0.271 0.000 1.133 240 Y CA 0.101 57.860 58.100 -0.569 0.000 1.265 240 Y CB 0.737 38.368 38.460 -1.382 0.000 1.218 240 Y HN 0.518 nan 8.280 nan 0.000 0.508 241 H N -0.239 118.749 119.070 -0.136 0.000 2.918 241 H HA 0.756 5.312 4.556 0.001 0.000 0.303 241 H C -0.230 175.111 175.328 0.022 0.000 1.380 241 H CA -1.253 54.786 56.048 -0.016 0.000 1.134 241 H CB 1.417 31.185 29.762 0.011 0.000 1.842 241 H HN 0.914 nan 8.280 nan 0.000 0.533 242 G N 0.166 109.010 108.800 0.074 0.000 2.570 242 G HA2 -0.101 3.859 3.960 0.001 0.000 0.686 242 G HA3 -0.101 3.859 3.960 0.001 0.000 0.686 242 G C -2.213 172.722 174.900 0.058 0.000 1.257 242 G CA -0.308 44.800 45.100 0.013 0.000 0.846 242 G HN 0.553 nan 8.290 nan 0.000 0.627 243 P HA -0.056 nan 4.420 nan 0.000 0.221 243 P C 1.779 179.114 177.300 0.058 0.000 1.145 243 P CA 1.919 65.052 63.100 0.054 0.000 0.795 243 P CB -0.153 31.570 31.700 0.039 0.000 0.775 244 G N 0.157 108.988 108.800 0.051 0.000 2.534 244 G HA2 -0.113 3.847 3.960 0.001 0.000 0.217 244 G HA3 -0.113 3.847 3.960 0.001 0.000 0.217 244 G C 1.652 176.607 174.900 0.092 0.000 1.128 244 G CA 0.102 45.237 45.100 0.058 0.000 0.784 244 G HN 0.149 nan 8.290 nan 0.000 0.542 245 V N 1.233 121.227 119.914 0.133 0.000 2.380 245 V HA -0.188 3.933 4.120 0.001 0.000 0.251 245 V C 2.255 178.422 176.094 0.123 0.000 1.063 245 V CA 2.091 64.517 62.300 0.209 0.000 1.055 245 V CB -0.237 31.748 31.823 0.271 0.000 0.657 245 V HN 0.391 nan 8.190 nan 0.000 0.455 246 D N -0.575 119.894 120.400 0.115 0.000 2.363 246 D HA -0.061 4.579 4.640 0.001 0.000 0.226 246 D C 2.137 178.490 176.300 0.088 0.000 1.020 246 D CA 1.193 55.270 54.000 0.128 0.000 0.892 246 D CB 0.211 41.134 40.800 0.205 0.000 0.900 246 D HN 0.562 nan 8.370 nan 0.000 0.531 247 S N -0.091 115.641 115.700 0.054 0.000 2.558 247 S HA 0.044 4.514 4.470 0.001 0.000 0.217 247 S C 0.786 175.378 174.600 -0.012 0.000 0.975 247 S CA -0.252 57.966 58.200 0.029 0.000 0.912 247 S CB 0.122 63.341 63.200 0.032 0.000 0.776 247 S HN 0.066 nan 8.310 nan 0.000 0.526 248 I N 2.721 123.261 120.570 -0.051 0.000 2.412 248 I HA 0.319 4.489 4.170 0.001 0.000 0.296 248 I C 0.436 176.453 176.117 -0.165 0.000 0.987 248 I CA -0.844 60.387 61.300 -0.115 0.000 1.180 248 I CB 2.079 39.979 38.000 -0.167 0.000 1.340 248 I HN 0.209 nan 8.210 nan 0.000 0.455 249 S N 3.200 118.812 115.700 -0.147 0.000 2.584 249 S HA -0.005 4.465 4.470 0.001 0.000 0.270 249 S C 1.160 175.627 174.600 -0.221 0.000 1.346 249 S CA -0.773 57.343 58.200 -0.140 0.000 1.018 249 S CB 1.189 64.343 63.200 -0.077 0.000 0.899 249 S HN 0.894 nan 8.310 nan 0.000 0.542 250 C N 2.082 121.253 119.300 -0.214 0.000 2.401 250 C HA -0.131 4.330 4.460 0.001 0.000 0.276 250 C C 2.957 177.720 174.990 -0.379 0.000 1.233 250 C CA 1.825 60.652 59.018 -0.319 0.000 1.753 250 C CB -2.140 25.405 27.740 -0.325 0.000 2.029 250 C HN 1.061 nan 8.230 nan 0.000 0.478 251 T N -1.785 112.587 114.554 -0.303 0.000 2.995 251 T HA 0.096 4.446 4.350 0.001 0.000 0.269 251 T C 1.921 176.507 174.700 -0.190 0.000 1.091 251 T CA 1.437 63.395 62.100 -0.236 0.000 1.128 251 T CB -0.754 68.052 68.868 -0.104 0.000 0.891 251 T HN 0.602 nan 8.240 nan 0.000 0.492 252 G N 1.473 110.158 108.800 -0.193 0.000 2.402 252 G HA2 -0.084 3.876 3.960 0.001 0.000 0.216 252 G HA3 -0.084 3.876 3.960 0.001 0.000 0.216 252 G C 1.594 176.315 174.900 -0.299 0.000 1.162 252 G CA 0.663 45.647 45.100 -0.194 0.000 0.777 252 G HN 0.465 nan 8.290 nan 0.000 0.539 253 M N 0.717 120.036 119.600 -0.469 0.000 2.175 253 M HA 0.046 4.527 4.480 0.001 0.000 0.264 253 M C 3.029 179.081 176.300 -0.413 0.000 1.063 253 M CA 1.227 56.058 55.300 -0.782 0.000 1.119 253 M CB -0.165 31.758 32.600 -1.128 0.000 1.377 253 M HN 0.319 nan 8.290 nan 0.000 0.415 254 A N -0.018 122.627 122.820 -0.293 0.000 1.930 254 A HA -0.131 4.189 4.320 0.001 0.000 0.217 254 A C 2.168 179.678 177.584 -0.124 0.000 1.175 254 A CA 2.090 54.021 52.037 -0.176 0.000 0.627 254 A CB -1.100 17.790 19.000 -0.184 0.000 0.815 254 A HN 0.424 nan 8.150 nan 0.000 0.443 255 T N 0.484 114.962 114.554 -0.127 0.000 2.665 255 T HA -0.161 4.190 4.350 0.001 0.000 0.268 255 T C 1.777 176.439 174.700 -0.063 0.000 1.035 255 T CA 1.754 63.803 62.100 -0.085 0.000 1.151 255 T CB -0.437 68.384 68.868 -0.078 0.000 0.862 255 T HN 0.441 nan 8.240 nan 0.000 0.438 256 I N 0.520 121.037 120.570 -0.088 0.000 2.252 256 I HA -0.165 4.005 4.170 0.001 0.000 0.245 256 I C 2.649 178.760 176.117 -0.011 0.000 1.102 256 I CA 0.832 62.091 61.300 -0.068 0.000 1.385 256 I CB -0.383 37.528 38.000 -0.149 0.000 1.064 256 I HN 0.329 nan 8.210 nan 0.000 0.414 257 C N 0.440 119.750 119.300 0.017 0.000 2.425 257 C HA -0.145 4.315 4.460 0.001 0.000 0.277 257 C C 2.709 177.731 174.990 0.054 0.000 1.280 257 C CA 0.834 59.902 59.018 0.082 0.000 1.744 257 C CB -1.479 26.320 27.740 0.099 0.000 1.989 257 C HN 0.591 nan 8.230 nan 0.000 0.491 258 N N 1.185 119.894 118.700 0.016 0.000 2.018 258 N HA -0.185 4.556 4.740 0.001 0.000 0.196 258 N C 1.654 177.252 175.510 0.147 0.000 1.043 258 N CA 1.820 54.894 53.050 0.039 0.000 0.856 258 N CB -0.464 38.008 38.487 -0.025 0.000 1.042 258 N HN 0.503 nan 8.380 nan 0.000 0.423 259 M N 0.353 120.010 119.600 0.096 0.000 2.659 259 M HA 0.056 4.536 4.480 0.001 0.000 0.243 259 M C 1.480 177.841 176.300 0.102 0.000 1.111 259 M CA 0.437 55.809 55.300 0.120 0.000 1.070 259 M CB -0.116 32.518 32.600 0.057 0.000 1.525 259 M HN 0.211 nan 8.290 nan 0.000 0.517 260 G N -0.251 108.606 108.800 0.095 0.000 2.498 260 G HA2 -0.152 3.808 3.960 0.001 0.000 0.219 260 G HA3 -0.152 3.808 3.960 0.001 0.000 0.219 260 G C 1.421 176.351 174.900 0.050 0.000 1.119 260 G CA 0.776 45.927 45.100 0.084 0.000 0.766 260 G HN 0.603 nan 8.290 nan 0.000 0.552 261 A N 0.806 123.643 122.820 0.027 0.000 1.972 261 A HA 0.011 4.331 4.320 0.001 0.000 0.219 261 A C 2.099 179.684 177.584 0.002 0.000 1.169 261 A CA 1.814 53.819 52.037 -0.053 0.000 0.635 261 A CB -0.204 18.608 19.000 -0.315 0.000 0.810 261 A HN 0.302 nan 8.150 nan 0.000 0.446 262 E N -0.434 119.798 120.200 0.054 0.000 2.516 262 E HA -0.007 4.343 4.350 0.001 0.000 0.199 262 E C 1.360 178.008 176.600 0.080 0.000 1.069 262 E CA 0.756 57.202 56.400 0.077 0.000 0.876 262 E CB -0.225 29.517 29.700 0.070 0.000 0.843 262 E HN 0.892 nan 8.360 nan 0.000 0.530 263 I N -5.716 114.890 120.570 0.060 0.000 4.025 263 I HA 0.443 4.613 4.170 0.001 0.000 0.336 263 I C 1.154 177.301 176.117 0.050 0.000 1.390 263 I CA 0.332 61.664 61.300 0.053 0.000 1.099 263 I CB 0.497 38.519 38.000 0.036 0.000 1.049 263 I HN 0.043 nan 8.210 nan 0.000 0.394 264 G N 1.756 110.588 108.800 0.053 0.000 2.157 264 G HA2 -0.237 3.723 3.960 0.001 0.000 0.248 264 G HA3 -0.237 3.723 3.960 0.001 0.000 0.248 264 G C 0.501 175.428 174.900 0.045 0.000 0.979 264 G CA -0.028 45.105 45.100 0.055 0.000 0.650 264 G HN 0.921 nan 8.290 nan 0.000 0.529 265 A N -0.022 122.819 122.820 0.034 0.000 2.498 265 A HA 0.593 4.913 4.320 0.001 0.000 0.239 265 A C 1.674 179.280 177.584 0.037 0.000 1.068 265 A CA 1.542 53.596 52.037 0.029 0.000 0.766 265 A CB 0.182 19.197 19.000 0.025 0.000 1.003 265 A HN 0.756 nan 8.150 nan 0.000 0.497 266 T N 0.483 115.062 114.554 0.042 0.000 2.759 266 T HA 0.049 4.399 4.350 0.001 0.000 0.269 266 T C 0.953 175.688 174.700 0.058 0.000 1.042 266 T CA 2.064 64.200 62.100 0.060 0.000 1.140 266 T CB -0.208 68.697 68.868 0.062 0.000 0.864 266 T HN 1.053 nan 8.240 nan 0.000 0.455 267 T N -1.076 113.506 114.554 0.046 0.000 2.648 267 T HA 0.446 4.797 4.350 0.001 0.000 0.300 267 T C -2.013 172.720 174.700 0.054 0.000 1.751 267 T CA -0.719 61.407 62.100 0.044 0.000 0.959 267 T CB 1.109 70.005 68.868 0.046 0.000 1.888 267 T HN 0.028 nan 8.240 nan 0.000 0.480 268 S N 0.001 115.750 115.700 0.081 0.000 2.569 268 S HA 0.907 5.378 4.470 0.001 0.000 0.280 268 S C -1.405 173.287 174.600 0.153 0.000 1.111 268 S CA -0.644 57.638 58.200 0.136 0.000 0.887 268 S CB 1.872 65.214 63.200 0.237 0.000 1.095 268 S HN 0.906 nan 8.310 nan 0.000 0.476 269 V N 2.022 122.042 119.914 0.177 0.000 3.120 269 V HA 0.730 4.851 4.120 0.001 0.000 0.303 269 V C -2.193 174.022 176.094 0.203 0.000 1.238 269 V CA -0.626 61.790 62.300 0.193 0.000 1.008 269 V CB 1.934 33.829 31.823 0.120 0.000 1.064 269 V HN 0.827 nan 8.190 nan 0.000 0.434 270 F N 5.261 125.290 119.950 0.132 0.000 2.561 270 F HA 0.766 5.293 4.527 0.001 0.000 0.321 270 F C -2.122 173.757 175.800 0.131 0.000 1.065 270 F CA -1.981 56.100 58.000 0.134 0.000 0.934 270 F CB 2.554 41.586 39.000 0.054 0.000 1.215 270 F HN 0.350 nan 8.300 nan 0.000 0.471 271 P HA 0.034 nan 4.420 nan 0.000 0.277 271 P C -1.120 176.346 177.300 0.278 0.000 1.240 271 P CA -0.231 63.022 63.100 0.255 0.000 0.798 271 P CB 0.642 32.463 31.700 0.202 0.000 0.979 272 Y N 3.917 124.298 120.300 0.136 0.000 2.632 272 Y HA 0.099 4.649 4.550 0.001 0.000 0.329 272 Y C 0.253 176.227 175.900 0.123 0.000 1.174 272 Y CA 0.314 58.488 58.100 0.123 0.000 1.469 272 Y CB -0.512 38.017 38.460 0.115 0.000 1.242 272 Y HN 0.480 nan 8.280 nan 0.000 0.540 273 N N 2.404 120.924 118.700 -0.300 0.000 3.157 273 N HA 0.142 4.882 4.740 0.001 0.000 0.291 273 N C 0.575 175.889 175.510 -0.328 0.000 1.515 273 N CA -0.254 52.636 53.050 -0.267 0.000 0.807 273 N CB 0.066 38.547 38.487 -0.010 0.000 1.672 273 N HN 0.536 nan 8.380 nan 0.000 0.592 274 H N -0.885 118.058 119.070 -0.211 0.000 2.495 274 H HA 0.186 4.743 4.556 0.001 0.000 0.287 274 H C 0.604 175.904 175.328 -0.048 0.000 1.033 274 H CA 0.808 56.779 56.048 -0.128 0.000 1.307 274 H CB 0.012 29.730 29.762 -0.073 0.000 1.401 274 H HN 0.350 nan 8.280 nan 0.000 0.555 275 R N 0.486 120.594 120.500 -0.653 0.000 2.115 275 R HA 0.038 4.379 4.340 0.001 0.000 0.230 275 R C 2.473 178.712 176.300 -0.102 0.000 1.111 275 R CA 0.886 56.760 56.100 -0.377 0.000 0.976 275 R CB -0.445 29.648 30.300 -0.346 0.000 0.870 275 R HN 0.436 nan 8.270 nan 0.000 0.445 276 M N 0.336 119.913 119.600 -0.039 0.000 2.156 276 M HA -0.084 4.396 4.480 0.001 0.000 0.264 276 M C 2.323 178.775 176.300 0.253 0.000 1.067 276 M CA 1.405 56.789 55.300 0.139 0.000 1.131 276 M CB -0.286 32.473 32.600 0.265 0.000 1.368 276 M HN -0.006 nan 8.290 nan 0.000 0.416 277 K N 0.928 121.454 120.400 0.211 0.000 2.063 277 K HA -0.216 4.104 4.320 0.001 0.000 0.208 277 K C 2.063 178.767 176.600 0.174 0.000 1.048 277 K CA 1.515 57.956 56.287 0.257 0.000 0.928 277 K CB -0.032 32.565 32.500 0.162 0.000 0.713 277 K HN 0.154 nan 8.250 nan 0.000 0.442 278 K N -0.408 120.062 120.400 0.116 0.000 2.025 278 K HA -0.207 4.114 4.320 0.001 0.000 0.207 278 K C 2.193 178.865 176.600 0.120 0.000 1.049 278 K CA 1.587 57.929 56.287 0.092 0.000 0.933 278 K CB -0.292 32.239 32.500 0.051 0.000 0.714 278 K HN 0.210 nan 8.250 nan 0.000 0.438 279 Y N 1.531 121.856 120.300 0.042 0.000 2.181 279 Y HA -0.189 4.362 4.550 0.000 0.000 0.288 279 Y C 1.828 177.777 175.900 0.082 0.000 1.146 279 Y CA 1.413 59.553 58.100 0.066 0.000 1.164 279 Y CB -0.161 38.330 38.460 0.051 0.000 0.982 279 Y HN 0.010 nan 8.280 nan 0.000 0.515 280 L N -0.944 120.391 121.223 0.186 0.000 2.042 280 L HA -0.283 4.058 4.340 0.001 0.000 0.210 280 L C 2.534 179.416 176.870 0.021 0.000 1.076 280 L CA 1.707 56.606 54.840 0.099 0.000 0.749 280 L CB -0.703 41.458 42.059 0.170 0.000 0.893 280 L HN 0.141 nan 8.230 nan 0.000 0.432 281 S N -0.485 115.242 115.700 0.045 0.000 2.368 281 S HA -0.192 4.278 4.470 0.001 0.000 0.224 281 S C 1.917 176.511 174.600 -0.009 0.000 1.029 281 S CA 1.297 59.513 58.200 0.026 0.000 0.988 281 S CB -0.151 63.074 63.200 0.042 0.000 0.838 281 S HN 0.210 nan 8.310 nan 0.000 0.462 282 K N 2.041 122.419 120.400 -0.037 0.000 2.439 282 K HA -0.007 4.314 4.320 0.001 0.000 0.197 282 K C 1.126 177.716 176.600 -0.017 0.000 1.041 282 K CA 1.091 57.354 56.287 -0.040 0.000 0.970 282 K CB -0.347 32.108 32.500 -0.075 0.000 0.773 282 K HN 0.438 nan 8.250 nan 0.000 0.479 283 T N -3.189 111.285 114.554 -0.134 0.000 3.258 283 T HA 0.346 4.697 4.350 0.001 0.000 0.263 283 T C 0.907 175.559 174.700 -0.081 0.000 0.983 283 T CA -0.172 61.825 62.100 -0.173 0.000 0.907 283 T CB 0.123 68.747 68.868 -0.407 0.000 1.096 283 T HN 0.240 nan 8.240 nan 0.000 0.556 284 G N 2.187 110.989 108.800 0.002 0.000 2.153 284 G HA2 -0.288 3.672 3.960 0.001 0.000 0.252 284 G HA3 -0.288 3.672 3.960 0.001 0.000 0.252 284 G C 0.407 175.382 174.900 0.126 0.000 0.994 284 G CA -0.003 45.156 45.100 0.098 0.000 0.698 284 G HN 0.619 nan 8.290 nan 0.000 0.521 285 R N -0.566 119.955 120.500 0.036 0.000 2.776 285 R HA 0.542 4.882 4.340 0.001 0.000 0.391 285 R C 2.018 178.345 176.300 0.045 0.000 1.116 285 R CA 0.337 56.457 56.100 0.034 0.000 1.056 285 R CB 0.264 30.540 30.300 -0.039 0.000 1.369 285 R HN 0.346 nan 8.270 nan 0.000 0.590 286 A N 1.578 124.427 122.820 0.048 0.000 1.940 286 A HA -0.238 4.082 4.320 0.001 0.000 0.219 286 A C 1.700 179.318 177.584 0.057 0.000 1.176 286 A CA 1.993 54.064 52.037 0.056 0.000 0.631 286 A CB -0.176 18.849 19.000 0.042 0.000 0.814 286 A HN 0.472 nan 8.150 nan 0.000 0.446 287 D N 0.372 120.795 120.400 0.039 0.000 2.178 287 D HA -0.159 4.481 4.640 0.001 0.000 0.201 287 D C 1.732 178.049 176.300 0.029 0.000 0.980 287 D CA 1.292 55.310 54.000 0.031 0.000 0.842 287 D CB -0.655 40.151 40.800 0.011 0.000 0.948 287 D HN 0.539 nan 8.370 nan 0.000 0.472 288 I N 0.967 121.543 120.570 0.010 0.000 2.286 288 I HA -0.151 4.019 4.170 0.001 0.000 0.245 288 I C 2.700 178.856 176.117 0.065 0.000 1.104 288 I CA 0.942 62.231 61.300 -0.018 0.000 1.397 288 I CB -0.283 37.675 38.000 -0.071 0.000 1.072 288 I HN 0.016 nan 8.210 nan 0.000 0.417 289 A N 1.065 123.949 122.820 0.108 0.000 1.940 289 A HA -0.222 4.099 4.320 0.001 0.000 0.219 289 A C 2.044 179.754 177.584 0.211 0.000 1.176 289 A CA 1.909 54.062 52.037 0.193 0.000 0.631 289 A CB -0.631 18.500 19.000 0.218 0.000 0.814 289 A HN 0.401 nan 8.150 nan 0.000 0.446 290 N N -0.369 118.424 118.700 0.154 0.000 2.142 290 N HA -0.113 4.628 4.740 0.001 0.000 0.186 290 N C 1.591 177.208 175.510 0.178 0.000 1.023 290 N CA 1.448 54.586 53.050 0.148 0.000 0.852 290 N CB -0.522 38.025 38.487 0.100 0.000 0.998 290 N HN 0.426 nan 8.380 nan 0.000 0.424 291 L N 1.009 122.341 121.223 0.180 0.000 2.093 291 L HA 0.054 4.395 4.340 0.001 0.000 0.208 291 L C 2.011 179.136 176.870 0.424 0.000 1.085 291 L CA 1.363 56.374 54.840 0.284 0.000 0.755 291 L CB -0.773 41.404 42.059 0.197 0.000 0.904 291 L HN 0.105 nan 8.230 nan 0.000 0.435 292 A N -0.887 122.117 122.820 0.307 0.000 1.930 292 A HA -0.196 4.124 4.320 0.001 0.000 0.217 292 A C 1.942 179.647 177.584 0.200 0.000 1.175 292 A CA 1.703 53.797 52.037 0.096 0.000 0.627 292 A CB -0.755 17.983 19.000 -0.437 0.000 0.815 292 A HN 0.501 nan 8.150 nan 0.000 0.443 293 D N 0.024 120.620 120.400 0.327 0.000 2.149 293 D HA -0.138 4.502 4.640 0.001 0.000 0.198 293 D C 1.836 178.251 176.300 0.191 0.000 0.990 293 D CA 1.385 55.574 54.000 0.314 0.000 0.839 293 D CB -0.338 40.604 40.800 0.238 0.000 0.948 293 D HN 0.636 nan 8.370 nan 0.000 0.460 294 E N -1.005 119.302 120.200 0.179 0.000 2.274 294 E HA -0.077 4.273 4.350 0.001 0.000 0.194 294 E C 0.841 177.379 176.600 -0.103 0.000 0.996 294 E CA 0.420 56.843 56.400 0.037 0.000 0.840 294 E CB 0.025 29.740 29.700 0.025 0.000 0.772 294 E HN 0.321 nan 8.360 nan 0.000 0.491 295 F N 0.127 120.114 119.950 0.061 0.000 2.647 295 F HA 0.159 4.687 4.527 0.001 0.000 0.300 295 F C 1.699 177.496 175.800 -0.004 0.000 1.106 295 F CA -0.293 57.728 58.000 0.035 0.000 1.313 295 F CB 0.514 39.425 39.000 -0.149 0.000 1.007 295 F HN -0.203 nan 8.300 nan 0.000 0.536 296 K N 1.085 121.576 120.400 0.152 0.000 2.144 296 K HA -0.234 4.087 4.320 0.001 0.000 0.209 296 K C 1.368 178.003 176.600 0.059 0.000 1.047 296 K CA 2.094 58.482 56.287 0.169 0.000 0.927 296 K CB -0.329 32.279 32.500 0.180 0.000 0.716 296 K HN 0.114 nan 8.250 nan 0.000 0.454 297 D N -0.313 120.034 120.400 -0.087 0.000 2.149 297 D HA -0.159 4.481 4.640 0.001 0.000 0.198 297 D C 1.417 177.567 176.300 -0.249 0.000 0.990 297 D CA 1.119 54.983 54.000 -0.226 0.000 0.839 297 D CB -0.250 40.289 40.800 -0.436 0.000 0.948 297 D HN 0.497 nan 8.370 nan 0.000 0.460 298 H N -0.519 118.587 119.070 0.060 0.000 2.539 298 H HA 0.184 4.740 4.556 0.001 0.000 0.267 298 H C 1.379 176.725 175.328 0.030 0.000 0.982 298 H CA 0.266 56.343 56.048 0.049 0.000 1.146 298 H CB 0.645 30.444 29.762 0.062 0.000 1.382 298 H HN 0.169 nan 8.280 nan 0.000 0.577 299 L N 0.912 122.203 121.223 0.113 0.000 2.959 299 L HA 0.184 4.524 4.340 0.001 0.000 0.259 299 L C 0.172 177.138 176.870 0.160 0.000 1.185 299 L CA -0.188 54.727 54.840 0.124 0.000 0.998 299 L CB 0.811 42.930 42.059 0.098 0.000 1.337 299 L HN -0.050 nan 8.230 nan 0.000 0.555 300 V N -4.105 115.877 119.914 0.114 0.000 3.040 300 V HA 0.698 4.819 4.120 0.001 0.000 0.312 300 V C -2.735 173.399 176.094 0.066 0.000 1.115 300 V CA -2.363 59.999 62.300 0.104 0.000 0.998 300 V CB 1.816 33.692 31.823 0.089 0.000 1.042 300 V HN -0.156 nan 8.190 nan 0.000 0.433 301 P HA 0.235 nan 4.420 nan 0.000 0.272 301 P C -0.816 176.479 177.300 -0.009 0.000 1.223 301 P CA 0.083 63.192 63.100 0.015 0.000 0.784 301 P CB 0.485 32.192 31.700 0.012 0.000 0.923 302 D N 2.408 122.790 120.400 -0.030 0.000 2.399 302 D HA 0.143 4.783 4.640 0.001 0.000 0.241 302 D C -1.977 174.295 176.300 -0.047 0.000 1.133 302 D CA -0.954 53.027 54.000 -0.033 0.000 0.890 302 D CB -0.663 40.119 40.800 -0.030 0.000 1.201 302 D HN 0.207 nan 8.370 nan 0.000 0.432 303 P HA 0.124 nan 4.420 nan 0.000 0.261 303 P C 0.551 177.823 177.300 -0.046 0.000 1.183 303 P CA 0.380 63.462 63.100 -0.030 0.000 0.761 303 P CB 0.475 32.165 31.700 -0.016 0.000 0.785 304 G N 2.281 111.046 108.800 -0.058 0.000 2.221 304 G HA2 -0.263 3.697 3.960 0.001 0.000 0.265 304 G HA3 -0.263 3.697 3.960 0.001 0.000 0.265 304 G C 0.372 175.205 174.900 -0.112 0.000 1.041 304 G CA -0.173 44.887 45.100 -0.067 0.000 0.807 304 G HN 0.855 nan 8.290 nan 0.000 0.502 305 C N -0.587 118.595 119.300 -0.197 0.000 2.657 305 C HA 0.663 5.124 4.460 0.001 0.000 0.404 305 C C 0.891 175.641 174.990 -0.400 0.000 1.291 305 C CA -1.271 57.583 59.018 -0.273 0.000 2.218 305 C CB 0.607 28.149 27.740 -0.331 0.000 2.687 305 C HN 0.565 nan 8.230 nan 0.000 0.634 306 H N 2.106 120.952 119.070 -0.373 0.000 2.652 306 H HA 0.342 4.898 4.556 0.001 0.000 0.298 306 H C -1.149 173.967 175.328 -0.354 0.000 1.076 306 H CA -0.119 55.741 56.048 -0.313 0.000 1.360 306 H CB 0.292 29.972 29.762 -0.136 0.000 1.421 306 H HN 0.779 nan 8.280 nan 0.000 0.464 307 Y N 3.493 123.509 120.300 -0.474 0.000 2.299 307 Y HA 0.031 4.582 4.550 0.001 0.000 0.326 307 Y C 1.613 177.107 175.900 -0.676 0.000 1.164 307 Y CA -0.652 57.184 58.100 -0.440 0.000 1.234 307 Y CB 0.856 39.154 38.460 -0.271 0.000 1.219 307 Y HN 0.650 nan 8.280 nan 0.000 0.497 308 D N 0.769 121.045 120.400 -0.207 0.000 2.317 308 D HA -0.098 4.542 4.640 0.001 0.000 0.211 308 D C 0.249 176.506 176.300 -0.072 0.000 0.966 308 D CA 1.022 54.939 54.000 -0.138 0.000 0.876 308 D CB 0.592 41.381 40.800 -0.019 0.000 0.927 308 D HN 0.588 nan 8.370 nan 0.000 0.519 309 Q N 0.236 119.998 119.800 -0.064 0.000 2.386 309 Q HA 0.376 4.716 4.340 0.001 0.000 0.274 309 Q C -2.152 173.809 176.000 -0.066 0.000 1.011 309 Q CA -0.503 55.271 55.803 -0.049 0.000 0.867 309 Q CB 2.354 31.062 28.738 -0.050 0.000 1.409 309 Q HN -0.217 nan 8.270 nan 0.000 0.395 310 V N 4.600 124.485 119.914 -0.048 0.000 2.604 310 V HA 0.631 4.751 4.120 0.001 0.000 0.305 310 V C -0.570 175.479 176.094 -0.074 0.000 1.043 310 V CA -0.551 61.710 62.300 -0.064 0.000 0.888 310 V CB 1.910 33.743 31.823 0.018 0.000 0.995 310 V HN 0.761 nan 8.190 nan 0.000 0.429 311 I N 3.148 123.647 120.570 -0.119 0.000 2.608 311 I HA 0.532 4.703 4.170 0.001 0.000 0.295 311 I C -0.470 175.579 176.117 -0.113 0.000 1.049 311 I CA -0.451 60.789 61.300 -0.101 0.000 1.063 311 I CB 2.338 40.267 38.000 -0.117 0.000 1.248 311 I HN 0.661 nan 8.210 nan 0.000 0.424 312 E N 6.269 126.423 120.200 -0.077 0.000 2.210 312 E HA 0.635 4.986 4.350 0.001 0.000 0.266 312 E C -1.613 174.956 176.600 -0.053 0.000 0.883 312 E CA -0.528 55.825 56.400 -0.077 0.000 0.761 312 E CB 1.767 31.439 29.700 -0.047 0.000 1.156 312 E HN 0.455 nan 8.360 nan 0.000 0.412 313 I N 3.698 124.237 120.570 -0.051 0.000 2.498 313 I HA 0.256 4.426 4.170 0.001 0.000 0.290 313 I C -0.659 175.451 176.117 -0.010 0.000 1.032 313 I CA -1.093 60.194 61.300 -0.022 0.000 1.073 313 I CB 1.886 39.881 38.000 -0.009 0.000 1.251 313 I HN 0.452 nan 8.210 nan 0.000 0.426 314 N N 5.933 124.634 118.700 0.001 0.000 2.462 314 N HA 0.213 4.953 4.740 0.001 0.000 0.242 314 N C 0.435 175.957 175.510 0.019 0.000 1.010 314 N CA -0.368 52.688 53.050 0.009 0.000 0.939 314 N CB 1.136 39.629 38.487 0.011 0.000 1.127 314 N HN 0.470 nan 8.380 nan 0.000 0.509 315 L N 2.309 123.545 121.223 0.022 0.000 2.083 315 L HA -0.059 4.282 4.340 0.001 0.000 0.209 315 L C 1.977 178.867 176.870 0.032 0.000 1.083 315 L CA 1.454 56.312 54.840 0.030 0.000 0.752 315 L CB -0.911 41.167 42.059 0.031 0.000 0.899 315 L HN 0.555 nan 8.230 nan 0.000 0.433 316 S N -1.079 114.638 115.700 0.027 0.000 2.423 316 S HA -0.136 4.334 4.470 0.001 0.000 0.231 316 S C 1.720 176.339 174.600 0.031 0.000 1.014 316 S CA 0.838 59.054 58.200 0.027 0.000 0.965 316 S CB -0.048 63.165 63.200 0.022 0.000 0.785 316 S HN 0.387 nan 8.310 nan 0.000 0.495 317 E N 0.216 120.435 120.200 0.032 0.000 2.474 317 E HA 0.228 4.578 4.350 0.001 0.000 0.194 317 E C 0.034 176.664 176.600 0.051 0.000 1.041 317 E CA -0.199 56.222 56.400 0.036 0.000 0.874 317 E CB 0.112 29.831 29.700 0.030 0.000 0.914 317 E HN 0.224 nan 8.360 nan 0.000 0.498 318 L N 1.282 122.539 121.223 0.057 0.000 2.453 318 L HA 0.200 4.541 4.340 0.001 0.000 0.272 318 L C -0.350 176.582 176.870 0.102 0.000 1.182 318 L CA 0.246 55.137 54.840 0.085 0.000 0.858 318 L CB 0.490 42.589 42.059 0.067 0.000 1.120 318 L HN -0.279 nan 8.230 nan 0.000 0.474 319 K N 5.566 126.052 120.400 0.143 0.000 2.166 319 K HA 0.584 4.904 4.320 0.001 0.000 0.245 319 K C -2.510 174.175 176.600 0.141 0.000 0.967 319 K CA -2.272 54.074 56.287 0.097 0.000 0.863 319 K CB 1.265 33.780 32.500 0.025 0.000 1.107 319 K HN 0.296 nan 8.250 nan 0.000 0.436 320 P HA -0.059 nan 4.420 nan 0.000 0.260 320 P C -0.814 176.468 177.300 -0.029 0.000 1.172 320 P CA 0.643 63.779 63.100 0.060 0.000 0.760 320 P CB 0.299 31.993 31.700 -0.010 0.000 0.773 321 H N 2.071 121.155 119.070 0.023 0.000 2.670 321 H HA 0.642 5.198 4.556 0.001 0.000 0.361 321 H C -0.410 174.947 175.328 0.048 0.000 1.169 321 H CA -0.727 55.342 56.048 0.035 0.000 1.198 321 H CB 2.322 32.102 29.762 0.030 0.000 1.700 321 H HN 0.322 nan 8.280 nan 0.000 0.542 322 I N 2.395 123.063 120.570 0.164 0.000 2.586 322 I HA 0.194 4.365 4.170 0.001 0.000 0.288 322 I C -1.506 174.766 176.117 0.258 0.000 1.147 322 I CA -0.596 60.814 61.300 0.184 0.000 1.047 322 I CB 1.321 39.396 38.000 0.125 0.000 1.244 322 I HN 0.450 nan 8.210 nan 0.000 0.429 323 N N 4.767 123.582 118.700 0.191 0.000 2.417 323 N HA 0.948 5.688 4.740 0.001 0.000 0.300 323 N C -0.231 175.321 175.510 0.069 0.000 1.102 323 N CA 0.190 53.301 53.050 0.101 0.000 0.886 323 N CB 2.059 40.564 38.487 0.030 0.000 1.203 323 N HN 1.014 nan 8.380 nan 0.000 0.496 324 G N 0.753 109.539 108.800 -0.023 0.000 2.353 324 G HA2 -0.064 3.896 3.960 0.001 0.000 0.615 324 G HA3 -0.064 3.896 3.960 0.001 0.000 0.615 324 G C -2.479 172.141 174.900 -0.467 0.000 1.280 324 G CA -0.705 44.208 45.100 -0.312 0.000 1.000 324 G HN 0.400 nan 8.290 nan 0.000 0.516 325 P HA 0.284 nan 4.420 nan 0.000 0.251 325 P C 0.515 177.338 177.300 -0.796 0.000 1.223 325 P CA 0.772 63.153 63.100 -1.198 0.000 0.796 325 P CB 0.141 30.926 31.700 -1.525 0.000 1.068 326 F N -0.189 119.603 119.950 -0.262 0.000 2.838 326 F HA 0.226 4.753 4.527 0.001 0.000 0.329 326 F C 0.403 176.260 175.800 0.095 0.000 1.116 326 F CA 0.118 58.057 58.000 -0.101 0.000 1.155 326 F CB 0.494 39.436 39.000 -0.096 0.000 1.106 326 F HN -0.249 nan 8.300 nan 0.000 0.538 327 T N -1.015 113.633 114.554 0.156 0.000 2.912 327 T HA 0.290 4.641 4.350 0.001 0.000 0.299 327 T C -2.254 172.487 174.700 0.069 0.000 1.052 327 T CA -1.701 60.522 62.100 0.204 0.000 0.996 327 T CB 2.470 71.432 68.868 0.157 0.000 1.070 327 T HN -0.284 nan 8.240 nan 0.000 0.465 328 P HA 0.067 nan 4.420 nan 0.000 0.245 328 P C 0.268 177.580 177.300 0.019 0.000 1.212 328 P CA 0.585 63.687 63.100 0.003 0.000 0.774 328 P CB 0.094 31.779 31.700 -0.025 0.000 0.999 329 D N -1.344 119.080 120.400 0.040 0.000 2.402 329 D HA 0.014 4.654 4.640 0.001 0.000 0.216 329 D C 0.463 176.767 176.300 0.006 0.000 1.128 329 D CA -0.381 53.634 54.000 0.026 0.000 0.833 329 D CB -0.685 40.141 40.800 0.043 0.000 0.971 329 D HN 0.162 nan 8.370 nan 0.000 0.503 330 L N 1.559 122.776 121.223 -0.009 0.000 2.334 330 L HA 0.506 4.847 4.340 0.001 0.000 0.286 330 L C -0.437 176.290 176.870 -0.238 0.000 1.108 330 L CA -0.352 54.463 54.840 -0.042 0.000 0.875 330 L CB 0.241 42.330 42.059 0.050 0.000 1.246 330 L HN 0.037 nan 8.230 nan 0.000 0.439 331 A N 5.149 127.838 122.820 -0.217 0.000 2.301 331 A HA 0.628 4.948 4.320 0.001 0.000 0.312 331 A C -0.853 176.558 177.584 -0.288 0.000 1.182 331 A CA -0.439 51.491 52.037 -0.179 0.000 0.826 331 A CB 0.483 19.509 19.000 0.042 0.000 1.134 331 A HN 0.763 nan 8.150 nan 0.000 0.501 332 H N 1.244 120.437 119.070 0.206 0.000 2.768 332 H HA 0.410 4.966 4.556 0.001 0.000 0.371 332 H C -2.847 172.411 175.328 -0.117 0.000 1.151 332 H CA -1.976 54.129 56.048 0.095 0.000 1.165 332 H CB 1.579 31.416 29.762 0.124 0.000 1.722 332 H HN 0.375 nan 8.280 nan 0.000 0.543 333 P HA -0.023 nan 4.420 nan 0.000 0.271 333 P C 1.204 178.401 177.300 -0.171 0.000 1.218 333 P CA -0.197 62.664 63.100 -0.398 0.000 0.780 333 P CB 1.228 32.759 31.700 -0.282 0.000 0.901 334 V N 2.522 122.323 119.914 -0.190 0.000 2.392 334 V HA -0.283 3.837 4.120 0.001 0.000 0.249 334 V C 2.289 178.282 176.094 -0.168 0.000 1.059 334 V CA 2.655 64.864 62.300 -0.152 0.000 1.051 334 V CB -1.554 30.158 31.823 -0.185 0.000 0.658 334 V HN 0.680 nan 8.190 nan 0.000 0.455 335 A N -0.531 122.182 122.820 -0.179 0.000 2.076 335 A HA -0.222 4.098 4.320 0.001 0.000 0.220 335 A C 2.034 179.547 177.584 -0.119 0.000 1.160 335 A CA 1.949 53.886 52.037 -0.166 0.000 0.653 335 A CB -0.294 18.616 19.000 -0.150 0.000 0.801 335 A HN 0.681 nan 8.150 nan 0.000 0.455 336 E N -1.643 118.505 120.200 -0.086 0.000 2.511 336 E HA 0.124 4.474 4.350 0.001 0.000 0.209 336 E C 1.432 177.996 176.600 -0.060 0.000 0.986 336 E CA 0.184 56.550 56.400 -0.057 0.000 0.974 336 E CB 0.387 30.078 29.700 -0.016 0.000 1.030 336 E HN 0.256 nan 8.360 nan 0.000 0.490 337 V N 0.947 120.820 119.914 -0.068 0.000 2.490 337 V HA -0.175 3.946 4.120 0.001 0.000 0.250 337 V C 2.005 178.032 176.094 -0.111 0.000 1.061 337 V CA 2.360 64.593 62.300 -0.113 0.000 1.064 337 V CB -0.499 31.255 31.823 -0.114 0.000 0.670 337 V HN 0.430 nan 8.190 nan 0.000 0.461 338 G N -0.976 107.760 108.800 -0.107 0.000 2.442 338 G HA2 -0.235 3.725 3.960 0.001 0.000 0.219 338 G HA3 -0.235 3.725 3.960 0.001 0.000 0.219 338 G C 1.717 176.569 174.900 -0.081 0.000 1.141 338 G CA 1.260 46.306 45.100 -0.090 0.000 0.763 338 G HN 0.589 nan 8.290 nan 0.000 0.554 339 S N -0.372 115.276 115.700 -0.086 0.000 2.456 339 S HA 0.038 4.509 4.470 0.001 0.000 0.224 339 S C 2.416 176.941 174.600 -0.124 0.000 1.035 339 S CA 0.591 58.737 58.200 -0.089 0.000 0.940 339 S CB 0.189 63.346 63.200 -0.072 0.000 0.799 339 S HN 0.177 nan 8.310 nan 0.000 0.508 340 V N 2.522 122.350 119.914 -0.142 0.000 2.427 340 V HA -0.144 3.977 4.120 0.001 0.000 0.248 340 V C 2.719 178.553 176.094 -0.433 0.000 1.051 340 V CA 1.633 63.788 62.300 -0.241 0.000 1.048 340 V CB -1.277 30.425 31.823 -0.201 0.000 0.666 340 V HN 0.518 nan 8.190 nan 0.000 0.456 341 A N -0.079 122.613 122.820 -0.214 0.000 1.883 341 A HA -0.304 4.016 4.320 0.001 0.000 0.217 341 A C 2.273 179.735 177.584 -0.202 0.000 1.186 341 A CA 2.197 54.183 52.037 -0.085 0.000 0.624 341 A CB -0.567 18.546 19.000 0.188 0.000 0.822 341 A HN 0.613 nan 8.150 nan 0.000 0.444 342 E N -0.169 119.948 120.200 -0.139 0.000 2.058 342 E HA -0.263 4.087 4.350 0.001 0.000 0.194 342 E C 2.130 178.635 176.600 -0.157 0.000 0.997 342 E CA 1.724 58.056 56.400 -0.113 0.000 0.801 342 E CB -0.154 29.495 29.700 -0.086 0.000 0.746 342 E HN 0.631 nan 8.360 nan 0.000 0.450 343 K N 0.389 120.669 120.400 -0.199 0.000 2.057 343 K HA -0.219 4.101 4.320 0.001 0.000 0.207 343 K C 1.724 178.164 176.600 -0.266 0.000 1.049 343 K CA 1.793 57.961 56.287 -0.198 0.000 0.931 343 K CB -0.016 32.374 32.500 -0.183 0.000 0.714 343 K HN -0.014 nan 8.250 nan 0.000 0.440 344 E N -0.840 119.068 120.200 -0.487 0.000 2.478 344 E HA 0.077 4.428 4.350 0.001 0.000 0.194 344 E C 0.422 176.776 176.600 -0.410 0.000 1.045 344 E CA 0.699 56.743 56.400 -0.593 0.000 0.868 344 E CB 0.476 29.407 29.700 -1.281 0.000 0.885 344 E HN 0.610 nan 8.360 nan 0.000 0.505 345 G N 0.464 109.107 108.800 -0.262 0.000 2.160 345 G HA2 -0.210 3.751 3.960 0.001 0.000 0.244 345 G HA3 -0.210 3.751 3.960 0.001 0.000 0.244 345 G C -0.523 174.446 174.900 0.115 0.000 1.022 345 G CA -0.019 45.049 45.100 -0.054 0.000 0.741 345 G HN 0.057 nan 8.290 nan 0.000 0.508 346 W N -0.029 121.328 121.300 0.094 0.000 2.287 346 W HA 0.512 5.172 4.660 0.000 0.000 0.313 346 W C -1.981 174.535 176.519 -0.005 0.000 1.267 346 W CA -3.189 54.220 57.345 0.106 0.000 1.201 346 W CB -0.061 29.596 29.460 0.328 0.000 1.196 346 W HN 0.030 nan 8.180 nan 0.000 0.536 347 P HA -0.058 nan 4.420 nan 0.000 0.264 347 P C 0.921 178.266 177.300 0.076 0.000 1.193 347 P CA 0.119 63.248 63.100 0.049 0.000 0.763 347 P CB 0.789 32.479 31.700 -0.017 0.000 0.810 348 L N 1.968 123.211 121.223 0.034 0.000 2.307 348 L HA 0.049 4.390 4.340 0.001 0.000 0.211 348 L C 0.999 177.860 176.870 -0.015 0.000 1.099 348 L CA 1.399 56.240 54.840 0.003 0.000 0.816 348 L CB -0.982 41.071 42.059 -0.009 0.000 0.952 348 L HN 0.461 nan 8.230 nan 0.000 0.455 349 D N 0.605 121.003 120.400 -0.003 0.000 2.304 349 D HA 0.134 4.775 4.640 0.001 0.000 0.250 349 D C 0.037 176.340 176.300 0.005 0.000 1.107 349 D CA -0.272 53.723 54.000 -0.009 0.000 0.885 349 D CB 1.871 42.668 40.800 -0.005 0.000 1.192 349 D HN 0.015 nan 8.370 nan 0.000 0.436 350 I N 2.404 122.970 120.570 -0.006 0.000 2.342 350 I HA 0.119 4.289 4.170 0.001 0.000 0.291 350 I C 1.649 177.785 176.117 0.031 0.000 1.010 350 I CA -0.880 60.428 61.300 0.014 0.000 1.308 350 I CB 1.423 39.414 38.000 -0.015 0.000 1.400 350 I HN 0.162 nan 8.210 nan 0.000 0.488 351 R N 4.343 124.881 120.500 0.064 0.000 2.057 351 R HA 0.206 4.547 4.340 0.001 0.000 0.224 351 R C 0.014 176.377 176.300 0.105 0.000 1.136 351 R CA 0.966 57.112 56.100 0.077 0.000 0.968 351 R CB -0.073 30.280 30.300 0.088 0.000 0.863 351 R HN 0.428 nan 8.270 nan 0.000 0.433 352 V N -0.421 119.575 119.914 0.138 0.000 2.709 352 V HA 0.623 4.743 4.120 0.001 0.000 0.308 352 V C -0.117 176.044 176.094 0.112 0.000 1.062 352 V CA -1.153 61.246 62.300 0.165 0.000 0.901 352 V CB 1.994 33.991 31.823 0.289 0.000 1.003 352 V HN 0.325 nan 8.190 nan 0.000 0.425 353 G N 3.339 112.214 108.800 0.125 0.000 2.422 353 G HA2 0.700 4.660 3.960 0.001 0.000 0.317 353 G HA3 0.700 4.660 3.960 0.001 0.000 0.317 353 G C -1.358 173.615 174.900 0.122 0.000 1.210 353 G CA -0.436 44.734 45.100 0.117 0.000 0.930 353 G HN 0.505 nan 8.290 nan 0.000 0.468 354 L N 3.834 125.008 121.223 -0.083 0.000 2.342 354 L HA 0.491 4.832 4.340 0.001 0.000 0.276 354 L C 0.314 177.037 176.870 -0.245 0.000 0.997 354 L CA -0.681 54.020 54.840 -0.231 0.000 0.838 354 L CB 1.664 43.452 42.059 -0.451 0.000 1.224 354 L HN 0.604 nan 8.230 nan 0.000 0.416 355 I N -0.231 120.266 120.570 -0.122 0.000 2.498 355 I HA 1.054 5.224 4.170 0.001 0.000 0.301 355 I C 0.558 176.687 176.117 0.020 0.000 0.984 355 I CA -0.240 61.031 61.300 -0.047 0.000 1.204 355 I CB 1.689 39.690 38.000 0.002 0.000 1.362 355 I HN 0.672 nan 8.210 nan 0.000 0.471 356 G N 3.471 112.334 108.800 0.105 0.000 2.247 356 G HA2 0.358 4.319 3.960 0.001 0.000 0.229 356 G HA3 0.358 4.319 3.960 0.001 0.000 0.229 356 G C -0.361 174.624 174.900 0.140 0.000 1.345 356 G CA 0.260 45.423 45.100 0.106 0.000 1.100 356 G HN 2.276 nan 8.290 nan 0.000 0.473 357 S N -3.065 112.604 115.700 -0.052 0.000 3.859 357 S HA -0.119 4.351 4.470 0.001 0.000 0.678 357 S C 1.794 176.317 174.600 -0.128 0.000 1.658 357 S CA 1.161 59.220 58.200 -0.235 0.000 1.761 357 S CB -1.791 61.194 63.200 -0.359 0.000 0.350 357 S HN 2.791 nan 8.310 nan 0.000 1.312 358 C N -0.642 118.572 119.300 -0.144 0.000 2.422 358 C HA 0.134 4.595 4.460 0.001 0.000 0.286 358 C C 2.593 177.539 174.990 -0.073 0.000 1.412 358 C CA 1.242 60.221 59.018 -0.065 0.000 1.786 358 C CB -2.427 25.349 27.740 0.060 0.000 1.835 358 C HN 0.952 nan 8.230 nan 0.000 0.533 359 T N 0.440 114.929 114.554 -0.108 0.000 2.985 359 T HA -0.009 4.342 4.350 0.001 0.000 0.266 359 T C 0.592 175.267 174.700 -0.042 0.000 1.076 359 T CA 1.317 63.365 62.100 -0.087 0.000 1.135 359 T CB -0.416 68.395 68.868 -0.094 0.000 0.890 359 T HN 0.752 nan 8.240 nan 0.000 0.480 360 N N 0.525 119.215 118.700 -0.018 0.000 2.666 360 N HA 0.159 4.899 4.740 0.001 0.000 0.253 360 N C -0.177 175.337 175.510 0.007 0.000 1.621 360 N CA -0.142 52.907 53.050 -0.001 0.000 0.785 360 N CB 1.083 39.579 38.487 0.015 0.000 1.332 360 N HN 0.137 nan 8.380 nan 0.000 0.514 361 S N -1.748 113.952 115.700 -0.000 0.000 2.952 361 S HA 0.158 4.628 4.470 0.001 0.000 0.251 361 S C 0.506 175.127 174.600 0.036 0.000 1.021 361 S CA -0.592 57.612 58.200 0.007 0.000 1.067 361 S CB -0.078 63.114 63.200 -0.013 0.000 1.002 361 S HN 0.239 nan 8.310 nan 0.000 0.574 362 S N 0.651 116.382 115.700 0.052 0.000 2.634 362 S HA 0.382 4.852 4.470 0.001 0.000 0.261 362 S C 0.849 175.560 174.600 0.186 0.000 1.271 362 S CA -0.512 57.763 58.200 0.125 0.000 0.985 362 S CB 0.084 63.352 63.200 0.113 0.000 0.968 362 S HN 0.322 nan 8.310 nan 0.000 0.568 363 Y N 0.637 121.048 120.300 0.185 0.000 2.151 363 Y HA -0.206 4.344 4.550 0.001 0.000 0.284 363 Y C 2.570 178.552 175.900 0.136 0.000 1.166 363 Y CA 2.463 60.698 58.100 0.224 0.000 1.163 363 Y CB -0.319 38.330 38.460 0.314 0.000 0.974 363 Y HN 0.959 nan 8.280 nan 0.000 0.511 364 E N -0.400 119.900 120.200 0.167 0.000 2.106 364 E HA -0.213 4.137 4.350 0.001 0.000 0.192 364 E C 1.651 178.189 176.600 -0.104 0.000 0.984 364 E CA 1.390 57.794 56.400 0.007 0.000 0.806 364 E CB -0.138 29.610 29.700 0.081 0.000 0.750 364 E HN 0.548 nan 8.360 nan 0.000 0.458 365 D N 0.260 120.628 120.400 -0.052 0.000 2.117 365 D HA -0.168 4.472 4.640 0.001 0.000 0.197 365 D C 1.958 178.185 176.300 -0.121 0.000 0.987 365 D CA 1.003 54.964 54.000 -0.066 0.000 0.829 365 D CB -0.069 40.719 40.800 -0.021 0.000 0.961 365 D HN 0.296 nan 8.370 nan 0.000 0.460 366 M N 0.349 119.862 119.600 -0.144 0.000 2.175 366 M HA -0.009 4.472 4.480 0.001 0.000 0.264 366 M C 2.413 178.405 176.300 -0.512 0.000 1.063 366 M CA 0.935 56.117 55.300 -0.197 0.000 1.119 366 M CB -1.405 31.154 32.600 -0.069 0.000 1.377 366 M HN -0.019 nan 8.290 nan 0.000 0.415 367 G N 0.131 108.429 108.800 -0.837 0.000 2.418 367 G HA2 -0.198 3.762 3.960 0.001 0.000 0.217 367 G HA3 -0.198 3.762 3.960 0.001 0.000 0.217 367 G C 1.896 176.422 174.900 -0.624 0.000 1.158 367 G CA 0.417 44.737 45.100 -1.299 0.000 0.771 367 G HN 0.384 nan 8.290 nan 0.000 0.545 368 R N 0.376 120.660 120.500 -0.361 0.000 2.075 368 R HA -0.017 4.323 4.340 0.001 0.000 0.232 368 R C 3.039 179.232 176.300 -0.178 0.000 1.126 368 R CA 1.401 57.362 56.100 -0.233 0.000 0.963 368 R CB -0.331 29.874 30.300 -0.158 0.000 0.858 368 R HN 0.322 nan 8.270 nan 0.000 0.435 369 S N 0.941 116.563 115.700 -0.130 0.000 2.370 369 S HA -0.166 4.304 4.470 0.001 0.000 0.226 369 S C 2.089 176.666 174.600 -0.038 0.000 1.033 369 S CA 1.299 59.483 58.200 -0.026 0.000 1.011 369 S CB -0.210 63.016 63.200 0.043 0.000 0.852 369 S HN 0.472 nan 8.310 nan 0.000 0.457 370 A N 1.475 124.209 122.820 -0.143 0.000 1.972 370 A HA 0.153 4.473 4.320 0.001 0.000 0.219 370 A C 2.321 179.859 177.584 -0.077 0.000 1.169 370 A CA 1.559 53.535 52.037 -0.101 0.000 0.635 370 A CB -0.923 17.955 19.000 -0.203 0.000 0.810 370 A HN 0.522 nan 8.150 nan 0.000 0.446 371 A N -0.660 122.075 122.820 -0.140 0.000 1.969 371 A HA 0.075 4.395 4.320 0.001 0.000 0.218 371 A C 2.168 179.718 177.584 -0.057 0.000 1.169 371 A CA 1.639 53.614 52.037 -0.105 0.000 0.635 371 A CB -0.618 18.285 19.000 -0.162 0.000 0.810 371 A HN 0.344 nan 8.150 nan 0.000 0.445 372 V N -0.362 119.528 119.914 -0.039 0.000 2.323 372 V HA -0.156 3.964 4.120 0.001 0.000 0.244 372 V C 3.040 179.177 176.094 0.072 0.000 1.041 372 V CA 1.687 64.010 62.300 0.039 0.000 1.025 372 V CB -1.149 30.732 31.823 0.096 0.000 0.656 372 V HN 0.577 nan 8.190 nan 0.000 0.451 373 A N 1.569 124.420 122.820 0.051 0.000 1.908 373 A HA -0.262 4.058 4.320 0.001 0.000 0.218 373 A C 2.147 179.771 177.584 0.067 0.000 1.181 373 A CA 2.362 54.435 52.037 0.061 0.000 0.627 373 A CB -0.479 18.575 19.000 0.090 0.000 0.818 373 A HN 0.677 nan 8.150 nan 0.000 0.445 374 K N 0.547 120.979 120.400 0.054 0.000 2.147 374 K HA -0.137 4.184 4.320 0.001 0.000 0.205 374 K C 1.688 178.324 176.600 0.060 0.000 1.049 374 K CA 1.822 58.138 56.287 0.048 0.000 0.936 374 K CB -0.686 31.834 32.500 0.035 0.000 0.722 374 K HN 0.640 nan 8.250 nan 0.000 0.446 375 Q N 0.378 120.235 119.800 0.096 0.000 2.079 375 Q HA 0.020 4.360 4.340 0.001 0.000 0.200 375 Q C 2.287 178.423 176.000 0.226 0.000 0.974 375 Q CA 1.469 57.372 55.803 0.166 0.000 0.840 375 Q CB -0.324 28.547 28.738 0.223 0.000 0.898 375 Q HN 0.508 nan 8.270 nan 0.000 0.430 376 A N 1.108 124.058 122.820 0.216 0.000 1.873 376 A HA -0.143 4.177 4.320 0.001 0.000 0.215 376 A C 2.101 179.754 177.584 0.115 0.000 1.186 376 A CA 1.004 53.179 52.037 0.230 0.000 0.616 376 A CB -0.697 18.395 19.000 0.153 0.000 0.823 376 A HN 0.271 nan 8.150 nan 0.000 0.442 377 L N -0.697 120.566 121.223 0.067 0.000 2.042 377 L HA -0.230 4.110 4.340 0.001 0.000 0.210 377 L C 3.027 179.874 176.870 -0.039 0.000 1.076 377 L CA 1.139 55.992 54.840 0.021 0.000 0.749 377 L CB -0.562 41.511 42.059 0.024 0.000 0.893 377 L HN 0.454 nan 8.230 nan 0.000 0.432 378 A N -0.989 121.788 122.820 -0.072 0.000 2.125 378 A HA -0.215 4.106 4.320 0.001 0.000 0.219 378 A C 1.543 178.832 177.584 -0.493 0.000 1.156 378 A CA 1.436 53.340 52.037 -0.221 0.000 0.671 378 A CB -0.740 18.137 19.000 -0.205 0.000 0.794 378 A HN 0.523 nan 8.150 nan 0.000 0.459 379 H N -1.775 117.123 119.070 -0.287 0.000 2.549 379 H HA 0.388 4.944 4.556 0.000 0.000 0.279 379 H C 1.334 176.564 175.328 -0.162 0.000 1.018 379 H CA 0.381 56.211 56.048 -0.363 0.000 1.175 379 H CB 0.350 29.583 29.762 -0.881 0.000 1.485 379 H HN 0.533 nan 8.280 nan 0.000 0.543 380 G N 0.916 109.691 108.800 -0.041 0.000 2.182 380 G HA2 -0.255 3.705 3.960 0.001 0.000 0.248 380 G HA3 -0.255 3.705 3.960 0.001 0.000 0.248 380 G C -0.197 174.724 174.900 0.035 0.000 1.042 380 G CA 0.117 45.213 45.100 -0.006 0.000 0.775 380 G HN 0.279 nan 8.290 nan 0.000 0.501 381 L N -1.105 120.155 121.223 0.061 0.000 2.313 381 L HA 0.805 5.146 4.340 0.001 0.000 0.268 381 L C 0.549 177.446 176.870 0.046 0.000 1.010 381 L CA -1.072 53.810 54.840 0.071 0.000 0.814 381 L CB 1.786 43.923 42.059 0.129 0.000 1.304 381 L HN 0.152 nan 8.230 nan 0.000 0.441 382 K N -0.317 120.098 120.400 0.025 0.000 2.495 382 K HA 0.453 4.774 4.320 0.001 0.000 0.268 382 K C -1.408 175.178 176.600 -0.023 0.000 1.008 382 K CA -0.875 55.421 56.287 0.014 0.000 0.882 382 K CB 1.691 34.207 32.500 0.026 0.000 1.443 382 K HN 0.415 nan 8.250 nan 0.000 0.447 383 C N 2.427 121.702 119.300 -0.042 0.000 2.611 383 C HA 0.013 4.473 4.460 0.001 0.000 0.416 383 C C 2.025 176.984 174.990 -0.051 0.000 1.366 383 C CA 0.117 59.080 59.018 -0.092 0.000 1.761 383 C CB -0.368 27.317 27.740 -0.091 0.000 2.619 383 C HN 0.826 nan 8.230 nan 0.000 0.606 384 K N 1.448 121.801 120.400 -0.079 0.000 2.166 384 K HA 0.001 4.321 4.320 0.001 0.000 0.201 384 K C 0.895 177.479 176.600 -0.028 0.000 1.052 384 K CA 0.765 57.020 56.287 -0.052 0.000 0.969 384 K CB 0.133 32.587 32.500 -0.078 0.000 0.761 384 K HN 0.703 nan 8.250 nan 0.000 0.459 385 S N 1.153 116.831 115.700 -0.037 0.000 2.632 385 S HA 0.093 4.564 4.470 0.001 0.000 0.267 385 S C -0.116 174.522 174.600 0.064 0.000 1.276 385 S CA -0.536 57.670 58.200 0.011 0.000 0.998 385 S CB 1.489 64.689 63.200 0.001 0.000 0.953 385 S HN 0.261 nan 8.310 nan 0.000 0.547 386 Q N 0.276 120.140 119.800 0.107 0.000 2.421 386 Q HA 0.297 4.637 4.340 0.001 0.000 0.255 386 Q C -1.537 174.606 176.000 0.239 0.000 1.013 386 Q CA 0.145 56.042 55.803 0.157 0.000 0.895 386 Q CB 0.355 29.190 28.738 0.161 0.000 1.271 386 Q HN 0.524 nan 8.270 nan 0.000 0.460 387 F N 2.700 122.661 119.950 0.019 0.000 2.617 387 F HA 0.367 4.895 4.527 0.001 0.000 0.325 387 F C -1.128 174.661 175.800 -0.018 0.000 1.179 387 F CA -0.494 57.501 58.000 -0.008 0.000 0.965 387 F CB 1.542 40.539 39.000 -0.005 0.000 1.232 387 F HN 0.566 nan 8.300 nan 0.000 0.461 388 T N 3.797 118.211 114.554 -0.234 0.000 2.912 388 T HA 0.870 5.221 4.350 0.001 0.000 0.288 388 T C -0.816 173.609 174.700 -0.458 0.000 1.030 388 T CA -0.666 61.240 62.100 -0.322 0.000 1.020 388 T CB 1.994 70.722 68.868 -0.232 0.000 1.056 388 T HN 0.433 nan 8.240 nan 0.000 0.480 389 I N 1.621 121.972 120.570 -0.365 0.000 2.478 389 I HA 0.358 4.528 4.170 0.001 0.000 0.287 389 I C -0.278 175.741 176.117 -0.163 0.000 1.042 389 I CA -0.551 60.571 61.300 -0.298 0.000 1.067 389 I CB 2.573 40.370 38.000 -0.340 0.000 1.233 389 I HN 0.709 nan 8.210 nan 0.000 0.431 390 T N 6.959 121.450 114.554 -0.106 0.000 2.770 390 T HA 0.414 4.765 4.350 0.001 0.000 0.297 390 T C -2.554 172.116 174.700 -0.051 0.000 0.997 390 T CA -1.402 60.652 62.100 -0.077 0.000 0.949 390 T CB 1.043 69.865 68.868 -0.076 0.000 0.941 390 T HN 0.169 nan 8.240 nan 0.000 0.457 391 P HA 0.217 nan 4.420 nan 0.000 0.271 391 P C 1.102 178.391 177.300 -0.019 0.000 1.216 391 P CA -0.245 62.852 63.100 -0.004 0.000 0.776 391 P CB 0.603 32.314 31.700 0.017 0.000 0.881 392 G N 1.326 110.121 108.800 -0.008 0.000 2.484 392 G HA2 0.026 3.986 3.960 0.001 0.000 0.218 392 G HA3 0.026 3.986 3.960 0.001 0.000 0.218 392 G C 0.267 175.137 174.900 -0.051 0.000 1.130 392 G CA 0.664 45.742 45.100 -0.037 0.000 0.784 392 G HN 0.673 nan 8.290 nan 0.000 0.543 393 S N -1.931 113.752 115.700 -0.030 0.000 2.672 393 S HA 0.437 4.907 4.470 0.001 0.000 0.271 393 S C 0.360 174.957 174.600 -0.006 0.000 1.171 393 S CA -0.069 58.105 58.200 -0.043 0.000 0.817 393 S CB 1.753 64.902 63.200 -0.085 0.000 1.150 393 S HN -0.079 nan 8.310 nan 0.000 0.478 394 E N 0.742 120.949 120.200 0.010 0.000 2.106 394 E HA -0.125 4.225 4.350 0.001 0.000 0.192 394 E C 1.971 178.596 176.600 0.040 0.000 0.984 394 E CA 2.039 58.461 56.400 0.037 0.000 0.806 394 E CB -0.373 29.366 29.700 0.066 0.000 0.750 394 E HN 0.690 nan 8.360 nan 0.000 0.458 395 Q N -0.139 119.667 119.800 0.011 0.000 2.061 395 Q HA -0.161 4.179 4.340 0.001 0.000 0.204 395 Q C 2.192 178.231 176.000 0.065 0.000 0.984 395 Q CA 2.078 57.876 55.803 -0.009 0.000 0.846 395 Q CB -0.208 28.435 28.738 -0.159 0.000 0.902 395 Q HN 0.418 nan 8.270 nan 0.000 0.421 396 I N 0.122 120.732 120.570 0.066 0.000 2.202 396 I HA -0.269 3.902 4.170 0.001 0.000 0.242 396 I C 2.777 179.000 176.117 0.176 0.000 1.091 396 I CA 1.114 62.536 61.300 0.203 0.000 1.368 396 I CB -0.379 37.725 38.000 0.174 0.000 1.058 396 I HN 0.234 nan 8.210 nan 0.000 0.410 397 R N 1.299 121.860 120.500 0.101 0.000 2.096 397 R HA -0.237 4.104 4.340 0.001 0.000 0.240 397 R C 2.333 178.686 176.300 0.087 0.000 1.139 397 R CA 1.968 58.116 56.100 0.080 0.000 0.952 397 R CB -0.352 29.976 30.300 0.046 0.000 0.854 397 R HN 0.377 nan 8.270 nan 0.000 0.436 398 A N -0.047 122.824 122.820 0.086 0.000 1.877 398 A HA -0.137 4.183 4.320 0.001 0.000 0.216 398 A C 2.210 179.851 177.584 0.095 0.000 1.186 398 A CA 2.103 54.187 52.037 0.078 0.000 0.620 398 A CB -0.844 18.199 19.000 0.073 0.000 0.822 398 A HN 0.503 nan 8.150 nan 0.000 0.443 399 T N 0.896 115.543 114.554 0.155 0.000 2.812 399 T HA -0.087 4.263 4.350 0.001 0.000 0.264 399 T C 1.830 176.628 174.700 0.163 0.000 1.042 399 T CA 1.494 63.699 62.100 0.175 0.000 1.140 399 T CB -0.591 68.453 68.868 0.294 0.000 0.870 399 T HN 0.700 nan 8.240 nan 0.000 0.445 400 I N 0.142 120.831 120.570 0.199 0.000 2.614 400 I HA 0.024 4.195 4.170 0.001 0.000 0.258 400 I C 2.359 178.475 176.117 -0.001 0.000 1.189 400 I CA 1.394 62.749 61.300 0.091 0.000 1.462 400 I CB -0.354 37.772 38.000 0.210 0.000 1.092 400 I HN 0.043 nan 8.210 nan 0.000 0.442 401 E N 1.895 122.115 120.200 0.034 0.000 2.028 401 E HA -0.190 4.161 4.350 0.001 0.000 0.190 401 E C 2.424 179.013 176.600 -0.017 0.000 0.984 401 E CA 1.112 57.521 56.400 0.015 0.000 0.800 401 E CB -0.268 29.450 29.700 0.030 0.000 0.758 401 E HN 0.322 nan 8.360 nan 0.000 0.448 402 R N 0.466 120.959 120.500 -0.012 0.000 2.081 402 R HA -0.129 4.211 4.340 0.001 0.000 0.235 402 R C 0.541 176.792 176.300 -0.081 0.000 1.131 402 R CA 1.768 57.850 56.100 -0.030 0.000 0.960 402 R CB -0.298 29.997 30.300 -0.010 0.000 0.856 402 R HN 0.168 nan 8.270 nan 0.000 0.436 403 D N -1.328 118.979 120.400 -0.156 0.000 2.328 403 D HA 0.126 4.766 4.640 0.001 0.000 0.226 403 D C 0.912 177.000 176.300 -0.354 0.000 1.066 403 D CA 0.914 54.750 54.000 -0.273 0.000 0.861 403 D CB 0.569 41.153 40.800 -0.360 0.000 0.912 403 D HN 0.554 nan 8.370 nan 0.000 0.521 404 G N 0.207 108.874 108.800 -0.221 0.000 2.175 404 G HA2 -0.357 3.604 3.960 0.001 0.000 0.244 404 G HA3 -0.357 3.604 3.960 0.001 0.000 0.244 404 G C 0.832 175.740 174.900 0.014 0.000 0.982 404 G CA 0.108 45.152 45.100 -0.094 0.000 0.641 404 G HN 0.256 nan 8.290 nan 0.000 0.527 405 Y N 0.414 120.706 120.300 -0.013 0.000 2.286 405 Y HA 0.361 4.911 4.550 0.000 0.000 0.293 405 Y C 3.078 178.970 175.900 -0.013 0.000 1.124 405 Y CA 1.166 59.247 58.100 -0.032 0.000 1.178 405 Y CB -1.139 37.270 38.460 -0.085 0.000 1.010 405 Y HN 0.398 nan 8.280 nan 0.000 0.536 406 A N -0.151 122.754 122.820 0.141 0.000 1.933 406 A HA -0.257 4.064 4.320 0.001 0.000 0.218 406 A C 2.185 179.805 177.584 0.061 0.000 1.175 406 A CA 1.922 54.007 52.037 0.079 0.000 0.628 406 A CB -0.657 18.373 19.000 0.051 0.000 0.814 406 A HN 0.361 nan 8.150 nan 0.000 0.444 407 Q N -0.116 119.718 119.800 0.057 0.000 2.124 407 Q HA -0.087 4.254 4.340 0.001 0.000 0.202 407 Q C 1.925 177.962 176.000 0.062 0.000 0.977 407 Q CA 1.883 57.715 55.803 0.048 0.000 0.850 407 Q CB -0.639 28.120 28.738 0.035 0.000 0.901 407 Q HN 0.375 nan 8.270 nan 0.000 0.429 408 V N 0.272 120.235 119.914 0.082 0.000 2.343 408 V HA -0.264 3.857 4.120 0.001 0.000 0.247 408 V C 2.238 178.394 176.094 0.104 0.000 1.051 408 V CA 1.723 64.075 62.300 0.087 0.000 1.036 408 V CB -0.564 31.319 31.823 0.100 0.000 0.654 408 V HN 0.346 nan 8.190 nan 0.000 0.451 409 L N -0.859 120.431 121.223 0.112 0.000 2.109 409 L HA -0.118 4.223 4.340 0.001 0.000 0.207 409 L C 2.762 179.703 176.870 0.117 0.000 1.086 409 L CA 1.442 56.370 54.840 0.146 0.000 0.760 409 L CB -0.535 41.567 42.059 0.072 0.000 0.910 409 L HN 0.198 nan 8.230 nan 0.000 0.437 410 R N -0.004 120.536 120.500 0.067 0.000 2.081 410 R HA -0.152 4.188 4.340 0.001 0.000 0.235 410 R C 1.866 178.210 176.300 0.074 0.000 1.131 410 R CA 1.536 57.669 56.100 0.055 0.000 0.960 410 R CB -0.281 30.041 30.300 0.037 0.000 0.856 410 R HN 0.336 nan 8.270 nan 0.000 0.436 411 D N -0.031 120.413 120.400 0.072 0.000 2.219 411 D HA -0.107 4.533 4.640 0.001 0.000 0.205 411 D C 1.783 178.129 176.300 0.077 0.000 0.970 411 D CA 1.160 55.198 54.000 0.064 0.000 0.851 411 D CB 0.025 40.855 40.800 0.051 0.000 0.943 411 D HN 0.177 nan 8.370 nan 0.000 0.488 412 V N -2.647 117.332 119.914 0.108 0.000 3.380 412 V HA 0.328 4.449 4.120 0.001 0.000 0.268 412 V C 1.539 177.709 176.094 0.127 0.000 1.168 412 V CA 0.813 63.175 62.300 0.103 0.000 1.156 412 V CB -0.396 31.484 31.823 0.095 0.000 0.785 412 V HN 0.237 nan 8.190 nan 0.000 0.487 413 G N -0.969 107.924 108.800 0.156 0.000 2.151 413 G HA2 0.011 3.971 3.960 0.001 0.000 0.140 413 G HA3 0.011 3.971 3.960 0.001 0.000 0.140 413 G C 0.315 175.342 174.900 0.211 0.000 1.020 413 G CA -0.367 44.825 45.100 0.153 0.000 0.688 413 G HN 1.159 nan 8.290 nan 0.000 0.500 414 G N -0.468 108.468 108.800 0.227 0.000 2.451 414 G HA2 0.672 4.632 3.960 0.001 0.000 0.303 414 G HA3 0.672 4.632 3.960 0.001 0.000 0.303 414 G C -0.523 174.352 174.900 -0.040 0.000 1.166 414 G CA -0.588 44.539 45.100 0.045 0.000 0.884 414 G HN 0.871 nan 8.290 nan 0.000 0.514 415 I N 1.354 121.865 120.570 -0.098 0.000 2.378 415 I HA 0.416 4.586 4.170 0.001 0.000 0.291 415 I C -0.234 175.812 176.117 -0.118 0.000 0.992 415 I CA -0.686 60.575 61.300 -0.066 0.000 1.154 415 I CB 1.883 39.872 38.000 -0.018 0.000 1.315 415 I HN 0.206 nan 8.210 nan 0.000 0.448 416 V N 8.293 128.157 119.914 -0.084 0.000 2.432 416 V HA 0.302 4.422 4.120 0.001 0.000 0.271 416 V C 0.434 176.490 176.094 -0.062 0.000 1.046 416 V CA -0.454 61.795 62.300 -0.085 0.000 0.945 416 V CB 0.696 32.488 31.823 -0.051 0.000 0.992 416 V HN 0.561 nan 8.190 nan 0.000 0.471 417 L N 3.671 124.847 121.223 -0.077 0.000 2.416 417 L HA 0.689 5.029 4.340 0.001 0.000 0.262 417 L C 0.962 177.804 176.870 -0.046 0.000 1.093 417 L CA -0.634 54.169 54.840 -0.062 0.000 0.801 417 L CB 0.952 42.955 42.059 -0.093 0.000 1.191 417 L HN 0.717 nan 8.230 nan 0.000 0.459 418 A N 0.951 123.752 122.820 -0.032 0.000 2.536 418 A HA 0.027 4.347 4.320 0.001 0.000 0.234 418 A C 0.076 177.637 177.584 -0.039 0.000 1.076 418 A CA -0.261 51.762 52.037 -0.024 0.000 0.769 418 A CB -0.191 18.803 19.000 -0.010 0.000 1.020 418 A HN 0.779 nan 8.150 nan 0.000 0.508 419 N N 1.006 119.687 118.700 -0.032 0.000 2.819 419 N HA 0.441 5.182 4.740 0.001 0.000 0.284 419 N C -0.277 175.197 175.510 -0.060 0.000 1.196 419 N CA 0.959 53.984 53.050 -0.042 0.000 1.114 419 N CB 0.044 38.516 38.487 -0.025 0.000 1.437 419 N HN 0.832 nan 8.380 nan 0.000 0.518 420 A N -0.454 122.315 122.820 -0.085 0.000 2.610 420 A HA 0.355 4.676 4.320 0.001 0.000 0.291 420 A C 0.826 178.305 177.584 -0.175 0.000 1.086 420 A CA -0.730 51.240 52.037 -0.110 0.000 0.677 420 A CB 0.221 19.180 19.000 -0.068 0.000 1.278 420 A HN 0.423 nan 8.150 nan 0.000 0.414 421 C N 0.192 119.337 119.300 -0.258 0.000 2.393 421 C HA 0.297 4.757 4.460 0.001 0.000 0.276 421 C C 2.418 177.234 174.990 -0.291 0.000 1.215 421 C CA 1.656 60.462 59.018 -0.355 0.000 1.743 421 C CB -1.674 25.735 27.740 -0.551 0.000 2.044 421 C HN 2.294 nan 8.230 nan 0.000 0.464 422 G N 0.929 109.611 108.800 -0.195 0.000 2.591 422 G HA2 -0.301 3.660 3.960 0.001 0.000 0.298 422 G HA3 -0.301 3.660 3.960 0.001 0.000 0.298 422 G C -1.355 173.470 174.900 -0.125 0.000 1.195 422 G CA 0.535 45.555 45.100 -0.132 0.000 0.989 422 G HN 0.287 nan 8.290 nan 0.000 0.551 423 P HA -0.031 nan 4.420 nan 0.000 0.220 423 P C 2.131 179.406 177.300 -0.042 0.000 1.144 423 P CA 1.761 64.784 63.100 -0.128 0.000 0.800 423 P CB -0.189 31.149 31.700 -0.604 0.000 0.772 424 C N -0.733 118.371 119.300 -0.327 0.000 2.425 424 C HA -0.098 4.362 4.460 0.001 0.000 0.277 424 C C 1.732 176.613 174.990 -0.181 0.000 1.280 424 C CA 0.741 59.467 59.018 -0.486 0.000 1.744 424 C CB -1.637 25.526 27.740 -0.961 0.000 1.989 424 C HN 0.124 nan 8.230 nan 0.000 0.491 425 I N 0.087 120.592 120.570 -0.108 0.000 3.856 425 I HA 0.429 4.600 4.170 0.001 0.000 0.333 425 I C 1.369 177.534 176.117 0.080 0.000 1.525 425 I CA 0.766 62.072 61.300 0.010 0.000 1.173 425 I CB -0.775 37.263 38.000 0.062 0.000 1.175 425 I HN 0.288 nan 8.210 nan 0.000 0.424 426 G N 0.580 109.448 108.800 0.114 0.000 2.136 426 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 426 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 426 G C 0.283 175.291 174.900 0.179 0.000 0.989 426 G CA -0.345 44.866 45.100 0.184 0.000 0.682 426 G HN 0.381 nan 8.290 nan 0.000 0.522 427 Q N -0.795 119.088 119.800 0.139 0.000 2.835 427 Q HA 0.396 4.736 4.340 0.001 0.000 0.235 427 Q C -0.757 175.368 176.000 0.209 0.000 1.313 427 Q CA -0.248 55.627 55.803 0.120 0.000 1.053 427 Q CB 0.410 29.179 28.738 0.052 0.000 1.443 427 Q HN 0.504 nan 8.270 nan 0.000 0.576 428 W N 2.121 123.424 121.300 0.006 0.000 3.405 428 W HA 0.205 4.865 4.660 0.001 0.000 0.329 428 W C -1.527 174.999 176.519 0.011 0.000 1.142 428 W CA -1.456 55.897 57.345 0.014 0.000 1.235 428 W CB 1.236 30.714 29.460 0.030 0.000 1.341 428 W HN 0.163 nan 8.180 nan 0.000 0.481 429 D N 4.533 125.059 120.400 0.209 0.000 2.522 429 D HA 0.177 4.818 4.640 0.001 0.000 0.218 429 D C -0.261 175.919 176.300 -0.199 0.000 1.149 429 D CA -0.214 53.778 54.000 -0.013 0.000 0.981 429 D CB 0.185 41.009 40.800 0.041 0.000 1.041 429 D HN 0.305 nan 8.370 nan 0.000 0.518 430 R N 2.134 122.312 120.500 -0.537 0.000 2.221 430 R HA 0.322 4.662 4.340 0.001 0.000 0.327 430 R C 0.302 176.388 176.300 -0.356 0.000 1.033 430 R CA -0.065 55.591 56.100 -0.740 0.000 0.887 430 R CB 0.533 29.987 30.300 -1.410 0.000 1.057 430 R HN 0.105 nan 8.270 nan 0.000 0.455 431 K N 2.658 122.929 120.400 -0.216 0.000 2.477 431 K HA 0.018 4.338 4.320 0.001 0.000 0.208 431 K C 0.020 176.571 176.600 -0.082 0.000 1.117 431 K CA 0.252 56.465 56.287 -0.123 0.000 1.039 431 K CB 0.868 33.325 32.500 -0.072 0.000 0.937 431 K HN 0.769 nan 8.250 nan 0.000 0.570 432 D N 1.331 121.682 120.400 -0.082 0.000 2.348 432 D HA -0.072 4.568 4.640 0.001 0.000 0.216 432 D C 0.672 176.949 176.300 -0.038 0.000 0.970 432 D CA 0.387 54.365 54.000 -0.037 0.000 0.889 432 D CB -0.136 40.662 40.800 -0.004 0.000 0.912 432 D HN 0.232 nan 8.370 nan 0.000 0.524 433 I N -2.170 118.363 120.570 -0.063 0.000 2.740 433 I HA 0.428 4.599 4.170 0.001 0.000 0.303 433 I C -0.178 175.915 176.117 -0.040 0.000 1.044 433 I CA -1.578 59.699 61.300 -0.039 0.000 1.064 433 I CB 1.893 39.873 38.000 -0.033 0.000 1.249 433 I HN -0.260 nan 8.210 nan 0.000 0.433 434 K N 2.021 122.410 120.400 -0.018 0.000 2.102 434 K HA 0.482 4.802 4.320 0.001 0.000 0.244 434 K C -0.279 176.315 176.600 -0.011 0.000 1.021 434 K CA -0.816 55.462 56.287 -0.015 0.000 0.913 434 K CB 0.642 33.141 32.500 -0.003 0.000 1.062 434 K HN 0.486 nan 8.250 nan 0.000 0.485 435 K N -0.087 120.309 120.400 -0.007 0.000 2.295 435 K HA 0.220 4.540 4.320 0.001 0.000 0.270 435 K C 0.702 177.314 176.600 0.021 0.000 1.011 435 K CA 1.271 57.560 56.287 0.004 0.000 0.953 435 K CB 0.386 32.890 32.500 0.005 0.000 0.956 435 K HN 0.848 nan 8.250 nan 0.000 0.477 436 G N 1.857 110.679 108.800 0.037 0.000 2.162 436 G HA2 -0.309 3.652 3.960 0.001 0.000 0.260 436 G HA3 -0.309 3.652 3.960 0.001 0.000 0.260 436 G C -0.055 174.881 174.900 0.059 0.000 0.976 436 G CA 0.541 45.672 45.100 0.052 0.000 0.655 436 G HN 0.635 nan 8.290 nan 0.000 0.533 437 E N 0.628 120.858 120.200 0.050 0.000 2.259 437 E HA 0.368 4.718 4.350 0.001 0.000 0.281 437 E C 0.490 177.139 176.600 0.080 0.000 1.037 437 E CA -0.631 55.800 56.400 0.051 0.000 0.854 437 E CB 0.337 30.055 29.700 0.030 0.000 1.051 437 E HN 0.267 nan 8.360 nan 0.000 0.409 438 K N 4.476 124.927 120.400 0.084 0.000 2.379 438 K HA 0.048 4.369 4.320 0.001 0.000 0.284 438 K C -0.574 176.058 176.600 0.053 0.000 1.044 438 K CA 0.010 56.355 56.287 0.098 0.000 0.974 438 K CB 0.246 32.787 32.500 0.069 0.000 0.962 438 K HN 0.616 nan 8.250 nan 0.000 0.474 439 N N 1.469 120.215 118.700 0.077 0.000 2.961 439 N HA 0.166 4.906 4.740 0.001 0.000 0.245 439 N C -1.672 173.907 175.510 0.114 0.000 1.404 439 N CA -0.724 52.365 53.050 0.065 0.000 0.880 439 N CB 1.794 40.323 38.487 0.071 0.000 1.461 439 N HN 0.221 nan 8.380 nan 0.000 0.510 440 T N 1.193 115.820 114.554 0.122 0.000 2.812 440 T HA 0.589 4.940 4.350 0.001 0.000 0.282 440 T C -0.056 174.745 174.700 0.167 0.000 0.990 440 T CA -0.677 61.542 62.100 0.198 0.000 0.960 440 T CB 0.382 69.376 68.868 0.210 0.000 0.948 440 T HN 0.507 nan 8.240 nan 0.000 0.438 441 I N 1.172 121.853 120.570 0.185 0.000 2.646 441 I HA 0.906 5.076 4.170 0.001 0.000 0.299 441 I C -0.541 175.661 176.117 0.143 0.000 1.036 441 I CA -1.408 59.981 61.300 0.148 0.000 1.074 441 I CB 2.002 40.103 38.000 0.167 0.000 1.258 441 I HN 0.385 nan 8.210 nan 0.000 0.430 442 V N 1.801 121.759 119.914 0.073 0.000 2.540 442 V HA 0.858 4.978 4.120 0.001 0.000 0.302 442 V C 0.019 176.063 176.094 -0.085 0.000 1.035 442 V CA 0.028 62.356 62.300 0.047 0.000 0.873 442 V CB 1.068 32.910 31.823 0.032 0.000 0.992 442 V HN 1.031 nan 8.190 nan 0.000 0.428 443 T N 0.585 115.036 114.554 -0.172 0.000 2.930 443 T HA 0.601 4.951 4.350 0.001 0.000 0.290 443 T C 0.424 174.953 174.700 -0.285 0.000 1.052 443 T CA 0.024 61.859 62.100 -0.441 0.000 1.017 443 T CB 1.754 70.082 68.868 -0.899 0.000 1.137 443 T HN 1.531 nan 8.240 nan 0.000 0.511 444 S N 0.679 116.209 115.700 -0.284 0.000 2.526 444 S HA 0.330 4.801 4.470 0.001 0.000 0.247 444 S C -0.235 174.417 174.600 0.086 0.000 1.076 444 S CA -0.733 57.433 58.200 -0.058 0.000 1.105 444 S CB -0.942 62.256 63.200 -0.005 0.000 0.793 444 S HN 0.610 nan 8.310 nan 0.000 0.458 445 Y N 2.984 123.239 120.300 -0.074 0.000 2.803 445 Y HA 0.434 4.984 4.550 0.001 0.000 0.427 445 Y C 1.700 177.526 175.900 -0.124 0.000 1.339 445 Y CA -1.094 56.936 58.100 -0.117 0.000 1.702 445 Y CB -0.278 38.106 38.460 -0.126 0.000 1.659 445 Y HN 0.511 nan 8.280 nan 0.000 0.721 446 N N -1.151 117.565 118.700 0.028 0.000 2.765 446 N HA 0.162 4.902 4.740 0.001 0.000 0.256 446 N C -0.434 175.017 175.510 -0.098 0.000 0.985 446 N CA -0.256 52.765 53.050 -0.049 0.000 0.980 446 N CB 0.361 38.775 38.487 -0.123 0.000 1.701 446 N HN 0.182 nan 8.380 nan 0.000 0.683 447 R N 0.484 120.875 120.500 -0.183 0.000 2.549 447 R HA 0.436 4.776 4.340 0.001 0.000 0.267 447 R C -0.612 175.482 176.300 -0.343 0.000 1.045 447 R CA -0.267 55.557 56.100 -0.461 0.000 1.115 447 R CB 0.423 30.253 30.300 -0.784 0.000 1.121 447 R HN 0.499 nan 8.270 nan 0.000 0.543 448 N N 0.424 118.876 118.700 -0.414 0.000 2.453 448 N HA 0.044 4.784 4.740 0.001 0.000 0.267 448 N C -1.092 174.380 175.510 -0.064 0.000 1.482 448 N CA -0.297 52.625 53.050 -0.214 0.000 0.841 448 N CB 0.010 38.343 38.487 -0.257 0.000 1.408 448 N HN 0.178 nan 8.380 nan 0.000 0.490 449 F N 1.693 121.644 119.950 0.001 0.000 2.545 449 F HA 0.236 4.764 4.527 0.001 0.000 0.348 449 F C 1.481 177.330 175.800 0.082 0.000 1.163 449 F CA -0.485 57.557 58.000 0.070 0.000 1.331 449 F CB -0.087 38.963 39.000 0.082 0.000 1.138 449 F HN -0.134 nan 8.300 nan 0.000 0.602 450 T N 2.034 116.820 114.554 0.387 0.000 2.800 450 T HA 0.277 4.628 4.350 0.001 0.000 0.283 450 T C 1.141 175.928 174.700 0.146 0.000 0.999 450 T CA 1.022 63.307 62.100 0.309 0.000 1.176 450 T CB -0.348 68.616 68.868 0.159 0.000 0.973 450 T HN 1.080 nan 8.240 nan 0.000 0.519 451 G N 3.085 111.980 108.800 0.158 0.000 2.233 451 G HA2 -0.373 3.588 3.960 0.001 0.000 0.270 451 G HA3 -0.373 3.588 3.960 0.001 0.000 0.270 451 G C 0.975 175.945 174.900 0.117 0.000 1.011 451 G CA 0.821 45.991 45.100 0.117 0.000 0.762 451 G HN 0.780 nan 8.290 nan 0.000 0.511 452 R N -0.211 120.367 120.500 0.130 0.000 2.119 452 R HA 0.021 4.362 4.340 0.001 0.000 0.222 452 R C 2.207 178.597 176.300 0.150 0.000 1.088 452 R CA 1.628 57.809 56.100 0.136 0.000 0.984 452 R CB -0.213 30.166 30.300 0.132 0.000 0.884 452 R HN 0.575 nan 8.270 nan 0.000 0.447 453 N N -0.209 118.599 118.700 0.180 0.000 2.405 453 N HA -0.065 4.676 4.740 0.001 0.000 0.175 453 N C -0.258 175.471 175.510 0.365 0.000 1.051 453 N CA 1.009 54.233 53.050 0.290 0.000 0.899 453 N CB 0.555 39.256 38.487 0.357 0.000 1.000 453 N HN 0.309 nan 8.380 nan 0.000 0.451 454 D N -1.429 119.091 120.400 0.199 0.000 2.640 454 D HA 0.250 4.890 4.640 0.001 0.000 0.282 454 D C 0.396 176.715 176.300 0.031 0.000 1.558 454 D CA -0.060 53.977 54.000 0.061 0.000 0.820 454 D CB -0.462 40.266 40.800 -0.121 0.000 1.243 454 D HN 0.007 nan 8.370 nan 0.000 0.456 455 A N 0.327 123.196 122.820 0.081 0.000 2.869 455 A HA -0.324 3.996 4.320 0.001 0.000 0.272 455 A C 0.408 178.031 177.584 0.065 0.000 1.332 455 A CA 1.248 53.333 52.037 0.080 0.000 0.939 455 A CB -2.546 16.498 19.000 0.073 0.000 1.018 455 A HN 0.511 nan 8.150 nan 0.000 0.696 456 N N -0.180 118.556 118.700 0.061 0.000 2.462 456 N HA 0.434 5.175 4.740 0.001 0.000 0.242 456 N C -0.909 174.669 175.510 0.113 0.000 1.010 456 N CA -1.967 51.124 53.050 0.068 0.000 0.939 456 N CB 1.058 39.572 38.487 0.047 0.000 1.127 456 N HN 0.146 nan 8.380 nan 0.000 0.509 457 P HA -0.132 nan 4.420 nan 0.000 0.220 457 P C 0.173 177.606 177.300 0.221 0.000 1.144 457 P CA 1.109 64.298 63.100 0.148 0.000 0.800 457 P CB 0.517 32.263 31.700 0.076 0.000 0.772 458 E N -0.532 119.797 120.200 0.216 0.000 2.419 458 E HA 0.088 4.438 4.350 0.001 0.000 0.190 458 E C -0.030 176.829 176.600 0.432 0.000 1.040 458 E CA 0.119 56.714 56.400 0.325 0.000 0.900 458 E CB -0.077 29.764 29.700 0.236 0.000 1.054 458 E HN 0.144 nan 8.360 nan 0.000 0.462 459 T N 1.100 115.835 114.554 0.301 0.000 2.794 459 T HA 0.151 4.501 4.350 0.001 0.000 0.296 459 T C -0.409 174.335 174.700 0.073 0.000 0.949 459 T CA -0.191 62.041 62.100 0.219 0.000 1.101 459 T CB 0.247 69.183 68.868 0.114 0.000 0.905 459 T HN 0.046 nan 8.240 nan 0.000 0.516 460 H N 1.855 120.852 119.070 -0.121 0.000 2.690 460 H HA 0.556 5.112 4.556 0.001 0.000 0.289 460 H C 0.063 175.112 175.328 -0.464 0.000 1.089 460 H CA -0.516 55.261 56.048 -0.451 0.000 1.299 460 H CB 0.381 30.066 29.762 -0.128 0.000 1.405 460 H HN 0.700 nan 8.280 nan 0.000 0.463 461 A N 4.201 126.638 122.820 -0.639 0.000 2.288 461 A HA 0.588 4.908 4.320 0.001 0.000 0.320 461 A C -1.018 176.209 177.584 -0.596 0.000 1.217 461 A CA -0.577 51.230 52.037 -0.384 0.000 0.840 461 A CB 0.167 19.024 19.000 -0.237 0.000 1.179 461 A HN 0.490 nan 8.150 nan 0.000 0.504 462 F N 1.979 121.831 119.950 -0.163 0.000 2.458 462 F HA 0.499 5.027 4.527 0.001 0.000 0.336 462 F C 0.450 176.191 175.800 -0.098 0.000 1.114 462 F CA -0.698 57.228 58.000 -0.123 0.000 0.987 462 F CB 2.187 41.139 39.000 -0.080 0.000 1.130 462 F HN 0.477 nan 8.300 nan 0.000 0.458 463 V N 0.164 120.111 119.914 0.054 0.000 2.472 463 V HA 0.906 5.026 4.120 0.001 0.000 0.290 463 V C -0.333 175.796 176.094 0.059 0.000 1.037 463 V CA -0.108 62.204 62.300 0.020 0.000 0.908 463 V CB 1.212 33.031 31.823 -0.007 0.000 0.985 463 V HN 0.884 nan 8.190 nan 0.000 0.454 464 T N 2.190 116.766 114.554 0.037 0.000 2.626 464 T HA 0.549 4.899 4.350 0.001 0.000 0.299 464 T C -0.091 174.632 174.700 0.039 0.000 1.181 464 T CA 0.214 62.346 62.100 0.053 0.000 1.053 464 T CB 1.549 70.450 68.868 0.055 0.000 1.566 464 T HN 1.524 nan 8.240 nan 0.000 0.486 465 S N 1.635 117.367 115.700 0.054 0.000 2.601 465 S HA 0.428 4.898 4.470 0.001 0.000 0.271 465 S C -1.704 172.929 174.600 0.055 0.000 1.305 465 S CA -0.923 57.309 58.200 0.053 0.000 1.022 465 S CB 1.086 64.331 63.200 0.075 0.000 0.940 465 S HN 0.624 nan 8.310 nan 0.000 0.525 466 P HA -0.196 nan 4.420 nan 0.000 0.216 466 P C 1.344 178.698 177.300 0.090 0.000 1.150 466 P CA 1.401 64.535 63.100 0.057 0.000 0.837 466 P CB -0.060 31.660 31.700 0.032 0.000 0.786 467 E N -0.281 119.979 120.200 0.099 0.000 2.208 467 E HA -0.106 4.244 4.350 0.001 0.000 0.193 467 E C 2.000 178.752 176.600 0.253 0.000 0.988 467 E CA 0.871 57.367 56.400 0.160 0.000 0.828 467 E CB -0.873 28.910 29.700 0.137 0.000 0.763 467 E HN 0.207 nan 8.360 nan 0.000 0.478 468 I N 1.491 122.172 120.570 0.186 0.000 2.406 468 I HA -0.133 4.038 4.170 0.001 0.000 0.249 468 I C 2.588 178.730 176.117 0.043 0.000 1.122 468 I CA 0.424 61.782 61.300 0.096 0.000 1.431 468 I CB -0.777 37.248 38.000 0.042 0.000 1.087 468 I HN -0.036 nan 8.210 nan 0.000 0.424 469 V N 1.108 121.050 119.914 0.046 0.000 2.287 469 V HA -0.303 3.817 4.120 0.001 0.000 0.248 469 V C 2.578 178.656 176.094 -0.027 0.000 1.053 469 V CA 2.428 64.743 62.300 0.025 0.000 1.027 469 V CB -1.178 30.683 31.823 0.063 0.000 0.646 469 V HN 0.424 nan 8.190 nan 0.000 0.447 470 T N 0.400 114.953 114.554 -0.003 0.000 2.684 470 T HA -0.196 4.154 4.350 0.001 0.000 0.267 470 T C 2.047 176.641 174.700 -0.176 0.000 1.036 470 T CA 1.707 63.695 62.100 -0.187 0.000 1.148 470 T CB -0.483 68.385 68.868 -0.001 0.000 0.863 470 T HN 0.587 nan 8.240 nan 0.000 0.436 471 A N 1.254 124.069 122.820 -0.008 0.000 1.902 471 A HA 0.058 4.379 4.320 0.001 0.000 0.217 471 A C 2.304 179.853 177.584 -0.057 0.000 1.181 471 A CA 1.124 53.176 52.037 0.025 0.000 0.623 471 A CB -0.801 18.257 19.000 0.096 0.000 0.818 471 A HN 0.482 nan 8.150 nan 0.000 0.443 472 L N -0.960 120.236 121.223 -0.045 0.000 2.217 472 L HA -0.111 4.229 4.340 0.001 0.000 0.211 472 L C 2.944 179.723 176.870 -0.151 0.000 1.107 472 L CA 0.781 55.581 54.840 -0.067 0.000 0.783 472 L CB -0.480 41.552 42.059 -0.045 0.000 0.919 472 L HN 0.450 nan 8.230 nan 0.000 0.442 473 A N 0.263 122.961 122.820 -0.203 0.000 1.968 473 A HA -0.083 4.237 4.320 0.001 0.000 0.217 473 A C 2.188 179.609 177.584 -0.272 0.000 1.169 473 A CA 1.016 52.903 52.037 -0.250 0.000 0.638 473 A CB -0.390 18.340 19.000 -0.449 0.000 0.812 473 A HN 0.314 nan 8.150 nan 0.000 0.446 474 I N -0.444 119.945 120.570 -0.303 0.000 2.252 474 I HA -0.220 3.951 4.170 0.001 0.000 0.245 474 I C 2.833 178.767 176.117 -0.304 0.000 1.102 474 I CA 1.073 62.217 61.300 -0.260 0.000 1.385 474 I CB -0.139 37.732 38.000 -0.215 0.000 1.064 474 I HN 0.348 nan 8.210 nan 0.000 0.414 475 A N -0.020 122.535 122.820 -0.442 0.000 1.975 475 A HA 0.181 4.502 4.320 0.001 0.000 0.215 475 A C 2.023 179.429 177.584 -0.296 0.000 1.170 475 A CA 1.058 52.764 52.037 -0.552 0.000 0.656 475 A CB -0.650 17.733 19.000 -1.029 0.000 0.821 475 A HN 0.533 nan 8.150 nan 0.000 0.449 476 G N -1.865 106.808 108.800 -0.210 0.000 2.148 476 G HA2 -0.177 3.784 3.960 0.001 0.000 0.254 476 G HA3 -0.177 3.784 3.960 0.001 0.000 0.254 476 G C 0.369 175.214 174.900 -0.091 0.000 0.981 476 G CA 1.006 46.032 45.100 -0.123 0.000 0.670 476 G HN 1.396 nan 8.290 nan 0.000 0.528 477 T N -1.076 113.419 114.554 -0.097 0.000 2.933 477 T HA 0.560 4.910 4.350 0.001 0.000 0.305 477 T C 1.391 176.065 174.700 -0.044 0.000 1.092 477 T CA -0.286 61.778 62.100 -0.059 0.000 1.008 477 T CB 1.167 70.008 68.868 -0.045 0.000 1.102 477 T HN 0.200 nan 8.240 nan 0.000 0.469 478 L N 2.688 123.867 121.223 -0.073 0.000 2.191 478 L HA 0.084 4.424 4.340 0.001 0.000 0.212 478 L C 1.785 178.612 176.870 -0.071 0.000 1.103 478 L CA 1.066 55.836 54.840 -0.117 0.000 0.769 478 L CB -0.141 41.799 42.059 -0.199 0.000 0.908 478 L HN 0.602 nan 8.230 nan 0.000 0.438 479 K N 0.352 120.733 120.400 -0.032 0.000 3.322 479 K HA 0.045 4.365 4.320 0.001 0.000 0.291 479 K C -0.671 175.962 176.600 0.056 0.000 1.131 479 K CA -0.005 56.273 56.287 -0.016 0.000 1.185 479 K CB -0.358 32.134 32.500 -0.013 0.000 1.338 479 K HN -0.034 nan 8.250 nan 0.000 0.380 480 F N 1.116 120.978 119.950 -0.147 0.000 2.557 480 F HA 0.304 4.832 4.527 0.000 0.000 0.316 480 F C -1.103 174.574 175.800 -0.205 0.000 1.141 480 F CA -1.518 56.383 58.000 -0.166 0.000 0.922 480 F CB 1.327 40.224 39.000 -0.170 0.000 1.194 480 F HN -0.089 nan 8.300 nan 0.000 0.443 481 N N 7.663 125.852 118.700 -0.852 0.000 2.476 481 N HA 0.451 5.191 4.740 0.001 0.000 0.257 481 N C -2.367 172.432 175.510 -1.185 0.000 0.970 481 N CA -2.679 49.907 53.050 -0.774 0.000 0.938 481 N CB 2.161 40.356 38.487 -0.485 0.000 1.144 481 N HN 0.238 nan 8.380 nan 0.000 0.500 482 P HA -0.105 nan 4.420 nan 0.000 0.218 482 P C 0.566 177.330 177.300 -0.894 0.000 1.148 482 P CA 1.237 63.698 63.100 -1.064 0.000 0.822 482 P CB 0.466 31.361 31.700 -1.343 0.000 0.784 483 E N -1.081 118.619 120.200 -0.832 0.000 2.107 483 E HA -0.100 4.250 4.350 0.001 0.000 0.191 483 E C 1.696 178.083 176.600 -0.355 0.000 0.982 483 E CA 1.908 58.011 56.400 -0.495 0.000 0.809 483 E CB -0.346 29.133 29.700 -0.368 0.000 0.756 483 E HN 0.422 nan 8.360 nan 0.000 0.459 484 T N -1.477 112.829 114.554 -0.413 0.000 3.038 484 T HA 0.033 4.383 4.350 0.001 0.000 0.244 484 T C 0.631 175.133 174.700 -0.330 0.000 1.016 484 T CA -0.219 61.702 62.100 -0.298 0.000 1.098 484 T CB 0.133 68.867 68.868 -0.223 0.000 0.954 484 T HN -0.165 nan 8.240 nan 0.000 0.469 485 D N 0.911 121.026 120.400 -0.474 0.000 2.348 485 D HA 0.503 5.143 4.640 0.001 0.000 0.249 485 D C -1.014 175.070 176.300 -0.361 0.000 1.110 485 D CA -0.644 53.165 54.000 -0.318 0.000 0.967 485 D CB 0.611 41.192 40.800 -0.366 0.000 1.139 485 D HN 0.187 nan 8.370 nan 0.000 0.466 486 F N 0.407 120.333 119.950 -0.041 0.000 2.421 486 F HA 0.273 4.801 4.527 0.000 0.000 0.337 486 F C 0.150 175.894 175.800 -0.093 0.000 1.105 486 F CA -0.843 57.105 58.000 -0.087 0.000 1.049 486 F CB 0.896 39.852 39.000 -0.074 0.000 1.139 486 F HN -0.079 nan 8.300 nan 0.000 0.479 487 L N 1.645 122.714 121.223 -0.257 0.000 2.358 487 L HA 0.553 4.893 4.340 0.001 0.000 0.268 487 L C 0.034 176.856 176.870 -0.082 0.000 1.032 487 L CA -0.530 54.121 54.840 -0.314 0.000 0.805 487 L CB 1.765 43.422 42.059 -0.670 0.000 1.253 487 L HN 0.491 nan 8.230 nan 0.000 0.452 488 T N 1.074 115.679 114.554 0.085 0.000 2.772 488 T HA 0.578 4.929 4.350 0.001 0.000 0.288 488 T C 0.409 175.288 174.700 0.299 0.000 0.994 488 T CA -0.560 61.658 62.100 0.197 0.000 0.951 488 T CB 1.279 70.207 68.868 0.100 0.000 0.933 488 T HN 0.757 nan 8.240 nan 0.000 0.447 489 G N 1.422 110.449 108.800 0.378 0.000 2.653 489 G HA2 0.205 4.165 3.960 0.001 0.000 0.265 489 G HA3 0.205 4.165 3.960 0.001 0.000 0.265 489 G C 1.022 176.008 174.900 0.143 0.000 1.237 489 G CA -0.463 44.787 45.100 0.249 0.000 0.946 489 G HN 0.734 nan 8.290 nan 0.000 0.522 490 K N -0.368 120.087 120.400 0.091 0.000 2.057 490 K HA -0.143 4.178 4.320 0.001 0.000 0.207 490 K C 1.959 178.586 176.600 0.044 0.000 1.049 490 K CA 1.921 58.239 56.287 0.053 0.000 0.931 490 K CB -0.095 32.420 32.500 0.025 0.000 0.714 490 K HN 0.656 nan 8.250 nan 0.000 0.440 491 D N -1.374 119.053 120.400 0.045 0.000 2.392 491 D HA -0.074 4.567 4.640 0.001 0.000 0.228 491 D C 1.101 177.433 176.300 0.052 0.000 1.003 491 D CA 1.151 55.174 54.000 0.037 0.000 0.917 491 D CB 0.187 41.003 40.800 0.028 0.000 0.890 491 D HN 0.506 nan 8.370 nan 0.000 0.532 492 G N 0.543 109.385 108.800 0.070 0.000 2.195 492 G HA2 -0.280 3.680 3.960 0.001 0.000 0.246 492 G HA3 -0.280 3.680 3.960 0.001 0.000 0.246 492 G C 0.205 175.158 174.900 0.088 0.000 0.984 492 G CA 0.149 45.288 45.100 0.066 0.000 0.633 492 G HN 0.443 nan 8.290 nan 0.000 0.525 493 K N 0.927 121.401 120.400 0.123 0.000 2.143 493 K HA 0.476 4.797 4.320 0.001 0.000 0.272 493 K C 0.184 176.927 176.600 0.237 0.000 1.001 493 K CA -0.739 55.638 56.287 0.150 0.000 0.915 493 K CB 0.786 33.380 32.500 0.156 0.000 1.047 493 K HN -0.059 nan 8.250 nan 0.000 0.458 494 K N 2.971 123.491 120.400 0.201 0.000 2.298 494 K HA 0.253 4.574 4.320 0.001 0.000 0.280 494 K C -0.205 176.675 176.600 0.466 0.000 1.032 494 K CA -0.028 56.422 56.287 0.272 0.000 0.958 494 K CB 0.199 32.727 32.500 0.047 0.000 0.978 494 K HN 0.502 nan 8.250 nan 0.000 0.472 495 F N -1.271 118.842 119.950 0.271 0.000 2.662 495 F HA 0.578 5.105 4.527 0.000 0.000 0.312 495 F C -0.832 174.922 175.800 -0.077 0.000 1.113 495 F CA -1.232 56.819 58.000 0.086 0.000 0.951 495 F CB 1.501 40.300 39.000 -0.335 0.000 1.344 495 F HN 0.162 nan 8.300 nan 0.000 0.462 496 K N 1.983 122.246 120.400 -0.229 0.000 2.270 496 K HA 0.515 4.835 4.320 0.001 0.000 0.255 496 K C -1.432 175.103 176.600 -0.108 0.000 0.936 496 K CA -1.078 54.925 56.287 -0.473 0.000 0.809 496 K CB 1.862 34.009 32.500 -0.588 0.000 1.131 496 K HN 0.607 nan 8.250 nan 0.000 0.427 497 L N 3.634 124.805 121.223 -0.086 0.000 2.562 497 L HA 0.001 4.341 4.340 0.001 0.000 0.271 497 L C 0.817 177.840 176.870 0.255 0.000 1.167 497 L CA 0.763 55.711 54.840 0.179 0.000 0.917 497 L CB -0.236 42.006 42.059 0.306 0.000 1.187 497 L HN 0.598 nan 8.230 nan 0.000 0.482 498 E N 3.613 123.905 120.200 0.152 0.000 2.373 498 E HA 0.302 4.653 4.350 0.001 0.000 0.267 498 E C -0.411 176.097 176.600 -0.154 0.000 1.032 498 E CA -0.624 55.804 56.400 0.045 0.000 0.889 498 E CB 1.078 30.790 29.700 0.019 0.000 0.984 498 E HN 0.657 nan 8.360 nan 0.000 0.425 499 A N 5.672 128.278 122.820 -0.356 0.000 2.540 499 A HA 0.208 4.528 4.320 0.001 0.000 0.239 499 A C -2.020 175.131 177.584 -0.723 0.000 1.061 499 A CA -0.958 50.451 52.037 -1.046 0.000 0.758 499 A CB -0.202 18.372 19.000 -0.711 0.000 0.991 499 A HN 0.552 nan 8.150 nan 0.000 0.502 500 P HA 0.270 nan 4.420 nan 0.000 0.275 500 P C -1.068 176.044 177.300 -0.312 0.000 1.227 500 P CA 0.048 62.870 63.100 -0.462 0.000 0.781 500 P CB 1.137 32.574 31.700 -0.438 0.000 0.906 501 D N 1.169 121.443 120.400 -0.210 0.000 2.780 501 D HA 0.656 5.296 4.640 0.001 0.000 0.242 501 D C -1.553 174.674 176.300 -0.121 0.000 1.135 501 D CA -0.665 53.248 54.000 -0.144 0.000 0.859 501 D CB 1.756 42.494 40.800 -0.103 0.000 1.530 501 D HN 0.479 nan 8.370 nan 0.000 0.493 502 A N 2.557 125.319 122.820 -0.096 0.000 2.610 502 A HA 0.519 4.839 4.320 0.001 0.000 0.291 502 A C -1.419 176.160 177.584 -0.009 0.000 1.086 502 A CA -0.902 51.087 52.037 -0.079 0.000 0.677 502 A CB 1.167 20.056 19.000 -0.185 0.000 1.278 502 A HN 0.517 nan 8.150 nan 0.000 0.414 503 D N 1.055 121.499 120.400 0.072 0.000 2.372 503 D HA 0.220 4.861 4.640 0.001 0.000 0.243 503 D C 1.319 177.723 176.300 0.172 0.000 1.121 503 D CA 0.340 54.416 54.000 0.125 0.000 0.898 503 D CB 1.087 41.999 40.800 0.187 0.000 1.202 503 D HN 0.723 nan 8.370 nan 0.000 0.428 504 E N 1.137 121.415 120.200 0.130 0.000 2.158 504 E HA -0.034 4.316 4.350 0.001 0.000 0.191 504 E C 0.203 176.947 176.600 0.240 0.000 0.982 504 E CA 0.633 57.122 56.400 0.148 0.000 0.823 504 E CB 0.297 30.041 29.700 0.074 0.000 0.766 504 E HN 0.320 nan 8.360 nan 0.000 0.468 505 L N 0.924 122.218 121.223 0.119 0.000 2.359 505 L HA 0.465 4.806 4.340 0.001 0.000 0.256 505 L C -2.519 174.087 176.870 -0.440 0.000 1.026 505 L CA -3.087 51.639 54.840 -0.189 0.000 0.828 505 L CB 2.468 44.429 42.059 -0.163 0.000 1.406 505 L HN -0.106 nan 8.230 nan 0.000 0.413 506 P HA 0.141 nan 4.420 nan 0.000 0.271 506 P C -0.191 176.885 177.300 -0.374 0.000 1.216 506 P CA -0.133 62.513 63.100 -0.756 0.000 0.771 506 P CB 1.058 32.135 31.700 -1.038 0.000 0.864 507 R N 1.962 122.358 120.500 -0.173 0.000 2.081 507 R HA -0.026 4.314 4.340 0.001 0.000 0.235 507 R C 1.353 177.575 176.300 -0.130 0.000 1.131 507 R CA 1.390 57.423 56.100 -0.111 0.000 0.960 507 R CB -0.365 29.905 30.300 -0.050 0.000 0.856 507 R HN 0.612 nan 8.270 nan 0.000 0.436 508 A N 1.034 123.769 122.820 -0.141 0.000 2.250 508 A HA 0.172 4.492 4.320 0.001 0.000 0.283 508 A C -0.057 177.417 177.584 -0.184 0.000 1.206 508 A CA -0.535 51.426 52.037 -0.126 0.000 0.840 508 A CB 0.255 19.197 19.000 -0.095 0.000 1.220 508 A HN 0.023 nan 8.150 nan 0.000 0.505 509 E N -0.870 119.254 120.200 -0.128 0.000 2.397 509 E HA 0.316 4.667 4.350 0.001 0.000 0.254 509 E C -0.876 175.648 176.600 -0.126 0.000 1.231 509 E CA -0.116 56.211 56.400 -0.121 0.000 0.954 509 E CB 0.040 29.718 29.700 -0.036 0.000 1.024 509 E HN 0.375 nan 8.360 nan 0.000 0.481 510 F N 1.000 120.871 119.950 -0.131 0.000 2.471 510 F HA 0.007 4.534 4.527 0.001 0.000 0.353 510 F C 1.282 177.042 175.800 -0.068 0.000 1.113 510 F CA 0.285 58.210 58.000 -0.125 0.000 1.262 510 F CB 0.467 39.393 39.000 -0.124 0.000 1.146 510 F HN 0.090 nan 8.300 nan 0.000 0.578 511 D N 5.279 125.785 120.400 0.176 0.000 2.295 511 D HA 0.129 4.769 4.640 0.001 0.000 0.248 511 D C -1.627 174.735 176.300 0.104 0.000 1.154 511 D CA -2.066 51.996 54.000 0.104 0.000 0.857 511 D CB 1.622 42.466 40.800 0.074 0.000 1.117 511 D HN 0.184 nan 8.370 nan 0.000 0.468 512 P HA 0.033 nan 4.420 nan 0.000 0.226 512 P C 0.825 178.164 177.300 0.064 0.000 1.153 512 P CA 0.672 63.808 63.100 0.059 0.000 0.777 512 P CB 0.312 32.050 31.700 0.063 0.000 0.794 513 G N 0.802 109.639 108.800 0.061 0.000 2.593 513 G HA2 -0.204 3.756 3.960 0.001 0.000 0.237 513 G HA3 -0.204 3.756 3.960 0.001 0.000 0.237 513 G C -0.695 174.239 174.900 0.056 0.000 1.312 513 G CA 0.054 45.188 45.100 0.057 0.000 0.896 513 G HN 0.592 nan 8.290 nan 0.000 0.574 514 Q N 0.849 120.681 119.800 0.053 0.000 2.306 514 Q HA 0.498 4.838 4.340 0.001 0.000 0.241 514 Q C 0.498 176.535 176.000 0.061 0.000 0.948 514 Q CA -0.073 55.759 55.803 0.048 0.000 0.886 514 Q CB 0.691 29.451 28.738 0.036 0.000 1.227 514 Q HN 0.848 nan 8.270 nan 0.000 0.457 515 D N 1.256 121.686 120.400 0.049 0.000 2.531 515 D HA -0.063 4.577 4.640 0.001 0.000 0.239 515 D C -0.195 176.123 176.300 0.030 0.000 1.144 515 D CA 0.616 54.643 54.000 0.045 0.000 0.869 515 D CB 0.681 41.497 40.800 0.027 0.000 1.160 515 D HN 0.826 nan 8.370 nan 0.000 0.484 516 T N -0.692 113.873 114.554 0.018 0.000 3.186 516 T HA 0.017 4.368 4.350 0.001 0.000 0.292 516 T C 0.113 174.713 174.700 -0.166 0.000 0.915 516 T CA -0.527 61.570 62.100 -0.004 0.000 0.902 516 T CB -0.551 68.389 68.868 0.120 0.000 1.192 516 T HN 0.449 nan 8.240 nan 0.000 0.563 517 Y N 2.716 122.688 120.300 -0.546 0.000 2.310 517 Y HA 0.621 5.172 4.550 0.001 0.000 0.326 517 Y C -0.047 175.579 175.900 -0.456 0.000 1.151 517 Y CA -1.047 56.468 58.100 -0.975 0.000 1.195 517 Y CB 1.190 38.734 38.460 -1.526 0.000 1.210 517 Y HN 0.151 nan 8.280 nan 0.000 0.483 518 Q N 5.532 124.643 119.800 -1.149 0.000 2.347 518 Q HA 0.199 4.540 4.340 0.001 0.000 0.265 518 Q C -1.406 174.008 176.000 -0.976 0.000 1.024 518 Q CA -0.632 54.751 55.803 -0.700 0.000 0.731 518 Q CB 0.548 29.124 28.738 -0.269 0.000 1.245 518 Q HN 0.857 nan 8.270 nan 0.000 0.472 519 H N 4.704 123.334 119.070 -0.732 0.000 2.732 519 H HA 0.214 4.770 4.556 0.001 0.000 0.351 519 H C -2.008 173.198 175.328 -0.204 0.000 1.090 519 H CA -1.280 54.557 56.048 -0.351 0.000 1.431 519 H CB 1.101 30.885 29.762 0.037 0.000 1.447 519 H HN 0.544 nan 8.280 nan 0.000 0.582 520 P HA 0.039 nan 4.420 nan 0.000 0.268 520 P C -2.692 174.493 177.300 -0.191 0.000 1.205 520 P CA -1.257 61.648 63.100 -0.326 0.000 0.771 520 P CB -0.028 31.486 31.700 -0.309 0.000 0.858 521 P HA 0.043 nan 4.420 nan 0.000 0.265 521 P C -0.083 177.179 177.300 -0.064 0.000 1.222 521 P CA 0.315 63.373 63.100 -0.070 0.000 0.767 521 P CB 0.319 31.968 31.700 -0.083 0.000 0.801 522 K N 4.380 124.766 120.400 -0.023 0.000 2.847 522 K HA 0.173 4.493 4.320 0.001 0.000 0.213 522 K C 0.396 176.981 176.600 -0.025 0.000 1.174 522 K CA -0.088 56.182 56.287 -0.028 0.000 1.095 522 K CB 0.757 33.255 32.500 -0.004 0.000 1.581 522 K HN 0.622 nan 8.250 nan 0.000 0.514 523 D N -2.396 117.984 120.400 -0.034 0.000 3.840 523 D HA -0.016 4.625 4.640 0.001 0.000 0.136 523 D C 0.903 177.176 176.300 -0.045 0.000 1.644 523 D CA -0.435 53.545 54.000 -0.033 0.000 1.224 523 D CB -0.185 40.600 40.800 -0.025 0.000 2.376 523 D HN -0.098 nan 8.370 nan 0.000 0.385 524 S N 0.940 116.610 115.700 -0.049 0.000 2.380 524 S HA -0.294 4.176 4.470 0.001 0.000 0.290 524 S C 1.235 175.788 174.600 -0.078 0.000 1.080 524 S CA 3.139 61.302 58.200 -0.061 0.000 1.468 524 S CB -1.099 62.061 63.200 -0.067 0.000 1.303 524 S HN 0.608 nan 8.310 nan 0.000 0.457 525 S N 0.154 115.794 115.700 -0.101 0.000 3.123 525 S HA -0.204 4.267 4.470 0.001 0.000 0.330 525 S C 0.705 175.219 174.600 -0.143 0.000 1.248 525 S CA 0.680 58.800 58.200 -0.133 0.000 1.000 525 S CB -1.529 61.601 63.200 -0.116 0.000 1.049 525 S HN 0.977 nan 8.310 nan 0.000 0.658 526 G N -0.081 108.651 108.800 -0.113 0.000 3.678 526 G HA2 0.434 4.395 3.960 0.001 0.000 0.287 526 G HA3 0.434 4.395 3.960 0.001 0.000 0.287 526 G C -0.026 174.810 174.900 -0.106 0.000 1.280 526 G CA -0.426 44.613 45.100 -0.103 0.000 1.118 526 G HN 0.382 nan 8.290 nan 0.000 0.563 527 Q N 0.473 120.189 119.800 -0.139 0.000 2.392 527 Q HA 0.373 4.713 4.340 0.001 0.000 0.262 527 Q C 0.479 176.403 176.000 -0.127 0.000 1.003 527 Q CA 0.454 56.176 55.803 -0.135 0.000 0.888 527 Q CB 0.930 29.566 28.738 -0.171 0.000 1.260 527 Q HN 0.294 nan 8.270 nan 0.000 0.435 528 R N 0.660 121.108 120.500 -0.088 0.000 2.368 528 R HA 0.468 4.809 4.340 0.001 0.000 0.302 528 R C -1.003 175.268 176.300 -0.049 0.000 1.002 528 R CA -0.639 55.426 56.100 -0.059 0.000 0.929 528 R CB 1.176 31.457 30.300 -0.031 0.000 1.073 528 R HN 0.329 nan 8.270 nan 0.000 0.464 529 V N 2.869 122.770 119.914 -0.021 0.000 2.406 529 V HA 0.083 4.204 4.120 0.001 0.000 0.272 529 V C -0.197 175.952 176.094 0.092 0.000 1.043 529 V CA -0.391 61.922 62.300 0.021 0.000 0.915 529 V CB 1.281 33.134 31.823 0.051 0.000 0.988 529 V HN 0.670 nan 8.190 nan 0.000 0.466 530 D N 4.069 124.534 120.400 0.109 0.000 2.233 530 D HA 0.502 5.142 4.640 0.001 0.000 0.240 530 D C -0.837 175.555 176.300 0.153 0.000 1.074 530 D CA -0.147 53.917 54.000 0.106 0.000 0.838 530 D CB 1.788 42.625 40.800 0.063 0.000 1.124 530 D HN 0.279 nan 8.370 nan 0.000 0.475 531 V N 3.569 123.549 119.914 0.111 0.000 2.349 531 V HA 0.264 4.384 4.120 0.001 0.000 0.284 531 V C 0.278 176.391 176.094 0.032 0.000 1.014 531 V CA -0.954 61.381 62.300 0.058 0.000 0.826 531 V CB 1.169 33.004 31.823 0.021 0.000 1.009 531 V HN 0.674 nan 8.190 nan 0.000 0.431 532 S N 7.516 123.233 115.700 0.030 0.000 2.546 532 S HA 0.130 4.600 4.470 0.001 0.000 0.290 532 S C -0.648 173.965 174.600 0.022 0.000 1.290 532 S CA -0.602 57.614 58.200 0.026 0.000 1.069 532 S CB 0.816 64.034 63.200 0.029 0.000 0.846 532 S HN 0.684 nan 8.310 nan 0.000 0.495 533 P HA 0.010 nan 4.420 nan 0.000 0.234 533 P C 0.725 178.045 177.300 0.033 0.000 1.167 533 P CA 0.790 63.901 63.100 0.018 0.000 0.763 533 P CB -0.311 31.397 31.700 0.013 0.000 0.835 534 T N -5.071 109.507 114.554 0.039 0.000 3.085 534 T HA 0.158 4.508 4.350 0.001 0.000 0.264 534 T C 0.738 175.476 174.700 0.063 0.000 1.019 534 T CA -0.343 61.786 62.100 0.048 0.000 0.910 534 T CB -0.494 68.393 68.868 0.032 0.000 1.059 534 T HN -0.043 nan 8.240 nan 0.000 0.542 535 S N 1.309 117.054 115.700 0.075 0.000 2.549 535 S HA 0.097 4.567 4.470 0.001 0.000 0.283 535 S C 1.175 175.871 174.600 0.161 0.000 1.320 535 S CA -0.418 57.837 58.200 0.091 0.000 1.058 535 S CB 0.670 63.912 63.200 0.070 0.000 0.882 535 S HN 0.281 nan 8.310 nan 0.000 0.498 536 Q N 3.236 123.095 119.800 0.098 0.000 2.408 536 Q HA 0.196 4.537 4.340 0.001 0.000 0.205 536 Q C 1.552 177.645 176.000 0.155 0.000 0.919 536 Q CA 0.785 56.598 55.803 0.017 0.000 0.932 536 Q CB 0.103 28.870 28.738 0.048 0.000 1.058 536 Q HN 0.694 nan 8.270 nan 0.000 0.517 537 R N -0.986 119.638 120.500 0.206 0.000 2.279 537 R HA 0.325 4.666 4.340 0.001 0.000 0.195 537 R C 0.131 176.530 176.300 0.165 0.000 0.905 537 R CA 0.160 56.382 56.100 0.202 0.000 1.044 537 R CB 0.958 31.293 30.300 0.058 0.000 1.056 537 R HN 0.026 nan 8.270 nan 0.000 0.535 538 L N 0.653 121.943 121.223 0.111 0.000 2.401 538 L HA 0.434 4.774 4.340 0.001 0.000 0.266 538 L C -1.003 175.799 176.870 -0.114 0.000 0.991 538 L CA -0.685 54.102 54.840 -0.088 0.000 0.818 538 L CB 2.438 44.331 42.059 -0.277 0.000 1.321 538 L HN -0.081 nan 8.230 nan 0.000 0.413 539 Q N 2.965 122.613 119.800 -0.252 0.000 2.281 539 Q HA 0.469 4.809 4.340 0.001 0.000 0.263 539 Q C -1.709 174.156 176.000 -0.225 0.000 0.989 539 Q CA -0.663 54.956 55.803 -0.308 0.000 0.852 539 Q CB 2.216 30.544 28.738 -0.684 0.000 1.337 539 Q HN 0.570 nan 8.270 nan 0.000 0.418 540 L N 3.588 124.722 121.223 -0.149 0.000 2.483 540 L HA 0.201 4.542 4.340 0.001 0.000 0.276 540 L C 0.023 176.810 176.870 -0.138 0.000 1.213 540 L CA -0.084 54.692 54.840 -0.106 0.000 0.843 540 L CB 0.190 42.213 42.059 -0.060 0.000 1.107 540 L HN 0.553 nan 8.230 nan 0.000 0.487 541 L N 2.393 123.534 121.223 -0.137 0.000 2.349 541 L HA 0.270 4.611 4.340 0.001 0.000 0.275 541 L C 0.321 177.086 176.870 -0.175 0.000 1.115 541 L CA -0.063 54.667 54.840 -0.184 0.000 0.820 541 L CB 0.971 42.906 42.059 -0.207 0.000 1.135 541 L HN 0.605 nan 8.230 nan 0.000 0.445 542 E N 4.990 125.069 120.200 -0.201 0.000 2.197 542 E HA 0.327 4.677 4.350 0.001 0.000 0.281 542 E C -2.198 174.232 176.600 -0.282 0.000 0.995 542 E CA -1.892 54.404 56.400 -0.173 0.000 0.808 542 E CB 1.200 30.834 29.700 -0.109 0.000 1.093 542 E HN 0.318 nan 8.360 nan 0.000 0.394 543 P HA -0.004 nan 4.420 nan 0.000 0.266 543 P C -0.713 176.465 177.300 -0.203 0.000 1.195 543 P CA 0.134 63.086 63.100 -0.248 0.000 0.768 543 P CB 0.283 31.913 31.700 -0.118 0.000 0.838 544 F N 1.481 121.425 119.950 -0.010 0.000 2.444 544 F HA 0.057 4.585 4.527 0.001 0.000 0.331 544 F C 1.597 177.388 175.800 -0.015 0.000 1.167 544 F CA -0.309 57.688 58.000 -0.005 0.000 1.262 544 F CB -0.113 38.884 39.000 -0.005 0.000 1.196 544 F HN 0.356 nan 8.300 nan 0.000 0.583 545 D N 1.940 122.460 120.400 0.201 0.000 2.443 545 D HA -0.008 4.632 4.640 0.001 0.000 0.239 545 D C -0.303 176.033 176.300 0.061 0.000 1.136 545 D CA -0.252 53.800 54.000 0.087 0.000 0.879 545 D CB 0.596 41.427 40.800 0.053 0.000 1.195 545 D HN 0.224 nan 8.370 nan 0.000 0.443 546 K N 1.112 121.529 120.400 0.028 0.000 2.319 546 K HA 0.020 4.340 4.320 0.001 0.000 0.265 546 K C 0.139 176.745 176.600 0.010 0.000 1.000 546 K CA -0.586 55.710 56.287 0.015 0.000 0.943 546 K CB 0.600 33.102 32.500 0.005 0.000 0.950 546 K HN 0.588 nan 8.250 nan 0.000 0.485 547 W N 4.302 125.457 121.300 -0.242 0.000 2.223 547 W HA -0.053 4.607 4.660 0.001 0.000 0.334 547 W C 0.624 177.053 176.519 -0.150 0.000 1.334 547 W CA -0.134 57.036 57.345 -0.292 0.000 1.246 547 W CB 0.280 29.415 29.460 -0.543 0.000 1.184 547 W HN 0.686 nan 8.180 nan 0.000 0.563 548 D N 2.764 122.856 120.400 -0.513 0.000 2.363 548 D HA 0.066 4.707 4.640 0.001 0.000 0.226 548 D C 1.665 177.464 176.300 -0.834 0.000 1.020 548 D CA 0.762 54.444 54.000 -0.530 0.000 0.892 548 D CB -0.373 40.244 40.800 -0.305 0.000 0.900 548 D HN 0.801 nan 8.370 nan 0.000 0.531 549 G N -0.602 107.116 108.800 -1.804 0.000 2.175 549 G HA2 -0.290 3.670 3.960 0.001 0.000 0.244 549 G HA3 -0.290 3.670 3.960 0.001 0.000 0.244 549 G C 0.185 174.523 174.900 -0.937 0.000 0.982 549 G CA 0.277 44.343 45.100 -1.723 0.000 0.641 549 G HN 0.502 nan 8.290 nan 0.000 0.527 550 K N 0.469 120.522 120.400 -0.578 0.000 2.306 550 K HA 0.607 4.927 4.320 0.001 0.000 0.236 550 K C -0.245 176.499 176.600 0.241 0.000 1.013 550 K CA -0.903 55.340 56.287 -0.074 0.000 0.857 550 K CB 1.021 33.462 32.500 -0.098 0.000 1.214 550 K HN 0.052 nan 8.250 nan 0.000 0.449 551 D N 0.717 121.214 120.400 0.161 0.000 2.360 551 D HA 0.108 4.748 4.640 0.001 0.000 0.242 551 D C -0.255 176.105 176.300 0.100 0.000 1.184 551 D CA 0.050 54.133 54.000 0.139 0.000 0.930 551 D CB 0.545 41.378 40.800 0.055 0.000 1.161 551 D HN 0.237 nan 8.370 nan 0.000 0.447 552 L N 2.129 123.384 121.223 0.054 0.000 2.288 552 L HA 0.176 4.517 4.340 0.001 0.000 0.283 552 L C 0.517 177.384 176.870 -0.005 0.000 1.072 552 L CA -0.575 54.281 54.840 0.027 0.000 0.862 552 L CB 0.120 42.178 42.059 -0.002 0.000 1.245 552 L HN 0.124 nan 8.230 nan 0.000 0.432 553 E N 2.691 122.889 120.200 -0.004 0.000 2.242 553 E HA 0.166 4.516 4.350 0.001 0.000 0.275 553 E C -0.443 176.145 176.600 -0.019 0.000 1.002 553 E CA -0.748 55.643 56.400 -0.014 0.000 0.841 553 E CB 1.218 30.911 29.700 -0.012 0.000 1.109 553 E HN 0.394 nan 8.360 nan 0.000 0.394 554 D N 1.383 121.768 120.400 -0.026 0.000 2.735 554 D HA -0.185 4.456 4.640 0.001 0.000 0.235 554 D C -0.418 175.863 176.300 -0.032 0.000 1.175 554 D CA 0.680 54.662 54.000 -0.030 0.000 0.683 554 D CB -1.046 39.739 40.800 -0.025 0.000 1.008 554 D HN 0.385 nan 8.370 nan 0.000 0.416 555 L N 0.372 121.576 121.223 -0.031 0.000 2.349 555 L HA 0.171 4.512 4.340 0.001 0.000 0.275 555 L C 1.028 177.881 176.870 -0.029 0.000 1.115 555 L CA -0.251 54.576 54.840 -0.022 0.000 0.820 555 L CB 0.848 42.898 42.059 -0.015 0.000 1.135 555 L HN 0.040 nan 8.230 nan 0.000 0.445 556 Q N 2.916 122.692 119.800 -0.040 0.000 2.259 556 Q HA 0.381 4.722 4.340 0.001 0.000 0.249 556 Q C -0.777 175.226 176.000 0.005 0.000 0.914 556 Q CA -0.014 55.732 55.803 -0.094 0.000 0.904 556 Q CB 1.159 29.704 28.738 -0.321 0.000 1.213 556 Q HN 0.474 nan 8.270 nan 0.000 0.428 557 I N 5.691 126.262 120.570 0.002 0.000 2.337 557 I HA 0.013 4.183 4.170 0.001 0.000 0.291 557 I C 0.765 176.922 176.117 0.066 0.000 1.046 557 I CA -0.277 61.056 61.300 0.055 0.000 1.324 557 I CB 0.829 38.843 38.000 0.023 0.000 1.409 557 I HN 0.797 nan 8.210 nan 0.000 0.494 558 L N 8.718 130.007 121.223 0.109 0.000 2.056 558 L HA 0.214 4.554 4.340 0.001 0.000 0.207 558 L C 0.404 177.263 176.870 -0.017 0.000 1.078 558 L CA 1.905 56.740 54.840 -0.009 0.000 0.749 558 L CB 0.185 41.993 42.059 -0.418 0.000 0.901 558 L HN 0.564 nan 8.230 nan 0.000 0.433 559 I N -0.844 119.739 120.570 0.022 0.000 2.785 559 I HA 0.220 4.391 4.170 0.001 0.000 0.293 559 I C -1.399 174.755 176.117 0.062 0.000 1.446 559 I CA -0.825 60.495 61.300 0.034 0.000 1.028 559 I CB 1.511 39.526 38.000 0.026 0.000 1.349 559 I HN -0.060 nan 8.210 nan 0.000 0.438 560 K N 7.152 127.584 120.400 0.052 0.000 2.367 560 K HA 0.585 4.905 4.320 0.001 0.000 0.263 560 K C -1.580 175.077 176.600 0.094 0.000 1.000 560 K CA -0.512 55.803 56.287 0.047 0.000 0.891 560 K CB 1.427 33.904 32.500 -0.039 0.000 1.117 560 K HN 0.461 nan 8.250 nan 0.000 0.443 561 V N 4.095 124.101 119.914 0.153 0.000 2.607 561 V HA 0.225 4.345 4.120 0.001 0.000 0.289 561 V C 0.150 176.368 176.094 0.208 0.000 1.053 561 V CA -0.499 61.900 62.300 0.164 0.000 0.996 561 V CB 1.278 33.215 31.823 0.191 0.000 0.995 561 V HN 0.697 nan 8.190 nan 0.000 0.476 562 K N 2.913 123.397 120.400 0.140 0.000 2.274 562 K HA 0.614 4.934 4.320 0.001 0.000 0.262 562 K C 0.283 176.907 176.600 0.040 0.000 0.961 562 K CA 0.624 56.990 56.287 0.132 0.000 0.833 562 K CB 1.246 33.809 32.500 0.105 0.000 1.102 562 K HN 1.108 nan 8.250 nan 0.000 0.436 563 G N 3.104 111.903 108.800 -0.002 0.000 2.584 563 G HA2 -0.263 3.697 3.960 0.001 0.000 0.229 563 G HA3 -0.263 3.697 3.960 0.001 0.000 0.229 563 G C -0.937 173.899 174.900 -0.107 0.000 1.320 563 G CA -0.431 44.635 45.100 -0.058 0.000 0.891 563 G HN 0.707 nan 8.290 nan 0.000 0.573 564 K N -0.632 119.670 120.400 -0.164 0.000 2.447 564 K HA 0.380 4.701 4.320 0.001 0.000 0.281 564 K C -0.418 175.890 176.600 -0.486 0.000 1.031 564 K CA 0.422 56.550 56.287 -0.266 0.000 1.019 564 K CB -0.038 32.312 32.500 -0.251 0.000 0.918 564 K HN 0.930 nan 8.250 nan 0.000 0.476 565 C N 5.193 124.226 119.300 -0.445 0.000 2.978 565 C HA 0.278 4.738 4.460 0.001 0.000 0.274 565 C C -0.054 174.637 174.990 -0.498 0.000 1.087 565 C CA -0.476 58.216 59.018 -0.544 0.000 1.453 565 C CB -0.125 27.439 27.740 -0.293 0.000 1.838 565 C HN 0.918 nan 8.230 nan 0.000 0.470 566 T N 2.697 116.997 114.554 -0.423 0.000 2.813 566 T HA 0.134 4.484 4.350 0.001 0.000 0.297 566 T C 1.719 176.307 174.700 -0.187 0.000 1.036 566 T CA 0.717 62.647 62.100 -0.283 0.000 1.044 566 T CB 1.125 69.801 68.868 -0.319 0.000 0.993 566 T HN 0.804 nan 8.240 nan 0.000 0.535 567 T N -0.909 113.564 114.554 -0.135 0.000 2.962 567 T HA -0.096 4.255 4.350 0.001 0.000 0.270 567 T C 1.243 175.942 174.700 -0.002 0.000 1.088 567 T CA 0.872 62.907 62.100 -0.109 0.000 1.127 567 T CB -0.094 68.750 68.868 -0.040 0.000 0.883 567 T HN 0.483 nan 8.240 nan 0.000 0.493 568 D N 0.906 121.344 120.400 0.064 0.000 2.269 568 D HA -0.039 4.601 4.640 0.001 0.000 0.208 568 D C 1.713 177.994 176.300 -0.032 0.000 0.963 568 D CA 0.931 54.967 54.000 0.060 0.000 0.864 568 D CB -0.135 40.760 40.800 0.159 0.000 0.936 568 D HN 0.571 nan 8.370 nan 0.000 0.505 569 H N -0.037 118.982 119.070 -0.085 0.000 2.403 569 H HA 0.140 4.696 4.556 0.001 0.000 0.298 569 H C 2.158 177.434 175.328 -0.087 0.000 1.059 569 H CA 0.604 56.600 56.048 -0.087 0.000 1.363 569 H CB 0.161 29.848 29.762 -0.125 0.000 1.410 569 H HN 0.108 nan 8.280 nan 0.000 0.528 570 I N -1.265 119.307 120.570 0.003 0.000 2.333 570 I HA -0.069 4.101 4.170 0.001 0.000 0.246 570 I C 0.540 176.642 176.117 -0.024 0.000 1.106 570 I CA 0.796 62.086 61.300 -0.016 0.000 1.411 570 I CB 0.326 38.279 38.000 -0.079 0.000 1.082 570 I HN 0.044 nan 8.210 nan 0.000 0.420 571 S N 0.837 116.516 115.700 -0.036 0.000 2.385 571 S HA 0.619 5.089 4.470 0.001 0.000 0.191 571 S C -0.223 174.344 174.600 -0.056 0.000 1.196 571 S CA -0.765 57.396 58.200 -0.066 0.000 1.178 571 S CB 0.139 63.359 63.200 0.033 0.000 1.258 571 S HN 0.229 nan 8.310 nan 0.000 0.430 572 A N 3.097 125.839 122.820 -0.130 0.000 2.536 572 A HA 0.691 5.011 4.320 0.001 0.000 0.234 572 A C 1.099 178.743 177.584 0.100 0.000 1.076 572 A CA 0.567 52.588 52.037 -0.026 0.000 0.769 572 A CB -0.140 18.833 19.000 -0.043 0.000 1.020 572 A HN 1.340 nan 8.150 nan 0.000 0.508 573 A N 0.818 123.744 122.820 0.176 0.000 3.658 573 A HA 0.796 5.117 4.320 0.001 0.000 0.188 573 A C 1.738 179.471 177.584 0.249 0.000 1.601 573 A CA 0.759 52.919 52.037 0.205 0.000 1.765 573 A CB -0.964 18.129 19.000 0.154 0.000 1.546 573 A HN 2.757 nan 8.150 nan 0.000 0.555 574 G N -0.172 108.730 108.800 0.170 0.000 2.665 574 G HA2 -0.301 3.659 3.960 0.001 0.000 0.326 574 G HA3 -0.301 3.659 3.960 0.001 0.000 0.326 574 G C -0.710 174.236 174.900 0.077 0.000 1.231 574 G CA 0.985 46.164 45.100 0.132 0.000 0.992 574 G HN 0.745 nan 8.290 nan 0.000 0.549 575 P HA -0.059 nan 4.420 nan 0.000 0.222 575 P C 1.236 178.351 177.300 -0.309 0.000 1.147 575 P CA 2.088 65.073 63.100 -0.192 0.000 0.790 575 P CB -0.201 31.331 31.700 -0.280 0.000 0.780 576 W N -0.160 121.136 121.300 -0.008 0.000 2.800 576 W HA 0.147 4.808 4.660 0.001 0.000 0.249 576 W C 2.224 178.719 176.519 -0.039 0.000 1.294 576 W CA -0.065 57.302 57.345 0.037 0.000 1.402 576 W CB -0.839 28.684 29.460 0.106 0.000 1.126 576 W HN -0.153 nan 8.180 nan 0.000 0.652 577 L N 0.830 122.104 121.223 0.083 0.000 2.265 577 L HA -0.218 4.123 4.340 0.001 0.000 0.215 577 L C 2.598 179.422 176.870 -0.077 0.000 1.117 577 L CA 1.160 56.014 54.840 0.023 0.000 0.782 577 L CB -0.689 41.394 42.059 0.040 0.000 0.914 577 L HN 0.025 nan 8.230 nan 0.000 0.441 578 K N 0.594 120.842 120.400 -0.255 0.000 2.152 578 K HA -0.188 4.132 4.320 0.001 0.000 0.206 578 K C 1.112 177.470 176.600 -0.404 0.000 1.048 578 K CA 1.495 57.508 56.287 -0.458 0.000 0.933 578 K CB 0.031 32.049 32.500 -0.804 0.000 0.721 578 K HN 0.215 nan 8.250 nan 0.000 0.447 579 F N 0.407 120.389 119.950 0.053 0.000 2.639 579 F HA 0.258 4.786 4.527 0.001 0.000 0.300 579 F C 1.273 177.133 175.800 0.100 0.000 1.109 579 F CA -0.395 57.664 58.000 0.098 0.000 1.335 579 F CB 0.329 39.430 39.000 0.167 0.000 1.014 579 F HN -0.178 nan 8.300 nan 0.000 0.537 580 R N 0.253 120.835 120.500 0.136 0.000 2.341 580 R HA -0.002 4.338 4.340 0.001 0.000 0.213 580 R C 1.887 178.301 176.300 0.191 0.000 1.082 580 R CA 0.819 56.936 56.100 0.027 0.000 1.017 580 R CB -0.929 29.315 30.300 -0.094 0.000 0.860 580 R HN 0.384 nan 8.270 nan 0.000 0.473 581 G N -1.144 107.752 108.800 0.160 0.000 3.277 581 G HA2 -0.066 3.895 3.960 0.001 0.000 0.243 581 G HA3 -0.066 3.895 3.960 0.001 0.000 0.243 581 G C -0.100 174.845 174.900 0.075 0.000 1.107 581 G CA -0.148 45.001 45.100 0.081 0.000 0.771 581 G HN 0.187 nan 8.290 nan 0.000 0.544 582 H N 0.964 120.097 119.070 0.104 0.000 2.866 582 H HA 0.257 4.814 4.556 0.001 0.000 0.287 582 H C 0.630 175.984 175.328 0.043 0.000 1.106 582 H CA -0.758 55.325 56.048 0.058 0.000 1.396 582 H CB 1.549 31.367 29.762 0.094 0.000 1.469 582 H HN 0.024 nan 8.280 nan 0.000 0.500 583 L N 3.878 125.081 121.223 -0.033 0.000 2.046 583 L HA -0.105 4.235 4.340 0.001 0.000 0.208 583 L C 1.738 178.553 176.870 -0.093 0.000 1.077 583 L CA 2.138 56.939 54.840 -0.065 0.000 0.747 583 L CB -0.381 41.529 42.059 -0.248 0.000 0.896 583 L HN 0.595 nan 8.230 nan 0.000 0.432 584 D N -1.353 119.029 120.400 -0.030 0.000 2.183 584 D HA -0.156 4.484 4.640 0.001 0.000 0.203 584 D C 1.891 178.286 176.300 0.159 0.000 0.969 584 D CA 1.318 55.399 54.000 0.136 0.000 0.842 584 D CB 0.010 40.959 40.800 0.248 0.000 0.957 584 D HN 0.512 nan 8.370 nan 0.000 0.484 585 N N -0.522 118.260 118.700 0.138 0.000 2.250 585 N HA -0.003 4.737 4.740 0.001 0.000 0.181 585 N C 1.789 177.226 175.510 -0.121 0.000 1.017 585 N CA 0.254 53.126 53.050 -0.297 0.000 0.866 585 N CB 0.205 38.068 38.487 -1.039 0.000 0.985 585 N HN 0.170 nan 8.380 nan 0.000 0.429 586 I N 0.595 121.246 120.570 0.134 0.000 2.546 586 I HA -0.128 4.043 4.170 0.001 0.000 0.255 586 I C 1.232 177.430 176.117 0.135 0.000 1.163 586 I CA 0.733 62.221 61.300 0.314 0.000 1.457 586 I CB 0.094 38.310 38.000 0.361 0.000 1.092 586 I HN 0.051 nan 8.210 nan 0.000 0.434 587 S N 1.384 117.167 115.700 0.138 0.000 2.528 587 S HA -0.105 4.365 4.470 0.001 0.000 0.244 587 S C 1.336 175.973 174.600 0.063 0.000 0.982 587 S CA 0.706 58.989 58.200 0.138 0.000 0.953 587 S CB -0.473 62.901 63.200 0.290 0.000 0.754 587 S HN 0.525 nan 8.310 nan 0.000 0.529 588 N N 2.594 121.327 118.700 0.055 0.000 2.521 588 N HA -0.009 4.732 4.740 0.001 0.000 0.188 588 N C 0.926 176.316 175.510 -0.199 0.000 1.146 588 N CA 0.364 53.448 53.050 0.058 0.000 0.893 588 N CB -0.328 38.310 38.487 0.252 0.000 0.975 588 N HN 0.799 nan 8.380 nan 0.000 0.451 589 N N -0.069 118.251 118.700 -0.633 0.000 2.205 589 N HA 0.011 4.751 4.740 0.001 0.000 0.201 589 N C 0.135 175.427 175.510 -0.365 0.000 1.128 589 N CA -0.417 52.125 53.050 -0.847 0.000 0.867 589 N CB 0.240 37.718 38.487 -1.681 0.000 0.996 589 N HN -0.069 nan 8.380 nan 0.000 0.503 590 L N 2.367 123.486 121.223 -0.172 0.000 2.660 590 L HA -0.004 4.336 4.340 0.001 0.000 0.272 590 L C 0.586 177.435 176.870 -0.035 0.000 1.194 590 L CA 0.719 55.532 54.840 -0.045 0.000 0.945 590 L CB -0.407 41.685 42.059 0.056 0.000 1.212 590 L HN 0.299 nan 8.230 nan 0.000 0.490 591 L N 4.627 125.845 121.223 -0.009 0.000 4.001 591 L HA -0.308 4.032 4.340 0.001 0.000 0.413 591 L C 1.439 178.313 176.870 0.006 0.000 1.185 591 L CA 0.829 55.683 54.840 0.023 0.000 0.963 591 L CB -1.463 40.630 42.059 0.056 0.000 1.976 591 L HN 0.854 nan 8.230 nan 0.000 0.939 592 I N -4.161 116.388 120.570 -0.033 0.000 3.001 592 I HA 0.034 4.205 4.170 0.001 0.000 0.268 592 I C 1.925 178.052 176.117 0.018 0.000 1.267 592 I CA 1.498 62.792 61.300 -0.010 0.000 1.472 592 I CB -0.331 37.657 38.000 -0.020 0.000 1.089 592 I HN 0.228 nan 8.210 nan 0.000 0.468 593 G N 0.952 109.765 108.800 0.021 0.000 2.887 593 G HA2 0.450 4.411 3.960 0.001 0.000 0.211 593 G HA3 0.450 4.411 3.960 0.001 0.000 0.211 593 G C 0.796 175.812 174.900 0.194 0.000 1.152 593 G CA 0.317 45.444 45.100 0.045 0.000 0.769 593 G HN 0.527 nan 8.290 nan 0.000 0.541 594 A N 0.991 123.906 122.820 0.159 0.000 2.425 594 A HA 0.521 4.841 4.320 0.001 0.000 0.249 594 A C 0.097 177.741 177.584 0.099 0.000 1.084 594 A CA -0.236 51.882 52.037 0.136 0.000 0.781 594 A CB 0.331 19.391 19.000 0.099 0.000 1.019 594 A HN 0.114 nan 8.150 nan 0.000 0.490 595 I N 2.775 123.388 120.570 0.072 0.000 2.396 595 I HA 0.065 4.235 4.170 0.001 0.000 0.289 595 I C 0.474 176.632 176.117 0.069 0.000 1.056 595 I CA -0.262 61.075 61.300 0.061 0.000 1.365 595 I CB 0.331 38.355 38.000 0.040 0.000 1.407 595 I HN 0.723 nan 8.210 nan 0.000 0.509 596 N N 5.800 124.543 118.700 0.073 0.000 2.458 596 N HA 0.088 4.828 4.740 0.001 0.000 0.270 596 N C 0.862 176.419 175.510 0.079 0.000 1.102 596 N CA 0.064 53.164 53.050 0.083 0.000 0.967 596 N CB 0.898 39.445 38.487 0.100 0.000 1.078 596 N HN 0.639 nan 8.380 nan 0.000 0.471 597 I N 2.730 123.349 120.570 0.081 0.000 2.286 597 I HA -0.201 3.969 4.170 0.001 0.000 0.248 597 I C 1.954 178.113 176.117 0.070 0.000 1.115 597 I CA 1.191 62.536 61.300 0.075 0.000 1.392 597 I CB 0.028 38.071 38.000 0.071 0.000 1.065 597 I HN 0.748 nan 8.210 nan 0.000 0.418 598 E N 1.084 121.337 120.200 0.088 0.000 2.097 598 E HA -0.286 4.064 4.350 0.001 0.000 0.196 598 E C 1.062 177.707 176.600 0.076 0.000 1.000 598 E CA 1.922 58.385 56.400 0.105 0.000 0.804 598 E CB 0.039 29.844 29.700 0.175 0.000 0.740 598 E HN 0.718 nan 8.360 nan 0.000 0.454 599 N N -1.511 117.225 118.700 0.062 0.000 2.143 599 N HA 0.093 4.833 4.740 0.001 0.000 0.222 599 N C -0.290 175.218 175.510 -0.003 0.000 1.264 599 N CA 0.082 53.129 53.050 -0.005 0.000 0.897 599 N CB 0.380 38.818 38.487 -0.082 0.000 1.092 599 N HN 0.004 nan 8.380 nan 0.000 0.516 600 R N -1.285 119.230 120.500 0.025 0.000 3.770 600 R HA -0.168 4.172 4.340 0.001 0.000 0.305 600 R C -1.030 175.281 176.300 0.019 0.000 1.184 600 R CA 0.826 56.940 56.100 0.023 0.000 0.823 600 R CB -1.716 28.590 30.300 0.011 0.000 1.285 600 R HN 0.198 nan 8.270 nan 0.000 0.499 601 K N 0.145 120.561 120.400 0.027 0.000 2.156 601 K HA 0.697 5.017 4.320 0.001 0.000 0.254 601 K C -0.297 176.330 176.600 0.046 0.000 0.950 601 K CA -0.031 56.271 56.287 0.026 0.000 0.849 601 K CB 1.676 34.185 32.500 0.015 0.000 1.100 601 K HN 0.240 nan 8.250 nan 0.000 0.434 602 A N 2.599 125.445 122.820 0.043 0.000 2.363 602 A HA 0.332 4.653 4.320 0.001 0.000 0.270 602 A C 0.121 177.735 177.584 0.050 0.000 1.121 602 A CA -0.072 51.997 52.037 0.053 0.000 0.800 602 A CB -0.098 18.933 19.000 0.051 0.000 1.052 602 A HN 0.861 nan 8.150 nan 0.000 0.493 603 N N -0.257 118.472 118.700 0.049 0.000 2.721 603 N HA -0.178 4.562 4.740 0.001 0.000 0.249 603 N C -0.445 175.097 175.510 0.054 0.000 1.072 603 N CA 1.424 54.499 53.050 0.041 0.000 0.710 603 N CB -1.041 37.471 38.487 0.040 0.000 0.993 603 N HN 0.763 nan 8.380 nan 0.000 0.547 604 S N -0.427 115.323 115.700 0.084 0.000 2.620 604 S HA 0.570 5.041 4.470 0.001 0.000 0.244 604 S C -0.611 174.142 174.600 0.256 0.000 1.192 604 S CA -0.076 58.216 58.200 0.154 0.000 1.148 604 S CB 0.175 63.452 63.200 0.129 0.000 1.106 604 S HN 0.516 nan 8.310 nan 0.000 0.474 605 V N 2.202 122.200 119.914 0.141 0.000 2.960 605 V HA 0.699 4.819 4.120 0.001 0.000 0.315 605 V C 0.035 175.922 176.094 -0.345 0.000 1.087 605 V CA -1.408 60.900 62.300 0.012 0.000 0.982 605 V CB 1.666 33.454 31.823 -0.059 0.000 1.039 605 V HN 0.756 nan 8.190 nan 0.000 0.437 606 R N 2.839 122.890 120.500 -0.749 0.000 2.267 606 R HA 0.204 4.544 4.340 0.001 0.000 0.319 606 R C -0.083 175.950 176.300 -0.446 0.000 1.067 606 R CA -0.286 55.182 56.100 -1.054 0.000 0.936 606 R CB 0.344 30.014 30.300 -1.050 0.000 1.006 606 R HN 0.953 nan 8.270 nan 0.000 0.452 607 N N 3.476 121.942 118.700 -0.390 0.000 2.420 607 N HA -0.006 4.735 4.740 0.001 0.000 0.262 607 N C 0.520 175.944 175.510 -0.144 0.000 1.144 607 N CA 0.323 53.216 53.050 -0.262 0.000 0.952 607 N CB 1.567 39.809 38.487 -0.409 0.000 1.081 607 N HN 0.712 nan 8.380 nan 0.000 0.480 608 A N 3.752 126.599 122.820 0.045 0.000 2.019 608 A HA -0.095 4.225 4.320 0.001 0.000 0.219 608 A C 1.929 179.514 177.584 0.001 0.000 1.164 608 A CA 1.376 53.423 52.037 0.017 0.000 0.644 608 A CB -0.129 18.887 19.000 0.027 0.000 0.805 608 A HN 0.546 nan 8.150 nan 0.000 0.449 609 V N -0.376 119.548 119.914 0.017 0.000 2.500 609 V HA -0.111 4.009 4.120 0.001 0.000 0.243 609 V C 2.775 178.828 176.094 -0.069 0.000 1.039 609 V CA 2.143 64.444 62.300 0.001 0.000 1.053 609 V CB -0.784 31.097 31.823 0.097 0.000 0.695 609 V HN 0.787 nan 8.190 nan 0.000 0.463 610 T N -4.005 110.448 114.554 -0.169 0.000 3.057 610 T HA -0.024 4.327 4.350 0.001 0.000 0.254 610 T C 1.003 175.632 174.700 -0.118 0.000 1.094 610 T CA 0.239 62.244 62.100 -0.159 0.000 1.088 610 T CB 0.072 68.785 68.868 -0.258 0.000 0.934 610 T HN 0.333 nan 8.240 nan 0.000 0.497 611 Q N 0.584 120.304 119.800 -0.133 0.000 2.494 611 Q HA -0.120 4.220 4.340 0.001 0.000 0.272 611 Q C -0.789 175.160 176.000 -0.085 0.000 1.145 611 Q CA 0.906 56.643 55.803 -0.110 0.000 0.943 611 Q CB -1.621 27.089 28.738 -0.046 0.000 1.338 611 Q HN 0.697 nan 8.270 nan 0.000 0.492 612 E N -0.365 119.755 120.200 -0.134 0.000 2.195 612 E HA 0.460 4.810 4.350 0.001 0.000 0.271 612 E C -0.237 176.297 176.600 -0.110 0.000 0.923 612 E CA -0.708 55.660 56.400 -0.053 0.000 0.790 612 E CB 0.721 30.384 29.700 -0.062 0.000 1.155 612 E HN -0.031 nan 8.360 nan 0.000 0.402 613 F N 0.728 120.643 119.950 -0.058 0.000 2.410 613 F HA 0.492 5.020 4.527 0.001 0.000 0.348 613 F C 1.114 176.878 175.800 -0.061 0.000 1.106 613 F CA 0.423 58.391 58.000 -0.054 0.000 1.163 613 F CB 1.450 40.430 39.000 -0.034 0.000 1.129 613 F HN 0.435 nan 8.300 nan 0.000 0.516 614 G N 2.963 111.791 108.800 0.048 0.000 2.721 614 G HA2 0.577 4.537 3.960 0.001 0.000 0.296 614 G HA3 0.577 4.537 3.960 0.001 0.000 0.296 614 G C -3.271 171.625 174.900 -0.006 0.000 1.383 614 G CA -1.661 43.442 45.100 0.005 0.000 0.788 614 G HN 0.225 nan 8.290 nan 0.000 0.500 615 P HA 0.178 nan 4.420 nan 0.000 0.267 615 P C 1.145 178.407 177.300 -0.063 0.000 1.200 615 P CA -0.377 62.715 63.100 -0.015 0.000 0.772 615 P CB 1.225 32.928 31.700 0.005 0.000 0.855 616 V N 5.138 125.017 119.914 -0.059 0.000 2.307 616 V HA -0.148 3.972 4.120 0.001 0.000 0.245 616 V C -0.817 175.197 176.094 -0.134 0.000 1.045 616 V CA 2.267 64.499 62.300 -0.112 0.000 1.024 616 V CB -2.282 29.494 31.823 -0.079 0.000 0.651 616 V HN 0.645 nan 8.190 nan 0.000 0.449 617 P HA -0.132 nan 4.420 nan 0.000 0.216 617 P C 0.941 178.217 177.300 -0.039 0.000 1.153 617 P CA 1.641 64.718 63.100 -0.038 0.000 0.858 617 P CB -0.104 31.596 31.700 0.000 0.000 0.789 618 D N -1.445 118.929 120.400 -0.043 0.000 2.117 618 D HA -0.099 4.541 4.640 0.001 0.000 0.198 618 D C 1.848 178.091 176.300 -0.096 0.000 0.982 618 D CA 1.399 55.378 54.000 -0.035 0.000 0.828 618 D CB -1.275 39.509 40.800 -0.027 0.000 0.967 618 D HN 0.161 nan 8.370 nan 0.000 0.464 619 T N 0.337 114.764 114.554 -0.213 0.000 2.821 619 T HA -0.054 4.297 4.350 0.001 0.000 0.267 619 T C 2.047 176.418 174.700 -0.549 0.000 1.046 619 T CA 1.287 63.128 62.100 -0.433 0.000 1.139 619 T CB -0.303 68.281 68.868 -0.474 0.000 0.871 619 T HN 0.198 nan 8.240 nan 0.000 0.454 620 A N 1.937 124.529 122.820 -0.381 0.000 1.898 620 A HA -0.088 4.233 4.320 0.001 0.000 0.216 620 A C 2.405 180.015 177.584 0.043 0.000 1.181 620 A CA 1.191 53.062 52.037 -0.277 0.000 0.620 620 A CB -0.463 18.399 19.000 -0.230 0.000 0.819 620 A HN 0.373 nan 8.150 nan 0.000 0.442 621 R N -2.211 118.311 120.500 0.036 0.000 2.096 621 R HA -0.154 4.186 4.340 0.001 0.000 0.235 621 R C 2.143 178.507 176.300 0.107 0.000 1.127 621 R CA 1.669 57.818 56.100 0.082 0.000 0.968 621 R CB -0.526 29.810 30.300 0.059 0.000 0.861 621 R HN 0.705 nan 8.270 nan 0.000 0.440 622 Y N 0.404 120.682 120.300 -0.036 0.000 2.145 622 Y HA -0.293 4.258 4.550 0.001 0.000 0.286 622 Y C 1.829 177.876 175.900 0.246 0.000 1.145 622 Y CA 1.506 59.648 58.100 0.071 0.000 1.148 622 Y CB -0.250 38.157 38.460 -0.088 0.000 0.981 622 Y HN -0.013 nan 8.280 nan 0.000 0.507 623 Y N 0.659 121.165 120.300 0.344 0.000 2.181 623 Y HA -0.189 4.362 4.550 0.001 0.000 0.288 623 Y C 2.595 178.623 175.900 0.212 0.000 1.146 623 Y CA 1.365 59.637 58.100 0.287 0.000 1.164 623 Y CB -1.026 37.609 38.460 0.292 0.000 0.982 623 Y HN 0.124 nan 8.280 nan 0.000 0.515 624 K N 0.343 120.957 120.400 0.357 0.000 2.063 624 K HA -0.262 4.058 4.320 0.001 0.000 0.208 624 K C 2.233 178.863 176.600 0.050 0.000 1.048 624 K CA 1.635 58.043 56.287 0.201 0.000 0.928 624 K CB -0.200 32.398 32.500 0.164 0.000 0.713 624 K HN 0.367 nan 8.250 nan 0.000 0.442 625 Q N -0.241 119.535 119.800 -0.040 0.000 2.135 625 Q HA -0.182 4.158 4.340 0.001 0.000 0.204 625 Q C 1.053 176.801 176.000 -0.420 0.000 0.981 625 Q CA 1.369 57.015 55.803 -0.261 0.000 0.856 625 Q CB 0.055 28.569 28.738 -0.373 0.000 0.902 625 Q HN 0.542 nan 8.270 nan 0.000 0.425 626 H N -1.689 117.298 119.070 -0.138 0.000 2.517 626 H HA 0.164 4.720 4.556 0.001 0.000 0.282 626 H C 0.801 176.121 175.328 -0.015 0.000 1.023 626 H CA 0.654 56.636 56.048 -0.110 0.000 1.169 626 H CB 0.694 30.342 29.762 -0.189 0.000 1.454 626 H HN 0.513 nan 8.280 nan 0.000 0.556 627 G N 1.727 110.571 108.800 0.073 0.000 2.160 627 G HA2 -0.276 3.685 3.960 0.001 0.000 0.251 627 G HA3 -0.276 3.685 3.960 0.001 0.000 0.251 627 G C 0.154 175.107 174.900 0.088 0.000 1.008 627 G CA -0.005 45.133 45.100 0.063 0.000 0.724 627 G HN 0.373 nan 8.290 nan 0.000 0.514 628 I N 0.870 121.530 120.570 0.151 0.000 2.297 628 I HA 0.325 4.495 4.170 0.001 0.000 0.291 628 I C 0.977 177.184 176.117 0.150 0.000 1.033 628 I CA -0.741 60.622 61.300 0.105 0.000 1.253 628 I CB 0.752 38.793 38.000 0.068 0.000 1.396 628 I HN 0.039 nan 8.210 nan 0.000 0.476 629 R N 7.261 127.797 120.500 0.060 0.000 2.438 629 R HA 0.308 4.648 4.340 0.001 0.000 0.287 629 R C -0.678 175.662 176.300 0.067 0.000 1.077 629 R CA -0.023 56.078 56.100 0.001 0.000 1.034 629 R CB 0.877 31.152 30.300 -0.041 0.000 0.993 629 R HN 0.632 nan 8.270 nan 0.000 0.459 630 W N 0.896 122.196 121.300 -0.001 0.000 2.967 630 W HA 0.760 5.420 4.660 0.001 0.000 0.342 630 W C -1.522 175.004 176.519 0.011 0.000 1.162 630 W CA -1.105 56.234 57.345 -0.010 0.000 1.085 630 W CB 0.513 30.011 29.460 0.063 0.000 1.460 630 W HN 0.222 nan 8.180 nan 0.000 0.584 631 V N 1.105 121.311 119.914 0.486 0.000 3.049 631 V HA 0.535 4.655 4.120 0.001 0.000 0.309 631 V C -0.841 175.474 176.094 0.369 0.000 1.148 631 V CA -0.887 61.585 62.300 0.287 0.000 0.990 631 V CB 2.460 34.346 31.823 0.105 0.000 1.039 631 V HN 0.430 nan 8.190 nan 0.000 0.430 632 V N 4.919 124.991 119.914 0.264 0.000 2.581 632 V HA 0.575 4.695 4.120 0.001 0.000 0.303 632 V C -0.713 175.409 176.094 0.047 0.000 1.041 632 V CA -0.640 61.770 62.300 0.184 0.000 0.907 632 V CB 1.943 33.900 31.823 0.223 0.000 0.994 632 V HN 0.548 nan 8.190 nan 0.000 0.442 633 I N 3.678 124.276 120.570 0.047 0.000 2.389 633 I HA 0.667 4.838 4.170 0.001 0.000 0.288 633 I C 0.563 176.741 176.117 0.103 0.000 0.999 633 I CA 0.087 61.420 61.300 0.055 0.000 1.129 633 I CB 1.198 39.242 38.000 0.073 0.000 1.288 633 I HN 0.741 nan 8.210 nan 0.000 0.444 634 G N 4.168 112.998 108.800 0.049 0.000 2.816 634 G HA2 0.474 4.434 3.960 0.001 0.000 0.288 634 G HA3 0.474 4.434 3.960 0.001 0.000 0.288 634 G C -0.647 174.363 174.900 0.183 0.000 1.334 634 G CA -0.164 45.001 45.100 0.108 0.000 0.978 634 G HN 0.461 nan 8.290 nan 0.000 0.493 635 D N -0.932 119.517 120.400 0.081 0.000 2.350 635 D HA 0.234 4.874 4.640 0.001 0.000 0.272 635 D C 0.049 176.282 176.300 -0.112 0.000 1.204 635 D CA -0.237 53.672 54.000 -0.152 0.000 1.124 635 D CB 0.618 41.311 40.800 -0.177 0.000 1.189 635 D HN 0.243 nan 8.370 nan 0.000 0.556 636 E N 0.840 120.971 120.200 -0.115 0.000 2.313 636 E HA 0.102 4.453 4.350 0.001 0.000 0.272 636 E C -0.176 176.401 176.600 -0.039 0.000 1.038 636 E CA -0.185 56.168 56.400 -0.078 0.000 0.863 636 E CB 0.854 30.509 29.700 -0.075 0.000 1.060 636 E HN 0.444 nan 8.360 nan 0.000 0.402 637 N N 2.355 121.046 118.700 -0.015 0.000 2.738 637 N HA -0.274 4.467 4.740 0.001 0.000 0.249 637 N C -0.990 174.545 175.510 0.043 0.000 1.047 637 N CA 0.040 53.106 53.050 0.026 0.000 0.707 637 N CB -0.834 37.658 38.487 0.008 0.000 0.937 637 N HN 0.446 nan 8.380 nan 0.000 0.545 638 Y N 0.290 120.541 120.300 -0.082 0.000 2.526 638 Y HA 0.303 4.853 4.550 0.001 0.000 0.330 638 Y C 1.450 177.432 175.900 0.138 0.000 1.156 638 Y CA 1.718 59.796 58.100 -0.037 0.000 1.419 638 Y CB 0.712 39.086 38.460 -0.144 0.000 1.250 638 Y HN 0.305 nan 8.280 nan 0.000 0.540 639 G N 3.847 112.407 108.800 -0.400 0.000 2.131 639 G HA2 -0.285 3.676 3.960 0.001 0.000 0.223 639 G HA3 -0.285 3.676 3.960 0.001 0.000 0.223 639 G C 0.081 174.925 174.900 -0.093 0.000 0.990 639 G CA 0.024 44.923 45.100 -0.336 0.000 0.671 639 G HN 0.814 nan 8.290 nan 0.000 0.521 640 E N 0.188 120.338 120.200 -0.083 0.000 2.481 640 E HA 0.417 4.767 4.350 0.001 0.000 0.263 640 E C 1.168 177.801 176.600 0.055 0.000 0.992 640 E CA 1.364 57.765 56.400 0.002 0.000 0.938 640 E CB 0.092 29.762 29.700 -0.049 0.000 0.933 640 E HN 1.706 nan 8.360 nan 0.000 0.453 641 G N 2.687 111.586 108.800 0.164 0.000 2.341 641 G HA2 -0.220 3.740 3.960 0.001 0.000 0.196 641 G HA3 -0.220 3.740 3.960 0.001 0.000 0.196 641 G C -0.199 174.785 174.900 0.140 0.000 1.231 641 G CA -0.238 45.013 45.100 0.253 0.000 1.155 641 G HN 0.822 nan 8.290 nan 0.000 0.529 642 S N -0.053 115.741 115.700 0.158 0.000 2.558 642 S HA 0.368 4.839 4.470 0.001 0.000 0.287 642 S C 1.869 176.533 174.600 0.108 0.000 1.321 642 S CA 1.141 59.413 58.200 0.119 0.000 1.048 642 S CB 0.701 63.988 63.200 0.145 0.000 0.844 642 S HN 2.163 nan 8.310 nan 0.000 0.512 643 S N 3.472 119.230 115.700 0.097 0.000 2.603 643 S HA -0.001 4.470 4.470 0.001 0.000 0.220 643 S C 0.737 175.417 174.600 0.135 0.000 0.967 643 S CA -0.228 58.038 58.200 0.111 0.000 0.920 643 S CB -0.524 62.727 63.200 0.085 0.000 0.773 643 S HN 0.892 nan 8.310 nan 0.000 0.529 644 R N 2.334 122.923 120.500 0.148 0.000 2.549 644 R HA -0.058 4.283 4.340 0.001 0.000 0.336 644 R C 0.769 177.203 176.300 0.223 0.000 0.891 644 R CA 0.738 56.962 56.100 0.207 0.000 1.102 644 R CB -0.290 30.134 30.300 0.206 0.000 0.899 644 R HN 0.646 nan 8.270 nan 0.000 0.407 645 E N 2.383 122.680 120.200 0.161 0.000 2.463 645 E HA -0.218 4.132 4.350 0.001 0.000 0.201 645 E C 0.223 176.841 176.600 0.030 0.000 1.045 645 E CA 1.108 57.553 56.400 0.073 0.000 0.872 645 E CB -0.189 29.499 29.700 -0.019 0.000 0.797 645 E HN 0.817 nan 8.360 nan 0.000 0.538 646 H N 0.788 119.928 119.070 0.117 0.000 2.457 646 H HA 0.026 4.582 4.556 0.001 0.000 0.294 646 H C 1.837 177.247 175.328 0.137 0.000 1.064 646 H CA 1.497 57.617 56.048 0.119 0.000 1.330 646 H CB 0.145 29.970 29.762 0.106 0.000 1.395 646 H HN 0.130 nan 8.280 nan 0.000 0.541 647 S N -0.420 115.427 115.700 0.245 0.000 2.474 647 S HA -0.010 4.461 4.470 0.001 0.000 0.235 647 S C 2.139 176.945 174.600 0.342 0.000 0.997 647 S CA 0.696 59.040 58.200 0.239 0.000 0.949 647 S CB 0.064 63.352 63.200 0.148 0.000 0.766 647 S HN 0.605 nan 8.310 nan 0.000 0.517 648 A N 0.659 123.641 122.820 0.271 0.000 1.993 648 A HA 0.376 4.697 4.320 0.001 0.000 0.207 648 A C 1.877 179.519 177.584 0.096 0.000 1.224 648 A CA 0.079 52.219 52.037 0.172 0.000 0.749 648 A CB -0.308 18.725 19.000 0.054 0.000 0.884 648 A HN 0.381 nan 8.150 nan 0.000 0.467 649 L N -0.101 121.181 121.223 0.098 0.000 2.056 649 L HA -0.173 4.167 4.340 0.001 0.000 0.207 649 L C 2.499 179.479 176.870 0.183 0.000 1.078 649 L CA 1.561 56.481 54.840 0.133 0.000 0.749 649 L CB -0.466 41.647 42.059 0.091 0.000 0.901 649 L HN 0.442 nan 8.230 nan 0.000 0.433 650 E N 0.020 120.338 120.200 0.196 0.000 2.031 650 E HA -0.199 4.151 4.350 0.001 0.000 0.193 650 E C -0.675 176.089 176.600 0.274 0.000 0.994 650 E CA 1.430 57.977 56.400 0.245 0.000 0.800 650 E CB -1.017 28.811 29.700 0.213 0.000 0.752 650 E HN 0.465 nan 8.360 nan 0.000 0.447 651 P HA -0.174 nan 4.420 nan 0.000 0.218 651 P C 1.225 178.531 177.300 0.009 0.000 1.149 651 P CA 1.271 64.543 63.100 0.286 0.000 0.817 651 P CB 0.087 31.973 31.700 0.310 0.000 0.785 652 R N -0.232 120.220 120.500 -0.079 0.000 2.075 652 R HA -0.143 4.197 4.340 0.001 0.000 0.232 652 R C 2.649 178.858 176.300 -0.151 0.000 1.126 652 R CA 1.527 57.433 56.100 -0.324 0.000 0.963 652 R CB -1.905 27.969 30.300 -0.711 0.000 0.858 652 R HN 0.269 nan 8.270 nan 0.000 0.435 653 H N -0.090 118.999 119.070 0.031 0.000 2.353 653 H HA -0.035 4.521 4.556 0.001 0.000 0.300 653 H C 0.981 176.411 175.328 0.170 0.000 1.090 653 H CA 1.554 57.729 56.048 0.211 0.000 1.327 653 H CB 0.140 30.056 29.762 0.256 0.000 1.383 653 H HN 0.194 nan 8.280 nan 0.000 0.508 654 L N 0.437 121.760 121.223 0.167 0.000 2.660 654 L HA 0.094 4.435 4.340 0.001 0.000 0.238 654 L C 1.320 178.398 176.870 0.347 0.000 1.161 654 L CA 0.622 55.600 54.840 0.229 0.000 0.937 654 L CB 0.156 42.454 42.059 0.399 0.000 1.122 654 L HN 0.614 nan 8.230 nan 0.000 0.435 655 G N -0.342 108.468 108.800 0.017 0.000 2.157 655 G HA2 -0.211 3.750 3.960 0.001 0.000 0.239 655 G HA3 -0.211 3.750 3.960 0.001 0.000 0.239 655 G C 0.564 174.944 174.900 -0.866 0.000 0.982 655 G CA -0.231 44.758 45.100 -0.185 0.000 0.650 655 G HN 0.527 nan 8.290 nan 0.000 0.527 656 G N -0.895 107.078 108.800 -1.377 0.000 2.483 656 G HA2 0.508 4.468 3.960 0.001 0.000 0.248 656 G HA3 0.508 4.468 3.960 0.001 0.000 0.248 656 G C 0.629 175.069 174.900 -0.766 0.000 1.248 656 G CA 0.163 44.153 45.100 -1.850 0.000 0.838 656 G HN 0.279 nan 8.290 nan 0.000 0.566 657 R N 0.392 120.569 120.500 -0.538 0.000 2.276 657 R HA 0.506 4.846 4.340 0.001 0.000 0.195 657 R C 0.761 176.973 176.300 -0.146 0.000 0.908 657 R CA 0.918 56.867 56.100 -0.252 0.000 1.083 657 R CB 0.490 30.681 30.300 -0.182 0.000 1.182 657 R HN 0.757 nan 8.270 nan 0.000 0.608 658 A N 0.022 122.767 122.820 -0.125 0.000 2.606 658 A HA 0.666 4.986 4.320 0.001 0.000 0.293 658 A C -1.665 175.912 177.584 -0.011 0.000 1.082 658 A CA -0.600 51.395 52.037 -0.070 0.000 0.685 658 A CB 1.395 20.337 19.000 -0.097 0.000 1.284 658 A HN -0.000 nan 8.150 nan 0.000 0.408 659 I N 1.659 122.242 120.570 0.022 0.000 2.468 659 I HA 0.409 4.579 4.170 0.001 0.000 0.285 659 I C -1.029 175.096 176.117 0.014 0.000 1.039 659 I CA -0.111 61.209 61.300 0.033 0.000 1.074 659 I CB 1.221 39.294 38.000 0.120 0.000 1.228 659 I HN 0.522 nan 8.210 nan 0.000 0.436 660 I N 6.029 126.518 120.570 -0.135 0.000 2.382 660 I HA 0.414 4.584 4.170 0.001 0.000 0.286 660 I C 0.307 176.178 176.117 -0.409 0.000 1.002 660 I CA -0.187 60.934 61.300 -0.298 0.000 1.135 660 I CB 2.093 39.879 38.000 -0.357 0.000 1.288 660 I HN 0.648 nan 8.210 nan 0.000 0.448 661 T N 1.007 115.251 114.554 -0.516 0.000 2.864 661 T HA 0.463 4.813 4.350 0.001 0.000 0.289 661 T C 0.552 175.151 174.700 -0.167 0.000 1.082 661 T CA -0.857 61.011 62.100 -0.387 0.000 1.009 661 T CB 2.275 70.680 68.868 -0.771 0.000 1.234 661 T HN 0.449 nan 8.240 nan 0.000 0.526 662 K N 0.421 120.849 120.400 0.047 0.000 2.062 662 K HA 0.172 4.492 4.320 0.001 0.000 0.205 662 K C 0.791 177.368 176.600 -0.038 0.000 1.051 662 K CA 1.123 57.473 56.287 0.105 0.000 0.941 662 K CB -0.058 32.444 32.500 0.003 0.000 0.719 662 K HN 0.805 nan 8.250 nan 0.000 0.440 663 S N -0.934 114.678 115.700 -0.148 0.000 2.625 663 S HA 0.576 5.047 4.470 0.001 0.000 0.271 663 S C -1.133 173.324 174.600 -0.238 0.000 1.161 663 S CA -1.117 57.014 58.200 -0.115 0.000 0.820 663 S CB 1.054 64.253 63.200 -0.001 0.000 1.137 663 S HN -0.022 nan 8.310 nan 0.000 0.470 664 F N 0.662 120.686 119.950 0.123 0.000 2.546 664 F HA 0.800 5.327 4.527 0.001 0.000 0.320 664 F C 0.712 176.596 175.800 0.139 0.000 1.076 664 F CA -0.546 57.561 58.000 0.179 0.000 0.928 664 F CB 1.934 41.038 39.000 0.173 0.000 1.189 664 F HN 0.981 nan 8.300 nan 0.000 0.465 665 A N 2.665 125.713 122.820 0.379 0.000 2.371 665 A HA 0.324 4.644 4.320 0.001 0.000 0.257 665 A C 1.586 179.325 177.584 0.258 0.000 1.089 665 A CA -0.386 51.801 52.037 0.250 0.000 0.794 665 A CB 0.455 19.571 19.000 0.193 0.000 1.029 665 A HN 0.995 nan 8.150 nan 0.000 0.488 666 R N 1.195 121.800 120.500 0.175 0.000 2.080 666 R HA -0.155 4.185 4.340 0.001 0.000 0.236 666 R C 1.450 177.828 176.300 0.129 0.000 1.137 666 R CA 2.301 58.482 56.100 0.136 0.000 0.943 666 R CB -0.393 29.972 30.300 0.108 0.000 0.846 666 R HN 0.834 nan 8.270 nan 0.000 0.431 667 I N -0.410 120.248 120.570 0.147 0.000 2.315 667 I HA -0.223 3.947 4.170 0.001 0.000 0.248 667 I C 2.440 178.647 176.117 0.151 0.000 1.117 667 I CA 1.276 62.661 61.300 0.142 0.000 1.404 667 I CB -0.420 37.663 38.000 0.139 0.000 1.071 667 I HN 0.312 nan 8.210 nan 0.000 0.419 668 H N 0.975 120.104 119.070 0.099 0.000 2.387 668 H HA -0.189 4.368 4.556 0.001 0.000 0.299 668 H C 2.122 177.467 175.328 0.028 0.000 1.090 668 H CA 1.923 58.032 56.048 0.103 0.000 1.332 668 H CB 0.049 29.913 29.762 0.171 0.000 1.386 668 H HN 0.328 nan 8.280 nan 0.000 0.516 669 E N -0.909 119.213 120.200 -0.129 0.000 2.077 669 E HA -0.155 4.195 4.350 0.001 0.000 0.193 669 E C 1.775 178.206 176.600 -0.282 0.000 0.989 669 E CA 1.631 57.784 56.400 -0.411 0.000 0.800 669 E CB 0.060 29.566 29.700 -0.323 0.000 0.746 669 E HN 0.504 nan 8.360 nan 0.000 0.452 670 T N 0.714 115.202 114.554 -0.109 0.000 2.746 670 T HA -0.132 4.218 4.350 0.001 0.000 0.267 670 T C 1.514 176.189 174.700 -0.041 0.000 1.039 670 T CA 1.559 63.637 62.100 -0.036 0.000 1.142 670 T CB -0.432 68.474 68.868 0.065 0.000 0.866 670 T HN 0.315 nan 8.240 nan 0.000 0.444 671 N N 0.811 119.477 118.700 -0.056 0.000 2.149 671 N HA -0.020 4.721 4.740 0.001 0.000 0.188 671 N C 1.824 177.268 175.510 -0.109 0.000 1.019 671 N CA 0.807 53.824 53.050 -0.056 0.000 0.857 671 N CB -0.297 38.195 38.487 0.009 0.000 0.997 671 N HN 0.277 nan 8.380 nan 0.000 0.426 672 L N 1.236 122.321 121.223 -0.230 0.000 2.017 672 L HA -0.166 4.174 4.340 0.001 0.000 0.208 672 L C 2.164 178.985 176.870 -0.083 0.000 1.073 672 L CA 1.320 56.037 54.840 -0.205 0.000 0.745 672 L CB -0.281 41.572 42.059 -0.343 0.000 0.894 672 L HN 0.140 nan 8.230 nan 0.000 0.432 673 K N -0.400 119.949 120.400 -0.085 0.000 2.097 673 K HA -0.133 4.187 4.320 0.001 0.000 0.205 673 K C 2.133 178.882 176.600 0.248 0.000 1.050 673 K CA 0.775 57.097 56.287 0.059 0.000 0.938 673 K CB -0.033 32.353 32.500 -0.189 0.000 0.718 673 K HN 0.062 nan 8.250 nan 0.000 0.442 674 K N 0.821 121.260 120.400 0.065 0.000 2.152 674 K HA -0.108 4.212 4.320 0.001 0.000 0.206 674 K C 1.591 178.134 176.600 -0.095 0.000 1.048 674 K CA 1.257 57.424 56.287 -0.200 0.000 0.933 674 K CB 0.061 32.405 32.500 -0.260 0.000 0.721 674 K HN 0.174 nan 8.250 nan 0.000 0.447 675 Q N -0.597 119.193 119.800 -0.017 0.000 2.222 675 Q HA 0.150 4.491 4.340 0.001 0.000 0.206 675 Q C 0.641 176.610 176.000 -0.051 0.000 0.877 675 Q CA 0.351 56.148 55.803 -0.009 0.000 0.958 675 Q CB 0.521 29.227 28.738 -0.053 0.000 1.075 675 Q HN 0.460 nan 8.270 nan 0.000 0.483 676 G N 0.859 109.708 108.800 0.080 0.000 2.153 676 G HA2 -0.286 3.675 3.960 0.001 0.000 0.252 676 G HA3 -0.286 3.675 3.960 0.001 0.000 0.252 676 G C 0.033 175.021 174.900 0.147 0.000 0.994 676 G CA 0.243 45.424 45.100 0.135 0.000 0.698 676 G HN 0.321 nan 8.290 nan 0.000 0.521 677 L N -0.677 120.604 121.223 0.096 0.000 2.416 677 L HA 0.648 4.989 4.340 0.001 0.000 0.262 677 L C 0.983 177.942 176.870 0.147 0.000 1.093 677 L CA -1.043 53.834 54.840 0.061 0.000 0.801 677 L CB 1.162 43.199 42.059 -0.037 0.000 1.191 677 L HN 0.019 nan 8.230 nan 0.000 0.459 678 L N 3.867 125.111 121.223 0.034 0.000 2.287 678 L HA 0.333 4.673 4.340 0.001 0.000 0.280 678 L C -2.163 174.715 176.870 0.014 0.000 1.055 678 L CA -1.639 53.184 54.840 -0.029 0.000 0.863 678 L CB 0.899 42.788 42.059 -0.283 0.000 1.245 678 L HN 0.267 nan 8.230 nan 0.000 0.432 679 P HA 0.272 nan 4.420 nan 0.000 0.287 679 P C -0.993 176.388 177.300 0.134 0.000 1.307 679 P CA -0.097 62.950 63.100 -0.089 0.000 0.777 679 P CB 1.002 32.301 31.700 -0.669 0.000 0.883 680 L N 3.394 124.756 121.223 0.231 0.000 2.362 680 L HA 0.600 4.941 4.340 0.001 0.000 0.271 680 L C 0.856 177.782 176.870 0.094 0.000 1.002 680 L CA -0.604 54.318 54.840 0.135 0.000 0.818 680 L CB 2.410 44.441 42.059 -0.046 0.000 1.298 680 L HN 0.307 nan 8.230 nan 0.000 0.420 681 T N -2.033 112.552 114.554 0.053 0.000 2.918 681 T HA 0.598 4.948 4.350 0.001 0.000 0.286 681 T C -0.298 174.330 174.700 -0.119 0.000 1.026 681 T CA -0.654 61.402 62.100 -0.073 0.000 1.031 681 T CB 1.090 69.998 68.868 0.067 0.000 1.046 681 T HN 0.083 nan 8.240 nan 0.000 0.479 682 F N 1.237 121.199 119.950 0.021 0.000 2.578 682 F HA 0.420 4.948 4.527 0.001 0.000 0.376 682 F C 1.786 177.596 175.800 0.017 0.000 1.085 682 F CA -0.483 57.529 58.000 0.019 0.000 1.260 682 F CB 0.129 39.141 39.000 0.020 0.000 1.095 682 F HN 0.875 nan 8.300 nan 0.000 0.573 683 A N 1.588 124.522 122.820 0.190 0.000 1.969 683 A HA -0.123 4.197 4.320 0.001 0.000 0.218 683 A C 0.724 178.372 177.584 0.107 0.000 1.169 683 A CA 1.563 53.666 52.037 0.111 0.000 0.635 683 A CB -0.369 18.677 19.000 0.075 0.000 0.810 683 A HN 0.650 nan 8.150 nan 0.000 0.445 684 D N -1.574 118.901 120.400 0.124 0.000 2.469 684 D HA 0.287 4.927 4.640 0.001 0.000 0.251 684 D C -2.017 174.299 176.300 0.028 0.000 1.173 684 D CA -2.297 51.739 54.000 0.059 0.000 0.882 684 D CB 1.481 42.296 40.800 0.025 0.000 1.129 684 D HN -0.033 nan 8.370 nan 0.000 0.549 685 P HA -0.183 nan 4.420 nan 0.000 0.221 685 P C 0.989 178.164 177.300 -0.209 0.000 1.141 685 P CA 0.763 63.817 63.100 -0.077 0.000 0.794 685 P CB 0.229 31.909 31.700 -0.033 0.000 0.764 686 A N 0.032 122.769 122.820 -0.138 0.000 2.119 686 A HA -0.122 4.199 4.320 0.001 0.000 0.217 686 A C 1.796 179.272 177.584 -0.179 0.000 1.153 686 A CA 1.221 53.185 52.037 -0.121 0.000 0.692 686 A CB -0.942 18.020 19.000 -0.064 0.000 0.799 686 A HN 0.042 nan 8.150 nan 0.000 0.458 687 D N -1.519 118.719 120.400 -0.270 0.000 2.351 687 D HA -0.150 4.490 4.640 0.001 0.000 0.216 687 D C 1.280 177.245 176.300 -0.559 0.000 0.968 687 D CA 0.833 54.641 54.000 -0.321 0.000 0.899 687 D CB -0.365 40.327 40.800 -0.180 0.000 0.907 687 D HN 0.708 nan 8.370 nan 0.000 0.514 688 Y N 1.588 121.289 120.300 -0.997 0.000 2.333 688 Y HA -0.170 4.381 4.550 0.001 0.000 0.290 688 Y C 1.538 177.239 175.900 -0.332 0.000 1.144 688 Y CA 1.248 58.885 58.100 -0.773 0.000 1.228 688 Y CB -0.047 38.042 38.460 -0.617 0.000 0.985 688 Y HN -0.075 nan 8.280 nan 0.000 0.542 689 N N 0.325 118.943 118.700 -0.136 0.000 2.494 689 N HA -0.071 4.669 4.740 0.001 0.000 0.182 689 N C 1.168 176.577 175.510 -0.168 0.000 1.076 689 N CA 0.845 53.828 53.050 -0.112 0.000 0.908 689 N CB -0.070 38.414 38.487 -0.005 0.000 0.967 689 N HN 0.487 nan 8.380 nan 0.000 0.449 690 K N 0.259 120.541 120.400 -0.197 0.000 2.365 690 K HA 0.203 4.523 4.320 0.001 0.000 0.197 690 K C 0.377 176.760 176.600 -0.362 0.000 1.042 690 K CA 0.382 56.576 56.287 -0.156 0.000 0.987 690 K CB 0.659 33.132 32.500 -0.045 0.000 0.779 690 K HN 0.101 nan 8.250 nan 0.000 0.484 691 I N 1.668 121.956 120.570 -0.470 0.000 2.321 691 I HA 0.147 4.317 4.170 0.001 0.000 0.291 691 I C -0.562 175.171 176.117 -0.641 0.000 0.998 691 I CA -0.721 60.305 61.300 -0.457 0.000 1.227 691 I CB 1.076 38.950 38.000 -0.211 0.000 1.368 691 I HN 0.073 nan 8.210 nan 0.000 0.466 692 H N 6.136 125.196 119.070 -0.018 0.000 2.529 692 H HA 0.282 4.838 4.556 0.001 0.000 0.348 692 H C -1.870 173.447 175.328 -0.017 0.000 1.152 692 H CA -1.883 54.155 56.048 -0.017 0.000 1.202 692 H CB 0.894 30.673 29.762 0.030 0.000 1.562 692 H HN 0.308 nan 8.280 nan 0.000 0.515 693 P HA -0.244 nan 4.420 nan 0.000 0.218 693 P C 1.419 178.745 177.300 0.044 0.000 1.150 693 P CA 0.977 64.105 63.100 0.047 0.000 0.841 693 P CB 0.302 32.035 31.700 0.054 0.000 0.784 694 V N -1.241 118.719 119.914 0.077 0.000 3.129 694 V HA -0.027 4.094 4.120 0.001 0.000 0.259 694 V C 0.377 176.499 176.094 0.047 0.000 1.116 694 V CA 0.848 63.180 62.300 0.053 0.000 1.127 694 V CB -0.728 31.131 31.823 0.060 0.000 0.742 694 V HN 0.023 nan 8.190 nan 0.000 0.474 695 D N 1.342 121.778 120.400 0.060 0.000 2.362 695 D HA 0.270 4.910 4.640 0.001 0.000 0.242 695 D C -0.015 176.262 176.300 -0.038 0.000 1.132 695 D CA 0.163 54.165 54.000 0.003 0.000 0.907 695 D CB 0.654 41.428 40.800 -0.043 0.000 1.195 695 D HN 0.164 nan 8.370 nan 0.000 0.429 696 K N 0.953 121.316 120.400 -0.061 0.000 2.208 696 K HA 0.587 4.907 4.320 0.001 0.000 0.247 696 K C -0.325 176.234 176.600 -0.069 0.000 0.953 696 K CA -0.693 55.560 56.287 -0.056 0.000 0.837 696 K CB 1.704 34.175 32.500 -0.047 0.000 1.131 696 K HN 0.330 nan 8.250 nan 0.000 0.431 697 L N 0.810 122.000 121.223 -0.054 0.000 2.381 697 L HA 0.492 4.832 4.340 0.001 0.000 0.268 697 L C -0.202 176.639 176.870 -0.048 0.000 0.997 697 L CA -0.860 53.946 54.840 -0.057 0.000 0.818 697 L CB 2.240 44.270 42.059 -0.049 0.000 1.310 697 L HN 0.428 nan 8.230 nan 0.000 0.416 698 T N 3.395 117.920 114.554 -0.049 0.000 2.779 698 T HA 0.525 4.875 4.350 0.001 0.000 0.280 698 T C -0.227 174.439 174.700 -0.056 0.000 0.987 698 T CA -0.400 61.673 62.100 -0.044 0.000 0.966 698 T CB 1.294 70.141 68.868 -0.034 0.000 0.933 698 T HN 0.154 nan 8.240 nan 0.000 0.442 699 I N 3.655 124.183 120.570 -0.071 0.000 2.331 699 I HA 0.381 4.551 4.170 0.001 0.000 0.292 699 I C 0.329 176.388 176.117 -0.096 0.000 0.998 699 I CA -0.497 60.737 61.300 -0.110 0.000 1.267 699 I CB 1.100 38.996 38.000 -0.173 0.000 1.386 699 I HN 0.662 nan 8.210 nan 0.000 0.476 700 Q N 3.442 123.185 119.800 -0.094 0.000 2.387 700 Q HA 0.596 4.937 4.340 0.001 0.000 0.273 700 Q C 0.371 176.319 176.000 -0.087 0.000 1.089 700 Q CA -0.278 55.487 55.803 -0.064 0.000 0.824 700 Q CB 2.126 30.841 28.738 -0.039 0.000 1.367 700 Q HN 0.906 nan 8.270 nan 0.000 0.443 701 G N 2.572 111.341 108.800 -0.052 0.000 2.130 701 G HA2 -0.176 3.784 3.960 0.001 0.000 0.216 701 G HA3 -0.176 3.784 3.960 0.001 0.000 0.216 701 G C 0.198 175.042 174.900 -0.094 0.000 0.999 701 G CA 0.067 45.138 45.100 -0.048 0.000 0.686 701 G HN 0.494 nan 8.290 nan 0.000 0.515 702 L N -0.640 120.523 121.223 -0.100 0.000 2.291 702 L HA 0.112 4.452 4.340 0.001 0.000 0.214 702 L C 2.671 179.571 176.870 0.049 0.000 1.120 702 L CA 2.139 56.852 54.840 -0.212 0.000 0.799 702 L CB -0.765 41.198 42.059 -0.159 0.000 0.925 702 L HN 0.284 nan 8.230 nan 0.000 0.446 703 K N 0.864 121.394 120.400 0.218 0.000 2.147 703 K HA -0.138 4.183 4.320 0.001 0.000 0.205 703 K C 0.442 177.150 176.600 0.180 0.000 1.049 703 K CA 1.160 57.623 56.287 0.293 0.000 0.936 703 K CB -0.212 32.406 32.500 0.197 0.000 0.722 703 K HN 0.464 nan 8.250 nan 0.000 0.446 704 D N -0.919 119.547 120.400 0.110 0.000 2.980 704 D HA 0.030 4.670 4.640 0.001 0.000 0.333 704 D C -0.588 175.767 176.300 0.092 0.000 1.356 704 D CA -0.633 53.418 54.000 0.084 0.000 0.847 704 D CB -0.314 40.521 40.800 0.059 0.000 1.122 704 D HN -0.142 nan 8.370 nan 0.000 0.475 705 F N 2.400 122.264 119.950 -0.144 0.000 2.608 705 F HA 0.417 4.944 4.527 0.001 0.000 0.380 705 F C -0.036 175.652 175.800 -0.187 0.000 1.083 705 F CA -1.121 56.715 58.000 -0.274 0.000 1.266 705 F CB 0.113 38.829 39.000 -0.473 0.000 1.076 705 F HN 0.292 nan 8.300 nan 0.000 0.574 706 A N 7.159 129.987 122.820 0.013 0.000 2.574 706 A HA 0.648 4.968 4.320 0.001 0.000 0.297 706 A C -2.961 174.670 177.584 0.078 0.000 1.062 706 A CA -1.733 50.273 52.037 -0.051 0.000 0.686 706 A CB 1.375 20.385 19.000 0.017 0.000 1.285 706 A HN 0.473 nan 8.150 nan 0.000 0.403 707 P HA 0.289 nan 4.420 nan 0.000 0.260 707 P C 1.128 178.451 177.300 0.037 0.000 1.185 707 P CA 2.264 65.411 63.100 0.078 0.000 0.763 707 P CB 0.565 32.268 31.700 0.005 0.000 0.776 708 G N 2.252 111.023 108.800 -0.048 0.000 2.253 708 G HA2 -0.264 3.696 3.960 0.001 0.000 0.251 708 G HA3 -0.264 3.696 3.960 0.001 0.000 0.251 708 G C 0.244 175.106 174.900 -0.062 0.000 0.998 708 G CA -0.121 44.926 45.100 -0.088 0.000 0.621 708 G HN 0.668 nan 8.290 nan 0.000 0.524 709 K N 2.155 122.575 120.400 0.033 0.000 2.248 709 K HA 0.450 4.770 4.320 0.001 0.000 0.281 709 K C -2.074 174.603 176.600 0.129 0.000 1.054 709 K CA -1.865 54.467 56.287 0.074 0.000 0.903 709 K CB 1.657 34.218 32.500 0.100 0.000 1.077 709 K HN 0.154 nan 8.250 nan 0.000 0.474 710 P HA 0.066 nan 4.420 nan 0.000 0.272 710 P C -0.580 176.765 177.300 0.075 0.000 1.240 710 P CA -0.176 62.969 63.100 0.075 0.000 0.791 710 P CB 0.789 32.505 31.700 0.026 0.000 0.978 711 L N 0.952 122.197 121.223 0.037 0.000 2.325 711 L HA 0.413 4.753 4.340 0.001 0.000 0.278 711 L C 0.887 177.730 176.870 -0.045 0.000 1.023 711 L CA -0.907 53.898 54.840 -0.057 0.000 0.811 711 L CB 1.330 43.277 42.059 -0.187 0.000 1.249 711 L HN 0.245 nan 8.230 nan 0.000 0.431 712 K N 1.463 121.832 120.400 -0.051 0.000 2.234 712 K HA 0.306 4.626 4.320 0.001 0.000 0.282 712 K C -0.935 175.638 176.600 -0.046 0.000 1.039 712 K CA -0.332 55.935 56.287 -0.032 0.000 0.928 712 K CB 1.338 33.824 32.500 -0.023 0.000 1.039 712 K HN 0.496 nan 8.250 nan 0.000 0.470 713 C N 5.692 124.975 119.300 -0.028 0.000 2.319 713 C HA 0.499 4.959 4.460 0.001 0.000 0.323 713 C C -0.586 174.391 174.990 -0.022 0.000 1.277 713 C CA -0.894 58.104 59.018 -0.034 0.000 1.517 713 C CB -0.665 27.061 27.740 -0.024 0.000 2.206 713 C HN 0.700 nan 8.230 nan 0.000 0.486 714 I N 7.578 128.128 120.570 -0.033 0.000 2.301 714 I HA 0.340 4.510 4.170 0.001 0.000 0.292 714 I C 0.344 176.423 176.117 -0.063 0.000 1.046 714 I CA 0.271 61.550 61.300 -0.035 0.000 1.282 714 I CB 0.820 38.802 38.000 -0.030 0.000 1.409 714 I HN 0.508 nan 8.210 nan 0.000 0.484 715 I N 7.062 127.578 120.570 -0.090 0.000 2.337 715 I HA 0.169 4.340 4.170 0.001 0.000 0.291 715 I C 0.262 176.217 176.117 -0.270 0.000 1.046 715 I CA -0.413 60.771 61.300 -0.193 0.000 1.324 715 I CB 0.141 38.001 38.000 -0.234 0.000 1.409 715 I HN 0.426 nan 8.210 nan 0.000 0.494 716 K N 6.134 126.399 120.400 -0.224 0.000 2.268 716 K HA 0.326 4.646 4.320 0.001 0.000 0.276 716 K C -0.430 176.059 176.600 -0.185 0.000 1.080 716 K CA -0.516 55.677 56.287 -0.157 0.000 0.910 716 K CB 0.459 32.916 32.500 -0.073 0.000 1.163 716 K HN 0.437 nan 8.250 nan 0.000 0.465 717 H N 2.266 121.355 119.070 0.031 0.000 2.551 717 H HA 0.053 4.610 4.556 0.001 0.000 0.358 717 H C -1.694 173.647 175.328 0.022 0.000 1.151 717 H CA -2.123 53.950 56.048 0.042 0.000 1.374 717 H CB 1.007 30.798 29.762 0.049 0.000 1.473 717 H HN 0.377 nan 8.280 nan 0.000 0.574 718 P HA -0.142 nan 4.420 nan 0.000 0.217 718 P C 0.848 178.180 177.300 0.053 0.000 1.150 718 P CA 1.269 64.411 63.100 0.069 0.000 0.832 718 P CB 0.197 31.928 31.700 0.052 0.000 0.787 719 N N -0.922 117.813 118.700 0.059 0.000 2.567 719 N HA 0.030 4.771 4.740 0.001 0.000 0.195 719 N C 1.261 176.798 175.510 0.044 0.000 1.242 719 N CA 1.046 54.117 53.050 0.036 0.000 0.884 719 N CB -1.250 37.246 38.487 0.015 0.000 1.007 719 N HN 0.217 nan 8.380 nan 0.000 0.450 720 G N -1.482 107.353 108.800 0.058 0.000 2.284 720 G HA2 -0.309 3.652 3.960 0.001 0.000 0.247 720 G HA3 -0.309 3.652 3.960 0.001 0.000 0.247 720 G C 0.237 175.177 174.900 0.067 0.000 1.012 720 G CA 0.439 45.568 45.100 0.048 0.000 0.618 720 G HN 0.487 nan 8.290 nan 0.000 0.521 721 T N 2.402 117.015 114.554 0.098 0.000 2.902 721 T HA 0.451 4.801 4.350 0.001 0.000 0.301 721 T C 0.388 175.208 174.700 0.201 0.000 1.012 721 T CA 0.658 62.838 62.100 0.133 0.000 1.151 721 T CB 1.061 70.000 68.868 0.117 0.000 0.946 721 T HN 0.556 nan 8.240 nan 0.000 0.542 722 Q N 1.730 121.611 119.800 0.135 0.000 2.359 722 Q HA 0.583 4.924 4.340 0.001 0.000 0.275 722 Q C -0.582 175.483 176.000 0.108 0.000 1.082 722 Q CA -0.940 54.914 55.803 0.086 0.000 0.849 722 Q CB 2.147 30.903 28.738 0.031 0.000 1.377 722 Q HN 0.616 nan 8.270 nan 0.000 0.452 723 E N 0.627 120.863 120.200 0.061 0.000 2.304 723 E HA 0.304 4.655 4.350 0.001 0.000 0.277 723 E C -1.475 175.142 176.600 0.028 0.000 0.898 723 E CA -0.425 56.017 56.400 0.071 0.000 0.764 723 E CB 2.350 32.125 29.700 0.124 0.000 1.216 723 E HN 0.356 nan 8.360 nan 0.000 0.419 724 T N 3.229 117.799 114.554 0.026 0.000 2.829 724 T HA 0.580 4.931 4.350 0.001 0.000 0.282 724 T C 0.139 174.856 174.700 0.029 0.000 0.990 724 T CA -0.465 61.645 62.100 0.017 0.000 1.028 724 T CB 0.314 69.190 68.868 0.013 0.000 0.951 724 T HN 0.414 nan 8.240 nan 0.000 0.460 725 I N 0.185 120.775 120.570 0.034 0.000 3.002 725 I HA 0.703 4.874 4.170 0.001 0.000 0.310 725 I C -1.323 174.824 176.117 0.049 0.000 1.087 725 I CA -1.529 59.804 61.300 0.056 0.000 1.017 725 I CB 1.715 39.773 38.000 0.096 0.000 1.226 725 I HN 0.389 nan 8.210 nan 0.000 0.443 726 L N 3.529 124.788 121.223 0.061 0.000 2.325 726 L HA 0.617 4.958 4.340 0.001 0.000 0.278 726 L C -0.870 176.035 176.870 0.059 0.000 1.023 726 L CA -0.750 54.117 54.840 0.045 0.000 0.811 726 L CB 1.880 43.962 42.059 0.038 0.000 1.249 726 L HN 0.484 nan 8.230 nan 0.000 0.431 727 L N 2.836 124.074 121.223 0.026 0.000 2.410 727 L HA 0.478 4.819 4.340 0.001 0.000 0.270 727 L C -0.540 176.350 176.870 0.035 0.000 0.983 727 L CA -0.708 54.136 54.840 0.007 0.000 0.822 727 L CB 2.023 44.045 42.059 -0.062 0.000 1.285 727 L HN 0.573 nan 8.230 nan 0.000 0.409 728 N N 0.974 119.698 118.700 0.040 0.000 2.476 728 N HA 0.495 5.236 4.740 0.001 0.000 0.275 728 N C -0.851 174.732 175.510 0.121 0.000 1.190 728 N CA -0.448 52.622 53.050 0.033 0.000 0.977 728 N CB 1.372 39.862 38.487 0.005 0.000 1.200 728 N HN 0.653 nan 8.380 nan 0.000 0.515 729 H N -4.115 115.022 119.070 0.112 0.000 3.008 729 H HA 0.471 5.027 4.556 0.001 0.000 0.354 729 H C -0.393 175.058 175.328 0.205 0.000 1.252 729 H CA -0.885 55.287 56.048 0.206 0.000 1.117 729 H CB 0.838 30.784 29.762 0.307 0.000 1.857 729 H HN 0.390 nan 8.280 nan 0.000 0.547 730 T N -0.889 113.854 114.554 0.315 0.000 3.293 730 T HA 0.296 4.647 4.350 0.001 0.000 0.276 730 T C -0.616 174.236 174.700 0.254 0.000 1.003 730 T CA -0.483 61.730 62.100 0.189 0.000 0.916 730 T CB -1.011 67.931 68.868 0.125 0.000 1.134 730 T HN 0.274 nan 8.240 nan 0.000 0.530 731 F N 4.444 124.521 119.950 0.212 0.000 2.495 731 F HA 0.374 4.902 4.527 0.001 0.000 0.365 731 F C 1.092 176.820 175.800 -0.121 0.000 1.090 731 F CA -0.949 57.010 58.000 -0.068 0.000 1.235 731 F CB 0.410 39.235 39.000 -0.293 0.000 1.119 731 F HN 0.361 nan 8.300 nan 0.000 0.562 732 N N 1.491 120.103 118.700 -0.147 0.000 2.538 732 N HA 0.117 4.857 4.740 0.001 0.000 0.292 732 N C 0.621 175.981 175.510 -0.249 0.000 1.262 732 N CA -0.458 52.502 53.050 -0.150 0.000 0.976 732 N CB 0.345 38.725 38.487 -0.178 0.000 1.161 732 N HN 0.441 nan 8.380 nan 0.000 0.598 733 E N -0.614 119.456 120.200 -0.217 0.000 2.274 733 E HA -0.047 4.304 4.350 0.001 0.000 0.194 733 E C 1.092 177.523 176.600 -0.281 0.000 0.996 733 E CA 0.766 57.028 56.400 -0.230 0.000 0.840 733 E CB -0.408 29.202 29.700 -0.150 0.000 0.772 733 E HN 0.683 nan 8.360 nan 0.000 0.491 734 T N 1.268 115.613 114.554 -0.349 0.000 2.674 734 T HA -0.182 4.168 4.350 0.001 0.000 0.265 734 T C 1.861 176.051 174.700 -0.850 0.000 1.039 734 T CA 1.418 63.248 62.100 -0.450 0.000 1.150 734 T CB -0.102 68.512 68.868 -0.423 0.000 0.864 734 T HN 0.258 nan 8.240 nan 0.000 0.427 735 Q N 0.050 119.226 119.800 -1.040 0.000 2.167 735 Q HA 0.063 4.403 4.340 0.001 0.000 0.202 735 Q C 2.311 178.110 176.000 -0.336 0.000 0.970 735 Q CA 0.980 56.054 55.803 -1.216 0.000 0.855 735 Q CB -0.293 27.813 28.738 -1.053 0.000 0.911 735 Q HN 0.519 nan 8.270 nan 0.000 0.438 736 I N 0.781 121.206 120.570 -0.241 0.000 2.394 736 I HA -0.229 3.941 4.170 0.001 0.000 0.251 736 I C 2.070 178.167 176.117 -0.034 0.000 1.136 736 I CA 0.738 61.901 61.300 -0.228 0.000 1.425 736 I CB -0.144 37.525 38.000 -0.552 0.000 1.079 736 I HN 0.166 nan 8.210 nan 0.000 0.425 737 E N 0.352 120.500 120.200 -0.087 0.000 2.118 737 E HA -0.223 4.127 4.350 0.001 0.000 0.195 737 E C 1.964 178.693 176.600 0.216 0.000 0.992 737 E CA 1.286 57.711 56.400 0.043 0.000 0.804 737 E CB -0.249 29.460 29.700 0.016 0.000 0.741 737 E HN 0.533 nan 8.360 nan 0.000 0.458 738 W N 0.389 121.735 121.300 0.076 0.000 2.355 738 W HA -0.145 4.516 4.660 0.001 0.000 0.309 738 W C 2.273 178.864 176.519 0.120 0.000 1.206 738 W CA 0.227 57.622 57.345 0.084 0.000 1.284 738 W CB -1.653 27.852 29.460 0.075 0.000 1.145 738 W HN 0.083 nan 8.180 nan 0.000 0.502 739 F N 1.742 121.869 119.950 0.296 0.000 2.069 739 F HA -0.206 4.322 4.527 0.001 0.000 0.298 739 F C 2.456 178.309 175.800 0.089 0.000 1.113 739 F CA 2.088 60.183 58.000 0.158 0.000 1.214 739 F CB -0.597 38.450 39.000 0.078 0.000 0.978 739 F HN -0.245 nan 8.300 nan 0.000 0.474 740 R N 0.236 120.683 120.500 -0.088 0.000 2.081 740 R HA -0.101 4.240 4.340 0.001 0.000 0.235 740 R C 2.356 178.670 176.300 0.023 0.000 1.131 740 R CA 1.268 57.344 56.100 -0.041 0.000 0.960 740 R CB -0.972 29.427 30.300 0.165 0.000 0.856 740 R HN 0.405 nan 8.270 nan 0.000 0.436 741 A N -0.199 122.657 122.820 0.060 0.000 2.121 741 A HA 0.092 4.412 4.320 0.001 0.000 0.218 741 A C 1.684 179.294 177.584 0.044 0.000 1.154 741 A CA 1.405 53.482 52.037 0.067 0.000 0.679 741 A CB -0.201 18.860 19.000 0.101 0.000 0.795 741 A HN 0.531 nan 8.150 nan 0.000 0.458 742 G N -1.770 107.035 108.800 0.008 0.000 2.313 742 G HA2 -0.112 3.848 3.960 0.001 0.000 0.215 742 G HA3 -0.112 3.848 3.960 0.001 0.000 0.215 742 G C 0.406 175.368 174.900 0.103 0.000 1.023 742 G CA 0.550 45.671 45.100 0.035 0.000 0.626 742 G HN 2.097 nan 8.290 nan 0.000 0.503 743 S N -1.776 113.994 115.700 0.117 0.000 2.643 743 S HA 0.792 5.262 4.470 0.001 0.000 0.266 743 S C 0.904 175.513 174.600 0.014 0.000 1.130 743 S CA 0.611 58.875 58.200 0.106 0.000 0.817 743 S CB 0.867 64.171 63.200 0.173 0.000 1.107 743 S HN 1.795 nan 8.310 nan 0.000 0.471 744 A N 0.291 122.979 122.820 -0.219 0.000 1.898 744 A HA 0.082 4.402 4.320 0.001 0.000 0.216 744 A C 2.017 179.439 177.584 -0.271 0.000 1.181 744 A CA 1.771 53.464 52.037 -0.572 0.000 0.620 744 A CB -0.990 17.283 19.000 -1.211 0.000 0.819 744 A HN 1.084 nan 8.150 nan 0.000 0.442 745 L N 0.450 121.562 121.223 -0.185 0.000 2.046 745 L HA -0.167 4.173 4.340 0.001 0.000 0.208 745 L C 1.775 178.604 176.870 -0.070 0.000 1.077 745 L CA 2.127 56.896 54.840 -0.119 0.000 0.747 745 L CB -0.727 41.270 42.059 -0.104 0.000 0.896 745 L HN 0.330 nan 8.230 nan 0.000 0.432 746 N N -0.648 118.034 118.700 -0.031 0.000 2.223 746 N HA -0.158 4.582 4.740 0.001 0.000 0.185 746 N C 1.964 177.482 175.510 0.014 0.000 1.016 746 N CA 0.695 53.743 53.050 -0.004 0.000 0.863 746 N CB -0.364 38.140 38.487 0.029 0.000 0.983 746 N HN 0.234 nan 8.380 nan 0.000 0.429 747 R N 1.043 121.564 120.500 0.036 0.000 2.062 747 R HA 0.065 4.405 4.340 0.001 0.000 0.229 747 R C 2.019 178.350 176.300 0.050 0.000 1.128 747 R CA 0.762 56.910 56.100 0.080 0.000 0.960 747 R CB -0.682 29.729 30.300 0.185 0.000 0.855 747 R HN 0.300 nan 8.270 nan 0.000 0.432 748 M N 0.656 120.265 119.600 0.015 0.000 2.149 748 M HA -0.189 4.292 4.480 0.001 0.000 0.261 748 M C 1.685 177.977 176.300 -0.013 0.000 1.064 748 M CA 1.760 57.060 55.300 0.001 0.000 1.102 748 M CB -0.059 32.520 32.600 -0.035 0.000 1.369 748 M HN -0.023 nan 8.290 nan 0.000 0.408 749 K N -0.002 120.382 120.400 -0.027 0.000 2.148 749 K HA -0.141 4.179 4.320 0.001 0.000 0.204 749 K C 1.703 178.295 176.600 -0.012 0.000 1.050 749 K CA 1.466 57.734 56.287 -0.032 0.000 0.942 749 K CB -0.131 32.344 32.500 -0.043 0.000 0.724 749 K HN 0.559 nan 8.250 nan 0.000 0.446 750 E N 1.055 121.258 120.200 0.004 0.000 2.051 750 E HA -0.134 4.216 4.350 0.001 0.000 0.192 750 E C 1.922 178.530 176.600 0.013 0.000 0.991 750 E CA 0.827 57.234 56.400 0.012 0.000 0.799 750 E CB -0.104 29.612 29.700 0.026 0.000 0.748 750 E HN 0.194 nan 8.360 nan 0.000 0.449 751 L N 1.032 122.267 121.223 0.020 0.000 2.349 751 L HA -0.184 4.156 4.340 0.001 0.000 0.220 751 L C 1.016 177.893 176.870 0.010 0.000 1.130 751 L CA 0.760 55.612 54.840 0.021 0.000 0.791 751 L CB -0.266 41.811 42.059 0.031 0.000 0.918 751 L HN 0.089 nan 8.230 nan 0.000 0.444 752 Q N 1.145 120.944 119.800 -0.000 0.000 3.254 752 Q HA -0.014 4.326 4.340 0.001 0.000 0.315 752 Q C 0.569 176.566 176.000 -0.005 0.000 1.405 752 Q CA -0.150 55.648 55.803 -0.007 0.000 0.966 752 Q CB -0.147 28.578 28.738 -0.022 0.000 1.706 752 Q HN 0.343 nan 8.270 nan 0.000 0.525 753 Q N -0.280 119.521 119.800 0.001 0.000 2.276 753 Q HA -0.347 3.994 4.340 0.001 0.000 0.228 753 Q C -0.679 175.321 176.000 -0.001 0.000 0.914 753 Q CA 1.869 57.674 55.803 0.002 0.000 1.223 753 Q CB -1.442 27.298 28.738 0.002 0.000 1.821 753 Q HN 0.449 nan 8.270 nan 0.000 0.563 754 K N 0.000 120.398 120.400 -0.003 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.284 56.287 -0.005 0.000 0.838 754 K CB 0.000 32.495 32.500 -0.008 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543