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 1nit_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 DSGCHYDQLI 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 IGAINSENRK DATA SEQUENCE ANSVRNAVTQ EFGPVPDTAR YYKQHGIRWV VIGDENYGEG SSREHRALEP DATA SEQUENCE RFLGGRAIIT KSFARIHETN LKKQGLLPLT FADPADYNKI HPVDKLTIQG DATA SEQUENCE LKDFAPGKPL TCIIKHPNGT 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 0.000 176.290 176.300 -0.017 0.000 0.893 2 R CA 0.000 56.124 56.100 0.040 0.000 0.921 2 R CB 0.000 30.350 30.300 0.083 0.000 0.687 3 A N 1.458 124.276 122.820 -0.003 0.000 2.425 3 A HA 0.407 4.728 4.320 0.001 0.000 0.242 3 A C -0.449 177.003 177.584 -0.221 0.000 1.077 3 A CA 0.277 52.274 52.037 -0.066 0.000 0.781 3 A CB 0.133 19.135 19.000 0.004 0.000 1.020 3 A HN 0.374 nan 8.150 nan 0.000 0.494 4 K N 1.532 121.725 120.400 -0.345 0.000 2.533 4 K HA 0.420 4.740 4.320 0.001 0.000 0.207 4 K C -1.412 174.923 176.600 -0.442 0.000 1.052 4 K CA -0.136 55.677 56.287 -0.791 0.000 1.030 4 K CB 1.154 33.133 32.500 -0.867 0.000 1.522 4 K HN 0.396 nan 8.250 nan 0.000 0.543 5 V N 2.170 121.960 119.914 -0.207 0.000 2.370 5 V HA 0.372 4.492 4.120 0.001 0.000 0.283 5 V C 0.309 176.448 176.094 0.076 0.000 1.023 5 V CA -0.913 61.351 62.300 -0.059 0.000 0.857 5 V CB 1.324 33.076 31.823 -0.117 0.000 0.985 5 V HN 0.675 nan 8.190 nan 0.000 0.443 6 A N 5.232 128.122 122.820 0.116 0.000 2.386 6 A HA 0.420 4.741 4.320 0.001 0.000 0.248 6 A C 1.173 178.682 177.584 -0.126 0.000 1.082 6 A CA -0.144 51.909 52.037 0.027 0.000 0.789 6 A CB 0.234 19.219 19.000 -0.024 0.000 1.025 6 A HN 0.907 nan 8.150 nan 0.000 0.490 7 M N 0.919 120.431 119.600 -0.146 0.000 2.296 7 M HA -0.048 4.432 4.480 0.001 0.000 0.265 7 M C 0.699 176.974 176.300 -0.041 0.000 1.064 7 M CA 1.607 56.822 55.300 -0.140 0.000 1.109 7 M CB -0.292 32.327 32.600 0.032 0.000 1.396 7 M HN 0.938 nan 8.290 nan 0.000 0.430 8 S N -2.905 112.765 115.700 -0.050 0.000 2.636 8 S HA 0.275 4.745 4.470 0.001 0.000 0.268 8 S C 0.011 174.504 174.600 -0.177 0.000 1.159 8 S CA -1.045 57.079 58.200 -0.126 0.000 0.815 8 S CB 0.517 63.781 63.200 0.106 0.000 1.130 8 S HN 0.160 nan 8.310 nan 0.000 0.471 9 H N 0.161 118.949 119.070 -0.470 0.000 2.546 9 H HA 0.245 4.801 4.556 0.000 0.000 0.277 9 H C 0.605 175.496 175.328 -0.728 0.000 1.004 9 H CA 0.771 56.428 56.048 -0.651 0.000 1.231 9 H CB -0.388 28.863 29.762 -0.853 0.000 1.382 9 H HN 0.603 nan 8.280 nan 0.000 0.580 10 F N 0.039 119.981 119.950 -0.013 0.000 2.746 10 F HA 0.203 4.730 4.527 0.000 0.000 0.297 10 F C 0.378 176.157 175.800 -0.034 0.000 1.113 10 F CA 0.051 58.012 58.000 -0.064 0.000 1.367 10 F CB 0.510 39.432 39.000 -0.130 0.000 1.111 10 F HN -0.046 nan 8.300 nan 0.000 0.590 11 E N 1.555 121.784 120.200 0.049 0.000 3.037 11 E HA 0.160 4.510 4.350 0.001 0.000 0.220 11 E C -1.909 174.396 176.600 -0.491 0.000 1.142 11 E CA -1.515 54.772 56.400 -0.188 0.000 0.888 11 E CB 0.782 30.437 29.700 -0.075 0.000 1.329 11 E HN -0.036 nan 8.360 nan 0.000 0.409 12 P HA -0.166 nan 4.420 nan 0.000 0.230 12 P C 0.353 177.474 177.300 -0.299 0.000 1.158 12 P CA 1.171 64.144 63.100 -0.211 0.000 0.769 12 P CB 0.086 31.754 31.700 -0.053 0.000 0.807 13 H N -3.069 115.860 119.070 -0.234 0.000 2.648 13 H HA 0.301 4.857 4.556 0.001 0.000 0.265 13 H C 0.436 175.304 175.328 -0.765 0.000 0.961 13 H CA -0.240 55.533 56.048 -0.459 0.000 1.185 13 H CB -0.309 29.322 29.762 -0.217 0.000 1.449 13 H HN -0.058 nan 8.280 nan 0.000 0.523 14 E N 1.870 121.576 120.200 -0.824 0.000 2.046 14 E HA 0.116 4.466 4.350 0.001 0.000 0.279 14 E C -1.034 175.313 176.600 -0.421 0.000 0.989 14 E CA -0.463 55.668 56.400 -0.448 0.000 0.798 14 E CB 0.556 30.119 29.700 -0.229 0.000 1.086 14 E HN 0.371 nan 8.360 nan 0.000 0.399 15 Y N 1.398 121.659 120.300 -0.065 0.000 2.320 15 Y HA 0.287 4.837 4.550 0.000 0.000 0.324 15 Y C 1.171 176.975 175.900 -0.160 0.000 1.190 15 Y CA -0.941 57.089 58.100 -0.116 0.000 1.215 15 Y CB 0.592 39.001 38.460 -0.085 0.000 1.221 15 Y HN 0.336 nan 8.280 nan 0.000 0.486 16 I N 4.467 124.969 120.570 -0.113 0.000 2.648 16 I HA 0.054 4.224 4.170 0.001 0.000 0.284 16 I C 0.385 176.335 176.117 -0.279 0.000 1.153 16 I CA 0.056 61.154 61.300 -0.336 0.000 1.426 16 I CB 0.355 37.899 38.000 -0.760 0.000 1.381 16 I HN 0.381 nan 8.210 nan 0.000 0.571 17 R N 6.507 126.886 120.500 -0.202 0.000 3.301 17 R HA 0.155 4.496 4.340 0.001 0.000 0.286 17 R C 0.006 176.234 176.300 -0.121 0.000 1.386 17 R CA -0.455 55.570 56.100 -0.124 0.000 1.607 17 R CB -0.173 30.110 30.300 -0.028 0.000 1.305 17 R HN 0.574 nan 8.270 nan 0.000 0.637 18 Y N 1.087 121.176 120.300 -0.351 0.000 2.421 18 Y HA -0.178 4.372 4.550 0.000 0.000 0.292 18 Y C 1.974 177.597 175.900 -0.462 0.000 1.136 18 Y CA 0.838 58.576 58.100 -0.603 0.000 1.255 18 Y CB -0.091 37.533 38.460 -1.394 0.000 0.991 18 Y HN 0.370 nan 8.280 nan 0.000 0.552 19 D N -0.455 119.884 120.400 -0.102 0.000 2.117 19 D HA -0.183 4.458 4.640 0.001 0.000 0.197 19 D C 2.076 178.394 176.300 0.030 0.000 0.987 19 D CA 0.977 55.026 54.000 0.082 0.000 0.829 19 D CB -0.647 40.210 40.800 0.095 0.000 0.961 19 D HN 0.173 nan 8.370 nan 0.000 0.460 20 L N 0.041 121.258 121.223 -0.010 0.000 2.017 20 L HA -0.070 4.270 4.340 0.001 0.000 0.208 20 L C 2.700 179.533 176.870 -0.061 0.000 1.073 20 L CA 0.905 55.730 54.840 -0.025 0.000 0.745 20 L CB -1.062 40.978 42.059 -0.031 0.000 0.894 20 L HN 0.139 nan 8.230 nan 0.000 0.432 21 L N 0.317 121.485 121.223 -0.092 0.000 2.012 21 L HA -0.252 4.088 4.340 0.001 0.000 0.210 21 L C 2.604 179.383 176.870 -0.152 0.000 1.073 21 L CA 2.020 56.783 54.840 -0.129 0.000 0.748 21 L CB -0.446 41.563 42.059 -0.083 0.000 0.891 21 L HN 0.342 nan 8.230 nan 0.000 0.431 22 E N -0.525 119.558 120.200 -0.195 0.000 2.051 22 E HA -0.303 4.047 4.350 0.001 0.000 0.192 22 E C 2.306 178.833 176.600 -0.121 0.000 0.991 22 E CA 1.421 57.621 56.400 -0.334 0.000 0.799 22 E CB -0.236 29.369 29.700 -0.159 0.000 0.748 22 E HN 0.479 nan 8.360 nan 0.000 0.449 23 K N 0.132 120.510 120.400 -0.036 0.000 2.032 23 K HA -0.203 4.117 4.320 0.001 0.000 0.209 23 K C 1.829 178.429 176.600 0.001 0.000 1.048 23 K CA 1.767 58.054 56.287 0.001 0.000 0.927 23 K CB -0.078 32.431 32.500 0.015 0.000 0.712 23 K HN 0.124 nan 8.250 nan 0.000 0.441 24 N N 0.923 119.617 118.700 -0.010 0.000 2.188 24 N HA -0.095 4.645 4.740 0.001 0.000 0.184 24 N C 1.883 177.416 175.510 0.039 0.000 1.018 24 N CA 0.998 54.057 53.050 0.016 0.000 0.858 24 N CB -0.184 38.313 38.487 0.016 0.000 0.989 24 N HN 0.252 nan 8.380 nan 0.000 0.426 25 I N 1.130 121.714 120.570 0.023 0.000 2.226 25 I HA -0.247 3.923 4.170 0.001 0.000 0.245 25 I C 1.493 177.654 176.117 0.074 0.000 1.100 25 I CA 1.204 62.543 61.300 0.065 0.000 1.374 25 I CB -0.123 37.900 38.000 0.038 0.000 1.057 25 I HN 0.024 nan 8.210 nan 0.000 0.413 26 D N 0.745 121.175 120.400 0.050 0.000 2.149 26 D HA -0.091 4.550 4.640 0.001 0.000 0.201 26 D C 2.296 178.624 176.300 0.046 0.000 0.972 26 D CA 1.180 55.216 54.000 0.059 0.000 0.835 26 D CB -0.080 40.755 40.800 0.058 0.000 0.966 26 D HN 0.327 nan 8.370 nan 0.000 0.476 27 I N 0.576 121.168 120.570 0.037 0.000 2.208 27 I HA -0.242 3.928 4.170 0.001 0.000 0.245 27 I C 2.434 178.566 176.117 0.027 0.000 1.097 27 I CA 0.755 62.072 61.300 0.028 0.000 1.363 27 I CB -0.220 37.794 38.000 0.023 0.000 1.051 27 I HN -0.102 nan 8.210 nan 0.000 0.413 28 V N 1.651 121.589 119.914 0.039 0.000 2.379 28 V HA -0.226 3.894 4.120 0.001 0.000 0.245 28 V C 2.541 178.661 176.094 0.043 0.000 1.044 28 V CA 2.154 64.473 62.300 0.032 0.000 1.036 28 V CB -0.756 31.113 31.823 0.076 0.000 0.664 28 V HN 0.533 nan 8.190 nan 0.000 0.453 29 R N 0.069 120.608 120.500 0.066 0.000 2.236 29 R HA -0.050 4.290 4.340 0.001 0.000 0.208 29 R C 1.884 178.207 176.300 0.037 0.000 1.036 29 R CA 0.840 56.976 56.100 0.061 0.000 1.001 29 R CB -0.331 30.014 30.300 0.074 0.000 0.896 29 R HN 0.236 nan 8.270 nan 0.000 0.464 30 K N 0.979 121.398 120.400 0.031 0.000 2.296 30 K HA 0.064 4.384 4.320 0.001 0.000 0.200 30 K C 1.814 178.419 176.600 0.009 0.000 1.048 30 K CA 1.004 57.303 56.287 0.020 0.000 0.966 30 K CB 0.085 32.597 32.500 0.019 0.000 0.754 30 K HN 0.270 nan 8.250 nan 0.000 0.466 31 R N -0.461 120.042 120.500 0.004 0.000 2.090 31 R HA 0.176 4.516 4.340 0.001 0.000 0.219 31 R C 1.828 178.121 176.300 -0.012 0.000 1.100 31 R CA 0.749 56.843 56.100 -0.010 0.000 0.991 31 R CB -0.051 30.234 30.300 -0.024 0.000 0.893 31 R HN 0.086 nan 8.270 nan 0.000 0.443 32 L N 0.338 121.558 121.223 -0.005 0.000 2.354 32 L HA 0.097 4.437 4.340 0.001 0.000 0.212 32 L C 0.023 176.894 176.870 0.003 0.000 1.091 32 L CA -0.022 54.816 54.840 -0.004 0.000 0.828 32 L CB -0.212 41.853 42.059 0.010 0.000 0.973 32 L HN 0.218 nan 8.230 nan 0.000 0.461 33 N N 2.151 120.857 118.700 0.009 0.000 2.714 33 N HA -0.201 4.539 4.740 0.001 0.000 0.252 33 N C -0.244 175.268 175.510 0.003 0.000 1.014 33 N CA 0.983 54.037 53.050 0.007 0.000 0.735 33 N CB -0.721 37.766 38.487 0.000 0.000 0.924 33 N HN 0.607 nan 8.380 nan 0.000 0.540 34 R N -2.171 118.336 120.500 0.011 0.000 2.739 34 R HA 0.677 5.017 4.340 0.001 0.000 0.271 34 R C -3.182 173.125 176.300 0.011 0.000 1.010 34 R CA -1.563 54.539 56.100 0.004 0.000 0.897 34 R CB 0.746 31.047 30.300 0.001 0.000 1.236 34 R HN -0.252 nan 8.270 nan 0.000 0.466 35 P HA 0.104 nan 4.420 nan 0.000 0.269 35 P C -0.908 176.385 177.300 -0.012 0.000 1.209 35 P CA -0.215 62.877 63.100 -0.012 0.000 0.776 35 P CB 0.494 32.171 31.700 -0.039 0.000 0.876 36 L N 1.807 123.026 121.223 -0.006 0.000 2.317 36 L HA 0.397 4.737 4.340 0.001 0.000 0.281 36 L C 1.188 178.017 176.870 -0.067 0.000 1.024 36 L CA -0.786 54.051 54.840 -0.005 0.000 0.810 36 L CB 1.595 43.680 42.059 0.044 0.000 1.240 36 L HN 0.441 nan 8.230 nan 0.000 0.427 37 T N -0.916 113.569 114.554 -0.114 0.000 2.748 37 T HA 0.051 4.401 4.350 0.001 0.000 0.304 37 T C 1.047 175.715 174.700 -0.052 0.000 1.041 37 T CA -0.527 61.496 62.100 -0.127 0.000 1.033 37 T CB 0.841 69.634 68.868 -0.125 0.000 0.995 37 T HN 0.472 nan 8.240 nan 0.000 0.536 38 L N 1.413 122.638 121.223 0.003 0.000 2.042 38 L HA -0.070 4.271 4.340 0.001 0.000 0.210 38 L C 2.746 179.614 176.870 -0.004 0.000 1.076 38 L CA 2.585 57.441 54.840 0.028 0.000 0.749 38 L CB -1.342 40.762 42.059 0.074 0.000 0.893 38 L HN 0.958 nan 8.230 nan 0.000 0.432 39 S N -1.731 113.956 115.700 -0.023 0.000 2.406 39 S HA -0.145 4.326 4.470 0.001 0.000 0.228 39 S C 1.768 176.253 174.600 -0.190 0.000 1.020 39 S CA 0.943 59.109 58.200 -0.057 0.000 0.965 39 S CB -0.632 62.548 63.200 -0.033 0.000 0.798 39 S HN 0.617 nan 8.310 nan 0.000 0.488 40 E N 1.676 121.700 120.200 -0.294 0.000 2.077 40 E HA -0.101 4.250 4.350 0.001 0.000 0.193 40 E C 2.156 178.438 176.600 -0.530 0.000 0.989 40 E CA 1.049 57.021 56.400 -0.714 0.000 0.800 40 E CB -0.142 29.268 29.700 -0.482 0.000 0.746 40 E HN 0.572 nan 8.360 nan 0.000 0.452 41 K N 0.444 120.740 120.400 -0.173 0.000 2.057 41 K HA -0.131 4.189 4.320 0.001 0.000 0.207 41 K C 2.144 178.755 176.600 0.019 0.000 1.049 41 K CA 1.110 57.384 56.287 -0.021 0.000 0.931 41 K CB -0.084 32.449 32.500 0.053 0.000 0.714 41 K HN 0.133 nan 8.250 nan 0.000 0.440 42 I N 0.209 120.792 120.570 0.023 0.000 2.333 42 I HA -0.208 3.962 4.170 0.001 0.000 0.246 42 I C 2.182 178.426 176.117 0.212 0.000 1.106 42 I CA 0.669 62.053 61.300 0.141 0.000 1.411 42 I CB -0.049 38.018 38.000 0.112 0.000 1.082 42 I HN -0.087 nan 8.210 nan 0.000 0.420 43 V N 0.274 120.212 119.914 0.040 0.000 2.270 43 V HA -0.274 3.846 4.120 0.001 0.000 0.245 43 V C 2.277 178.510 176.094 0.232 0.000 1.043 43 V CA 1.801 64.154 62.300 0.089 0.000 1.014 43 V CB -0.713 31.085 31.823 -0.042 0.000 0.645 43 V HN 0.297 nan 8.190 nan 0.000 0.447 44 Y N 1.282 121.653 120.300 0.118 0.000 2.421 44 Y HA 0.062 4.612 4.550 0.001 0.000 0.292 44 Y C 2.485 178.436 175.900 0.085 0.000 1.136 44 Y CA 0.450 58.604 58.100 0.089 0.000 1.255 44 Y CB -1.505 36.990 38.460 0.058 0.000 0.991 44 Y HN 0.270 nan 8.280 nan 0.000 0.552 45 G N -1.586 107.343 108.800 0.215 0.000 2.598 45 G HA2 -0.191 3.769 3.960 0.001 0.000 0.215 45 G HA3 -0.191 3.769 3.960 0.001 0.000 0.215 45 G C 0.726 175.624 174.900 -0.005 0.000 1.131 45 G CA 0.505 45.652 45.100 0.078 0.000 0.785 45 G HN 0.459 nan 8.290 nan 0.000 0.539 46 H N -0.806 118.342 119.070 0.129 0.000 2.542 46 H HA 0.379 4.935 4.556 0.000 0.000 0.283 46 H C 0.656 176.065 175.328 0.136 0.000 1.059 46 H CA -0.601 55.523 56.048 0.126 0.000 1.162 46 H CB 0.277 30.119 29.762 0.134 0.000 1.539 46 H HN 0.129 nan 8.280 nan 0.000 0.543 47 L N 0.741 122.091 121.223 0.212 0.000 2.485 47 L HA -0.045 4.295 4.340 0.001 0.000 0.275 47 L C 1.563 178.505 176.870 0.119 0.000 1.207 47 L CA 0.195 55.130 54.840 0.158 0.000 0.855 47 L CB 0.703 42.830 42.059 0.113 0.000 1.114 47 L HN 0.273 nan 8.230 nan 0.000 0.485 48 D N 0.944 121.410 120.400 0.110 0.000 2.144 48 D HA -0.163 4.477 4.640 0.001 0.000 0.200 48 D C 0.369 176.707 176.300 0.062 0.000 0.978 48 D CA 1.185 55.238 54.000 0.090 0.000 0.833 48 D CB 0.300 41.153 40.800 0.089 0.000 0.961 48 D HN 0.589 nan 8.370 nan 0.000 0.470 49 D N -1.150 119.279 120.400 0.049 0.000 2.405 49 D HA 0.193 4.833 4.640 0.001 0.000 0.264 49 D C -1.994 174.317 176.300 0.018 0.000 1.240 49 D CA -1.624 52.395 54.000 0.031 0.000 0.893 49 D CB 1.459 42.274 40.800 0.024 0.000 1.198 49 D HN -0.069 nan 8.370 nan 0.000 0.514 50 P HA -0.070 nan 4.420 nan 0.000 0.223 50 P C 1.151 178.446 177.300 -0.007 0.000 1.151 50 P CA 0.539 63.645 63.100 0.010 0.000 0.787 50 P CB 0.362 32.080 31.700 0.029 0.000 0.788 51 A N 0.402 123.222 122.820 -0.000 0.000 1.968 51 A HA -0.092 4.229 4.320 0.001 0.000 0.217 51 A C 2.036 179.611 177.584 -0.014 0.000 1.169 51 A CA 1.275 53.309 52.037 -0.005 0.000 0.638 51 A CB -0.707 18.294 19.000 0.003 0.000 0.812 51 A HN 0.171 nan 8.150 nan 0.000 0.446 52 N N -1.199 117.492 118.700 -0.014 0.000 2.273 52 N HA 0.035 4.775 4.740 0.001 0.000 0.192 52 N C 0.437 175.930 175.510 -0.029 0.000 1.132 52 N CA 0.009 53.048 53.050 -0.018 0.000 0.887 52 N CB 0.047 38.528 38.487 -0.010 0.000 1.048 52 N HN 0.516 nan 8.380 nan 0.000 0.490 53 Q N 2.653 122.433 119.800 -0.034 0.000 2.308 53 Q HA -0.056 4.284 4.340 0.001 0.000 0.313 53 Q C -0.633 175.321 176.000 -0.076 0.000 1.075 53 Q CA 0.756 56.530 55.803 -0.049 0.000 0.995 53 Q CB 0.200 28.904 28.738 -0.056 0.000 1.107 53 Q HN 0.136 nan 8.270 nan 0.000 0.380 54 E N 4.261 124.421 120.200 -0.067 0.000 2.257 54 E HA 0.209 4.560 4.350 0.001 0.000 0.278 54 E C -0.521 176.013 176.600 -0.110 0.000 1.049 54 E CA 0.028 56.382 56.400 -0.076 0.000 0.876 54 E CB 0.650 30.317 29.700 -0.055 0.000 1.035 54 E HN 0.560 nan 8.360 nan 0.000 0.419 55 I N 3.674 124.159 120.570 -0.143 0.000 2.390 55 I HA 0.219 4.389 4.170 0.001 0.000 0.283 55 I C -0.240 175.803 176.117 -0.123 0.000 1.016 55 I CA -0.236 60.943 61.300 -0.202 0.000 1.151 55 I CB 0.866 38.634 38.000 -0.386 0.000 1.293 55 I HN 0.376 nan 8.210 nan 0.000 0.458 56 E N 6.462 126.611 120.200 -0.084 0.000 2.274 56 E HA 0.344 4.694 4.350 0.001 0.000 0.269 56 E C -0.950 175.633 176.600 -0.028 0.000 0.891 56 E CA -0.909 55.463 56.400 -0.047 0.000 0.784 56 E CB 2.490 32.160 29.700 -0.050 0.000 1.225 56 E HN 0.481 nan 8.360 nan 0.000 0.412 57 R N 0.331 120.838 120.500 0.013 0.000 2.538 57 R HA 0.140 4.480 4.340 0.001 0.000 0.282 57 R C 1.123 177.414 176.300 -0.016 0.000 1.009 57 R CA 1.227 57.341 56.100 0.024 0.000 1.063 57 R CB 0.169 30.500 30.300 0.051 0.000 0.945 57 R HN 0.939 nan 8.270 nan 0.000 0.414 58 G N 1.990 110.765 108.800 -0.041 0.000 2.184 58 G HA2 -0.339 3.621 3.960 0.001 0.000 0.264 58 G HA3 -0.339 3.621 3.960 0.001 0.000 0.264 58 G C 0.737 175.569 174.900 -0.113 0.000 0.975 58 G CA 0.760 45.819 45.100 -0.067 0.000 0.642 58 G HN 0.628 nan 8.290 nan 0.000 0.536 59 K N -0.649 119.674 120.400 -0.129 0.000 2.485 59 K HA 0.143 4.463 4.320 0.001 0.000 0.200 59 K C 1.223 177.694 176.600 -0.216 0.000 1.352 59 K CA 0.939 57.134 56.287 -0.154 0.000 0.953 59 K CB 0.558 33.002 32.500 -0.093 0.000 1.387 59 K HN 0.511 nan 8.250 nan 0.000 0.512 60 T N -0.925 113.519 114.554 -0.184 0.000 2.918 60 T HA 0.372 4.722 4.350 0.001 0.000 0.283 60 T C -0.345 174.208 174.700 -0.246 0.000 1.001 60 T CA -0.538 61.462 62.100 -0.166 0.000 1.041 60 T CB 0.734 69.546 68.868 -0.092 0.000 1.028 60 T HN -0.081 nan 8.240 nan 0.000 0.511 61 Y N 0.947 121.191 120.300 -0.092 0.000 2.326 61 Y HA 0.478 5.028 4.550 0.001 0.000 0.337 61 Y C 0.302 176.138 175.900 -0.107 0.000 1.023 61 Y CA -1.037 56.992 58.100 -0.118 0.000 1.143 61 Y CB 0.822 39.194 38.460 -0.146 0.000 1.183 61 Y HN 0.479 nan 8.280 nan 0.000 0.485 62 L N 4.755 125.990 121.223 0.021 0.000 2.334 62 L HA 0.554 4.894 4.340 0.001 0.000 0.277 62 L C -0.039 176.823 176.870 -0.013 0.000 1.075 62 L CA -0.734 54.109 54.840 0.004 0.000 0.804 62 L CB 0.945 43.021 42.059 0.028 0.000 1.174 62 L HN 0.483 nan 8.230 nan 0.000 0.438 63 R N 3.563 124.075 120.500 0.021 0.000 2.265 63 R HA 0.676 5.016 4.340 0.001 0.000 0.328 63 R C -1.104 175.256 176.300 0.099 0.000 0.969 63 R CA -0.406 55.719 56.100 0.042 0.000 0.832 63 R CB 1.189 31.515 30.300 0.045 0.000 1.139 63 R HN 0.486 nan 8.270 nan 0.000 0.457 64 L N 2.359 123.676 121.223 0.157 0.000 2.323 64 L HA 0.605 4.946 4.340 0.001 0.000 0.265 64 L C 0.046 177.089 176.870 0.288 0.000 1.012 64 L CA -1.180 53.808 54.840 0.248 0.000 0.820 64 L CB 1.828 44.083 42.059 0.326 0.000 1.334 64 L HN 0.331 nan 8.230 nan 0.000 0.427 65 R N 1.609 122.275 120.500 0.276 0.000 2.402 65 R HA 0.365 4.705 4.340 0.001 0.000 0.290 65 R C -2.591 173.847 176.300 0.230 0.000 1.321 65 R CA -2.008 54.233 56.100 0.235 0.000 1.283 65 R CB 0.719 31.137 30.300 0.196 0.000 1.111 65 R HN 0.227 nan 8.270 nan 0.000 0.578 66 P HA 0.039 nan 4.420 nan 0.000 0.268 66 P C 0.286 177.613 177.300 0.045 0.000 1.208 66 P CA -0.051 63.053 63.100 0.007 0.000 0.777 66 P CB 1.001 32.615 31.700 -0.142 0.000 0.875 67 D N 1.087 121.500 120.400 0.021 0.000 2.213 67 D HA -0.002 4.639 4.640 0.001 0.000 0.205 67 D C 0.845 177.161 176.300 0.026 0.000 0.961 67 D CA 1.157 55.201 54.000 0.074 0.000 0.853 67 D CB 0.361 41.233 40.800 0.119 0.000 0.967 67 D HN 0.511 nan 8.370 nan 0.000 0.496 68 R N -1.232 119.244 120.500 -0.040 0.000 2.690 68 R HA 0.569 4.910 4.340 0.001 0.000 0.269 68 R C -1.794 174.436 176.300 -0.116 0.000 1.037 68 R CA -0.809 55.256 56.100 -0.060 0.000 0.877 68 R CB 1.231 31.503 30.300 -0.045 0.000 1.255 68 R HN -0.253 nan 8.270 nan 0.000 0.467 69 V N 0.612 120.455 119.914 -0.119 0.000 2.555 69 V HA 0.833 4.953 4.120 0.001 0.000 0.302 69 V C -0.535 175.490 176.094 -0.115 0.000 1.038 69 V CA -0.505 61.714 62.300 -0.135 0.000 0.887 69 V CB 1.574 33.316 31.823 -0.134 0.000 0.991 69 V HN 0.961 nan 8.190 nan 0.000 0.434 70 A N 5.947 128.710 122.820 -0.095 0.000 2.371 70 A HA 0.968 5.288 4.320 0.001 0.000 0.311 70 A C -0.844 176.737 177.584 -0.005 0.000 1.068 70 A CA -0.610 51.403 52.037 -0.040 0.000 0.744 70 A CB 1.561 20.516 19.000 -0.074 0.000 1.239 70 A HN 0.788 nan 8.150 nan 0.000 0.435 71 M N 1.742 121.383 119.600 0.068 0.000 2.464 71 M HA 0.398 4.878 4.480 0.001 0.000 0.308 71 M C -0.688 175.669 176.300 0.094 0.000 1.127 71 M CA -0.747 54.582 55.300 0.048 0.000 0.913 71 M CB 2.523 35.141 32.600 0.029 0.000 1.689 71 M HN 0.885 nan 8.290 nan 0.000 0.445 72 Q N 0.135 119.947 119.800 0.021 0.000 2.215 72 Q HA 0.340 4.680 4.340 0.001 0.000 0.256 72 Q C 0.051 176.061 176.000 0.018 0.000 0.972 72 Q CA -0.753 55.065 55.803 0.024 0.000 0.889 72 Q CB 0.663 29.364 28.738 -0.061 0.000 1.281 72 Q HN 0.657 nan 8.270 nan 0.000 0.456 73 D N 0.627 121.080 120.400 0.088 0.000 2.350 73 D HA -0.097 4.543 4.640 0.001 0.000 0.216 73 D C 0.971 177.326 176.300 0.093 0.000 0.968 73 D CA 1.078 55.163 54.000 0.143 0.000 0.894 73 D CB -0.285 40.666 40.800 0.251 0.000 0.909 73 D HN 0.574 nan 8.370 nan 0.000 0.520 74 A N 0.210 123.009 122.820 -0.034 0.000 2.169 74 A HA 0.074 4.394 4.320 0.001 0.000 0.212 74 A C 2.017 179.587 177.584 -0.022 0.000 1.153 74 A CA 1.413 53.423 52.037 -0.046 0.000 0.756 74 A CB -0.355 18.568 19.000 -0.128 0.000 0.813 74 A HN 0.400 nan 8.150 nan 0.000 0.471 75 T N -4.995 109.555 114.554 -0.007 0.000 2.959 75 T HA 0.454 4.804 4.350 0.001 0.000 0.254 75 T C 1.731 176.494 174.700 0.106 0.000 1.003 75 T CA 0.778 62.931 62.100 0.087 0.000 0.950 75 T CB 0.077 68.970 68.868 0.041 0.000 1.090 75 T HN 0.348 nan 8.240 nan 0.000 0.503 76 A N 1.951 124.827 122.820 0.094 0.000 2.015 76 A HA -0.035 4.285 4.320 0.001 0.000 0.219 76 A C 2.361 180.052 177.584 0.180 0.000 1.163 76 A CA 1.215 53.321 52.037 0.115 0.000 0.646 76 A CB -0.635 18.442 19.000 0.127 0.000 0.806 76 A HN 0.584 nan 8.150 nan 0.000 0.448 77 Q N -1.750 118.182 119.800 0.221 0.000 2.046 77 Q HA -0.154 4.186 4.340 0.001 0.000 0.200 77 Q C 2.064 178.202 176.000 0.230 0.000 0.975 77 Q CA 1.722 57.702 55.803 0.296 0.000 0.836 77 Q CB -0.247 28.606 28.738 0.191 0.000 0.896 77 Q HN 0.625 nan 8.270 nan 0.000 0.428 78 M N 0.180 119.885 119.600 0.175 0.000 2.349 78 M HA 0.049 4.529 4.480 0.001 0.000 0.266 78 M C 1.815 178.156 176.300 0.068 0.000 1.076 78 M CA 1.158 56.516 55.300 0.096 0.000 1.126 78 M CB -0.138 32.492 32.600 0.050 0.000 1.392 78 M HN 0.161 nan 8.290 nan 0.000 0.440 79 A N -0.101 122.769 122.820 0.083 0.000 1.898 79 A HA -0.108 4.213 4.320 0.001 0.000 0.216 79 A C 2.020 179.648 177.584 0.074 0.000 1.181 79 A CA 1.654 53.723 52.037 0.052 0.000 0.620 79 A CB -0.514 18.505 19.000 0.031 0.000 0.819 79 A HN 0.484 nan 8.150 nan 0.000 0.442 80 M N -0.473 119.193 119.600 0.109 0.000 2.254 80 M HA 0.053 4.534 4.480 0.001 0.000 0.265 80 M C 2.066 178.474 176.300 0.179 0.000 1.066 80 M CA 1.019 56.388 55.300 0.114 0.000 1.123 80 M CB -1.372 31.295 32.600 0.111 0.000 1.388 80 M HN 0.365 nan 8.290 nan 0.000 0.425 81 L N -0.364 120.986 121.223 0.211 0.000 2.083 81 L HA -0.233 4.108 4.340 0.001 0.000 0.209 81 L C 2.508 179.402 176.870 0.040 0.000 1.083 81 L CA 1.213 56.137 54.840 0.140 0.000 0.752 81 L CB -0.548 41.544 42.059 0.055 0.000 0.899 81 L HN 0.375 nan 8.230 nan 0.000 0.433 82 Q N -1.167 118.645 119.800 0.020 0.000 2.123 82 Q HA -0.191 4.149 4.340 0.001 0.000 0.199 82 Q C 2.114 178.100 176.000 -0.023 0.000 0.966 82 Q CA 1.377 57.165 55.803 -0.025 0.000 0.845 82 Q CB -0.119 28.602 28.738 -0.028 0.000 0.907 82 Q HN 0.384 nan 8.270 nan 0.000 0.439 83 F N 1.093 120.962 119.950 -0.135 0.000 2.146 83 F HA -0.159 4.369 4.527 0.001 0.000 0.298 83 F C 1.839 177.479 175.800 -0.267 0.000 1.096 83 F CA 1.074 58.945 58.000 -0.215 0.000 1.275 83 F CB -0.001 38.818 39.000 -0.302 0.000 1.008 83 F HN -0.037 nan 8.300 nan 0.000 0.480 84 I N -0.706 119.798 120.570 -0.109 0.000 2.226 84 I HA -0.339 3.831 4.170 0.001 0.000 0.245 84 I C 2.367 178.414 176.117 -0.116 0.000 1.100 84 I CA 1.538 62.776 61.300 -0.103 0.000 1.374 84 I CB -0.634 37.410 38.000 0.072 0.000 1.057 84 I HN 0.029 nan 8.210 nan 0.000 0.413 85 S N 0.459 116.095 115.700 -0.106 0.000 2.419 85 S HA -0.172 4.298 4.470 0.001 0.000 0.233 85 S C 2.125 176.625 174.600 -0.166 0.000 1.016 85 S CA 1.554 59.684 58.200 -0.116 0.000 0.974 85 S CB -0.364 62.768 63.200 -0.113 0.000 0.786 85 S HN 0.645 nan 8.310 nan 0.000 0.492 86 S N 0.849 116.393 115.700 -0.261 0.000 2.423 86 S HA 0.126 4.597 4.470 0.001 0.000 0.231 86 S C 1.805 176.242 174.600 -0.272 0.000 1.014 86 S CA 1.156 59.182 58.200 -0.290 0.000 0.965 86 S CB -0.680 62.257 63.200 -0.438 0.000 0.785 86 S HN 0.851 nan 8.310 nan 0.000 0.495 87 G N 0.684 109.313 108.800 -0.284 0.000 2.176 87 G HA2 -0.227 3.733 3.960 0.001 0.000 0.253 87 G HA3 -0.227 3.733 3.960 0.001 0.000 0.253 87 G C 0.002 174.791 174.900 -0.185 0.000 0.979 87 G CA 0.256 45.252 45.100 -0.172 0.000 0.641 87 G HN 0.563 nan 8.290 nan 0.000 0.530 88 L N 1.470 122.470 121.223 -0.371 0.000 2.426 88 L HA 0.262 4.602 4.340 0.001 0.000 0.271 88 L C 0.004 176.863 176.870 -0.017 0.000 1.169 88 L CA -1.116 53.569 54.840 -0.258 0.000 0.836 88 L CB 0.828 42.642 42.059 -0.408 0.000 1.112 88 L HN 0.030 nan 8.230 nan 0.000 0.465 89 P HA -0.013 nan 4.420 nan 0.000 0.230 89 P C -0.228 177.306 177.300 0.389 0.000 1.168 89 P CA 0.742 63.992 63.100 0.249 0.000 0.793 89 P CB 0.533 32.304 31.700 0.118 0.000 0.851 90 K N 0.354 120.997 120.400 0.406 0.000 2.568 90 K HA 0.345 4.666 4.320 0.001 0.000 0.273 90 K C -1.146 175.641 176.600 0.311 0.000 0.951 90 K CA -0.945 55.538 56.287 0.326 0.000 0.854 90 K CB 1.499 34.091 32.500 0.153 0.000 1.424 90 K HN -0.193 nan 8.250 nan 0.000 0.427 91 V N 1.275 121.245 119.914 0.093 0.000 2.811 91 V HA 0.619 4.739 4.120 0.001 0.000 0.302 91 V C 0.862 176.983 176.094 0.044 0.000 1.063 91 V CA 0.568 62.846 62.300 -0.037 0.000 1.088 91 V CB 0.892 32.575 31.823 -0.232 0.000 0.982 91 V HN 0.881 nan 8.190 nan 0.000 0.485 92 A N 3.521 126.376 122.820 0.058 0.000 2.147 92 A HA 0.530 4.850 4.320 0.001 0.000 0.211 92 A C 0.884 178.496 177.584 0.047 0.000 1.160 92 A CA 0.883 52.960 52.037 0.066 0.000 0.781 92 A CB -0.302 18.748 19.000 0.083 0.000 0.842 92 A HN 1.796 nan 8.150 nan 0.000 0.475 93 V N -4.907 115.021 119.914 0.023 0.000 3.040 93 V HA 0.620 4.741 4.120 0.001 0.000 0.312 93 V C -3.301 172.801 176.094 0.014 0.000 1.115 93 V CA -3.105 59.210 62.300 0.025 0.000 0.998 93 V CB 1.252 33.083 31.823 0.014 0.000 1.042 93 V HN -0.001 nan 8.190 nan 0.000 0.433 94 P HA 0.205 nan 4.420 nan 0.000 0.258 94 P C -0.495 176.789 177.300 -0.026 0.000 1.172 94 P CA 0.931 64.055 63.100 0.039 0.000 0.762 94 P CB 0.209 31.949 31.700 0.066 0.000 0.764 95 S N 1.378 117.054 115.700 -0.039 0.000 2.541 95 S HA 0.727 5.198 4.470 0.001 0.000 0.280 95 S C -0.506 174.061 174.600 -0.056 0.000 1.112 95 S CA -0.683 57.471 58.200 -0.077 0.000 0.925 95 S CB 1.915 65.052 63.200 -0.106 0.000 1.067 95 S HN 0.511 nan 8.310 nan 0.000 0.479 96 T N -0.472 114.049 114.554 -0.054 0.000 2.906 96 T HA 0.789 5.140 4.350 0.001 0.000 0.295 96 T C -0.730 173.956 174.700 -0.022 0.000 1.061 96 T CA -0.671 61.421 62.100 -0.013 0.000 1.000 96 T CB 0.850 69.715 68.868 -0.005 0.000 1.103 96 T HN 0.449 nan 8.240 nan 0.000 0.486 97 I N 1.893 122.423 120.570 -0.065 0.000 2.441 97 I HA 0.401 4.571 4.170 0.001 0.000 0.295 97 I C -0.239 175.674 176.117 -0.339 0.000 0.994 97 I CA -0.959 60.309 61.300 -0.054 0.000 1.144 97 I CB 1.478 39.544 38.000 0.111 0.000 1.314 97 I HN 0.605 nan 8.210 nan 0.000 0.445 98 H N 4.632 123.679 119.070 -0.039 0.000 2.589 98 H HA 0.294 4.850 4.556 0.001 0.000 0.335 98 H C -1.156 174.129 175.328 -0.072 0.000 1.019 98 H CA -0.562 55.436 56.048 -0.084 0.000 1.213 98 H CB 1.935 31.618 29.762 -0.132 0.000 1.472 98 H HN 0.527 nan 8.280 nan 0.000 0.508 99 C N 3.894 123.152 119.300 -0.069 0.000 2.135 99 C HA 0.104 4.564 4.460 0.001 0.000 0.345 99 C C 1.049 176.060 174.990 0.035 0.000 1.067 99 C CA -0.615 58.396 59.018 -0.011 0.000 1.517 99 C CB -1.275 26.339 27.740 -0.211 0.000 1.923 99 C HN 0.819 nan 8.230 nan 0.000 0.466 100 D N -0.843 119.627 120.400 0.117 0.000 2.486 100 D HA 0.012 4.652 4.640 0.001 0.000 0.243 100 D C 0.848 177.160 176.300 0.021 0.000 1.146 100 D CA 0.208 54.239 54.000 0.052 0.000 0.821 100 D CB -0.354 40.449 40.800 0.005 0.000 1.201 100 D HN 0.487 nan 8.370 nan 0.000 0.525 101 H N -0.032 119.063 119.070 0.042 0.000 2.575 101 H HA 0.437 4.994 4.556 0.001 0.000 0.267 101 H C 1.110 176.466 175.328 0.048 0.000 0.966 101 H CA 0.452 56.520 56.048 0.033 0.000 1.165 101 H CB 0.692 30.476 29.762 0.037 0.000 1.433 101 H HN 0.049 nan 8.280 nan 0.000 0.544 102 L N 0.298 121.619 121.223 0.163 0.000 2.959 102 L HA 0.306 4.647 4.340 0.001 0.000 0.259 102 L C -0.442 176.487 176.870 0.099 0.000 1.185 102 L CA 0.033 54.941 54.840 0.114 0.000 0.998 102 L CB 0.715 42.836 42.059 0.104 0.000 1.337 102 L HN 0.078 nan 8.230 nan 0.000 0.555 103 I N 0.876 121.499 120.570 0.088 0.000 2.291 103 I HA 0.099 4.269 4.170 0.001 0.000 0.290 103 I C 0.570 176.708 176.117 0.034 0.000 1.050 103 I CA -0.048 61.295 61.300 0.072 0.000 1.245 103 I CB 1.174 39.210 38.000 0.060 0.000 1.405 103 I HN 0.123 nan 8.210 nan 0.000 0.478 104 E N 5.795 126.019 120.200 0.041 0.000 2.316 104 E HA 0.431 4.781 4.350 0.001 0.000 0.275 104 E C -0.332 176.304 176.600 0.061 0.000 1.029 104 E CA -0.675 55.756 56.400 0.052 0.000 0.871 104 E CB 1.041 30.771 29.700 0.050 0.000 1.022 104 E HN 0.691 nan 8.360 nan 0.000 0.418 105 A N 4.443 127.310 122.820 0.078 0.000 2.404 105 A HA 0.102 4.423 4.320 0.001 0.000 0.273 105 A C 0.344 178.027 177.584 0.164 0.000 1.144 105 A CA 0.014 52.098 52.037 0.077 0.000 0.806 105 A CB 0.904 19.898 19.000 -0.011 0.000 1.080 105 A HN 0.927 nan 8.150 nan 0.000 0.509 106 Q N 1.586 121.455 119.800 0.116 0.000 2.232 106 Q HA 0.154 4.495 4.340 0.001 0.000 0.167 106 Q C -0.003 176.051 176.000 0.090 0.000 0.632 106 Q CA -0.113 55.762 55.803 0.120 0.000 0.873 106 Q CB 0.097 28.885 28.738 0.083 0.000 1.172 106 Q HN 0.575 nan 8.270 nan 0.000 0.381 107 L N 0.749 122.009 121.223 0.061 0.000 2.664 107 L HA 0.450 4.790 4.340 0.001 0.000 0.233 107 L C 0.537 177.428 176.870 0.035 0.000 1.113 107 L CA 1.448 56.315 54.840 0.046 0.000 0.896 107 L CB 0.761 42.842 42.059 0.037 0.000 1.163 107 L HN 0.455 nan 8.230 nan 0.000 0.497 108 G N -1.764 107.053 108.800 0.028 0.000 2.690 108 G HA2 0.166 4.127 3.960 0.001 0.000 0.686 108 G HA3 0.166 4.127 3.960 0.001 0.000 0.686 108 G C 0.752 175.657 174.900 0.009 0.000 1.277 108 G CA -0.283 44.823 45.100 0.010 0.000 0.799 108 G HN 0.560 nan 8.290 nan 0.000 0.613 109 G N 0.991 109.790 108.800 -0.002 0.000 3.376 109 G HA2 -0.297 3.663 3.960 0.001 0.000 0.286 109 G HA3 -0.297 3.663 3.960 0.001 0.000 0.286 109 G C 1.559 176.465 174.900 0.010 0.000 0.909 109 G CA 2.727 47.827 45.100 0.001 0.000 0.769 109 G HN 2.278 nan 8.290 nan 0.000 1.194 110 E N 0.172 120.380 120.200 0.013 0.000 2.110 110 E HA -0.069 4.282 4.350 0.001 0.000 0.193 110 E C 2.340 178.953 176.600 0.022 0.000 0.988 110 E CA 1.635 58.045 56.400 0.017 0.000 0.804 110 E CB -0.270 29.441 29.700 0.017 0.000 0.745 110 E HN 0.631 nan 8.360 nan 0.000 0.458 111 K N 0.524 120.937 120.400 0.022 0.000 2.026 111 K HA -0.129 4.191 4.320 0.001 0.000 0.208 111 K C 1.829 178.447 176.600 0.030 0.000 1.048 111 K CA 1.586 57.888 56.287 0.025 0.000 0.929 111 K CB -0.105 32.410 32.500 0.025 0.000 0.713 111 K HN 0.138 nan 8.250 nan 0.000 0.439 112 D N 0.832 121.250 120.400 0.029 0.000 2.178 112 D HA -0.132 4.509 4.640 0.001 0.000 0.202 112 D C 1.816 178.141 176.300 0.042 0.000 0.974 112 D CA 0.711 54.732 54.000 0.035 0.000 0.841 112 D CB -0.076 40.742 40.800 0.030 0.000 0.953 112 D HN 0.020 nan 8.370 nan 0.000 0.478 113 L N 1.092 122.337 121.223 0.037 0.000 2.044 113 L HA -0.063 4.278 4.340 0.001 0.000 0.205 113 L C 2.178 179.084 176.870 0.060 0.000 1.075 113 L CA 1.503 56.370 54.840 0.045 0.000 0.747 113 L CB -0.206 41.869 42.059 0.026 0.000 0.903 113 L HN -0.172 nan 8.230 nan 0.000 0.435 114 R N -0.679 119.850 120.500 0.048 0.000 2.091 114 R HA -0.210 4.131 4.340 0.001 0.000 0.238 114 R C 2.454 178.790 176.300 0.059 0.000 1.136 114 R CA 1.802 57.932 56.100 0.050 0.000 0.959 114 R CB -0.540 29.782 30.300 0.037 0.000 0.856 114 R HN 0.392 nan 8.270 nan 0.000 0.437 115 R N 0.700 121.231 120.500 0.052 0.000 2.073 115 R HA -0.109 4.231 4.340 0.001 0.000 0.234 115 R C 2.224 178.562 176.300 0.062 0.000 1.134 115 R CA 1.503 57.631 56.100 0.047 0.000 0.952 115 R CB -0.241 30.082 30.300 0.037 0.000 0.850 115 R HN 0.229 nan 8.270 nan 0.000 0.433 116 A N 1.254 124.126 122.820 0.087 0.000 1.933 116 A HA -0.174 4.147 4.320 0.001 0.000 0.218 116 A C 1.947 179.660 177.584 0.214 0.000 1.175 116 A CA 1.597 53.712 52.037 0.130 0.000 0.628 116 A CB -0.317 18.788 19.000 0.175 0.000 0.814 116 A HN 0.350 nan 8.150 nan 0.000 0.444 117 K N -0.825 119.718 120.400 0.239 0.000 2.211 117 K HA -0.146 4.174 4.320 0.001 0.000 0.203 117 K C 1.643 178.352 176.600 0.182 0.000 1.050 117 K CA 1.421 57.890 56.287 0.303 0.000 0.945 117 K CB -0.119 32.490 32.500 0.182 0.000 0.732 117 K HN 0.625 nan 8.250 nan 0.000 0.451 118 D N 0.920 121.380 120.400 0.101 0.000 2.146 118 D HA -0.028 4.613 4.640 0.001 0.000 0.209 118 D C 1.763 178.075 176.300 0.020 0.000 0.973 118 D CA 0.703 54.737 54.000 0.056 0.000 0.860 118 D CB 0.102 40.926 40.800 0.041 0.000 1.015 118 D HN -0.005 nan 8.370 nan 0.000 0.465 119 I N 0.507 121.078 120.570 0.002 0.000 2.248 119 I HA -0.222 3.949 4.170 0.001 0.000 0.248 119 I C 1.124 177.183 176.117 -0.096 0.000 1.107 119 I CA 0.995 62.272 61.300 -0.040 0.000 1.373 119 I CB -0.237 37.740 38.000 -0.039 0.000 1.055 119 I HN 0.135 nan 8.210 nan 0.000 0.418 120 N N 0.143 118.750 118.700 -0.156 0.000 2.238 120 N HA -0.001 4.740 4.740 0.001 0.000 0.222 120 N C 1.378 176.663 175.510 -0.375 0.000 1.133 120 N CA 0.011 52.834 53.050 -0.378 0.000 0.854 120 N CB 0.404 38.432 38.487 -0.764 0.000 1.041 120 N HN 0.425 nan 8.380 nan 0.000 0.510 121 Q N 1.234 120.970 119.800 -0.106 0.000 2.173 121 Q HA -0.214 4.126 4.340 0.001 0.000 0.208 121 Q C 1.604 177.616 176.000 0.020 0.000 0.989 121 Q CA 1.516 57.332 55.803 0.022 0.000 0.872 121 Q CB 0.163 28.930 28.738 0.048 0.000 0.909 121 Q HN 0.477 nan 8.270 nan 0.000 0.420 122 E N -0.780 119.409 120.200 -0.017 0.000 2.077 122 E HA -0.160 4.190 4.350 0.001 0.000 0.193 122 E C 1.960 178.591 176.600 0.053 0.000 0.989 122 E CA 1.295 57.706 56.400 0.019 0.000 0.800 122 E CB 0.158 29.856 29.700 -0.004 0.000 0.746 122 E HN 0.199 nan 8.360 nan 0.000 0.452 123 V N 0.483 120.382 119.914 -0.025 0.000 2.379 123 V HA -0.220 3.900 4.120 0.001 0.000 0.245 123 V C 2.042 178.259 176.094 0.207 0.000 1.044 123 V CA 1.548 63.876 62.300 0.046 0.000 1.036 123 V CB -0.632 31.136 31.823 -0.092 0.000 0.664 123 V HN 0.349 nan 8.190 nan 0.000 0.453 124 Y N 0.591 120.989 120.300 0.164 0.000 2.274 124 Y HA -0.173 4.377 4.550 0.001 0.000 0.290 124 Y C 2.382 178.329 175.900 0.079 0.000 1.145 124 Y CA 1.270 59.488 58.100 0.197 0.000 1.203 124 Y CB -1.204 37.372 38.460 0.193 0.000 0.984 124 Y HN 0.337 nan 8.280 nan 0.000 0.533 125 N N -0.468 118.358 118.700 0.210 0.000 2.084 125 N HA -0.211 4.529 4.740 0.001 0.000 0.190 125 N C 1.732 177.267 175.510 0.043 0.000 1.030 125 N CA 1.254 54.348 53.050 0.073 0.000 0.849 125 N CB -0.480 38.056 38.487 0.081 0.000 1.012 125 N HN 0.212 nan 8.380 nan 0.000 0.423 126 F N 1.006 120.959 119.950 0.005 0.000 2.069 126 F HA -0.086 4.441 4.527 0.000 0.000 0.298 126 F C 1.735 177.532 175.800 -0.004 0.000 1.113 126 F CA 1.323 59.328 58.000 0.008 0.000 1.214 126 F CB -0.410 38.613 39.000 0.038 0.000 0.978 126 F HN 0.026 nan 8.300 nan 0.000 0.474 127 L N -0.007 121.232 121.223 0.027 0.000 2.056 127 L HA -0.165 4.175 4.340 0.001 0.000 0.207 127 L C 2.823 179.472 176.870 -0.368 0.000 1.078 127 L CA 1.147 55.941 54.840 -0.076 0.000 0.749 127 L CB -1.183 41.082 42.059 0.342 0.000 0.901 127 L HN 0.279 nan 8.230 nan 0.000 0.433 128 A N -0.665 121.713 122.820 -0.738 0.000 1.933 128 A HA -0.189 4.132 4.320 0.001 0.000 0.218 128 A C 2.358 179.593 177.584 -0.581 0.000 1.175 128 A CA 2.314 53.649 52.037 -1.171 0.000 0.628 128 A CB -0.794 17.512 19.000 -1.156 0.000 0.814 128 A HN 0.372 nan 8.150 nan 0.000 0.444 129 T N -0.152 114.161 114.554 -0.403 0.000 2.812 129 T HA 0.109 4.459 4.350 0.001 0.000 0.264 129 T C 2.209 176.725 174.700 -0.308 0.000 1.042 129 T CA 1.276 63.196 62.100 -0.300 0.000 1.140 129 T CB -0.304 68.441 68.868 -0.205 0.000 0.870 129 T HN 0.558 nan 8.240 nan 0.000 0.445 130 A N 1.239 123.835 122.820 -0.373 0.000 1.969 130 A HA 0.201 4.522 4.320 0.001 0.000 0.218 130 A C 2.544 180.060 177.584 -0.114 0.000 1.169 130 A CA 1.662 53.556 52.037 -0.238 0.000 0.635 130 A CB -1.198 17.544 19.000 -0.430 0.000 0.810 130 A HN 0.493 nan 8.150 nan 0.000 0.445 131 G N -0.277 108.405 108.800 -0.197 0.000 2.421 131 G HA2 -0.004 3.956 3.960 0.001 0.000 0.216 131 G HA3 -0.004 3.956 3.960 0.001 0.000 0.216 131 G C 1.746 176.538 174.900 -0.180 0.000 1.171 131 G CA 1.369 46.382 45.100 -0.144 0.000 0.775 131 G HN 0.766 nan 8.290 nan 0.000 0.543 132 A N 0.433 123.106 122.820 -0.245 0.000 1.933 132 A HA 0.016 4.336 4.320 0.001 0.000 0.218 132 A C 2.207 179.650 177.584 -0.236 0.000 1.175 132 A CA 2.099 53.996 52.037 -0.235 0.000 0.628 132 A CB -0.345 18.514 19.000 -0.235 0.000 0.814 132 A HN 0.416 nan 8.150 nan 0.000 0.444 133 K N -1.779 118.436 120.400 -0.308 0.000 2.062 133 K HA -0.099 4.222 4.320 0.001 0.000 0.205 133 K C 1.038 177.341 176.600 -0.495 0.000 1.051 133 K CA 1.323 57.337 56.287 -0.456 0.000 0.941 133 K CB -0.182 31.913 32.500 -0.675 0.000 0.719 133 K HN 0.509 nan 8.250 nan 0.000 0.440 134 Y N -0.172 120.074 120.300 -0.089 0.000 2.457 134 Y HA 0.267 4.817 4.550 0.000 0.000 0.263 134 Y C 0.864 176.696 175.900 -0.113 0.000 1.164 134 Y CA 0.233 58.295 58.100 -0.064 0.000 1.274 134 Y CB 0.881 39.286 38.460 -0.091 0.000 1.097 134 Y HN 0.324 nan 8.280 nan 0.000 0.523 135 G N 0.710 109.486 108.800 -0.040 0.000 2.248 135 G HA2 -0.206 3.754 3.960 0.001 0.000 0.263 135 G HA3 -0.206 3.754 3.960 0.001 0.000 0.263 135 G C -0.615 174.232 174.900 -0.088 0.000 1.082 135 G CA 0.067 45.120 45.100 -0.079 0.000 0.863 135 G HN 0.115 nan 8.290 nan 0.000 0.495 136 V N 0.370 120.227 119.914 -0.095 0.000 2.398 136 V HA 0.762 4.883 4.120 0.001 0.000 0.286 136 V C 1.254 177.302 176.094 -0.077 0.000 1.026 136 V CA -0.162 62.091 62.300 -0.078 0.000 0.868 136 V CB 1.620 33.396 31.823 -0.077 0.000 0.982 136 V HN 0.824 nan 8.190 nan 0.000 0.443 137 G N 3.031 111.817 108.800 -0.024 0.000 2.491 137 G HA2 0.374 4.334 3.960 0.001 0.000 0.242 137 G HA3 0.374 4.334 3.960 0.001 0.000 0.242 137 G C -1.090 173.829 174.900 0.032 0.000 1.266 137 G CA 0.061 45.165 45.100 0.007 0.000 0.844 137 G HN 0.557 nan 8.290 nan 0.000 0.571 138 F N 1.680 121.417 119.950 -0.354 0.000 2.507 138 F HA 0.583 5.110 4.527 0.001 0.000 0.328 138 F C -1.356 174.246 175.800 -0.330 0.000 1.136 138 F CA -1.811 56.027 58.000 -0.271 0.000 0.930 138 F CB 1.354 40.188 39.000 -0.275 0.000 1.166 138 F HN 0.447 nan 8.300 nan 0.000 0.436 139 W N 7.154 128.030 121.300 -0.707 0.000 2.314 139 W HA 0.560 5.220 4.660 0.001 0.000 0.310 139 W C 0.267 176.305 176.519 -0.802 0.000 1.075 139 W CA -0.536 56.500 57.345 -0.514 0.000 1.253 139 W CB 0.941 30.179 29.460 -0.371 0.000 1.238 139 W HN 0.388 nan 8.180 nan 0.000 0.440 140 R N 4.214 124.460 120.500 -0.423 0.000 2.827 140 R HA 0.112 4.452 4.340 0.001 0.000 0.269 140 R C -1.946 174.173 176.300 -0.301 0.000 1.048 140 R CA -1.394 54.468 56.100 -0.397 0.000 1.173 140 R CB -0.346 29.883 30.300 -0.119 0.000 1.070 140 R HN 0.121 nan 8.270 nan 0.000 0.498 141 P HA -0.100 nan 4.420 nan 0.000 0.262 141 P C 0.523 177.743 177.300 -0.133 0.000 1.182 141 P CA 0.941 63.855 63.100 -0.310 0.000 0.761 141 P CB 0.610 31.985 31.700 -0.542 0.000 0.795 142 G N 2.660 111.420 108.800 -0.066 0.000 2.279 142 G HA2 -0.334 3.627 3.960 0.001 0.000 0.223 142 G HA3 -0.334 3.627 3.960 0.001 0.000 0.223 142 G C 1.363 176.267 174.900 0.007 0.000 1.015 142 G CA 0.528 45.615 45.100 -0.022 0.000 0.621 142 G HN 0.582 nan 8.290 nan 0.000 0.506 143 S N 0.319 116.038 115.700 0.032 0.000 2.383 143 S HA 0.393 4.863 4.470 0.001 0.000 0.229 143 S C 1.729 176.362 174.600 0.054 0.000 1.030 143 S CA 1.864 60.137 58.200 0.121 0.000 1.002 143 S CB -0.074 63.303 63.200 0.295 0.000 0.829 143 S HN 2.620 nan 8.310 nan 0.000 0.467 144 G N -0.076 108.721 108.800 -0.005 0.000 2.351 144 G HA2 0.244 4.204 3.960 0.001 0.000 0.353 144 G HA3 0.244 4.204 3.960 0.001 0.000 0.353 144 G C -1.134 173.710 174.900 -0.094 0.000 1.358 144 G CA -0.748 44.316 45.100 -0.060 0.000 0.995 144 G HN 0.354 nan 8.290 nan 0.000 0.611 145 I N 1.350 121.839 120.570 -0.135 0.000 2.529 145 I HA 0.214 4.384 4.170 0.001 0.000 0.284 145 I C 2.163 178.106 176.117 -0.290 0.000 1.082 145 I CA -0.365 60.827 61.300 -0.179 0.000 1.406 145 I CB 1.317 39.215 38.000 -0.171 0.000 1.405 145 I HN 0.673 nan 8.210 nan 0.000 0.548 146 I N 5.313 125.644 120.570 -0.399 0.000 2.113 146 I HA -0.403 3.767 4.170 0.001 0.000 0.242 146 I C 2.253 177.967 176.117 -0.672 0.000 1.057 146 I CA 2.028 62.897 61.300 -0.718 0.000 1.314 146 I CB -0.102 37.485 38.000 -0.688 0.000 1.022 146 I HN 0.681 nan 8.210 nan 0.000 0.408 147 H N -0.421 118.513 119.070 -0.228 0.000 2.470 147 H HA -0.105 4.451 4.556 0.000 0.000 0.289 147 H C 2.079 177.307 175.328 -0.168 0.000 1.033 147 H CA 1.356 57.298 56.048 -0.177 0.000 1.331 147 H CB -0.246 29.455 29.762 -0.101 0.000 1.414 147 H HN 0.473 nan 8.280 nan 0.000 0.545 148 Q N 0.444 120.179 119.800 -0.109 0.000 2.083 148 Q HA -0.044 4.296 4.340 0.001 0.000 0.198 148 Q C 2.166 178.063 176.000 -0.171 0.000 0.969 148 Q CA 0.689 56.427 55.803 -0.108 0.000 0.838 148 Q CB -0.012 28.663 28.738 -0.104 0.000 0.900 148 Q HN 0.225 nan 8.270 nan 0.000 0.436 149 I N 0.294 120.692 120.570 -0.286 0.000 2.226 149 I HA -0.249 3.921 4.170 0.001 0.000 0.245 149 I C 2.137 178.097 176.117 -0.262 0.000 1.100 149 I CA 1.310 62.362 61.300 -0.414 0.000 1.374 149 I CB -0.950 36.645 38.000 -0.675 0.000 1.057 149 I HN 0.313 nan 8.210 nan 0.000 0.413 150 I N 0.091 120.560 120.570 -0.168 0.000 2.202 150 I HA -0.299 3.871 4.170 0.001 0.000 0.242 150 I C 2.539 178.676 176.117 0.034 0.000 1.091 150 I CA 1.037 62.362 61.300 0.042 0.000 1.368 150 I CB -0.243 37.746 38.000 -0.017 0.000 1.058 150 I HN 0.147 nan 8.210 nan 0.000 0.410 151 L N 0.718 121.940 121.223 -0.003 0.000 2.131 151 L HA -0.214 4.126 4.340 0.001 0.000 0.210 151 L C 2.244 179.180 176.870 0.111 0.000 1.092 151 L CA 1.900 56.765 54.840 0.042 0.000 0.759 151 L CB -0.417 41.636 42.059 -0.010 0.000 0.903 151 L HN 0.196 nan 8.230 nan 0.000 0.435 152 E N -1.345 118.851 120.200 -0.007 0.000 2.371 152 E HA -0.032 4.318 4.350 0.001 0.000 0.194 152 E C 1.086 177.574 176.600 -0.186 0.000 1.012 152 E CA 0.672 57.014 56.400 -0.096 0.000 0.860 152 E CB 0.147 29.721 29.700 -0.211 0.000 0.811 152 E HN 0.599 nan 8.360 nan 0.000 0.502 153 N N -1.433 117.131 118.700 -0.227 0.000 2.272 153 N HA 0.046 4.786 4.740 0.001 0.000 0.228 153 N C 0.471 175.710 175.510 -0.453 0.000 1.206 153 N CA 0.319 53.111 53.050 -0.431 0.000 0.855 153 N CB 0.635 38.714 38.487 -0.679 0.000 1.248 153 N HN 0.093 nan 8.380 nan 0.000 0.476 154 Y N 1.011 121.339 120.300 0.047 0.000 2.512 154 Y HA 0.470 5.021 4.550 0.001 0.000 0.268 154 Y C 0.876 176.846 175.900 0.116 0.000 1.102 154 Y CA -0.655 57.502 58.100 0.095 0.000 1.261 154 Y CB 0.215 38.713 38.460 0.064 0.000 1.250 154 Y HN -0.126 nan 8.280 nan 0.000 0.506 155 A N 1.019 123.958 122.820 0.198 0.000 2.363 155 A HA 0.558 4.878 4.320 0.001 0.000 0.270 155 A C -0.934 176.753 177.584 0.172 0.000 1.121 155 A CA -0.056 52.028 52.037 0.077 0.000 0.800 155 A CB -0.554 18.474 19.000 0.046 0.000 1.052 155 A HN 0.376 nan 8.150 nan 0.000 0.493 156 Y N -0.688 119.658 120.300 0.076 0.000 2.638 156 Y HA 0.689 5.239 4.550 0.000 0.000 0.335 156 Y C -3.291 172.666 175.900 0.094 0.000 1.155 156 Y CA -3.395 54.749 58.100 0.074 0.000 1.046 156 Y CB 0.317 38.802 38.460 0.042 0.000 1.303 156 Y HN 0.388 nan 8.280 nan 0.000 0.460 157 P HA 0.197 nan 4.420 nan 0.000 0.261 157 P C 0.753 178.207 177.300 0.257 0.000 1.183 157 P CA 2.520 65.716 63.100 0.160 0.000 0.761 157 P CB 0.596 32.242 31.700 -0.089 0.000 0.785 158 G N 1.624 110.515 108.800 0.151 0.000 2.176 158 G HA2 -0.237 3.723 3.960 0.001 0.000 0.253 158 G HA3 -0.237 3.723 3.960 0.001 0.000 0.253 158 G C 0.237 175.250 174.900 0.189 0.000 0.979 158 G CA -0.033 45.202 45.100 0.225 0.000 0.641 158 G HN 0.664 nan 8.290 nan 0.000 0.530 159 V N 0.824 120.632 119.914 -0.178 0.000 2.811 159 V HA 0.634 4.754 4.120 0.001 0.000 0.302 159 V C 0.482 176.430 176.094 -0.243 0.000 1.063 159 V CA 0.027 62.099 62.300 -0.379 0.000 1.088 159 V CB 1.458 32.721 31.823 -0.932 0.000 0.982 159 V HN 0.832 nan 8.190 nan 0.000 0.485 160 L N 7.652 128.655 121.223 -0.367 0.000 2.294 160 L HA 0.592 4.932 4.340 0.001 0.000 0.283 160 L C -0.815 175.890 176.870 -0.275 0.000 1.015 160 L CA 0.181 54.753 54.840 -0.448 0.000 0.831 160 L CB 1.094 42.654 42.059 -0.832 0.000 1.217 160 L HN 0.716 nan 8.230 nan 0.000 0.420 161 L N 6.575 127.668 121.223 -0.217 0.000 2.346 161 L HA 0.705 5.046 4.340 0.001 0.000 0.276 161 L C -0.784 175.953 176.870 -0.221 0.000 1.006 161 L CA -0.728 53.997 54.840 -0.192 0.000 0.817 161 L CB 1.632 43.598 42.059 -0.156 0.000 1.272 161 L HN 0.763 nan 8.230 nan 0.000 0.421 162 I N 1.471 121.874 120.570 -0.278 0.000 2.562 162 I HA 0.943 5.113 4.170 0.001 0.000 0.301 162 I C -0.166 175.829 176.117 -0.203 0.000 1.003 162 I CA -0.482 60.621 61.300 -0.327 0.000 1.127 162 I CB 1.932 39.559 38.000 -0.622 0.000 1.304 162 I HN 0.586 nan 8.210 nan 0.000 0.446 163 G N 1.907 110.628 108.800 -0.132 0.000 2.638 163 G HA2 0.497 4.457 3.960 0.001 0.000 0.302 163 G HA3 0.497 4.457 3.960 0.001 0.000 0.302 163 G C -0.367 174.515 174.900 -0.030 0.000 1.365 163 G CA -0.625 44.439 45.100 -0.060 0.000 0.987 163 G HN 0.795 nan 8.290 nan 0.000 0.495 164 T N -0.546 113.997 114.554 -0.019 0.000 4.313 164 T HA 0.402 4.753 4.350 0.001 0.000 0.272 164 T C -0.295 174.418 174.700 0.022 0.000 1.298 164 T CA -0.385 61.717 62.100 0.002 0.000 1.124 164 T CB -0.169 68.700 68.868 0.000 0.000 1.352 164 T HN 0.491 nan 8.240 nan 0.000 1.013 165 D N 0.701 121.132 120.400 0.051 0.000 2.787 165 D HA 0.081 4.722 4.640 0.001 0.000 0.215 165 D C 0.696 177.032 176.300 0.061 0.000 1.246 165 D CA -0.286 53.770 54.000 0.094 0.000 0.798 165 D CB 2.006 42.928 40.800 0.203 0.000 1.649 165 D HN 0.308 nan 8.370 nan 0.000 0.507 166 S N 1.749 117.446 115.700 -0.005 0.000 2.522 166 S HA -0.078 4.393 4.470 0.001 0.000 0.227 166 S C 0.970 175.366 174.600 -0.341 0.000 0.986 166 S CA 0.765 58.876 58.200 -0.147 0.000 0.929 166 S CB -0.344 62.750 63.200 -0.176 0.000 0.769 166 S HN 0.558 nan 8.310 nan 0.000 0.529 167 H N 1.088 120.128 119.070 -0.050 0.000 2.538 167 H HA 0.289 4.845 4.556 0.001 0.000 0.286 167 H C 1.456 176.308 175.328 -0.794 0.000 1.035 167 H CA 0.504 56.381 56.048 -0.285 0.000 1.169 167 H CB -0.104 29.546 29.762 -0.187 0.000 1.417 167 H HN 0.345 nan 8.280 nan 0.000 0.567 168 T N 1.013 115.305 114.554 -0.437 0.000 2.778 168 T HA -0.127 4.224 4.350 0.001 0.000 0.269 168 T C -0.648 173.919 174.700 -0.222 0.000 1.050 168 T CA 0.900 62.818 62.100 -0.303 0.000 1.137 168 T CB -0.888 67.950 68.868 -0.051 0.000 0.860 168 T HN 0.367 nan 8.240 nan 0.000 0.468 169 P HA -0.109 nan 4.420 nan 0.000 0.221 169 P C 1.126 178.386 177.300 -0.066 0.000 1.141 169 P CA 0.843 63.901 63.100 -0.071 0.000 0.794 169 P CB -0.250 31.433 31.700 -0.028 0.000 0.764 170 N N -0.323 118.293 118.700 -0.139 0.000 2.132 170 N HA -0.156 4.584 4.740 0.001 0.000 0.191 170 N C 1.807 177.274 175.510 -0.070 0.000 1.015 170 N CA 1.738 54.721 53.050 -0.112 0.000 0.864 170 N CB -0.963 37.425 38.487 -0.164 0.000 1.006 170 N HN 0.051 nan 8.380 nan 0.000 0.430 171 G N -1.188 107.575 108.800 -0.061 0.000 2.559 171 G HA2 -0.098 3.862 3.960 0.001 0.000 0.216 171 G HA3 -0.098 3.862 3.960 0.001 0.000 0.216 171 G C 1.350 176.242 174.900 -0.013 0.000 1.126 171 G CA 0.558 45.636 45.100 -0.035 0.000 0.778 171 G HN 0.435 nan 8.290 nan 0.000 0.543 172 G N 0.765 109.574 108.800 0.014 0.000 2.470 172 G HA2 0.063 4.023 3.960 0.001 0.000 0.220 172 G HA3 0.063 4.023 3.960 0.001 0.000 0.220 172 G C 1.593 176.564 174.900 0.119 0.000 1.121 172 G CA 0.977 46.127 45.100 0.083 0.000 0.766 172 G HN 0.483 nan 8.290 nan 0.000 0.553 173 G N -0.150 108.658 108.800 0.013 0.000 2.559 173 G HA2 0.054 4.015 3.960 0.001 0.000 0.216 173 G HA3 0.054 4.015 3.960 0.001 0.000 0.216 173 G C 0.956 175.801 174.900 -0.091 0.000 1.126 173 G CA 0.240 45.273 45.100 -0.112 0.000 0.778 173 G HN 0.360 nan 8.290 nan 0.000 0.543 174 L N 0.269 121.488 121.223 -0.005 0.000 3.202 174 L HA 0.452 4.792 4.340 0.001 0.000 0.278 174 L C 1.455 178.397 176.870 0.120 0.000 1.268 174 L CA 0.061 54.937 54.840 0.060 0.000 1.034 174 L CB -0.035 42.065 42.059 0.067 0.000 1.407 174 L HN 0.284 nan 8.230 nan 0.000 0.581 175 G N -0.776 108.107 108.800 0.138 0.000 2.148 175 G HA2 -0.221 3.739 3.960 0.001 0.000 0.254 175 G HA3 -0.221 3.739 3.960 0.001 0.000 0.254 175 G C 0.626 175.588 174.900 0.103 0.000 0.981 175 G CA 0.140 45.339 45.100 0.165 0.000 0.670 175 G HN 0.797 nan 8.290 nan 0.000 0.528 176 G N -0.969 107.860 108.800 0.048 0.000 2.461 176 G HA2 0.641 4.601 3.960 0.001 0.000 0.329 176 G HA3 0.641 4.601 3.960 0.001 0.000 0.329 176 G C -0.258 174.637 174.900 -0.008 0.000 1.170 176 G CA -0.943 44.147 45.100 -0.018 0.000 0.935 176 G HN 0.307 nan 8.290 nan 0.000 0.492 177 I N 0.628 121.174 120.570 -0.039 0.000 2.307 177 I HA 0.272 4.443 4.170 0.001 0.000 0.289 177 I C -0.484 175.597 176.117 -0.061 0.000 1.021 177 I CA -0.525 60.759 61.300 -0.027 0.000 1.224 177 I CB 0.607 38.596 38.000 -0.019 0.000 1.376 177 I HN 0.176 nan 8.210 nan 0.000 0.470 178 C N 7.867 127.143 119.300 -0.040 0.000 2.322 178 C HA 0.615 5.076 4.460 0.001 0.000 0.324 178 C C 0.250 175.216 174.990 -0.040 0.000 1.249 178 C CA -0.716 58.264 59.018 -0.063 0.000 1.453 178 C CB 0.564 28.266 27.740 -0.062 0.000 2.145 178 C HN 0.537 nan 8.230 nan 0.000 0.466 179 I N 2.385 122.926 120.570 -0.049 0.000 2.498 179 I HA 0.499 4.669 4.170 0.001 0.000 0.290 179 I C 0.794 176.896 176.117 -0.025 0.000 1.032 179 I CA -0.094 61.209 61.300 0.006 0.000 1.073 179 I CB 1.745 39.821 38.000 0.127 0.000 1.251 179 I HN 0.794 nan 8.210 nan 0.000 0.426 180 G N 5.337 114.142 108.800 0.008 0.000 2.378 180 G HA2 0.508 4.468 3.960 0.001 0.000 0.255 180 G HA3 0.508 4.468 3.960 0.001 0.000 0.255 180 G C -0.334 174.601 174.900 0.059 0.000 1.270 180 G CA -0.157 44.949 45.100 0.011 0.000 0.876 180 G HN 0.542 nan 8.290 nan 0.000 0.521 181 V N 0.233 120.170 119.914 0.039 0.000 3.160 181 V HA 0.978 5.099 4.120 0.001 0.000 0.310 181 V C 0.595 176.726 176.094 0.062 0.000 1.181 181 V CA -0.568 61.781 62.300 0.082 0.000 1.047 181 V CB 1.355 33.208 31.823 0.050 0.000 1.068 181 V HN 1.024 nan 8.190 nan 0.000 0.441 182 G N -0.063 108.784 108.800 0.078 0.000 2.537 182 G HA2 0.475 4.435 3.960 0.001 0.000 0.273 182 G HA3 0.475 4.435 3.960 0.001 0.000 0.273 182 G C 0.989 175.905 174.900 0.027 0.000 1.189 182 G CA -0.088 45.047 45.100 0.059 0.000 0.881 182 G HN 1.576 nan 8.290 nan 0.000 0.535 183 G N 0.176 108.988 108.800 0.020 0.000 2.475 183 G HA2 -0.038 3.922 3.960 0.001 0.000 0.220 183 G HA3 -0.038 3.922 3.960 0.001 0.000 0.220 183 G C 1.839 176.732 174.900 -0.012 0.000 1.125 183 G CA 1.708 46.811 45.100 0.006 0.000 0.755 183 G HN 0.952 nan 8.290 nan 0.000 0.565 184 A N 0.566 123.369 122.820 -0.028 0.000 2.014 184 A HA 0.079 4.400 4.320 0.001 0.000 0.218 184 A C 2.017 179.574 177.584 -0.045 0.000 1.163 184 A CA 1.878 53.878 52.037 -0.062 0.000 0.652 184 A CB -0.187 18.736 19.000 -0.128 0.000 0.808 184 A HN 0.288 nan 8.150 nan 0.000 0.449 185 D N 0.068 120.471 120.400 0.006 0.000 2.149 185 D HA 0.051 4.692 4.640 0.001 0.000 0.201 185 D C 2.192 178.484 176.300 -0.014 0.000 0.972 185 D CA 1.332 55.384 54.000 0.086 0.000 0.835 185 D CB -0.208 40.712 40.800 0.200 0.000 0.966 185 D HN 0.395 nan 8.370 nan 0.000 0.476 186 A N 0.234 123.016 122.820 -0.063 0.000 1.972 186 A HA -0.124 4.196 4.320 0.001 0.000 0.219 186 A C 2.342 179.902 177.584 -0.040 0.000 1.169 186 A CA 0.993 52.972 52.037 -0.098 0.000 0.635 186 A CB -0.667 18.282 19.000 -0.085 0.000 0.810 186 A HN 0.143 nan 8.150 nan 0.000 0.446 187 V N 0.681 120.602 119.914 0.012 0.000 2.343 187 V HA -0.248 3.872 4.120 0.001 0.000 0.247 187 V C 2.159 178.314 176.094 0.102 0.000 1.051 187 V CA 2.215 64.573 62.300 0.098 0.000 1.036 187 V CB -0.820 31.050 31.823 0.078 0.000 0.654 187 V HN 0.504 nan 8.190 nan 0.000 0.451 188 D N 0.222 120.661 120.400 0.066 0.000 2.116 188 D HA -0.160 4.480 4.640 0.001 0.000 0.193 188 D C 2.116 178.479 176.300 0.106 0.000 0.998 188 D CA 1.606 55.665 54.000 0.099 0.000 0.836 188 D CB -0.337 40.562 40.800 0.166 0.000 0.951 188 D HN 0.368 nan 8.370 nan 0.000 0.449 189 V N 0.711 120.660 119.914 0.059 0.000 2.488 189 V HA -0.140 3.981 4.120 0.001 0.000 0.246 189 V C 2.476 178.591 176.094 0.035 0.000 1.046 189 V CA 1.001 63.322 62.300 0.034 0.000 1.053 189 V CB -0.345 31.435 31.823 -0.073 0.000 0.679 189 V HN 0.178 nan 8.190 nan 0.000 0.458 190 M N 0.088 119.700 119.600 0.021 0.000 2.279 190 M HA -0.091 4.390 4.480 0.001 0.000 0.264 190 M C 2.078 178.497 176.300 0.198 0.000 1.062 190 M CA 1.762 57.068 55.300 0.010 0.000 1.099 190 M CB -0.380 32.105 32.600 -0.191 0.000 1.394 190 M HN 0.400 nan 8.290 nan 0.000 0.426 191 A N -0.505 122.460 122.820 0.243 0.000 2.178 191 A HA 0.360 4.680 4.320 0.001 0.000 0.211 191 A C 1.662 179.324 177.584 0.130 0.000 1.157 191 A CA 0.880 53.047 52.037 0.217 0.000 0.780 191 A CB -0.458 18.616 19.000 0.123 0.000 0.828 191 A HN 0.608 nan 8.150 nan 0.000 0.476 192 G N -0.413 108.455 108.800 0.112 0.000 2.141 192 G HA2 -0.208 3.752 3.960 0.001 0.000 0.231 192 G HA3 -0.208 3.752 3.960 0.001 0.000 0.231 192 G C 0.189 175.147 174.900 0.097 0.000 0.984 192 G CA 0.220 45.377 45.100 0.095 0.000 0.660 192 G HN 1.346 nan 8.290 nan 0.000 0.525 193 I N -1.875 118.760 120.570 0.108 0.000 2.498 193 I HA 0.773 4.944 4.170 0.001 0.000 0.301 193 I C -2.245 173.962 176.117 0.150 0.000 0.984 193 I CA -3.149 58.220 61.300 0.115 0.000 1.204 193 I CB 1.504 39.568 38.000 0.107 0.000 1.362 193 I HN -0.153 nan 8.210 nan 0.000 0.471 194 P HA -0.061 nan 4.420 nan 0.000 0.264 194 P C -1.435 176.015 177.300 0.250 0.000 1.183 194 P CA 0.327 63.534 63.100 0.177 0.000 0.763 194 P CB 0.157 31.932 31.700 0.125 0.000 0.807 195 W N 4.266 125.617 121.300 0.083 0.000 2.365 195 W HA 0.256 4.916 4.660 0.000 0.000 0.316 195 W C -0.381 176.199 176.519 0.103 0.000 1.164 195 W CA -0.379 57.019 57.345 0.089 0.000 1.204 195 W CB 0.704 30.206 29.460 0.070 0.000 1.213 195 W HN 0.351 nan 8.180 nan 0.000 0.539 196 E N 4.912 124.841 120.200 -0.451 0.000 2.191 196 E HA 0.474 4.824 4.350 0.001 0.000 0.278 196 E C -1.574 174.573 176.600 -0.756 0.000 0.972 196 E CA -1.149 54.983 56.400 -0.446 0.000 0.804 196 E CB 2.067 31.635 29.700 -0.219 0.000 1.110 196 E HN 0.396 nan 8.360 nan 0.000 0.394 197 L N 2.813 123.739 121.223 -0.495 0.000 2.464 197 L HA 0.319 4.660 4.340 0.001 0.000 0.266 197 L C -1.080 175.723 176.870 -0.111 0.000 0.965 197 L CA -0.874 53.717 54.840 -0.415 0.000 0.833 197 L CB 1.626 43.310 42.059 -0.625 0.000 1.296 197 L HN 0.202 nan 8.230 nan 0.000 0.405 198 K N 3.844 124.191 120.400 -0.088 0.000 2.447 198 K HA 0.115 4.435 4.320 0.001 0.000 0.281 198 K C -0.391 176.105 176.600 -0.174 0.000 1.031 198 K CA 0.219 56.304 56.287 -0.336 0.000 1.019 198 K CB 0.091 32.356 32.500 -0.391 0.000 0.918 198 K HN 0.721 nan 8.250 nan 0.000 0.476 199 C N 9.087 128.293 119.300 -0.156 0.000 2.519 199 C HA 0.138 4.598 4.460 0.001 0.000 0.402 199 C C -1.940 173.037 174.990 -0.022 0.000 1.475 199 C CA -1.443 57.556 59.018 -0.032 0.000 1.504 199 C CB -0.784 26.945 27.740 -0.019 0.000 2.454 199 C HN 0.699 nan 8.230 nan 0.000 0.615 200 P HA 0.216 nan 4.420 nan 0.000 0.278 200 P C -0.699 176.612 177.300 0.019 0.000 1.238 200 P CA -0.153 62.952 63.100 0.008 0.000 0.794 200 P CB 0.602 32.311 31.700 0.015 0.000 0.955 201 K N 1.030 121.434 120.400 0.007 0.000 2.149 201 K HA 0.348 4.668 4.320 0.001 0.000 0.245 201 K C -0.158 176.448 176.600 0.010 0.000 1.024 201 K CA -0.576 55.718 56.287 0.011 0.000 0.899 201 K CB 0.162 32.663 32.500 0.002 0.000 1.038 201 K HN 0.241 nan 8.250 nan 0.000 0.496 202 V N 2.474 122.396 119.914 0.015 0.000 2.443 202 V HA 0.354 4.475 4.120 0.001 0.000 0.293 202 V C 0.001 176.107 176.094 0.020 0.000 1.021 202 V CA -0.706 61.615 62.300 0.035 0.000 0.848 202 V CB 1.328 33.211 31.823 0.099 0.000 0.998 202 V HN 0.521 nan 8.190 nan 0.000 0.424 203 I N 4.018 124.543 120.570 -0.074 0.000 2.331 203 I HA 0.539 4.709 4.170 0.001 0.000 0.292 203 I C 1.001 176.904 176.117 -0.357 0.000 0.998 203 I CA -0.014 61.190 61.300 -0.161 0.000 1.267 203 I CB 1.525 39.432 38.000 -0.155 0.000 1.386 203 I HN 0.720 nan 8.210 nan 0.000 0.476 204 G N 5.511 113.966 108.800 -0.575 0.000 2.377 204 G HA2 0.542 4.502 3.960 0.001 0.000 0.299 204 G HA3 0.542 4.502 3.960 0.001 0.000 0.299 204 G C -0.828 173.755 174.900 -0.528 0.000 1.150 204 G CA -0.273 44.236 45.100 -0.984 0.000 0.847 204 G HN 0.363 nan 8.290 nan 0.000 0.501 205 V N 2.438 121.998 119.914 -0.589 0.000 2.376 205 V HA 0.316 4.436 4.120 0.001 0.000 0.287 205 V C 0.140 175.836 176.094 -0.664 0.000 1.015 205 V CA -0.923 61.053 62.300 -0.541 0.000 0.834 205 V CB 1.346 32.763 31.823 -0.678 0.000 1.001 205 V HN 0.820 nan 8.190 nan 0.000 0.428 206 K N 5.882 125.918 120.400 -0.607 0.000 2.258 206 K HA 0.615 4.935 4.320 0.001 0.000 0.284 206 K C -1.049 175.381 176.600 -0.284 0.000 1.051 206 K CA -0.437 55.441 56.287 -0.682 0.000 0.923 206 K CB 0.744 33.008 32.500 -0.393 0.000 1.046 206 K HN 0.613 nan 8.250 nan 0.000 0.474 207 L N 3.511 124.612 121.223 -0.202 0.000 2.317 207 L HA 0.405 4.746 4.340 0.001 0.000 0.281 207 L C 0.046 176.898 176.870 -0.030 0.000 1.024 207 L CA -0.740 54.067 54.840 -0.055 0.000 0.810 207 L CB 1.967 44.046 42.059 0.033 0.000 1.240 207 L HN 0.705 nan 8.230 nan 0.000 0.427 208 T N 1.091 115.640 114.554 -0.009 0.000 2.916 208 T HA 0.740 5.091 4.350 0.001 0.000 0.292 208 T C 0.190 174.900 174.700 0.017 0.000 1.055 208 T CA 0.544 62.647 62.100 0.005 0.000 1.009 208 T CB 1.980 70.847 68.868 -0.002 0.000 1.118 208 T HN 1.006 nan 8.240 nan 0.000 0.497 209 G N 2.144 110.957 108.800 0.021 0.000 2.562 209 G HA2 -0.014 3.946 3.960 0.001 0.000 0.250 209 G HA3 -0.014 3.946 3.960 0.001 0.000 0.250 209 G C -0.329 174.586 174.900 0.025 0.000 1.269 209 G CA -0.037 45.076 45.100 0.022 0.000 0.919 209 G HN 1.789 nan 8.290 nan 0.000 0.574 210 S N -1.599 114.115 115.700 0.023 0.000 2.550 210 S HA 0.682 5.152 4.470 0.001 0.000 0.270 210 S C -0.473 174.139 174.600 0.019 0.000 1.145 210 S CA -0.584 57.629 58.200 0.022 0.000 0.852 210 S CB 1.721 64.933 63.200 0.020 0.000 1.119 210 S HN 1.165 nan 8.310 nan 0.000 0.465 211 L N 2.604 123.836 121.223 0.015 0.000 2.461 211 L HA 0.512 4.852 4.340 0.001 0.000 0.272 211 L C 0.537 177.413 176.870 0.008 0.000 1.197 211 L CA 0.135 54.984 54.840 0.015 0.000 0.836 211 L CB 0.802 42.865 42.059 0.006 0.000 1.105 211 L HN 0.989 nan 8.230 nan 0.000 0.477 212 S N 0.802 116.511 115.700 0.015 0.000 2.540 212 S HA 0.783 5.253 4.470 0.001 0.000 0.275 212 S C 0.120 174.726 174.600 0.011 0.000 1.123 212 S CA -0.224 57.980 58.200 0.007 0.000 0.907 212 S CB 1.927 65.137 63.200 0.016 0.000 1.081 212 S HN 1.152 nan 8.310 nan 0.000 0.476 213 G N 2.339 111.120 108.800 -0.032 0.000 2.634 213 G HA2 -0.359 3.601 3.960 0.001 0.000 0.318 213 G HA3 -0.359 3.601 3.960 0.001 0.000 0.318 213 G C 0.471 175.300 174.900 -0.118 0.000 1.207 213 G CA 0.812 45.865 45.100 -0.080 0.000 0.987 213 G HN 0.922 nan 8.290 nan 0.000 0.547 214 W N 1.772 123.055 121.300 -0.028 0.000 2.519 214 W HA 0.279 4.940 4.660 0.000 0.000 0.266 214 W C 1.841 178.350 176.519 -0.017 0.000 1.253 214 W CA 1.134 58.461 57.345 -0.030 0.000 1.274 214 W CB -0.340 29.093 29.460 -0.046 0.000 1.114 214 W HN 0.441 nan 8.180 nan 0.000 0.596 215 T N 1.345 116.007 114.554 0.180 0.000 2.888 215 T HA 0.236 4.586 4.350 0.001 0.000 0.301 215 T C 0.411 175.153 174.700 0.070 0.000 1.001 215 T CA 0.078 62.252 62.100 0.123 0.000 1.147 215 T CB 0.704 69.630 68.868 0.097 0.000 0.931 215 T HN 0.002 nan 8.240 nan 0.000 0.541 216 S N 2.524 118.263 115.700 0.065 0.000 2.709 216 S HA 0.564 5.035 4.470 0.001 0.000 0.302 216 S C -2.375 172.232 174.600 0.010 0.000 1.127 216 S CA -1.780 56.435 58.200 0.025 0.000 0.905 216 S CB 1.685 64.902 63.200 0.028 0.000 1.151 216 S HN 0.232 nan 8.310 nan 0.000 0.510 217 P HA -0.088 nan 4.420 nan 0.000 0.217 217 P C 1.271 178.553 177.300 -0.029 0.000 1.148 217 P CA 1.244 64.318 63.100 -0.043 0.000 0.828 217 P CB 0.042 31.688 31.700 -0.089 0.000 0.783 218 K N 0.151 120.543 120.400 -0.013 0.000 2.160 218 K HA -0.181 4.140 4.320 0.001 0.000 0.206 218 K C 1.532 178.137 176.600 0.008 0.000 1.047 218 K CA 1.679 57.965 56.287 -0.002 0.000 0.930 218 K CB -0.989 31.519 32.500 0.014 0.000 0.720 218 K HN 0.072 nan 8.250 nan 0.000 0.450 219 D N -0.425 119.992 120.400 0.028 0.000 2.178 219 D HA -0.115 4.525 4.640 0.001 0.000 0.202 219 D C 1.860 178.136 176.300 -0.040 0.000 0.974 219 D CA 1.122 55.141 54.000 0.032 0.000 0.841 219 D CB -0.041 40.826 40.800 0.112 0.000 0.953 219 D HN 0.058 nan 8.370 nan 0.000 0.478 220 V N 1.300 121.206 119.914 -0.014 0.000 2.287 220 V HA -0.225 3.895 4.120 0.001 0.000 0.248 220 V C 2.404 178.493 176.094 -0.007 0.000 1.053 220 V CA 1.180 63.476 62.300 -0.006 0.000 1.027 220 V CB -0.280 31.555 31.823 0.019 0.000 0.646 220 V HN 0.124 nan 8.190 nan 0.000 0.447 221 I N -0.936 119.631 120.570 -0.005 0.000 2.876 221 I HA -0.031 4.140 4.170 0.001 0.000 0.264 221 I C 1.932 178.035 176.117 -0.023 0.000 1.204 221 I CA 1.208 62.517 61.300 0.015 0.000 1.485 221 I CB -0.195 37.818 38.000 0.023 0.000 1.103 221 I HN 0.146 nan 8.210 nan 0.000 0.446 222 L N 0.004 121.194 121.223 -0.055 0.000 2.093 222 L HA -0.182 4.159 4.340 0.001 0.000 0.208 222 L C 2.440 179.203 176.870 -0.177 0.000 1.085 222 L CA 1.222 56.015 54.840 -0.079 0.000 0.755 222 L CB -0.676 41.361 42.059 -0.036 0.000 0.904 222 L HN 0.173 nan 8.230 nan 0.000 0.435 223 K N 0.303 120.529 120.400 -0.290 0.000 2.025 223 K HA -0.100 4.220 4.320 0.001 0.000 0.207 223 K C 1.866 178.390 176.600 -0.127 0.000 1.049 223 K CA 1.352 57.451 56.287 -0.313 0.000 0.933 223 K CB -0.455 31.856 32.500 -0.315 0.000 0.714 223 K HN -0.013 nan 8.250 nan 0.000 0.438 224 V N 1.102 120.977 119.914 -0.064 0.000 2.343 224 V HA -0.247 3.873 4.120 0.001 0.000 0.247 224 V C 2.339 178.421 176.094 -0.019 0.000 1.051 224 V CA 2.045 64.332 62.300 -0.022 0.000 1.036 224 V CB -0.888 30.957 31.823 0.036 0.000 0.654 224 V HN 0.495 nan 8.190 nan 0.000 0.451 225 A N 0.277 123.088 122.820 -0.015 0.000 1.933 225 A HA -0.092 4.228 4.320 0.001 0.000 0.218 225 A C 2.387 179.965 177.584 -0.009 0.000 1.175 225 A CA 1.921 53.957 52.037 -0.002 0.000 0.628 225 A CB -1.085 17.917 19.000 0.003 0.000 0.814 225 A HN 0.541 nan 8.150 nan 0.000 0.444 226 G N -0.046 108.736 108.800 -0.029 0.000 2.402 226 G HA2 -0.128 3.832 3.960 0.001 0.000 0.216 226 G HA3 -0.128 3.832 3.960 0.001 0.000 0.216 226 G C 1.523 176.418 174.900 -0.008 0.000 1.162 226 G CA 1.052 46.141 45.100 -0.020 0.000 0.777 226 G HN 0.472 nan 8.290 nan 0.000 0.539 227 I N -0.180 120.380 120.570 -0.017 0.000 2.142 227 I HA -0.092 4.078 4.170 0.001 0.000 0.240 227 I C 2.476 178.588 176.117 -0.008 0.000 1.078 227 I CA 0.613 61.906 61.300 -0.012 0.000 1.343 227 I CB -0.145 37.842 38.000 -0.022 0.000 1.046 227 I HN 0.074 nan 8.210 nan 0.000 0.405 228 L N 0.270 121.487 121.223 -0.010 0.000 2.240 228 L HA 0.021 4.361 4.340 0.001 0.000 0.211 228 L C 1.015 177.889 176.870 0.006 0.000 1.106 228 L CA 1.393 56.229 54.840 -0.006 0.000 0.793 228 L CB -0.868 41.184 42.059 -0.012 0.000 0.927 228 L HN 0.679 nan 8.230 nan 0.000 0.446 229 T N -5.346 109.216 114.554 0.013 0.000 0.541 229 T HA -0.236 4.114 4.350 0.001 0.000 0.774 229 T C 0.931 175.653 174.700 0.037 0.000 0.992 229 T CA 0.705 62.820 62.100 0.025 0.000 4.077 229 T CB -1.344 67.538 68.868 0.024 0.000 2.303 229 T HN 0.464 nan 8.240 nan 0.000 0.398 230 V N -0.268 119.679 119.914 0.055 0.000 3.078 230 V HA 0.057 4.177 4.120 0.001 0.000 0.265 230 V C 2.026 178.156 176.094 0.060 0.000 1.122 230 V CA 1.982 64.327 62.300 0.075 0.000 1.141 230 V CB -1.323 30.569 31.823 0.115 0.000 0.735 230 V HN 1.135 nan 8.190 nan 0.000 0.498 231 K N 0.339 120.764 120.400 0.042 0.000 2.387 231 K HA 0.431 4.751 4.320 0.001 0.000 0.203 231 K C 1.701 178.319 176.600 0.029 0.000 1.030 231 K CA 0.564 56.873 56.287 0.037 0.000 1.099 231 K CB 0.486 33.002 32.500 0.028 0.000 0.863 231 K HN 0.299 nan 8.250 nan 0.000 0.529 232 G N 1.058 109.872 108.800 0.023 0.000 2.511 232 G HA2 -0.081 3.879 3.960 0.001 0.000 0.217 232 G HA3 -0.081 3.879 3.960 0.001 0.000 0.217 232 G C 1.151 176.055 174.900 0.007 0.000 1.133 232 G CA 0.472 45.579 45.100 0.012 0.000 0.792 232 G HN 0.426 nan 8.290 nan 0.000 0.539 233 G N -0.178 108.631 108.800 0.014 0.000 3.126 233 G HA2 0.235 4.196 3.960 0.001 0.000 0.224 233 G HA3 0.235 4.196 3.960 0.001 0.000 0.224 233 G C 0.570 175.481 174.900 0.018 0.000 1.142 233 G CA 0.014 45.118 45.100 0.008 0.000 0.759 233 G HN 0.241 nan 8.290 nan 0.000 0.550 234 T N 1.059 115.630 114.554 0.029 0.000 2.905 234 T HA 0.358 4.708 4.350 0.001 0.000 0.299 234 T C 1.584 176.301 174.700 0.028 0.000 1.024 234 T CA 1.122 63.246 62.100 0.039 0.000 1.151 234 T CB 0.738 69.636 68.868 0.050 0.000 0.987 234 T HN 0.968 nan 8.240 nan 0.000 0.535 235 G N 1.549 110.366 108.800 0.029 0.000 2.168 235 G HA2 -0.021 3.940 3.960 0.001 0.000 0.263 235 G HA3 -0.021 3.940 3.960 0.001 0.000 0.263 235 G C 0.122 175.025 174.900 0.005 0.000 0.977 235 G CA 0.041 45.148 45.100 0.013 0.000 0.659 235 G HN 1.255 nan 8.290 nan 0.000 0.533 236 A N -0.609 122.215 122.820 0.008 0.000 2.401 236 A HA 0.848 5.168 4.320 0.001 0.000 0.310 236 A C -0.085 177.499 177.584 0.000 0.000 1.075 236 A CA -0.733 51.304 52.037 -0.001 0.000 0.746 236 A CB 1.281 20.273 19.000 -0.013 0.000 1.277 236 A HN 0.624 nan 8.150 nan 0.000 0.425 237 I N 1.642 122.210 120.570 -0.004 0.000 2.396 237 I HA 0.287 4.458 4.170 0.001 0.000 0.292 237 I C -0.482 175.608 176.117 -0.046 0.000 0.999 237 I CA -0.666 60.630 61.300 -0.006 0.000 1.310 237 I CB 1.704 39.706 38.000 0.003 0.000 1.404 237 I HN 0.298 nan 8.210 nan 0.000 0.496 238 V N 5.848 125.723 119.914 -0.064 0.000 2.406 238 V HA 0.205 4.326 4.120 0.001 0.000 0.272 238 V C 0.115 176.068 176.094 -0.234 0.000 1.043 238 V CA -0.433 61.752 62.300 -0.192 0.000 0.915 238 V CB 1.142 32.855 31.823 -0.183 0.000 0.988 238 V HN 0.725 nan 8.190 nan 0.000 0.466 239 E N 4.201 124.191 120.200 -0.350 0.000 2.141 239 E HA 0.381 4.731 4.350 0.001 0.000 0.259 239 E C -1.497 174.853 176.600 -0.416 0.000 0.883 239 E CA -0.637 55.616 56.400 -0.244 0.000 0.744 239 E CB 0.829 30.495 29.700 -0.056 0.000 1.150 239 E HN 0.637 nan 8.360 nan 0.000 0.420 240 Y N 4.646 124.687 120.300 -0.432 0.000 2.359 240 Y HA 0.198 4.748 4.550 0.000 0.000 0.330 240 Y C 0.908 176.625 175.900 -0.306 0.000 1.143 240 Y CA 0.282 58.023 58.100 -0.600 0.000 1.318 240 Y CB 0.591 38.196 38.460 -1.426 0.000 1.234 240 Y HN 0.530 nan 8.280 nan 0.000 0.522 241 H N 0.015 118.999 119.070 -0.144 0.000 2.984 241 H HA 0.786 5.343 4.556 0.001 0.000 0.277 241 H C -0.066 175.274 175.328 0.020 0.000 1.502 241 H CA -1.256 54.780 56.048 -0.021 0.000 1.195 241 H CB 1.364 31.130 29.762 0.008 0.000 1.866 241 H HN 0.871 nan 8.280 nan 0.000 0.594 242 G N 0.108 108.960 108.800 0.086 0.000 2.619 242 G HA2 -0.132 3.828 3.960 0.001 0.000 0.686 242 G HA3 -0.132 3.828 3.960 0.001 0.000 0.686 242 G C -2.096 172.842 174.900 0.064 0.000 1.256 242 G CA -0.296 44.825 45.100 0.035 0.000 0.826 242 G HN 0.554 nan 8.290 nan 0.000 0.619 243 P HA -0.080 nan 4.420 nan 0.000 0.219 243 P C 1.793 179.129 177.300 0.060 0.000 1.146 243 P CA 1.956 65.092 63.100 0.060 0.000 0.808 243 P CB -0.183 31.546 31.700 0.048 0.000 0.779 244 G N 0.045 108.875 108.800 0.050 0.000 2.598 244 G HA2 -0.101 3.859 3.960 0.001 0.000 0.215 244 G HA3 -0.101 3.859 3.960 0.001 0.000 0.215 244 G C 1.620 176.568 174.900 0.079 0.000 1.131 244 G CA 0.082 45.214 45.100 0.053 0.000 0.785 244 G HN 0.166 nan 8.290 nan 0.000 0.539 245 V N 1.170 121.153 119.914 0.116 0.000 2.407 245 V HA -0.178 3.942 4.120 0.001 0.000 0.248 245 V C 2.325 178.464 176.094 0.074 0.000 1.055 245 V CA 2.224 64.629 62.300 0.175 0.000 1.049 245 V CB -0.380 31.594 31.823 0.253 0.000 0.662 245 V HN 0.328 nan 8.190 nan 0.000 0.455 246 D N -0.680 119.759 120.400 0.065 0.000 2.348 246 D HA -0.105 4.535 4.640 0.001 0.000 0.216 246 D C 2.162 178.471 176.300 0.016 0.000 0.970 246 D CA 1.083 55.106 54.000 0.038 0.000 0.889 246 D CB -0.055 40.843 40.800 0.164 0.000 0.912 246 D HN 0.445 nan 8.370 nan 0.000 0.524 247 S N -0.453 115.259 115.700 0.020 0.000 2.489 247 S HA 0.040 4.511 4.470 0.001 0.000 0.228 247 S C 0.636 175.216 174.600 -0.033 0.000 0.995 247 S CA -0.069 58.136 58.200 0.007 0.000 0.934 247 S CB -0.036 63.176 63.200 0.020 0.000 0.771 247 S HN 0.097 nan 8.310 nan 0.000 0.522 248 I N 2.748 123.273 120.570 -0.074 0.000 2.359 248 I HA 0.278 4.449 4.170 0.001 0.000 0.294 248 I C 0.540 176.547 176.117 -0.183 0.000 0.987 248 I CA -0.734 60.486 61.300 -0.134 0.000 1.225 248 I CB 1.917 39.807 38.000 -0.183 0.000 1.366 248 I HN 0.219 nan 8.210 nan 0.000 0.466 249 S N 3.700 119.308 115.700 -0.154 0.000 2.589 249 S HA -0.038 4.432 4.470 0.001 0.000 0.265 249 S C 1.227 175.685 174.600 -0.236 0.000 1.342 249 S CA -0.691 57.422 58.200 -0.145 0.000 1.005 249 S CB 1.104 64.257 63.200 -0.077 0.000 0.909 249 S HN 0.897 nan 8.310 nan 0.000 0.555 250 C N 2.122 121.284 119.300 -0.230 0.000 2.413 250 C HA -0.100 4.360 4.460 0.001 0.000 0.276 250 C C 2.951 177.693 174.990 -0.413 0.000 1.248 250 C CA 1.701 60.516 59.018 -0.338 0.000 1.742 250 C CB -2.178 25.363 27.740 -0.333 0.000 2.017 250 C HN 1.060 nan 8.230 nan 0.000 0.481 251 T N -1.742 112.600 114.554 -0.353 0.000 2.951 251 T HA 0.084 4.434 4.350 0.001 0.000 0.268 251 T C 1.934 176.504 174.700 -0.217 0.000 1.073 251 T CA 1.483 63.416 62.100 -0.278 0.000 1.134 251 T CB -0.786 67.997 68.868 -0.141 0.000 0.884 251 T HN 0.596 nan 8.240 nan 0.000 0.479 252 G N 1.464 110.135 108.800 -0.216 0.000 2.408 252 G HA2 -0.064 3.897 3.960 0.001 0.000 0.217 252 G HA3 -0.064 3.897 3.960 0.001 0.000 0.217 252 G C 1.594 176.309 174.900 -0.310 0.000 1.150 252 G CA 0.644 45.619 45.100 -0.209 0.000 0.776 252 G HN 0.480 nan 8.290 nan 0.000 0.542 253 M N 0.805 120.112 119.600 -0.489 0.000 2.175 253 M HA 0.060 4.540 4.480 0.001 0.000 0.264 253 M C 3.024 179.077 176.300 -0.410 0.000 1.063 253 M CA 1.220 56.038 55.300 -0.804 0.000 1.119 253 M CB -0.192 31.662 32.600 -1.243 0.000 1.377 253 M HN 0.297 nan 8.290 nan 0.000 0.415 254 A N 0.091 122.733 122.820 -0.298 0.000 1.933 254 A HA -0.139 4.182 4.320 0.001 0.000 0.218 254 A C 2.206 179.713 177.584 -0.129 0.000 1.175 254 A CA 2.164 54.094 52.037 -0.178 0.000 0.628 254 A CB -1.107 17.779 19.000 -0.191 0.000 0.814 254 A HN 0.432 nan 8.150 nan 0.000 0.444 255 T N 0.383 114.854 114.554 -0.139 0.000 2.708 255 T HA -0.123 4.227 4.350 0.001 0.000 0.266 255 T C 1.798 176.453 174.700 -0.076 0.000 1.037 255 T CA 1.652 63.694 62.100 -0.096 0.000 1.146 255 T CB -0.416 68.398 68.868 -0.090 0.000 0.865 255 T HN 0.436 nan 8.240 nan 0.000 0.435 256 I N 0.632 121.142 120.570 -0.101 0.000 2.179 256 I HA -0.185 3.986 4.170 0.001 0.000 0.242 256 I C 2.667 178.770 176.117 -0.022 0.000 1.088 256 I CA 0.887 62.138 61.300 -0.083 0.000 1.357 256 I CB -0.426 37.475 38.000 -0.165 0.000 1.051 256 I HN 0.325 nan 8.210 nan 0.000 0.409 257 C N 0.529 119.838 119.300 0.014 0.000 2.425 257 C HA -0.150 4.311 4.460 0.001 0.000 0.277 257 C C 2.724 177.742 174.990 0.048 0.000 1.280 257 C CA 0.942 60.008 59.018 0.079 0.000 1.744 257 C CB -1.501 26.296 27.740 0.096 0.000 1.989 257 C HN 0.594 nan 8.230 nan 0.000 0.491 258 N N 1.049 119.753 118.700 0.007 0.000 2.043 258 N HA -0.150 4.590 4.740 0.001 0.000 0.193 258 N C 1.643 177.226 175.510 0.122 0.000 1.037 258 N CA 1.655 54.718 53.050 0.021 0.000 0.851 258 N CB -0.423 38.037 38.487 -0.046 0.000 1.027 258 N HN 0.503 nan 8.380 nan 0.000 0.422 259 M N 0.167 119.808 119.600 0.068 0.000 2.618 259 M HA 0.093 4.573 4.480 0.001 0.000 0.240 259 M C 1.420 177.779 176.300 0.099 0.000 1.123 259 M CA 0.260 55.614 55.300 0.090 0.000 1.060 259 M CB -0.015 32.600 32.600 0.025 0.000 1.535 259 M HN 0.172 nan 8.290 nan 0.000 0.507 260 G N -0.238 108.620 108.800 0.098 0.000 2.559 260 G HA2 -0.122 3.839 3.960 0.001 0.000 0.216 260 G HA3 -0.122 3.839 3.960 0.001 0.000 0.216 260 G C 1.390 176.331 174.900 0.069 0.000 1.126 260 G CA 0.750 45.906 45.100 0.093 0.000 0.778 260 G HN 0.590 nan 8.290 nan 0.000 0.543 261 A N 0.693 123.552 122.820 0.065 0.000 2.019 261 A HA 0.029 4.349 4.320 0.001 0.000 0.219 261 A C 2.066 179.675 177.584 0.041 0.000 1.164 261 A CA 1.719 53.752 52.037 -0.007 0.000 0.644 261 A CB -0.155 18.708 19.000 -0.228 0.000 0.805 261 A HN 0.303 nan 8.150 nan 0.000 0.449 262 E N -0.480 119.774 120.200 0.090 0.000 2.511 262 E HA 0.031 4.382 4.350 0.001 0.000 0.196 262 E C 1.341 177.994 176.600 0.088 0.000 1.066 262 E CA 0.615 57.073 56.400 0.095 0.000 0.871 262 E CB -0.137 29.607 29.700 0.073 0.000 0.863 262 E HN 0.882 nan 8.360 nan 0.000 0.520 263 I N -5.423 115.188 120.570 0.068 0.000 4.025 263 I HA 0.438 4.608 4.170 0.001 0.000 0.336 263 I C 1.069 177.219 176.117 0.054 0.000 1.390 263 I CA 0.359 61.693 61.300 0.057 0.000 1.099 263 I CB 0.391 38.414 38.000 0.039 0.000 1.049 263 I HN 0.062 nan 8.210 nan 0.000 0.394 264 G N 1.820 110.655 108.800 0.059 0.000 2.159 264 G HA2 -0.246 3.714 3.960 0.001 0.000 0.256 264 G HA3 -0.246 3.714 3.960 0.001 0.000 0.256 264 G C 0.518 175.446 174.900 0.048 0.000 0.977 264 G CA 0.008 45.144 45.100 0.059 0.000 0.652 264 G HN 0.941 nan 8.290 nan 0.000 0.531 265 A N -0.049 122.793 122.820 0.038 0.000 2.531 265 A HA 0.564 4.885 4.320 0.001 0.000 0.236 265 A C 1.694 179.300 177.584 0.037 0.000 1.062 265 A CA 1.576 53.631 52.037 0.031 0.000 0.760 265 A CB 0.160 19.176 19.000 0.028 0.000 0.995 265 A HN 0.806 nan 8.150 nan 0.000 0.501 266 T N 0.535 115.113 114.554 0.040 0.000 2.788 266 T HA 0.065 4.415 4.350 0.001 0.000 0.268 266 T C 0.944 175.677 174.700 0.055 0.000 1.044 266 T CA 2.009 64.143 62.100 0.057 0.000 1.139 266 T CB -0.206 68.697 68.868 0.059 0.000 0.867 266 T HN 1.041 nan 8.240 nan 0.000 0.454 267 T N -0.919 113.661 114.554 0.044 0.000 2.652 267 T HA 0.453 4.803 4.350 0.001 0.000 0.303 267 T C -1.972 172.759 174.700 0.053 0.000 1.738 267 T CA -0.729 61.396 62.100 0.041 0.000 0.969 267 T CB 1.214 70.106 68.868 0.040 0.000 1.778 267 T HN 0.031 nan 8.240 nan 0.000 0.494 268 S N 0.040 115.787 115.700 0.079 0.000 2.599 268 S HA 0.913 5.383 4.470 0.001 0.000 0.287 268 S C -1.370 173.318 174.600 0.147 0.000 1.105 268 S CA -0.671 57.608 58.200 0.132 0.000 0.899 268 S CB 1.876 65.217 63.200 0.236 0.000 1.100 268 S HN 0.900 nan 8.310 nan 0.000 0.482 269 V N 1.977 121.991 119.914 0.166 0.000 3.048 269 V HA 0.700 4.821 4.120 0.001 0.000 0.303 269 V C -2.177 174.024 176.094 0.178 0.000 1.214 269 V CA -0.642 61.767 62.300 0.181 0.000 0.984 269 V CB 1.804 33.694 31.823 0.112 0.000 1.054 269 V HN 0.817 nan 8.190 nan 0.000 0.430 270 F N 5.975 126.002 119.950 0.128 0.000 2.492 270 F HA 0.734 5.261 4.527 0.000 0.000 0.327 270 F C -2.024 173.852 175.800 0.126 0.000 1.079 270 F CA -2.077 55.999 58.000 0.128 0.000 0.967 270 F CB 2.337 41.365 39.000 0.047 0.000 1.169 270 F HN 0.349 nan 8.300 nan 0.000 0.472 271 P HA -0.018 nan 4.420 nan 0.000 0.275 271 P C -0.953 176.508 177.300 0.268 0.000 1.227 271 P CA -0.115 63.134 63.100 0.250 0.000 0.781 271 P CB 0.468 32.288 31.700 0.200 0.000 0.906 272 Y N 4.514 124.893 120.300 0.131 0.000 2.717 272 Y HA 0.065 4.616 4.550 0.001 0.000 0.330 272 Y C 0.330 176.296 175.900 0.109 0.000 1.217 272 Y CA 0.576 58.745 58.100 0.116 0.000 1.506 272 Y CB -0.284 38.242 38.460 0.110 0.000 1.268 272 Y HN 0.532 nan 8.280 nan 0.000 0.561 273 N N 2.390 120.868 118.700 -0.370 0.000 3.243 273 N HA 0.107 4.847 4.740 0.001 0.000 0.280 273 N C 0.489 175.762 175.510 -0.394 0.000 1.545 273 N CA -0.168 52.687 53.050 -0.325 0.000 0.854 273 N CB 0.009 38.434 38.487 -0.103 0.000 1.612 273 N HN 0.601 nan 8.380 nan 0.000 0.577 274 H N -0.841 118.097 119.070 -0.221 0.000 2.491 274 H HA 0.176 4.732 4.556 0.000 0.000 0.290 274 H C 0.521 175.817 175.328 -0.053 0.000 1.050 274 H CA 0.701 56.668 56.048 -0.135 0.000 1.309 274 H CB 0.092 29.808 29.762 -0.077 0.000 1.392 274 H HN 0.338 nan 8.280 nan 0.000 0.554 275 R N 0.639 120.815 120.500 -0.539 0.000 2.092 275 R HA 0.009 4.350 4.340 0.001 0.000 0.231 275 R C 2.508 178.770 176.300 -0.063 0.000 1.119 275 R CA 1.007 56.934 56.100 -0.288 0.000 0.970 275 R CB -0.478 29.631 30.300 -0.317 0.000 0.864 275 R HN 0.440 nan 8.270 nan 0.000 0.440 276 M N 0.511 120.097 119.600 -0.023 0.000 2.132 276 M HA -0.093 4.388 4.480 0.001 0.000 0.263 276 M C 2.372 178.826 176.300 0.258 0.000 1.065 276 M CA 1.457 56.849 55.300 0.154 0.000 1.122 276 M CB -0.339 32.425 32.600 0.273 0.000 1.365 276 M HN 0.018 nan 8.290 nan 0.000 0.411 277 K N 1.035 121.559 120.400 0.208 0.000 2.063 277 K HA -0.217 4.103 4.320 0.001 0.000 0.208 277 K C 2.119 178.825 176.600 0.177 0.000 1.048 277 K CA 1.469 57.907 56.287 0.252 0.000 0.928 277 K CB -0.105 32.493 32.500 0.164 0.000 0.713 277 K HN 0.163 nan 8.250 nan 0.000 0.442 278 K N -0.180 120.300 120.400 0.134 0.000 2.026 278 K HA -0.216 4.104 4.320 0.001 0.000 0.208 278 K C 2.176 178.859 176.600 0.138 0.000 1.048 278 K CA 1.553 57.910 56.287 0.115 0.000 0.929 278 K CB -0.331 32.226 32.500 0.096 0.000 0.713 278 K HN 0.212 nan 8.250 nan 0.000 0.439 279 Y N 1.678 122.014 120.300 0.060 0.000 2.181 279 Y HA -0.190 4.360 4.550 0.000 0.000 0.288 279 Y C 1.971 177.923 175.900 0.086 0.000 1.146 279 Y CA 1.479 59.625 58.100 0.077 0.000 1.164 279 Y CB -0.232 38.261 38.460 0.054 0.000 0.982 279 Y HN 0.010 nan 8.280 nan 0.000 0.515 280 L N -1.031 120.277 121.223 0.142 0.000 2.012 280 L HA -0.281 4.060 4.340 0.001 0.000 0.210 280 L C 2.506 179.378 176.870 0.003 0.000 1.073 280 L CA 1.714 56.593 54.840 0.064 0.000 0.748 280 L CB -0.722 41.430 42.059 0.155 0.000 0.891 280 L HN 0.129 nan 8.230 nan 0.000 0.431 281 S N -0.450 115.274 115.700 0.040 0.000 2.368 281 S HA -0.202 4.268 4.470 0.001 0.000 0.225 281 S C 1.923 176.517 174.600 -0.009 0.000 1.030 281 S CA 1.318 59.533 58.200 0.024 0.000 0.999 281 S CB -0.190 63.035 63.200 0.042 0.000 0.844 281 S HN 0.195 nan 8.310 nan 0.000 0.459 282 K N 2.036 122.417 120.400 -0.031 0.000 2.439 282 K HA -0.001 4.319 4.320 0.001 0.000 0.197 282 K C 1.217 177.820 176.600 0.005 0.000 1.041 282 K CA 1.041 57.315 56.287 -0.021 0.000 0.970 282 K CB -0.413 32.068 32.500 -0.032 0.000 0.773 282 K HN 0.464 nan 8.250 nan 0.000 0.479 283 T N -3.287 111.183 114.554 -0.140 0.000 3.258 283 T HA 0.351 4.701 4.350 0.001 0.000 0.263 283 T C 0.909 175.553 174.700 -0.094 0.000 0.983 283 T CA -0.130 61.854 62.100 -0.194 0.000 0.907 283 T CB 0.091 68.681 68.868 -0.463 0.000 1.096 283 T HN 0.229 nan 8.240 nan 0.000 0.556 284 G N 2.163 110.960 108.800 -0.004 0.000 2.143 284 G HA2 -0.280 3.681 3.960 0.001 0.000 0.248 284 G HA3 -0.280 3.681 3.960 0.001 0.000 0.248 284 G C 0.384 175.354 174.900 0.116 0.000 0.991 284 G CA -0.042 45.114 45.100 0.093 0.000 0.689 284 G HN 0.618 nan 8.290 nan 0.000 0.522 285 R N -0.528 119.984 120.500 0.021 0.000 2.776 285 R HA 0.546 4.886 4.340 0.001 0.000 0.391 285 R C 1.969 178.288 176.300 0.033 0.000 1.116 285 R CA 0.330 56.439 56.100 0.014 0.000 1.056 285 R CB 0.290 30.552 30.300 -0.063 0.000 1.369 285 R HN 0.347 nan 8.270 nan 0.000 0.590 286 A N 1.487 124.331 122.820 0.040 0.000 1.978 286 A HA -0.230 4.090 4.320 0.001 0.000 0.220 286 A C 1.693 179.308 177.584 0.052 0.000 1.170 286 A CA 1.939 54.006 52.037 0.050 0.000 0.636 286 A CB -0.162 18.860 19.000 0.038 0.000 0.810 286 A HN 0.477 nan 8.150 nan 0.000 0.448 287 D N 0.385 120.806 120.400 0.035 0.000 2.178 287 D HA -0.153 4.487 4.640 0.001 0.000 0.201 287 D C 1.693 178.005 176.300 0.021 0.000 0.980 287 D CA 1.274 55.289 54.000 0.025 0.000 0.842 287 D CB -0.620 40.184 40.800 0.006 0.000 0.948 287 D HN 0.541 nan 8.370 nan 0.000 0.472 288 I N 0.853 121.425 120.570 0.003 0.000 2.333 288 I HA -0.099 4.071 4.170 0.001 0.000 0.246 288 I C 2.672 178.826 176.117 0.061 0.000 1.106 288 I CA 0.852 62.139 61.300 -0.022 0.000 1.411 288 I CB -0.261 37.691 38.000 -0.080 0.000 1.082 288 I HN 0.010 nan 8.210 nan 0.000 0.420 289 A N 1.108 123.990 122.820 0.103 0.000 1.933 289 A HA -0.201 4.119 4.320 0.001 0.000 0.218 289 A C 2.030 179.736 177.584 0.203 0.000 1.175 289 A CA 1.778 53.929 52.037 0.190 0.000 0.628 289 A CB -0.583 18.545 19.000 0.214 0.000 0.814 289 A HN 0.396 nan 8.150 nan 0.000 0.444 290 N N -0.322 118.466 118.700 0.147 0.000 2.142 290 N HA -0.103 4.637 4.740 0.001 0.000 0.186 290 N C 1.589 177.202 175.510 0.172 0.000 1.023 290 N CA 1.345 54.480 53.050 0.143 0.000 0.852 290 N CB -0.520 38.025 38.487 0.097 0.000 0.998 290 N HN 0.411 nan 8.380 nan 0.000 0.424 291 L N 1.259 122.586 121.223 0.173 0.000 2.046 291 L HA 0.006 4.346 4.340 0.001 0.000 0.208 291 L C 2.067 179.185 176.870 0.413 0.000 1.077 291 L CA 1.501 56.508 54.840 0.279 0.000 0.747 291 L CB -0.948 41.225 42.059 0.190 0.000 0.896 291 L HN 0.118 nan 8.230 nan 0.000 0.432 292 A N -0.905 122.094 122.820 0.298 0.000 1.933 292 A HA -0.226 4.094 4.320 0.001 0.000 0.218 292 A C 1.966 179.655 177.584 0.175 0.000 1.175 292 A CA 1.825 53.908 52.037 0.077 0.000 0.628 292 A CB -0.837 17.894 19.000 -0.447 0.000 0.814 292 A HN 0.522 nan 8.150 nan 0.000 0.444 293 D N -0.101 120.479 120.400 0.300 0.000 2.149 293 D HA -0.136 4.504 4.640 0.001 0.000 0.198 293 D C 1.867 178.277 176.300 0.182 0.000 0.990 293 D CA 1.355 55.535 54.000 0.301 0.000 0.839 293 D CB -0.316 40.624 40.800 0.233 0.000 0.948 293 D HN 0.636 nan 8.370 nan 0.000 0.460 294 E N -0.980 119.322 120.200 0.171 0.000 2.274 294 E HA -0.079 4.271 4.350 0.001 0.000 0.194 294 E C 0.687 177.222 176.600 -0.108 0.000 0.996 294 E CA 0.453 56.869 56.400 0.026 0.000 0.840 294 E CB 0.037 29.748 29.700 0.018 0.000 0.772 294 E HN 0.325 nan 8.360 nan 0.000 0.491 295 F N 0.178 120.141 119.950 0.020 0.000 2.708 295 F HA 0.176 4.704 4.527 0.000 0.000 0.300 295 F C 1.619 177.378 175.800 -0.068 0.000 1.118 295 F CA -0.318 57.668 58.000 -0.023 0.000 1.307 295 F CB 0.476 39.376 39.000 -0.166 0.000 0.986 295 F HN -0.200 nan 8.300 nan 0.000 0.522 296 K N 1.027 121.502 120.400 0.124 0.000 2.113 296 K HA -0.207 4.114 4.320 0.001 0.000 0.208 296 K C 1.368 177.999 176.600 0.051 0.000 1.047 296 K CA 2.057 58.434 56.287 0.150 0.000 0.928 296 K CB -0.260 32.348 32.500 0.180 0.000 0.716 296 K HN 0.107 nan 8.250 nan 0.000 0.446 297 D N -0.213 120.133 120.400 -0.089 0.000 2.178 297 D HA -0.155 4.485 4.640 0.001 0.000 0.201 297 D C 1.466 177.648 176.300 -0.197 0.000 0.980 297 D CA 1.047 54.935 54.000 -0.187 0.000 0.842 297 D CB -0.266 40.325 40.800 -0.347 0.000 0.948 297 D HN 0.455 nan 8.370 nan 0.000 0.472 298 H N -0.320 118.785 119.070 0.058 0.000 2.556 298 H HA 0.152 4.709 4.556 0.001 0.000 0.268 298 H C 1.483 176.828 175.328 0.027 0.000 0.996 298 H CA 0.323 56.397 56.048 0.044 0.000 1.157 298 H CB 0.441 30.233 29.762 0.051 0.000 1.355 298 H HN 0.184 nan 8.280 nan 0.000 0.597 299 L N 0.766 122.059 121.223 0.115 0.000 2.857 299 L HA 0.179 4.519 4.340 0.001 0.000 0.249 299 L C 0.231 177.198 176.870 0.163 0.000 1.172 299 L CA -0.195 54.719 54.840 0.123 0.000 0.980 299 L CB 0.717 42.830 42.059 0.090 0.000 1.299 299 L HN -0.060 nan 8.230 nan 0.000 0.535 300 V N -4.184 115.804 119.914 0.123 0.000 3.102 300 V HA 0.703 4.824 4.120 0.001 0.000 0.312 300 V C -2.706 173.433 176.094 0.076 0.000 1.135 300 V CA -2.365 60.003 62.300 0.113 0.000 1.022 300 V CB 1.813 33.696 31.823 0.100 0.000 1.056 300 V HN -0.162 nan 8.190 nan 0.000 0.436 301 P HA 0.237 nan 4.420 nan 0.000 0.272 301 P C -0.873 176.427 177.300 0.000 0.000 1.230 301 P CA 0.076 63.189 63.100 0.022 0.000 0.788 301 P CB 0.485 32.193 31.700 0.014 0.000 0.949 302 D N -0.008 120.378 120.400 -0.023 0.000 2.372 302 D HA 0.058 4.698 4.640 0.001 0.000 0.243 302 D C 0.513 176.788 176.300 -0.041 0.000 1.121 302 D CA 0.265 54.250 54.000 -0.024 0.000 0.898 302 D CB 0.320 41.107 40.800 -0.021 0.000 1.202 302 D HN 0.148 nan 8.370 nan 0.000 0.428 303 S N -0.051 115.634 115.700 -0.025 0.000 2.537 303 S HA 0.333 4.803 4.470 0.001 0.000 0.286 303 S C 1.192 175.769 174.600 -0.038 0.000 1.299 303 S CA 0.572 58.758 58.200 -0.023 0.000 1.067 303 S CB 0.138 63.333 63.200 -0.009 0.000 0.864 303 S HN 0.644 nan 8.310 nan 0.000 0.494 304 G N 2.868 111.641 108.800 -0.046 0.000 2.198 304 G HA2 -0.276 3.685 3.960 0.001 0.000 0.260 304 G HA3 -0.276 3.685 3.960 0.001 0.000 0.260 304 G C 0.463 175.304 174.900 -0.098 0.000 1.025 304 G CA 0.113 45.181 45.100 -0.053 0.000 0.769 304 G HN 1.414 nan 8.290 nan 0.000 0.507 305 C N -0.643 118.550 119.300 -0.178 0.000 2.657 305 C HA 0.670 5.130 4.460 0.001 0.000 0.404 305 C C 0.865 175.630 174.990 -0.375 0.000 1.291 305 C CA -1.135 57.729 59.018 -0.258 0.000 2.218 305 C CB 0.601 28.146 27.740 -0.326 0.000 2.687 305 C HN 0.570 nan 8.230 nan 0.000 0.634 306 H N 1.565 120.410 119.070 -0.376 0.000 2.517 306 H HA 0.388 4.944 4.556 0.001 0.000 0.317 306 H C -1.334 173.777 175.328 -0.362 0.000 1.080 306 H CA -0.223 55.641 56.048 -0.307 0.000 1.301 306 H CB 0.503 30.186 29.762 -0.132 0.000 1.425 306 H HN 0.783 nan 8.280 nan 0.000 0.471 307 Y N 3.360 123.360 120.300 -0.500 0.000 2.334 307 Y HA 0.060 4.611 4.550 0.001 0.000 0.328 307 Y C 1.504 176.994 175.900 -0.683 0.000 1.130 307 Y CA -0.706 57.116 58.100 -0.463 0.000 1.163 307 Y CB 1.053 39.356 38.460 -0.260 0.000 1.207 307 Y HN 0.662 nan 8.280 nan 0.000 0.471 308 D N 0.863 121.120 120.400 -0.237 0.000 2.317 308 D HA -0.105 4.535 4.640 0.001 0.000 0.211 308 D C 0.202 176.460 176.300 -0.069 0.000 0.966 308 D CA 1.122 55.029 54.000 -0.156 0.000 0.876 308 D CB 0.611 41.388 40.800 -0.038 0.000 0.927 308 D HN 0.565 nan 8.370 nan 0.000 0.519 309 Q N 0.209 119.973 119.800 -0.061 0.000 2.320 309 Q HA 0.339 4.680 4.340 0.001 0.000 0.272 309 Q C -2.134 173.827 176.000 -0.065 0.000 1.023 309 Q CA -0.656 55.119 55.803 -0.046 0.000 0.855 309 Q CB 2.180 30.888 28.738 -0.050 0.000 1.367 309 Q HN -0.092 nan 8.270 nan 0.000 0.406 310 L N 5.082 126.277 121.223 -0.047 0.000 2.365 310 L HA 0.644 4.984 4.340 0.001 0.000 0.273 310 L C -1.255 175.568 176.870 -0.078 0.000 1.000 310 L CA -0.575 54.225 54.840 -0.066 0.000 0.819 310 L CB 1.725 43.790 42.059 0.011 0.000 1.284 310 L HN 0.780 nan 8.230 nan 0.000 0.418 311 I N 2.817 123.313 120.570 -0.124 0.000 2.608 311 I HA 0.371 4.541 4.170 0.001 0.000 0.295 311 I C -0.530 175.518 176.117 -0.115 0.000 1.049 311 I CA -0.615 60.622 61.300 -0.104 0.000 1.063 311 I CB 2.689 40.615 38.000 -0.123 0.000 1.248 311 I HN 0.566 nan 8.210 nan 0.000 0.424 312 E N 6.207 126.362 120.200 -0.075 0.000 2.187 312 E HA 0.628 4.979 4.350 0.001 0.000 0.268 312 E C -1.507 175.063 176.600 -0.050 0.000 0.896 312 E CA -0.502 55.855 56.400 -0.072 0.000 0.766 312 E CB 1.647 31.324 29.700 -0.040 0.000 1.142 312 E HN 0.447 nan 8.360 nan 0.000 0.408 313 I N 3.939 124.479 120.570 -0.049 0.000 2.466 313 I HA 0.244 4.414 4.170 0.001 0.000 0.289 313 I C -0.657 175.457 176.117 -0.006 0.000 1.026 313 I CA -1.080 60.209 61.300 -0.018 0.000 1.078 313 I CB 1.798 39.795 38.000 -0.006 0.000 1.249 313 I HN 0.470 nan 8.210 nan 0.000 0.429 314 N N 6.284 124.988 118.700 0.006 0.000 2.437 314 N HA 0.177 4.918 4.740 0.001 0.000 0.243 314 N C 0.504 176.028 175.510 0.023 0.000 1.041 314 N CA -0.335 52.722 53.050 0.013 0.000 0.940 314 N CB 1.069 39.565 38.487 0.015 0.000 1.133 314 N HN 0.473 nan 8.380 nan 0.000 0.506 315 L N 2.367 123.605 121.223 0.025 0.000 2.127 315 L HA -0.101 4.239 4.340 0.001 0.000 0.211 315 L C 2.017 178.907 176.870 0.033 0.000 1.089 315 L CA 1.435 56.293 54.840 0.031 0.000 0.757 315 L CB -0.808 41.269 42.059 0.030 0.000 0.899 315 L HN 0.544 nan 8.230 nan 0.000 0.434 316 S N -1.173 114.544 115.700 0.029 0.000 2.428 316 S HA -0.131 4.339 4.470 0.001 0.000 0.230 316 S C 1.756 176.375 174.600 0.032 0.000 1.014 316 S CA 0.835 59.052 58.200 0.028 0.000 0.957 316 S CB -0.054 63.160 63.200 0.023 0.000 0.784 316 S HN 0.401 nan 8.310 nan 0.000 0.499 317 E N 0.313 120.533 120.200 0.034 0.000 2.447 317 E HA 0.207 4.558 4.350 0.001 0.000 0.195 317 E C 0.110 176.743 176.600 0.054 0.000 1.028 317 E CA -0.190 56.233 56.400 0.037 0.000 0.876 317 E CB 0.089 29.808 29.700 0.033 0.000 0.885 317 E HN 0.243 nan 8.360 nan 0.000 0.500 318 L N 1.189 122.450 121.223 0.063 0.000 2.410 318 L HA 0.218 4.559 4.340 0.001 0.000 0.273 318 L C -0.443 176.491 176.870 0.107 0.000 1.152 318 L CA 0.326 55.225 54.840 0.098 0.000 0.855 318 L CB 0.469 42.578 42.059 0.082 0.000 1.129 318 L HN -0.277 nan 8.230 nan 0.000 0.463 319 K N 5.164 125.644 120.400 0.132 0.000 2.350 319 K HA 0.635 4.956 4.320 0.001 0.000 0.241 319 K C -2.570 174.082 176.600 0.087 0.000 0.994 319 K CA -2.227 54.104 56.287 0.074 0.000 0.839 319 K CB 1.501 34.003 32.500 0.003 0.000 1.244 319 K HN 0.273 nan 8.250 nan 0.000 0.443 320 P HA -0.033 nan 4.420 nan 0.000 0.264 320 P C -0.824 176.456 177.300 -0.033 0.000 1.183 320 P CA 0.600 63.736 63.100 0.060 0.000 0.763 320 P CB 0.334 32.039 31.700 0.008 0.000 0.807 321 H N 1.525 120.613 119.070 0.030 0.000 2.771 321 H HA 0.653 5.209 4.556 0.001 0.000 0.367 321 H C -0.526 174.835 175.328 0.055 0.000 1.172 321 H CA -0.742 55.331 56.048 0.042 0.000 1.186 321 H CB 2.426 32.210 29.762 0.036 0.000 1.790 321 H HN 0.310 nan 8.280 nan 0.000 0.556 322 I N 1.999 122.693 120.570 0.207 0.000 2.607 322 I HA 0.228 4.399 4.170 0.001 0.000 0.290 322 I C -1.543 174.734 176.117 0.267 0.000 1.129 322 I CA -0.609 60.813 61.300 0.203 0.000 1.042 322 I CB 1.634 39.726 38.000 0.153 0.000 1.242 322 I HN 0.469 nan 8.210 nan 0.000 0.421 323 N N 4.540 123.359 118.700 0.199 0.000 2.319 323 N HA 0.955 5.696 4.740 0.001 0.000 0.305 323 N C -0.337 175.202 175.510 0.048 0.000 1.103 323 N CA 0.084 53.196 53.050 0.102 0.000 0.815 323 N CB 2.130 40.624 38.487 0.012 0.000 1.288 323 N HN 1.044 nan 8.380 nan 0.000 0.493 324 G N 0.582 109.353 108.800 -0.048 0.000 2.353 324 G HA2 -0.049 3.912 3.960 0.001 0.000 0.615 324 G HA3 -0.049 3.912 3.960 0.001 0.000 0.615 324 G C -2.545 172.080 174.900 -0.459 0.000 1.280 324 G CA -0.623 44.276 45.100 -0.335 0.000 1.000 324 G HN 0.413 nan 8.290 nan 0.000 0.516 325 P HA 0.312 nan 4.420 nan 0.000 0.259 325 P C 0.605 177.351 177.300 -0.923 0.000 1.233 325 P CA 0.616 62.924 63.100 -1.321 0.000 0.827 325 P CB 0.258 30.906 31.700 -1.754 0.000 1.154 326 F N 0.270 120.038 119.950 -0.303 0.000 2.729 326 F HA 0.244 4.771 4.527 0.001 0.000 0.315 326 F C 0.547 176.385 175.800 0.063 0.000 1.102 326 F CA 0.179 58.101 58.000 -0.130 0.000 1.204 326 F CB 0.380 39.312 39.000 -0.112 0.000 1.052 326 F HN -0.217 nan 8.300 nan 0.000 0.551 327 T N -2.036 112.601 114.554 0.138 0.000 2.916 327 T HA 0.285 4.635 4.350 0.001 0.000 0.305 327 T C -2.280 172.446 174.700 0.043 0.000 1.119 327 T CA -1.735 60.479 62.100 0.191 0.000 1.008 327 T CB 2.514 71.479 68.868 0.162 0.000 1.129 327 T HN -0.305 nan 8.240 nan 0.000 0.480 328 P HA 0.042 nan 4.420 nan 0.000 0.236 328 P C 0.388 177.688 177.300 0.001 0.000 1.177 328 P CA 0.711 63.799 63.100 -0.020 0.000 0.773 328 P CB 0.096 31.767 31.700 -0.049 0.000 0.878 329 D N -1.039 119.378 120.400 0.028 0.000 2.339 329 D HA -0.020 4.620 4.640 0.001 0.000 0.217 329 D C 0.833 177.128 176.300 -0.008 0.000 1.050 329 D CA -0.206 53.803 54.000 0.014 0.000 0.856 329 D CB -0.905 39.916 40.800 0.035 0.000 0.922 329 D HN 0.180 nan 8.370 nan 0.000 0.518 330 L N 1.453 122.664 121.223 -0.020 0.000 2.462 330 L HA 0.405 4.746 4.340 0.001 0.000 0.283 330 L C -0.256 176.467 176.870 -0.244 0.000 1.166 330 L CA -0.340 54.463 54.840 -0.061 0.000 0.964 330 L CB -0.086 41.984 42.059 0.018 0.000 1.294 330 L HN 0.023 nan 8.230 nan 0.000 0.449 331 A N 5.189 127.872 122.820 -0.228 0.000 2.306 331 A HA 0.646 4.966 4.320 0.001 0.000 0.314 331 A C -0.829 176.561 177.584 -0.323 0.000 1.164 331 A CA -0.395 51.525 52.037 -0.194 0.000 0.822 331 A CB 0.510 19.512 19.000 0.003 0.000 1.130 331 A HN 0.767 nan 8.150 nan 0.000 0.496 332 H N 0.747 119.954 119.070 0.228 0.000 2.894 332 H HA 0.371 4.928 4.556 0.000 0.000 0.367 332 H C -2.901 172.423 175.328 -0.006 0.000 1.144 332 H CA -1.827 54.304 56.048 0.139 0.000 1.180 332 H CB 1.538 31.393 29.762 0.156 0.000 1.758 332 H HN 0.381 nan 8.280 nan 0.000 0.541 333 P HA -0.030 nan 4.420 nan 0.000 0.269 333 P C 1.208 178.440 177.300 -0.113 0.000 1.215 333 P CA -0.184 62.728 63.100 -0.314 0.000 0.780 333 P CB 1.234 32.771 31.700 -0.272 0.000 0.898 334 V N 2.587 122.413 119.914 -0.147 0.000 2.295 334 V HA -0.296 3.824 4.120 0.001 0.000 0.246 334 V C 2.412 178.415 176.094 -0.152 0.000 1.049 334 V CA 2.671 64.895 62.300 -0.125 0.000 1.024 334 V CB -1.715 30.009 31.823 -0.164 0.000 0.648 334 V HN 0.691 nan 8.190 nan 0.000 0.447 335 A N -0.377 122.336 122.820 -0.177 0.000 2.054 335 A HA -0.312 4.008 4.320 0.001 0.000 0.223 335 A C 2.019 179.533 177.584 -0.117 0.000 1.169 335 A CA 2.476 54.414 52.037 -0.165 0.000 0.655 335 A CB -0.389 18.521 19.000 -0.149 0.000 0.812 335 A HN 0.731 nan 8.150 nan 0.000 0.462 336 E N -1.852 118.300 120.200 -0.080 0.000 2.539 336 E HA 0.157 4.507 4.350 0.001 0.000 0.215 336 E C 1.382 177.951 176.600 -0.052 0.000 0.965 336 E CA 0.275 56.644 56.400 -0.052 0.000 1.019 336 E CB 0.374 30.066 29.700 -0.014 0.000 1.059 336 E HN 0.276 nan 8.360 nan 0.000 0.496 337 V N 1.006 120.887 119.914 -0.056 0.000 2.490 337 V HA -0.150 3.970 4.120 0.001 0.000 0.250 337 V C 1.959 177.994 176.094 -0.100 0.000 1.061 337 V CA 2.377 64.621 62.300 -0.094 0.000 1.064 337 V CB -0.416 31.354 31.823 -0.088 0.000 0.670 337 V HN 0.409 nan 8.190 nan 0.000 0.461 338 G N -0.869 107.871 108.800 -0.100 0.000 2.422 338 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 338 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 338 G C 1.744 176.593 174.900 -0.084 0.000 1.146 338 G CA 1.143 46.190 45.100 -0.089 0.000 0.769 338 G HN 0.577 nan 8.290 nan 0.000 0.547 339 S N -0.040 115.607 115.700 -0.087 0.000 2.414 339 S HA -0.027 4.444 4.470 0.001 0.000 0.227 339 S C 2.422 176.945 174.600 -0.129 0.000 1.022 339 S CA 0.899 59.044 58.200 -0.091 0.000 0.958 339 S CB 0.044 63.200 63.200 -0.073 0.000 0.797 339 S HN 0.194 nan 8.310 nan 0.000 0.493 340 V N 2.088 121.911 119.914 -0.151 0.000 2.548 340 V HA -0.066 4.054 4.120 0.001 0.000 0.249 340 V C 2.644 178.436 176.094 -0.503 0.000 1.055 340 V CA 1.392 63.539 62.300 -0.256 0.000 1.065 340 V CB -1.254 30.448 31.823 -0.201 0.000 0.681 340 V HN 0.507 nan 8.190 nan 0.000 0.462 341 A N 0.181 122.826 122.820 -0.291 0.000 1.858 341 A HA -0.280 4.040 4.320 0.001 0.000 0.216 341 A C 2.254 179.675 177.584 -0.271 0.000 1.190 341 A CA 2.085 54.003 52.037 -0.199 0.000 0.617 341 A CB -0.559 18.527 19.000 0.144 0.000 0.827 341 A HN 0.585 nan 8.150 nan 0.000 0.443 342 E N -0.147 119.953 120.200 -0.168 0.000 2.049 342 E HA -0.280 4.071 4.350 0.001 0.000 0.198 342 E C 2.112 178.609 176.600 -0.172 0.000 1.007 342 E CA 1.885 58.208 56.400 -0.129 0.000 0.809 342 E CB -0.155 29.488 29.700 -0.096 0.000 0.749 342 E HN 0.615 nan 8.360 nan 0.000 0.450 343 K N 0.213 120.483 120.400 -0.216 0.000 2.026 343 K HA -0.223 4.097 4.320 0.001 0.000 0.208 343 K C 1.807 178.239 176.600 -0.280 0.000 1.048 343 K CA 1.814 57.975 56.287 -0.211 0.000 0.929 343 K CB -0.017 32.367 32.500 -0.194 0.000 0.713 343 K HN -0.019 nan 8.250 nan 0.000 0.439 344 E N -0.879 119.010 120.200 -0.518 0.000 2.478 344 E HA 0.087 4.438 4.350 0.001 0.000 0.194 344 E C 0.202 176.574 176.600 -0.380 0.000 1.045 344 E CA 0.690 56.746 56.400 -0.573 0.000 0.868 344 E CB 0.595 29.589 29.700 -1.176 0.000 0.885 344 E HN 0.578 nan 8.360 nan 0.000 0.505 345 G N 0.706 109.343 108.800 -0.273 0.000 2.248 345 G HA2 -0.194 3.766 3.960 0.001 0.000 0.263 345 G HA3 -0.194 3.766 3.960 0.001 0.000 0.263 345 G C -0.671 174.330 174.900 0.168 0.000 1.082 345 G CA -0.047 45.031 45.100 -0.036 0.000 0.863 345 G HN 0.025 nan 8.290 nan 0.000 0.495 346 W N -0.602 120.788 121.300 0.150 0.000 2.433 346 W HA 0.530 5.191 4.660 0.000 0.000 0.315 346 W C -2.122 174.417 176.519 0.034 0.000 1.087 346 W CA -3.484 53.982 57.345 0.202 0.000 1.205 346 W CB 0.487 30.191 29.460 0.405 0.000 1.288 346 W HN 0.026 nan 8.180 nan 0.000 0.504 347 P HA -0.062 nan 4.420 nan 0.000 0.263 347 P C 1.019 178.357 177.300 0.062 0.000 1.195 347 P CA 0.191 63.314 63.100 0.038 0.000 0.762 347 P CB 0.679 32.349 31.700 -0.049 0.000 0.799 348 L N 2.218 123.457 121.223 0.027 0.000 2.313 348 L HA 0.009 4.350 4.340 0.001 0.000 0.214 348 L C 0.990 177.846 176.870 -0.023 0.000 1.119 348 L CA 1.515 56.352 54.840 -0.006 0.000 0.809 348 L CB -1.049 41.001 42.059 -0.014 0.000 0.933 348 L HN 0.440 nan 8.230 nan 0.000 0.449 349 D N 0.345 120.738 120.400 -0.011 0.000 2.225 349 D HA 0.217 4.857 4.640 0.001 0.000 0.248 349 D C 0.005 176.305 176.300 -0.001 0.000 1.096 349 D CA -0.382 53.610 54.000 -0.014 0.000 0.863 349 D CB 2.045 42.839 40.800 -0.010 0.000 1.156 349 D HN 0.003 nan 8.370 nan 0.000 0.450 350 I N 2.553 123.118 120.570 -0.007 0.000 2.304 350 I HA 0.129 4.299 4.170 0.001 0.000 0.291 350 I C 1.599 177.734 176.117 0.030 0.000 1.018 350 I CA -0.868 60.441 61.300 0.014 0.000 1.260 350 I CB 1.281 39.277 38.000 -0.007 0.000 1.390 350 I HN 0.113 nan 8.210 nan 0.000 0.475 351 R N 4.406 124.940 120.500 0.057 0.000 2.055 351 R HA 0.150 4.490 4.340 0.001 0.000 0.226 351 R C 0.152 176.514 176.300 0.104 0.000 1.135 351 R CA 0.992 57.133 56.100 0.069 0.000 0.959 351 R CB -0.175 30.168 30.300 0.071 0.000 0.854 351 R HN 0.412 nan 8.270 nan 0.000 0.431 352 V N -0.228 119.769 119.914 0.140 0.000 2.709 352 V HA 0.596 4.716 4.120 0.001 0.000 0.308 352 V C -0.036 176.132 176.094 0.125 0.000 1.062 352 V CA -1.122 61.282 62.300 0.175 0.000 0.901 352 V CB 1.937 33.944 31.823 0.306 0.000 1.003 352 V HN 0.316 nan 8.190 nan 0.000 0.425 353 G N 3.715 112.598 108.800 0.139 0.000 2.368 353 G HA2 0.694 4.654 3.960 0.001 0.000 0.320 353 G HA3 0.694 4.654 3.960 0.001 0.000 0.320 353 G C -1.312 173.648 174.900 0.100 0.000 1.158 353 G CA -0.424 44.756 45.100 0.134 0.000 0.912 353 G HN 0.501 nan 8.290 nan 0.000 0.456 354 L N 3.615 124.774 121.223 -0.106 0.000 2.343 354 L HA 0.530 4.870 4.340 0.001 0.000 0.278 354 L C 0.348 177.058 176.870 -0.267 0.000 0.996 354 L CA -0.673 54.006 54.840 -0.269 0.000 0.831 354 L CB 1.604 43.370 42.059 -0.489 0.000 1.232 354 L HN 0.635 nan 8.230 nan 0.000 0.413 355 I N -0.427 120.043 120.570 -0.167 0.000 2.863 355 I HA 1.063 5.234 4.170 0.001 0.000 0.311 355 I C 0.725 176.843 176.117 0.001 0.000 1.026 355 I CA -0.401 60.859 61.300 -0.066 0.000 1.077 355 I CB 1.854 39.841 38.000 -0.022 0.000 1.262 355 I HN 0.688 nan 8.210 nan 0.000 0.461 356 G N 2.724 111.556 108.800 0.053 0.000 2.464 356 G HA2 0.219 4.179 3.960 0.001 0.000 0.216 356 G HA3 0.219 4.179 3.960 0.001 0.000 0.216 356 G C -0.097 174.860 174.900 0.095 0.000 1.186 356 G CA 0.430 45.562 45.100 0.053 0.000 1.010 356 G HN 2.755 nan 8.290 nan 0.000 0.585 357 S N -3.230 112.446 115.700 -0.039 0.000 3.914 357 S HA -0.039 4.431 4.470 0.001 0.000 0.674 357 S C 1.989 176.519 174.600 -0.118 0.000 1.528 357 S CA 1.447 59.529 58.200 -0.196 0.000 1.636 357 S CB -1.762 61.190 63.200 -0.414 0.000 0.356 357 S HN 2.828 nan 8.310 nan 0.000 1.280 358 C N -0.459 118.766 119.300 -0.126 0.000 2.432 358 C HA 0.133 4.594 4.460 0.001 0.000 0.280 358 C C 2.757 177.711 174.990 -0.059 0.000 1.353 358 C CA 1.345 60.325 59.018 -0.064 0.000 1.766 358 C CB -2.423 25.318 27.740 0.003 0.000 1.924 358 C HN 0.986 nan 8.230 nan 0.000 0.509 359 T N 0.758 115.257 114.554 -0.091 0.000 2.833 359 T HA -0.108 4.243 4.350 0.001 0.000 0.269 359 T C 0.771 175.444 174.700 -0.045 0.000 1.054 359 T CA 1.834 63.884 62.100 -0.084 0.000 1.135 359 T CB -0.503 68.305 68.868 -0.100 0.000 0.869 359 T HN 0.782 nan 8.240 nan 0.000 0.466 360 N N 0.234 118.921 118.700 -0.021 0.000 2.639 360 N HA 0.153 4.893 4.740 0.001 0.000 0.265 360 N C -0.393 175.119 175.510 0.003 0.000 1.689 360 N CA -0.147 52.900 53.050 -0.005 0.000 0.813 360 N CB 1.056 39.551 38.487 0.014 0.000 1.353 360 N HN 0.137 nan 8.380 nan 0.000 0.510 361 S N -1.573 114.125 115.700 -0.003 0.000 2.809 361 S HA 0.170 4.640 4.470 0.001 0.000 0.248 361 S C 0.494 175.119 174.600 0.042 0.000 1.071 361 S CA -0.657 57.548 58.200 0.009 0.000 1.059 361 S CB -0.008 63.186 63.200 -0.010 0.000 0.923 361 S HN 0.246 nan 8.310 nan 0.000 0.516 362 S N 0.690 116.423 115.700 0.054 0.000 2.634 362 S HA 0.350 4.821 4.470 0.001 0.000 0.261 362 S C 0.875 175.591 174.600 0.193 0.000 1.271 362 S CA -0.482 57.793 58.200 0.126 0.000 0.985 362 S CB 0.139 63.398 63.200 0.099 0.000 0.968 362 S HN 0.351 nan 8.310 nan 0.000 0.568 363 Y N 0.539 120.951 120.300 0.187 0.000 2.181 363 Y HA -0.082 4.468 4.550 0.000 0.000 0.288 363 Y C 2.594 178.585 175.900 0.151 0.000 1.146 363 Y CA 2.273 60.514 58.100 0.235 0.000 1.164 363 Y CB -0.354 38.295 38.460 0.315 0.000 0.982 363 Y HN 0.957 nan 8.280 nan 0.000 0.515 364 E N -0.324 119.998 120.200 0.203 0.000 2.106 364 E HA -0.217 4.134 4.350 0.001 0.000 0.192 364 E C 1.518 178.068 176.600 -0.084 0.000 0.984 364 E CA 1.461 57.883 56.400 0.037 0.000 0.806 364 E CB -0.115 29.633 29.700 0.081 0.000 0.750 364 E HN 0.535 nan 8.360 nan 0.000 0.458 365 D N 0.140 120.514 120.400 -0.043 0.000 2.117 365 D HA -0.142 4.498 4.640 0.001 0.000 0.198 365 D C 1.963 178.192 176.300 -0.118 0.000 0.982 365 D CA 0.926 54.890 54.000 -0.061 0.000 0.828 365 D CB -0.044 40.745 40.800 -0.019 0.000 0.967 365 D HN 0.287 nan 8.370 nan 0.000 0.464 366 M N 0.354 119.870 119.600 -0.140 0.000 2.175 366 M HA -0.006 4.475 4.480 0.001 0.000 0.264 366 M C 2.373 178.356 176.300 -0.530 0.000 1.063 366 M CA 0.899 56.084 55.300 -0.192 0.000 1.119 366 M CB -1.324 31.246 32.600 -0.051 0.000 1.377 366 M HN -0.025 nan 8.290 nan 0.000 0.415 367 G N 0.059 108.358 108.800 -0.835 0.000 2.402 367 G HA2 -0.196 3.764 3.960 0.001 0.000 0.216 367 G HA3 -0.196 3.764 3.960 0.001 0.000 0.216 367 G C 1.902 176.426 174.900 -0.627 0.000 1.162 367 G CA 0.409 44.727 45.100 -1.304 0.000 0.777 367 G HN 0.383 nan 8.290 nan 0.000 0.539 368 R N 0.322 120.604 120.500 -0.364 0.000 2.073 368 R HA 0.006 4.347 4.340 0.001 0.000 0.229 368 R C 3.031 179.223 176.300 -0.179 0.000 1.120 368 R CA 1.336 57.293 56.100 -0.238 0.000 0.967 368 R CB -0.251 29.948 30.300 -0.169 0.000 0.862 368 R HN 0.317 nan 8.270 nan 0.000 0.436 369 S N 0.881 116.503 115.700 -0.131 0.000 2.368 369 S HA -0.145 4.325 4.470 0.001 0.000 0.225 369 S C 2.074 176.653 174.600 -0.035 0.000 1.030 369 S CA 1.258 59.445 58.200 -0.022 0.000 0.999 369 S CB -0.181 63.046 63.200 0.045 0.000 0.844 369 S HN 0.462 nan 8.310 nan 0.000 0.459 370 A N 1.421 124.158 122.820 -0.138 0.000 1.972 370 A HA 0.165 4.485 4.320 0.001 0.000 0.219 370 A C 2.295 179.830 177.584 -0.081 0.000 1.169 370 A CA 1.545 53.523 52.037 -0.097 0.000 0.635 370 A CB -0.865 18.025 19.000 -0.184 0.000 0.810 370 A HN 0.515 nan 8.150 nan 0.000 0.446 371 A N -0.677 122.059 122.820 -0.140 0.000 1.968 371 A HA 0.102 4.422 4.320 0.001 0.000 0.217 371 A C 2.159 179.713 177.584 -0.049 0.000 1.169 371 A CA 1.568 53.544 52.037 -0.101 0.000 0.638 371 A CB -0.598 18.309 19.000 -0.155 0.000 0.812 371 A HN 0.338 nan 8.150 nan 0.000 0.446 372 V N -0.277 119.618 119.914 -0.032 0.000 2.323 372 V HA -0.154 3.966 4.120 0.001 0.000 0.244 372 V C 3.030 179.166 176.094 0.070 0.000 1.041 372 V CA 1.682 64.013 62.300 0.051 0.000 1.025 372 V CB -1.157 30.732 31.823 0.111 0.000 0.656 372 V HN 0.568 nan 8.190 nan 0.000 0.451 373 A N 1.550 124.394 122.820 0.041 0.000 1.933 373 A HA -0.251 4.069 4.320 0.001 0.000 0.218 373 A C 2.141 179.756 177.584 0.052 0.000 1.175 373 A CA 2.271 54.331 52.037 0.039 0.000 0.628 373 A CB -0.445 18.592 19.000 0.061 0.000 0.814 373 A HN 0.682 nan 8.150 nan 0.000 0.444 374 K N 0.461 120.887 120.400 0.044 0.000 2.211 374 K HA -0.105 4.215 4.320 0.001 0.000 0.203 374 K C 1.679 178.310 176.600 0.052 0.000 1.050 374 K CA 1.704 58.015 56.287 0.041 0.000 0.945 374 K CB -0.569 31.948 32.500 0.030 0.000 0.732 374 K HN 0.635 nan 8.250 nan 0.000 0.451 375 Q N 0.405 120.258 119.800 0.089 0.000 2.083 375 Q HA 0.063 4.403 4.340 0.001 0.000 0.198 375 Q C 2.305 178.420 176.000 0.191 0.000 0.969 375 Q CA 1.373 57.266 55.803 0.149 0.000 0.838 375 Q CB -0.298 28.567 28.738 0.211 0.000 0.900 375 Q HN 0.492 nan 8.270 nan 0.000 0.436 376 A N 1.057 123.998 122.820 0.201 0.000 1.902 376 A HA -0.146 4.174 4.320 0.001 0.000 0.217 376 A C 2.083 179.725 177.584 0.096 0.000 1.181 376 A CA 1.021 53.190 52.037 0.219 0.000 0.623 376 A CB -0.669 18.425 19.000 0.156 0.000 0.818 376 A HN 0.275 nan 8.150 nan 0.000 0.443 377 L N -0.812 120.443 121.223 0.053 0.000 2.046 377 L HA -0.201 4.139 4.340 0.001 0.000 0.208 377 L C 2.990 179.835 176.870 -0.042 0.000 1.077 377 L CA 1.057 55.904 54.840 0.012 0.000 0.747 377 L CB -0.491 41.577 42.059 0.016 0.000 0.896 377 L HN 0.449 nan 8.230 nan 0.000 0.432 378 A N -1.132 121.646 122.820 -0.070 0.000 2.125 378 A HA -0.193 4.127 4.320 0.001 0.000 0.219 378 A C 1.355 178.668 177.584 -0.452 0.000 1.156 378 A CA 1.242 53.156 52.037 -0.204 0.000 0.671 378 A CB -0.713 18.174 19.000 -0.188 0.000 0.794 378 A HN 0.514 nan 8.150 nan 0.000 0.459 379 H N -1.729 117.157 119.070 -0.308 0.000 2.505 379 H HA 0.396 4.952 4.556 0.000 0.000 0.286 379 H C 1.330 176.553 175.328 -0.175 0.000 1.072 379 H CA 0.267 56.089 56.048 -0.377 0.000 1.141 379 H CB 0.272 29.485 29.762 -0.915 0.000 1.550 379 H HN 0.492 nan 8.280 nan 0.000 0.547 380 G N 0.878 109.650 108.800 -0.047 0.000 2.176 380 G HA2 -0.269 3.691 3.960 0.001 0.000 0.252 380 G HA3 -0.269 3.691 3.960 0.001 0.000 0.252 380 G C -0.102 174.816 174.900 0.029 0.000 1.024 380 G CA 0.179 45.273 45.100 -0.009 0.000 0.755 380 G HN 0.303 nan 8.290 nan 0.000 0.507 381 L N -0.980 120.275 121.223 0.054 0.000 2.334 381 L HA 0.763 5.103 4.340 0.001 0.000 0.270 381 L C 0.638 177.529 176.870 0.034 0.000 1.018 381 L CA -0.989 53.889 54.840 0.063 0.000 0.811 381 L CB 1.612 43.745 42.059 0.123 0.000 1.271 381 L HN 0.165 nan 8.230 nan 0.000 0.443 382 K N -0.243 120.164 120.400 0.012 0.000 2.439 382 K HA 0.486 4.806 4.320 0.001 0.000 0.260 382 K C -1.345 175.229 176.600 -0.044 0.000 1.032 382 K CA -0.879 55.405 56.287 -0.005 0.000 0.882 382 K CB 1.496 34.002 32.500 0.011 0.000 1.420 382 K HN 0.397 nan 8.250 nan 0.000 0.455 383 C N 2.422 121.679 119.300 -0.071 0.000 2.642 383 C HA 0.041 4.502 4.460 0.001 0.000 0.420 383 C C 1.991 176.943 174.990 -0.063 0.000 1.349 383 C CA 0.005 58.952 59.018 -0.118 0.000 1.821 383 C CB -0.202 27.451 27.740 -0.144 0.000 2.637 383 C HN 0.813 nan 8.230 nan 0.000 0.605 384 K N 1.480 121.829 120.400 -0.085 0.000 2.098 384 K HA -0.000 4.320 4.320 0.001 0.000 0.203 384 K C 0.918 177.501 176.600 -0.030 0.000 1.051 384 K CA 0.793 57.046 56.287 -0.056 0.000 0.957 384 K CB 0.054 32.505 32.500 -0.082 0.000 0.738 384 K HN 0.708 nan 8.250 nan 0.000 0.447 385 S N 1.413 117.093 115.700 -0.034 0.000 2.614 385 S HA 0.063 4.533 4.470 0.001 0.000 0.265 385 S C 0.059 174.700 174.600 0.069 0.000 1.303 385 S CA -0.466 57.744 58.200 0.018 0.000 1.000 385 S CB 1.361 64.573 63.200 0.020 0.000 0.935 385 S HN 0.270 nan 8.310 nan 0.000 0.551 386 Q N 0.194 120.059 119.800 0.108 0.000 2.474 386 Q HA 0.240 4.581 4.340 0.001 0.000 0.256 386 Q C -1.501 174.644 176.000 0.241 0.000 1.048 386 Q CA 0.241 56.138 55.803 0.156 0.000 0.922 386 Q CB 0.320 29.152 28.738 0.157 0.000 1.288 386 Q HN 0.544 nan 8.270 nan 0.000 0.484 387 F N 2.436 122.400 119.950 0.024 0.000 2.653 387 F HA 0.346 4.874 4.527 0.001 0.000 0.327 387 F C -1.109 174.684 175.800 -0.012 0.000 1.195 387 F CA -0.401 57.597 58.000 -0.002 0.000 0.993 387 F CB 1.529 40.529 39.000 -0.001 0.000 1.259 387 F HN 0.572 nan 8.300 nan 0.000 0.478 388 T N 3.479 117.836 114.554 -0.329 0.000 2.932 388 T HA 0.873 5.223 4.350 0.001 0.000 0.289 388 T C -0.870 173.530 174.700 -0.501 0.000 1.039 388 T CA -0.709 61.174 62.100 -0.362 0.000 1.024 388 T CB 2.115 70.835 68.868 -0.246 0.000 1.090 388 T HN 0.426 nan 8.240 nan 0.000 0.496 389 I N 1.418 121.771 120.570 -0.363 0.000 2.500 389 I HA 0.336 4.506 4.170 0.001 0.000 0.286 389 I C -0.312 175.707 176.117 -0.162 0.000 1.063 389 I CA -0.514 60.609 61.300 -0.296 0.000 1.062 389 I CB 2.539 40.357 38.000 -0.302 0.000 1.223 389 I HN 0.717 nan 8.210 nan 0.000 0.435 390 T N 7.166 121.654 114.554 -0.110 0.000 2.801 390 T HA 0.373 4.724 4.350 0.001 0.000 0.306 390 T C -2.533 172.132 174.700 -0.057 0.000 1.020 390 T CA -1.407 60.643 62.100 -0.083 0.000 0.948 390 T CB 0.698 69.514 68.868 -0.088 0.000 0.962 390 T HN 0.164 nan 8.240 nan 0.000 0.465 391 P HA 0.162 nan 4.420 nan 0.000 0.268 391 P C 1.117 178.400 177.300 -0.029 0.000 1.204 391 P CA -0.093 63.000 63.100 -0.012 0.000 0.768 391 P CB 0.550 32.255 31.700 0.008 0.000 0.842 392 G N 1.560 110.348 108.800 -0.022 0.000 2.484 392 G HA2 0.054 4.014 3.960 0.001 0.000 0.218 392 G HA3 0.054 4.014 3.960 0.001 0.000 0.218 392 G C 0.226 175.090 174.900 -0.060 0.000 1.130 392 G CA 0.592 45.662 45.100 -0.050 0.000 0.784 392 G HN 0.680 nan 8.290 nan 0.000 0.543 393 S N -1.865 113.814 115.700 -0.035 0.000 2.643 393 S HA 0.425 4.895 4.470 0.001 0.000 0.270 393 S C 0.324 174.924 174.600 -0.001 0.000 1.166 393 S CA -0.097 58.078 58.200 -0.042 0.000 0.815 393 S CB 1.759 64.911 63.200 -0.081 0.000 1.139 393 S HN -0.073 nan 8.310 nan 0.000 0.472 394 E N 0.785 120.996 120.200 0.019 0.000 2.107 394 E HA -0.120 4.231 4.350 0.001 0.000 0.191 394 E C 1.971 178.603 176.600 0.054 0.000 0.982 394 E CA 2.023 58.451 56.400 0.046 0.000 0.809 394 E CB -0.347 29.397 29.700 0.073 0.000 0.756 394 E HN 0.695 nan 8.360 nan 0.000 0.459 395 Q N -0.112 119.710 119.800 0.037 0.000 2.084 395 Q HA -0.150 4.190 4.340 0.001 0.000 0.202 395 Q C 2.190 178.247 176.000 0.095 0.000 0.978 395 Q CA 1.897 57.723 55.803 0.039 0.000 0.844 395 Q CB -0.211 28.489 28.738 -0.062 0.000 0.898 395 Q HN 0.424 nan 8.270 nan 0.000 0.426 396 I N 0.216 120.836 120.570 0.082 0.000 2.252 396 I HA -0.263 3.907 4.170 0.001 0.000 0.245 396 I C 2.801 179.014 176.117 0.161 0.000 1.102 396 I CA 1.039 62.450 61.300 0.184 0.000 1.385 396 I CB -0.299 37.790 38.000 0.147 0.000 1.064 396 I HN 0.240 nan 8.210 nan 0.000 0.414 397 R N 1.080 121.637 120.500 0.095 0.000 2.080 397 R HA -0.226 4.114 4.340 0.001 0.000 0.236 397 R C 2.341 178.691 176.300 0.083 0.000 1.137 397 R CA 1.917 58.062 56.100 0.076 0.000 0.943 397 R CB -0.357 29.971 30.300 0.046 0.000 0.846 397 R HN 0.369 nan 8.270 nan 0.000 0.431 398 A N -0.130 122.740 122.820 0.083 0.000 1.902 398 A HA -0.139 4.182 4.320 0.001 0.000 0.217 398 A C 2.177 179.815 177.584 0.090 0.000 1.181 398 A CA 2.097 54.179 52.037 0.076 0.000 0.623 398 A CB -0.762 18.283 19.000 0.074 0.000 0.818 398 A HN 0.493 nan 8.150 nan 0.000 0.443 399 T N 0.688 115.330 114.554 0.146 0.000 2.812 399 T HA -0.060 4.290 4.350 0.001 0.000 0.264 399 T C 1.821 176.609 174.700 0.147 0.000 1.042 399 T CA 1.430 63.628 62.100 0.165 0.000 1.140 399 T CB -0.514 68.525 68.868 0.286 0.000 0.870 399 T HN 0.711 nan 8.240 nan 0.000 0.445 400 I N -0.046 120.624 120.570 0.166 0.000 2.676 400 I HA 0.100 4.270 4.170 0.001 0.000 0.259 400 I C 2.331 178.441 176.117 -0.012 0.000 1.194 400 I CA 1.265 62.600 61.300 0.058 0.000 1.473 400 I CB -0.295 37.817 38.000 0.187 0.000 1.096 400 I HN 0.020 nan 8.210 nan 0.000 0.443 401 E N 1.958 122.175 120.200 0.027 0.000 2.046 401 E HA -0.194 4.156 4.350 0.001 0.000 0.190 401 E C 2.416 179.005 176.600 -0.017 0.000 0.982 401 E CA 1.164 57.572 56.400 0.013 0.000 0.800 401 E CB -0.275 29.442 29.700 0.028 0.000 0.756 401 E HN 0.340 nan 8.360 nan 0.000 0.449 402 R N 0.472 120.963 120.500 -0.015 0.000 2.081 402 R HA -0.124 4.217 4.340 0.001 0.000 0.235 402 R C 0.434 176.689 176.300 -0.076 0.000 1.131 402 R CA 1.754 57.836 56.100 -0.030 0.000 0.960 402 R CB -0.291 30.002 30.300 -0.012 0.000 0.856 402 R HN 0.151 nan 8.270 nan 0.000 0.436 403 D N -1.076 119.236 120.400 -0.147 0.000 2.319 403 D HA 0.135 4.776 4.640 0.001 0.000 0.230 403 D C 0.851 176.958 176.300 -0.323 0.000 1.094 403 D CA 0.852 54.700 54.000 -0.253 0.000 0.856 403 D CB 0.453 41.042 40.800 -0.352 0.000 0.915 403 D HN 0.542 nan 8.370 nan 0.000 0.517 404 G N 0.419 109.107 108.800 -0.187 0.000 2.159 404 G HA2 -0.377 3.583 3.960 0.001 0.000 0.256 404 G HA3 -0.377 3.583 3.960 0.001 0.000 0.256 404 G C 0.785 175.698 174.900 0.021 0.000 0.977 404 G CA 0.197 45.253 45.100 -0.073 0.000 0.652 404 G HN 0.291 nan 8.290 nan 0.000 0.531 405 Y N 0.044 120.336 120.300 -0.013 0.000 2.337 405 Y HA 0.375 4.925 4.550 0.000 0.000 0.293 405 Y C 2.985 178.882 175.900 -0.006 0.000 1.123 405 Y CA 0.968 59.051 58.100 -0.030 0.000 1.201 405 Y CB -1.008 37.402 38.460 -0.083 0.000 1.011 405 Y HN 0.399 nan 8.280 nan 0.000 0.545 406 A N -0.206 122.698 122.820 0.140 0.000 1.930 406 A HA -0.225 4.095 4.320 0.001 0.000 0.217 406 A C 2.170 179.797 177.584 0.072 0.000 1.175 406 A CA 1.748 53.837 52.037 0.087 0.000 0.627 406 A CB -0.584 18.449 19.000 0.056 0.000 0.815 406 A HN 0.336 nan 8.150 nan 0.000 0.443 407 Q N -0.044 119.795 119.800 0.064 0.000 2.124 407 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 407 Q C 1.929 177.971 176.000 0.070 0.000 0.977 407 Q CA 1.942 57.779 55.803 0.056 0.000 0.850 407 Q CB -0.654 28.109 28.738 0.041 0.000 0.901 407 Q HN 0.366 nan 8.270 nan 0.000 0.429 408 V N 0.236 120.203 119.914 0.089 0.000 2.295 408 V HA -0.261 3.859 4.120 0.001 0.000 0.246 408 V C 2.248 178.409 176.094 0.112 0.000 1.049 408 V CA 1.739 64.094 62.300 0.092 0.000 1.024 408 V CB -0.566 31.317 31.823 0.101 0.000 0.648 408 V HN 0.347 nan 8.190 nan 0.000 0.447 409 L N -0.790 120.512 121.223 0.131 0.000 2.093 409 L HA -0.149 4.191 4.340 0.001 0.000 0.208 409 L C 2.742 179.712 176.870 0.167 0.000 1.085 409 L CA 1.526 56.479 54.840 0.188 0.000 0.755 409 L CB -0.579 41.557 42.059 0.128 0.000 0.904 409 L HN 0.210 nan 8.230 nan 0.000 0.435 410 R N -0.021 120.538 120.500 0.099 0.000 2.073 410 R HA -0.151 4.189 4.340 0.001 0.000 0.234 410 R C 1.938 178.292 176.300 0.090 0.000 1.134 410 R CA 1.551 57.700 56.100 0.082 0.000 0.952 410 R CB -0.330 30.002 30.300 0.054 0.000 0.850 410 R HN 0.320 nan 8.270 nan 0.000 0.433 411 D N 0.086 120.534 120.400 0.079 0.000 2.178 411 D HA -0.121 4.519 4.640 0.001 0.000 0.201 411 D C 1.738 178.081 176.300 0.072 0.000 0.980 411 D CA 1.303 55.342 54.000 0.065 0.000 0.842 411 D CB -0.038 40.793 40.800 0.051 0.000 0.948 411 D HN 0.187 nan 8.370 nan 0.000 0.472 412 V N -2.848 117.124 119.914 0.097 0.000 3.510 412 V HA 0.344 4.465 4.120 0.001 0.000 0.270 412 V C 1.490 177.641 176.094 0.095 0.000 1.201 412 V CA 0.711 63.055 62.300 0.073 0.000 1.166 412 V CB -0.424 31.416 31.823 0.029 0.000 0.825 412 V HN 0.237 nan 8.190 nan 0.000 0.484 413 G N -0.955 107.929 108.800 0.140 0.000 2.143 413 G HA2 -0.034 3.926 3.960 0.001 0.000 0.175 413 G HA3 -0.034 3.926 3.960 0.001 0.000 0.175 413 G C 0.356 175.394 174.900 0.230 0.000 1.004 413 G CA -0.339 44.848 45.100 0.146 0.000 0.671 413 G HN 1.226 nan 8.290 nan 0.000 0.512 414 G N -0.471 108.504 108.800 0.292 0.000 2.448 414 G HA2 0.657 4.617 3.960 0.001 0.000 0.285 414 G HA3 0.657 4.617 3.960 0.001 0.000 0.285 414 G C -0.443 174.466 174.900 0.016 0.000 1.176 414 G CA -0.394 44.808 45.100 0.169 0.000 0.852 414 G HN 0.928 nan 8.290 nan 0.000 0.530 415 I N 1.615 122.149 120.570 -0.060 0.000 2.378 415 I HA 0.424 4.595 4.170 0.001 0.000 0.291 415 I C -0.262 175.795 176.117 -0.099 0.000 0.992 415 I CA -0.864 60.410 61.300 -0.044 0.000 1.154 415 I CB 1.939 39.936 38.000 -0.005 0.000 1.315 415 I HN 0.208 nan 8.210 nan 0.000 0.448 416 V N 8.375 128.249 119.914 -0.067 0.000 2.408 416 V HA 0.302 4.422 4.120 0.001 0.000 0.267 416 V C 0.462 176.523 176.094 -0.055 0.000 1.047 416 V CA -0.467 61.789 62.300 -0.073 0.000 0.937 416 V CB 0.545 32.344 31.823 -0.040 0.000 0.999 416 V HN 0.573 nan 8.190 nan 0.000 0.472 417 L N 3.733 124.912 121.223 -0.074 0.000 2.416 417 L HA 0.673 5.014 4.340 0.001 0.000 0.262 417 L C 1.024 177.866 176.870 -0.047 0.000 1.093 417 L CA -0.534 54.269 54.840 -0.062 0.000 0.801 417 L CB 0.788 42.790 42.059 -0.095 0.000 1.191 417 L HN 0.710 nan 8.230 nan 0.000 0.459 418 A N 0.937 123.737 122.820 -0.034 0.000 2.475 418 A HA 0.046 4.367 4.320 0.001 0.000 0.239 418 A C 0.055 177.614 177.584 -0.042 0.000 1.087 418 A CA -0.289 51.733 52.037 -0.026 0.000 0.779 418 A CB -0.153 18.839 19.000 -0.013 0.000 1.036 418 A HN 0.782 nan 8.150 nan 0.000 0.506 419 N N 0.962 119.641 118.700 -0.034 0.000 2.895 419 N HA 0.452 5.192 4.740 0.001 0.000 0.277 419 N C -0.300 175.172 175.510 -0.063 0.000 1.185 419 N CA 0.881 53.904 53.050 -0.045 0.000 1.106 419 N CB 0.172 38.643 38.487 -0.026 0.000 1.422 419 N HN 0.822 nan 8.380 nan 0.000 0.521 420 A N -0.415 122.351 122.820 -0.090 0.000 2.599 420 A HA 0.355 4.675 4.320 0.001 0.000 0.290 420 A C 0.811 178.287 177.584 -0.180 0.000 1.101 420 A CA -0.703 51.266 52.037 -0.113 0.000 0.674 420 A CB 0.225 19.182 19.000 -0.073 0.000 1.277 420 A HN 0.430 nan 8.150 nan 0.000 0.419 421 C N 0.070 119.215 119.300 -0.258 0.000 2.413 421 C HA 0.289 4.750 4.460 0.001 0.000 0.277 421 C C 2.477 177.291 174.990 -0.293 0.000 1.228 421 C CA 1.604 60.411 59.018 -0.352 0.000 1.731 421 C CB -1.681 25.730 27.740 -0.549 0.000 2.042 421 C HN 2.203 nan 8.230 nan 0.000 0.468 422 G N 1.080 109.759 108.800 -0.201 0.000 2.660 422 G HA2 -0.320 3.640 3.960 0.001 0.000 0.321 422 G HA3 -0.320 3.640 3.960 0.001 0.000 0.321 422 G C -1.294 173.527 174.900 -0.132 0.000 1.246 422 G CA 0.712 45.730 45.100 -0.137 0.000 1.000 422 G HN 0.306 nan 8.290 nan 0.000 0.550 423 P HA 0.008 nan 4.420 nan 0.000 0.221 423 P C 2.097 179.375 177.300 -0.036 0.000 1.145 423 P CA 1.604 64.627 63.100 -0.130 0.000 0.795 423 P CB -0.186 31.186 31.700 -0.547 0.000 0.775 424 C N -0.836 118.263 119.300 -0.335 0.000 2.410 424 C HA -0.089 4.371 4.460 0.001 0.000 0.281 424 C C 1.699 176.590 174.990 -0.165 0.000 1.318 424 C CA 0.803 59.539 59.018 -0.470 0.000 1.776 424 C CB -1.631 25.596 27.740 -0.855 0.000 1.942 424 C HN 0.147 nan 8.230 nan 0.000 0.508 425 I N -0.996 119.515 120.570 -0.098 0.000 3.762 425 I HA 0.434 4.604 4.170 0.001 0.000 0.333 425 I C 1.274 177.435 176.117 0.074 0.000 1.566 425 I CA 0.735 62.041 61.300 0.009 0.000 1.129 425 I CB -0.484 37.538 38.000 0.036 0.000 1.218 425 I HN 0.176 nan 8.210 nan 0.000 0.456 426 G N 0.779 109.648 108.800 0.114 0.000 2.143 426 G HA2 -0.237 3.723 3.960 0.001 0.000 0.249 426 G HA3 -0.237 3.723 3.960 0.001 0.000 0.249 426 G C 0.310 175.313 174.900 0.170 0.000 0.981 426 G CA -0.283 44.925 45.100 0.181 0.000 0.665 426 G HN 0.418 nan 8.290 nan 0.000 0.528 427 Q N -0.752 119.121 119.800 0.122 0.000 3.027 427 Q HA 0.347 4.688 4.340 0.001 0.000 0.260 427 Q C -0.761 175.354 176.000 0.192 0.000 1.379 427 Q CA -0.195 55.673 55.803 0.108 0.000 1.038 427 Q CB 0.338 29.099 28.738 0.038 0.000 1.578 427 Q HN 0.483 nan 8.270 nan 0.000 0.571 428 W N 2.328 123.631 121.300 0.005 0.000 3.036 428 W HA 0.195 4.855 4.660 0.000 0.000 0.337 428 W C -1.337 175.189 176.519 0.010 0.000 1.055 428 W CA -1.580 55.773 57.345 0.013 0.000 1.248 428 W CB 1.159 30.637 29.460 0.029 0.000 1.335 428 W HN 0.174 nan 8.180 nan 0.000 0.446 429 D N 4.538 125.073 120.400 0.224 0.000 2.558 429 D HA 0.113 4.753 4.640 0.001 0.000 0.221 429 D C -0.025 176.191 176.300 -0.140 0.000 1.143 429 D CA -0.115 53.896 54.000 0.018 0.000 1.010 429 D CB 0.116 40.944 40.800 0.046 0.000 1.068 429 D HN 0.285 nan 8.370 nan 0.000 0.511 430 R N 2.207 122.428 120.500 -0.464 0.000 2.248 430 R HA 0.215 4.555 4.340 0.001 0.000 0.328 430 R C 0.442 176.537 176.300 -0.341 0.000 1.067 430 R CA 0.002 55.674 56.100 -0.713 0.000 0.924 430 R CB 0.533 30.045 30.300 -1.312 0.000 1.013 430 R HN -0.007 nan 8.270 nan 0.000 0.454 431 K N 3.046 123.323 120.400 -0.206 0.000 2.440 431 K HA 0.011 4.332 4.320 0.001 0.000 0.207 431 K C 0.068 176.619 176.600 -0.083 0.000 1.112 431 K CA 0.322 56.540 56.287 -0.115 0.000 1.036 431 K CB 0.922 33.385 32.500 -0.062 0.000 0.935 431 K HN 0.788 nan 8.250 nan 0.000 0.564 432 D N 1.127 121.473 120.400 -0.090 0.000 2.312 432 D HA -0.061 4.580 4.640 0.001 0.000 0.211 432 D C 0.777 177.049 176.300 -0.047 0.000 0.964 432 D CA 0.300 54.271 54.000 -0.048 0.000 0.877 432 D CB -0.061 40.727 40.800 -0.020 0.000 0.924 432 D HN 0.171 nan 8.370 nan 0.000 0.515 433 I N -2.022 118.505 120.570 -0.072 0.000 2.892 433 I HA 0.417 4.587 4.170 0.001 0.000 0.306 433 I C -0.240 175.847 176.117 -0.049 0.000 1.078 433 I CA -1.604 59.667 61.300 -0.048 0.000 1.032 433 I CB 1.886 39.859 38.000 -0.045 0.000 1.229 433 I HN -0.226 nan 8.210 nan 0.000 0.435 434 K N 1.689 122.073 120.400 -0.026 0.000 2.098 434 K HA 0.538 4.858 4.320 0.001 0.000 0.244 434 K C -0.359 176.231 176.600 -0.017 0.000 1.014 434 K CA -0.887 55.386 56.287 -0.023 0.000 0.917 434 K CB 0.762 33.257 32.500 -0.009 0.000 1.072 434 K HN 0.500 nan 8.250 nan 0.000 0.477 435 K N -0.366 120.026 120.400 -0.013 0.000 2.355 435 K HA 0.177 4.498 4.320 0.001 0.000 0.270 435 K C 0.767 177.379 176.600 0.019 0.000 1.003 435 K CA 1.557 57.845 56.287 0.001 0.000 0.957 435 K CB 0.374 32.878 32.500 0.006 0.000 0.939 435 K HN 0.843 nan 8.250 nan 0.000 0.482 436 G N 1.779 110.601 108.800 0.037 0.000 2.184 436 G HA2 -0.326 3.634 3.960 0.001 0.000 0.264 436 G HA3 -0.326 3.634 3.960 0.001 0.000 0.264 436 G C -0.035 174.899 174.900 0.056 0.000 0.975 436 G CA 0.503 45.634 45.100 0.051 0.000 0.642 436 G HN 0.635 nan 8.290 nan 0.000 0.536 437 E N 0.913 121.139 120.200 0.044 0.000 2.290 437 E HA 0.373 4.723 4.350 0.001 0.000 0.277 437 E C 0.583 177.223 176.600 0.067 0.000 1.035 437 E CA -0.586 55.839 56.400 0.043 0.000 0.873 437 E CB 0.314 30.026 29.700 0.020 0.000 1.029 437 E HN 0.332 nan 8.360 nan 0.000 0.419 438 K N 4.746 125.192 120.400 0.076 0.000 2.368 438 K HA 0.058 4.379 4.320 0.001 0.000 0.282 438 K C -0.599 176.014 176.600 0.022 0.000 1.035 438 K CA -0.071 56.271 56.287 0.090 0.000 0.973 438 K CB 0.348 32.902 32.500 0.091 0.000 0.957 438 K HN 0.685 nan 8.250 nan 0.000 0.474 439 N N 1.419 120.124 118.700 0.009 0.000 3.185 439 N HA 0.144 4.885 4.740 0.001 0.000 0.238 439 N C -1.753 173.774 175.510 0.029 0.000 1.451 439 N CA -0.758 52.292 53.050 0.001 0.000 0.888 439 N CB 1.706 40.214 38.487 0.034 0.000 1.413 439 N HN 0.334 nan 8.380 nan 0.000 0.511 440 T N 1.141 115.734 114.554 0.066 0.000 2.812 440 T HA 0.594 4.945 4.350 0.001 0.000 0.282 440 T C -0.120 174.670 174.700 0.151 0.000 0.990 440 T CA -0.663 61.532 62.100 0.158 0.000 0.960 440 T CB 0.460 69.434 68.868 0.176 0.000 0.948 440 T HN 0.510 nan 8.240 nan 0.000 0.438 441 I N 1.156 121.836 120.570 0.183 0.000 2.569 441 I HA 0.901 5.071 4.170 0.001 0.000 0.296 441 I C -0.377 175.831 176.117 0.152 0.000 1.028 441 I CA -1.400 59.991 61.300 0.153 0.000 1.082 441 I CB 1.904 40.011 38.000 0.178 0.000 1.264 441 I HN 0.400 nan 8.210 nan 0.000 0.429 442 V N 2.350 122.316 119.914 0.086 0.000 2.555 442 V HA 0.897 5.017 4.120 0.001 0.000 0.302 442 V C -0.017 176.031 176.094 -0.077 0.000 1.038 442 V CA 0.154 62.489 62.300 0.059 0.000 0.887 442 V CB 1.377 33.232 31.823 0.054 0.000 0.991 442 V HN 1.045 nan 8.190 nan 0.000 0.434 443 T N 0.800 115.256 114.554 -0.164 0.000 2.916 443 T HA 0.582 4.932 4.350 0.001 0.000 0.292 443 T C 0.354 174.900 174.700 -0.255 0.000 1.064 443 T CA 0.019 61.867 62.100 -0.420 0.000 1.011 443 T CB 1.656 69.990 68.868 -0.890 0.000 1.152 443 T HN 1.569 nan 8.240 nan 0.000 0.510 444 S N 0.702 116.255 115.700 -0.246 0.000 2.526 444 S HA 0.322 4.792 4.470 0.001 0.000 0.247 444 S C -0.147 174.513 174.600 0.100 0.000 1.076 444 S CA -0.716 57.461 58.200 -0.039 0.000 1.105 444 S CB -0.961 62.244 63.200 0.008 0.000 0.793 444 S HN 0.609 nan 8.310 nan 0.000 0.458 445 Y N 3.060 123.311 120.300 -0.082 0.000 2.896 445 Y HA 0.418 4.969 4.550 0.001 0.000 0.444 445 Y C 1.698 177.515 175.900 -0.139 0.000 1.328 445 Y CA -0.953 57.072 58.100 -0.125 0.000 1.741 445 Y CB -0.333 38.047 38.460 -0.135 0.000 1.633 445 Y HN 0.507 nan 8.280 nan 0.000 0.748 446 N N -1.362 117.343 118.700 0.008 0.000 2.496 446 N HA 0.129 4.870 4.740 0.001 0.000 0.262 446 N C -0.376 175.061 175.510 -0.122 0.000 0.981 446 N CA -0.201 52.798 53.050 -0.084 0.000 0.903 446 N CB 0.419 38.783 38.487 -0.205 0.000 1.737 446 N HN 0.148 nan 8.380 nan 0.000 0.715 447 R N 0.823 121.216 120.500 -0.179 0.000 2.457 447 R HA 0.400 4.740 4.340 0.001 0.000 0.284 447 R C -0.521 175.586 176.300 -0.322 0.000 1.024 447 R CA -0.182 55.679 56.100 -0.398 0.000 1.025 447 R CB 0.576 30.549 30.300 -0.544 0.000 1.063 447 R HN 0.474 nan 8.270 nan 0.000 0.493 448 N N 1.483 119.940 118.700 -0.405 0.000 2.475 448 N HA 0.041 4.781 4.740 0.001 0.000 0.272 448 N C -1.041 174.393 175.510 -0.126 0.000 1.482 448 N CA -0.314 52.597 53.050 -0.232 0.000 0.863 448 N CB 0.139 38.475 38.487 -0.252 0.000 1.400 448 N HN 0.160 nan 8.380 nan 0.000 0.489 449 F N 1.252 121.200 119.950 -0.004 0.000 2.490 449 F HA 0.293 4.820 4.527 0.001 0.000 0.336 449 F C 1.522 177.360 175.800 0.063 0.000 1.178 449 F CA -0.559 57.470 58.000 0.050 0.000 1.301 449 F CB -0.038 39.004 39.000 0.070 0.000 1.175 449 F HN -0.168 nan 8.300 nan 0.000 0.593 450 T N 2.170 116.949 114.554 0.374 0.000 2.800 450 T HA 0.304 4.654 4.350 0.001 0.000 0.283 450 T C 1.048 175.841 174.700 0.155 0.000 0.999 450 T CA 1.351 63.627 62.100 0.294 0.000 1.176 450 T CB -0.449 68.560 68.868 0.235 0.000 0.973 450 T HN 1.067 nan 8.240 nan 0.000 0.519 451 G N 3.404 112.294 108.800 0.150 0.000 2.153 451 G HA2 -0.330 3.631 3.960 0.001 0.000 0.252 451 G HA3 -0.330 3.631 3.960 0.001 0.000 0.252 451 G C 0.954 175.925 174.900 0.118 0.000 0.994 451 G CA 0.667 45.835 45.100 0.113 0.000 0.698 451 G HN 0.712 nan 8.290 nan 0.000 0.521 452 R N -0.088 120.493 120.500 0.135 0.000 2.127 452 R HA 0.075 4.415 4.340 0.001 0.000 0.217 452 R C 2.212 178.607 176.300 0.158 0.000 1.074 452 R CA 1.362 57.547 56.100 0.142 0.000 0.991 452 R CB -0.214 30.171 30.300 0.141 0.000 0.895 452 R HN 0.540 nan 8.270 nan 0.000 0.450 453 N N 0.121 118.935 118.700 0.190 0.000 2.416 453 N HA -0.084 4.656 4.740 0.001 0.000 0.177 453 N C -0.184 175.565 175.510 0.398 0.000 1.036 453 N CA 1.130 54.364 53.050 0.307 0.000 0.901 453 N CB 0.445 39.153 38.487 0.368 0.000 0.976 453 N HN 0.317 nan 8.380 nan 0.000 0.444 454 D N -1.841 118.687 120.400 0.214 0.000 2.583 454 D HA 0.216 4.856 4.640 0.001 0.000 0.282 454 D C 0.463 176.781 176.300 0.030 0.000 1.485 454 D CA 0.113 54.156 54.000 0.071 0.000 0.834 454 D CB -0.527 40.181 40.800 -0.152 0.000 1.258 454 D HN -0.009 nan 8.370 nan 0.000 0.470 455 A N 0.213 123.081 122.820 0.079 0.000 2.910 455 A HA -0.313 4.008 4.320 0.001 0.000 0.267 455 A C 0.368 177.987 177.584 0.059 0.000 1.310 455 A CA 1.222 53.304 52.037 0.074 0.000 0.934 455 A CB -2.595 16.445 19.000 0.067 0.000 1.057 455 A HN 0.495 nan 8.150 nan 0.000 0.742 456 N N -0.090 118.642 118.700 0.053 0.000 2.439 456 N HA 0.437 5.177 4.740 0.001 0.000 0.249 456 N C -0.859 174.717 175.510 0.109 0.000 1.003 456 N CA -1.888 51.199 53.050 0.060 0.000 0.942 456 N CB 1.113 39.621 38.487 0.034 0.000 1.115 456 N HN 0.174 nan 8.380 nan 0.000 0.505 457 P HA -0.124 nan 4.420 nan 0.000 0.221 457 P C 0.153 177.596 177.300 0.240 0.000 1.145 457 P CA 1.134 64.326 63.100 0.155 0.000 0.795 457 P CB 0.547 32.303 31.700 0.093 0.000 0.775 458 E N -0.540 119.794 120.200 0.223 0.000 2.444 458 E HA 0.084 4.435 4.350 0.001 0.000 0.191 458 E C 0.076 176.932 176.600 0.428 0.000 1.041 458 E CA 0.200 56.797 56.400 0.329 0.000 0.883 458 E CB -0.055 29.783 29.700 0.229 0.000 1.024 458 E HN 0.186 nan 8.360 nan 0.000 0.470 459 T N 1.423 116.150 114.554 0.288 0.000 2.794 459 T HA 0.159 4.509 4.350 0.001 0.000 0.296 459 T C -0.342 174.424 174.700 0.110 0.000 0.949 459 T CA -0.239 61.993 62.100 0.219 0.000 1.101 459 T CB 0.307 69.242 68.868 0.111 0.000 0.905 459 T HN 0.026 nan 8.240 nan 0.000 0.516 460 H N 1.788 120.769 119.070 -0.148 0.000 2.690 460 H HA 0.555 5.112 4.556 0.000 0.000 0.289 460 H C 0.085 175.134 175.328 -0.465 0.000 1.089 460 H CA -0.710 55.033 56.048 -0.509 0.000 1.299 460 H CB 0.259 29.919 29.762 -0.171 0.000 1.405 460 H HN 0.716 nan 8.280 nan 0.000 0.463 461 A N 4.255 126.723 122.820 -0.587 0.000 2.276 461 A HA 0.576 4.896 4.320 0.001 0.000 0.316 461 A C -0.946 176.298 177.584 -0.567 0.000 1.229 461 A CA -0.544 51.287 52.037 -0.343 0.000 0.851 461 A CB 0.094 18.965 19.000 -0.214 0.000 1.165 461 A HN 0.486 nan 8.150 nan 0.000 0.513 462 F N 1.946 121.802 119.950 -0.156 0.000 2.458 462 F HA 0.495 5.023 4.527 0.001 0.000 0.336 462 F C 0.472 176.213 175.800 -0.097 0.000 1.114 462 F CA -0.653 57.274 58.000 -0.122 0.000 0.987 462 F CB 2.197 41.151 39.000 -0.076 0.000 1.130 462 F HN 0.487 nan 8.300 nan 0.000 0.458 463 V N 0.184 120.123 119.914 0.043 0.000 2.532 463 V HA 0.910 5.031 4.120 0.001 0.000 0.295 463 V C -0.346 175.783 176.094 0.058 0.000 1.041 463 V CA -0.106 62.202 62.300 0.014 0.000 0.926 463 V CB 1.256 33.068 31.823 -0.020 0.000 0.992 463 V HN 0.880 nan 8.190 nan 0.000 0.457 464 T N 2.122 116.701 114.554 0.041 0.000 2.626 464 T HA 0.535 4.885 4.350 0.001 0.000 0.299 464 T C -0.056 174.670 174.700 0.043 0.000 1.181 464 T CA 0.200 62.335 62.100 0.059 0.000 1.053 464 T CB 1.530 70.439 68.868 0.068 0.000 1.566 464 T HN 1.532 nan 8.240 nan 0.000 0.486 465 S N 1.788 117.523 115.700 0.059 0.000 2.603 465 S HA 0.368 4.838 4.470 0.001 0.000 0.268 465 S C -1.631 173.005 174.600 0.060 0.000 1.317 465 S CA -0.777 57.456 58.200 0.056 0.000 1.012 465 S CB 0.891 64.137 63.200 0.076 0.000 0.926 465 S HN 0.659 nan 8.310 nan 0.000 0.539 466 P HA -0.187 nan 4.420 nan 0.000 0.217 466 P C 1.336 178.697 177.300 0.101 0.000 1.150 466 P CA 1.336 64.474 63.100 0.064 0.000 0.832 466 P CB -0.041 31.681 31.700 0.036 0.000 0.787 467 E N -0.064 120.200 120.200 0.107 0.000 2.106 467 E HA -0.125 4.225 4.350 0.001 0.000 0.192 467 E C 2.093 178.858 176.600 0.275 0.000 0.984 467 E CA 0.944 57.448 56.400 0.173 0.000 0.806 467 E CB -0.977 28.808 29.700 0.142 0.000 0.750 467 E HN 0.206 nan 8.360 nan 0.000 0.458 468 I N 1.570 122.268 120.570 0.213 0.000 2.286 468 I HA -0.150 4.020 4.170 0.001 0.000 0.245 468 I C 2.653 178.813 176.117 0.072 0.000 1.104 468 I CA 0.507 61.880 61.300 0.122 0.000 1.397 468 I CB -0.815 37.225 38.000 0.067 0.000 1.072 468 I HN -0.032 nan 8.210 nan 0.000 0.417 469 V N 1.041 121.000 119.914 0.075 0.000 2.332 469 V HA -0.304 3.817 4.120 0.001 0.000 0.248 469 V C 2.567 178.692 176.094 0.053 0.000 1.055 469 V CA 2.398 64.737 62.300 0.065 0.000 1.038 469 V CB -1.181 30.693 31.823 0.086 0.000 0.651 469 V HN 0.436 nan 8.190 nan 0.000 0.450 470 T N 0.332 114.933 114.554 0.078 0.000 2.708 470 T HA -0.163 4.187 4.350 0.001 0.000 0.266 470 T C 2.064 176.696 174.700 -0.112 0.000 1.037 470 T CA 1.630 63.679 62.100 -0.085 0.000 1.146 470 T CB -0.462 68.428 68.868 0.036 0.000 0.865 470 T HN 0.584 nan 8.240 nan 0.000 0.435 471 A N 1.347 124.187 122.820 0.033 0.000 1.902 471 A HA 0.046 4.366 4.320 0.001 0.000 0.217 471 A C 2.279 179.857 177.584 -0.009 0.000 1.181 471 A CA 1.145 53.218 52.037 0.059 0.000 0.623 471 A CB -0.830 18.231 19.000 0.103 0.000 0.818 471 A HN 0.484 nan 8.150 nan 0.000 0.443 472 L N -0.981 120.244 121.223 0.003 0.000 2.291 472 L HA -0.110 4.231 4.340 0.001 0.000 0.214 472 L C 2.892 179.692 176.870 -0.117 0.000 1.120 472 L CA 0.726 55.552 54.840 -0.023 0.000 0.799 472 L CB -0.456 41.597 42.059 -0.010 0.000 0.925 472 L HN 0.460 nan 8.230 nan 0.000 0.446 473 A N 0.266 122.989 122.820 -0.162 0.000 1.930 473 A HA -0.059 4.261 4.320 0.001 0.000 0.215 473 A C 2.185 179.622 177.584 -0.246 0.000 1.176 473 A CA 0.826 52.741 52.037 -0.203 0.000 0.632 473 A CB -0.331 18.462 19.000 -0.346 0.000 0.819 473 A HN 0.286 nan 8.150 nan 0.000 0.445 474 I N -0.185 120.213 120.570 -0.287 0.000 2.179 474 I HA -0.271 3.900 4.170 0.001 0.000 0.242 474 I C 2.909 178.843 176.117 -0.306 0.000 1.088 474 I CA 1.212 62.355 61.300 -0.261 0.000 1.357 474 I CB -0.216 37.648 38.000 -0.225 0.000 1.051 474 I HN 0.350 nan 8.210 nan 0.000 0.409 475 A N -0.042 122.514 122.820 -0.440 0.000 1.968 475 A HA 0.109 4.429 4.320 0.001 0.000 0.217 475 A C 2.077 179.486 177.584 -0.290 0.000 1.169 475 A CA 1.285 52.990 52.037 -0.554 0.000 0.638 475 A CB -0.775 17.630 19.000 -0.992 0.000 0.812 475 A HN 0.585 nan 8.150 nan 0.000 0.446 476 G N -2.251 106.431 108.800 -0.196 0.000 2.179 476 G HA2 -0.181 3.779 3.960 0.001 0.000 0.260 476 G HA3 -0.181 3.779 3.960 0.001 0.000 0.260 476 G C 0.419 175.269 174.900 -0.083 0.000 0.977 476 G CA 1.069 46.101 45.100 -0.114 0.000 0.641 476 G HN 1.428 nan 8.290 nan 0.000 0.533 477 T N -0.990 113.511 114.554 -0.087 0.000 2.916 477 T HA 0.577 4.927 4.350 0.001 0.000 0.305 477 T C 1.442 176.125 174.700 -0.029 0.000 1.119 477 T CA -0.216 61.853 62.100 -0.051 0.000 1.008 477 T CB 1.151 69.995 68.868 -0.039 0.000 1.129 477 T HN 0.211 nan 8.240 nan 0.000 0.480 478 L N 2.272 123.458 121.223 -0.063 0.000 2.131 478 L HA 0.095 4.435 4.340 0.001 0.000 0.210 478 L C 1.528 178.365 176.870 -0.056 0.000 1.092 478 L CA 1.069 55.848 54.840 -0.101 0.000 0.759 478 L CB -0.215 41.736 42.059 -0.180 0.000 0.903 478 L HN 0.566 nan 8.230 nan 0.000 0.435 479 K N 0.772 121.157 120.400 -0.025 0.000 2.715 479 K HA 0.120 4.440 4.320 0.001 0.000 0.248 479 K C -0.892 175.752 176.600 0.072 0.000 1.276 479 K CA 0.015 56.295 56.287 -0.012 0.000 1.209 479 K CB -0.353 32.138 32.500 -0.014 0.000 1.509 479 K HN -0.060 nan 8.250 nan 0.000 0.261 480 F N 1.414 121.280 119.950 -0.140 0.000 2.605 480 F HA 0.256 4.783 4.527 0.000 0.000 0.320 480 F C -1.647 174.034 175.800 -0.198 0.000 1.159 480 F CA -1.374 56.529 58.000 -0.162 0.000 0.999 480 F CB 1.449 40.349 39.000 -0.167 0.000 1.258 480 F HN 0.040 nan 8.300 nan 0.000 0.464 481 N N 7.599 125.725 118.700 -0.956 0.000 2.483 481 N HA 0.484 5.224 4.740 0.001 0.000 0.267 481 N C -2.520 172.271 175.510 -1.198 0.000 0.998 481 N CA -2.617 49.946 53.050 -0.813 0.000 0.918 481 N CB 2.508 40.701 38.487 -0.489 0.000 1.215 481 N HN 0.239 nan 8.380 nan 0.000 0.500 482 P HA -0.065 nan 4.420 nan 0.000 0.219 482 P C 0.483 177.239 177.300 -0.907 0.000 1.146 482 P CA 1.193 63.629 63.100 -1.107 0.000 0.808 482 P CB 0.504 31.451 31.700 -1.254 0.000 0.779 483 E N -1.208 118.504 120.200 -0.814 0.000 2.112 483 E HA -0.078 4.272 4.350 0.001 0.000 0.190 483 E C 1.632 178.024 176.600 -0.347 0.000 0.979 483 E CA 1.727 57.835 56.400 -0.487 0.000 0.814 483 E CB -0.231 29.262 29.700 -0.345 0.000 0.762 483 E HN 0.405 nan 8.360 nan 0.000 0.460 484 T N -1.252 113.064 114.554 -0.395 0.000 3.046 484 T HA 0.028 4.378 4.350 0.001 0.000 0.242 484 T C 0.623 175.144 174.700 -0.298 0.000 1.018 484 T CA -0.194 61.737 62.100 -0.282 0.000 1.131 484 T CB 0.007 68.750 68.868 -0.208 0.000 0.904 484 T HN -0.162 nan 8.240 nan 0.000 0.459 485 D N 1.015 121.167 120.400 -0.413 0.000 2.329 485 D HA 0.480 5.120 4.640 0.001 0.000 0.246 485 D C -0.968 175.185 176.300 -0.245 0.000 1.111 485 D CA -0.536 53.316 54.000 -0.247 0.000 0.941 485 D CB 0.446 41.064 40.800 -0.303 0.000 1.169 485 D HN 0.195 nan 8.370 nan 0.000 0.441 486 F N 0.393 120.328 119.950 -0.026 0.000 2.421 486 F HA 0.309 4.837 4.527 0.000 0.000 0.337 486 F C 0.085 175.819 175.800 -0.111 0.000 1.105 486 F CA -0.840 57.114 58.000 -0.076 0.000 1.049 486 F CB 0.953 39.913 39.000 -0.066 0.000 1.139 486 F HN -0.035 nan 8.300 nan 0.000 0.479 487 L N 1.677 122.752 121.223 -0.246 0.000 2.332 487 L HA 0.589 4.930 4.340 0.001 0.000 0.269 487 L C -0.162 176.632 176.870 -0.128 0.000 1.016 487 L CA -0.514 54.088 54.840 -0.396 0.000 0.809 487 L CB 2.015 43.505 42.059 -0.948 0.000 1.280 487 L HN 0.503 nan 8.230 nan 0.000 0.447 488 T N 1.265 115.852 114.554 0.055 0.000 2.770 488 T HA 0.612 4.962 4.350 0.001 0.000 0.283 488 T C 0.359 175.249 174.700 0.317 0.000 0.988 488 T CA -0.566 61.654 62.100 0.201 0.000 0.957 488 T CB 1.297 70.223 68.868 0.098 0.000 0.930 488 T HN 0.761 nan 8.240 nan 0.000 0.443 489 G N 1.391 110.424 108.800 0.387 0.000 2.631 489 G HA2 0.196 4.156 3.960 0.001 0.000 0.271 489 G HA3 0.196 4.156 3.960 0.001 0.000 0.271 489 G C 1.026 176.012 174.900 0.142 0.000 1.302 489 G CA -0.429 44.821 45.100 0.250 0.000 1.002 489 G HN 0.754 nan 8.290 nan 0.000 0.519 490 K N -0.314 120.140 120.400 0.089 0.000 2.032 490 K HA -0.158 4.162 4.320 0.001 0.000 0.209 490 K C 2.020 178.646 176.600 0.043 0.000 1.048 490 K CA 1.979 58.296 56.287 0.050 0.000 0.927 490 K CB -0.137 32.376 32.500 0.022 0.000 0.712 490 K HN 0.624 nan 8.250 nan 0.000 0.441 491 D N -1.219 119.206 120.400 0.041 0.000 2.403 491 D HA -0.091 4.549 4.640 0.001 0.000 0.227 491 D C 1.170 177.499 176.300 0.049 0.000 0.995 491 D CA 1.227 55.247 54.000 0.034 0.000 0.928 491 D CB 0.043 40.858 40.800 0.025 0.000 0.887 491 D HN 0.561 nan 8.370 nan 0.000 0.529 492 G N 0.464 109.303 108.800 0.066 0.000 2.268 492 G HA2 -0.309 3.651 3.960 0.001 0.000 0.240 492 G HA3 -0.309 3.651 3.960 0.001 0.000 0.240 492 G C 0.272 175.224 174.900 0.086 0.000 1.010 492 G CA 0.216 45.354 45.100 0.063 0.000 0.618 492 G HN 0.474 nan 8.290 nan 0.000 0.516 493 K N 1.480 121.951 120.400 0.117 0.000 2.350 493 K HA 0.381 4.701 4.320 0.001 0.000 0.279 493 K C 0.345 177.080 176.600 0.225 0.000 1.027 493 K CA -0.347 56.028 56.287 0.146 0.000 0.969 493 K CB 0.593 33.190 32.500 0.161 0.000 0.954 493 K HN 0.029 nan 8.250 nan 0.000 0.474 494 K N 3.184 123.693 120.400 0.182 0.000 2.326 494 K HA 0.201 4.522 4.320 0.001 0.000 0.275 494 K C -0.111 176.776 176.600 0.478 0.000 1.018 494 K CA 0.013 56.456 56.287 0.261 0.000 0.962 494 K CB 0.183 32.688 32.500 0.009 0.000 0.953 494 K HN 0.489 nan 8.250 nan 0.000 0.475 495 F N -1.258 118.863 119.950 0.286 0.000 2.613 495 F HA 0.573 5.100 4.527 0.000 0.000 0.310 495 F C -0.703 175.028 175.800 -0.114 0.000 1.085 495 F CA -1.212 56.831 58.000 0.072 0.000 0.945 495 F CB 1.548 40.311 39.000 -0.396 0.000 1.298 495 F HN 0.184 nan 8.300 nan 0.000 0.455 496 K N 2.502 122.746 120.400 -0.260 0.000 2.221 496 K HA 0.504 4.824 4.320 0.001 0.000 0.258 496 K C -1.350 175.180 176.600 -0.116 0.000 0.944 496 K CA -0.997 54.985 56.287 -0.509 0.000 0.823 496 K CB 1.583 33.668 32.500 -0.691 0.000 1.113 496 K HN 0.609 nan 8.250 nan 0.000 0.431 497 L N 3.951 125.134 121.223 -0.066 0.000 2.477 497 L HA 0.054 4.394 4.340 0.001 0.000 0.272 497 L C 0.817 177.842 176.870 0.259 0.000 1.157 497 L CA 0.530 55.478 54.840 0.181 0.000 0.889 497 L CB 0.168 42.416 42.059 0.315 0.000 1.158 497 L HN 0.662 nan 8.230 nan 0.000 0.473 498 E N 3.894 124.206 120.200 0.188 0.000 2.354 498 E HA 0.254 4.604 4.350 0.001 0.000 0.269 498 E C -0.589 175.978 176.600 -0.055 0.000 1.036 498 E CA -0.585 55.872 56.400 0.095 0.000 0.876 498 E CB 1.369 31.094 29.700 0.041 0.000 1.009 498 E HN 0.581 nan 8.360 nan 0.000 0.416 499 A N 5.793 128.455 122.820 -0.263 0.000 2.511 499 A HA 0.245 4.565 4.320 0.001 0.000 0.242 499 A C -1.990 175.170 177.584 -0.706 0.000 1.069 499 A CA -0.959 50.470 52.037 -1.013 0.000 0.763 499 A CB -0.338 18.220 19.000 -0.738 0.000 1.001 499 A HN 0.571 nan 8.150 nan 0.000 0.498 500 P HA 0.247 nan 4.420 nan 0.000 0.276 500 P C -1.061 176.048 177.300 -0.318 0.000 1.230 500 P CA 0.053 62.874 63.100 -0.464 0.000 0.776 500 P CB 1.091 32.525 31.700 -0.445 0.000 0.888 501 D N 1.618 121.892 120.400 -0.210 0.000 2.498 501 D HA 0.643 5.283 4.640 0.001 0.000 0.247 501 D C -1.476 174.752 176.300 -0.119 0.000 1.070 501 D CA -0.685 53.228 54.000 -0.145 0.000 0.842 501 D CB 1.559 42.297 40.800 -0.104 0.000 1.361 501 D HN 0.462 nan 8.370 nan 0.000 0.484 502 A N 2.736 125.499 122.820 -0.095 0.000 2.612 502 A HA 0.493 4.814 4.320 0.001 0.000 0.293 502 A C -1.381 176.202 177.584 -0.002 0.000 1.075 502 A CA -0.933 51.062 52.037 -0.071 0.000 0.680 502 A CB 1.111 20.009 19.000 -0.170 0.000 1.279 502 A HN 0.541 nan 8.150 nan 0.000 0.411 503 D N 1.187 121.633 120.400 0.077 0.000 2.399 503 D HA 0.209 4.849 4.640 0.001 0.000 0.241 503 D C 1.294 177.707 176.300 0.188 0.000 1.133 503 D CA 0.485 54.568 54.000 0.139 0.000 0.890 503 D CB 0.945 41.875 40.800 0.217 0.000 1.201 503 D HN 0.691 nan 8.370 nan 0.000 0.432 504 E N 1.105 121.393 120.200 0.147 0.000 2.230 504 E HA 0.048 4.398 4.350 0.001 0.000 0.192 504 E C 0.265 177.022 176.600 0.262 0.000 0.987 504 E CA 0.435 56.938 56.400 0.171 0.000 0.841 504 E CB 0.343 30.099 29.700 0.093 0.000 0.783 504 E HN 0.298 nan 8.360 nan 0.000 0.481 505 L N 1.112 122.415 121.223 0.133 0.000 2.376 505 L HA 0.466 4.807 4.340 0.001 0.000 0.258 505 L C -2.534 174.068 176.870 -0.446 0.000 1.013 505 L CA -3.059 51.682 54.840 -0.166 0.000 0.822 505 L CB 2.502 44.494 42.059 -0.112 0.000 1.388 505 L HN -0.125 nan 8.230 nan 0.000 0.413 506 P HA 0.154 nan 4.420 nan 0.000 0.271 506 P C -0.196 176.873 177.300 -0.385 0.000 1.216 506 P CA -0.191 62.447 63.100 -0.770 0.000 0.776 506 P CB 1.145 32.236 31.700 -1.014 0.000 0.881 507 R N 1.757 122.145 120.500 -0.186 0.000 2.066 507 R HA -0.016 4.324 4.340 0.001 0.000 0.232 507 R C 1.401 177.615 176.300 -0.143 0.000 1.131 507 R CA 1.388 57.416 56.100 -0.119 0.000 0.955 507 R CB -0.444 29.823 30.300 -0.055 0.000 0.851 507 R HN 0.618 nan 8.270 nan 0.000 0.432 508 A N 1.123 123.850 122.820 -0.154 0.000 2.260 508 A HA 0.135 4.455 4.320 0.001 0.000 0.278 508 A C -0.026 177.436 177.584 -0.203 0.000 1.269 508 A CA -0.410 51.543 52.037 -0.139 0.000 0.824 508 A CB 0.169 19.105 19.000 -0.107 0.000 1.238 508 A HN 0.045 nan 8.150 nan 0.000 0.507 509 E N -0.993 119.121 120.200 -0.144 0.000 2.376 509 E HA 0.355 4.705 4.350 0.001 0.000 0.254 509 E C -0.886 175.618 176.600 -0.160 0.000 1.213 509 E CA -0.214 56.103 56.400 -0.137 0.000 0.945 509 E CB 0.039 29.715 29.700 -0.040 0.000 1.057 509 E HN 0.362 nan 8.360 nan 0.000 0.479 510 F N 1.024 120.900 119.950 -0.125 0.000 2.471 510 F HA 0.003 4.530 4.527 0.001 0.000 0.353 510 F C 1.320 177.085 175.800 -0.059 0.000 1.113 510 F CA 0.362 58.295 58.000 -0.112 0.000 1.262 510 F CB 0.443 39.378 39.000 -0.108 0.000 1.146 510 F HN 0.082 nan 8.300 nan 0.000 0.578 511 D N 5.595 126.096 120.400 0.170 0.000 2.316 511 D HA 0.121 4.762 4.640 0.001 0.000 0.245 511 D C -1.592 174.776 176.300 0.113 0.000 1.171 511 D CA -1.943 52.119 54.000 0.103 0.000 0.856 511 D CB 1.593 42.437 40.800 0.072 0.000 1.090 511 D HN 0.203 nan 8.370 nan 0.000 0.476 512 P HA -0.002 nan 4.420 nan 0.000 0.230 512 P C 0.858 178.208 177.300 0.083 0.000 1.158 512 P CA 0.667 63.815 63.100 0.081 0.000 0.769 512 P CB 0.278 32.026 31.700 0.081 0.000 0.807 513 G N 0.875 109.719 108.800 0.073 0.000 2.645 513 G HA2 -0.224 3.736 3.960 0.001 0.000 0.239 513 G HA3 -0.224 3.736 3.960 0.001 0.000 0.239 513 G C -0.561 174.378 174.900 0.064 0.000 1.331 513 G CA 0.123 45.263 45.100 0.066 0.000 0.890 513 G HN 0.644 nan 8.290 nan 0.000 0.572 514 Q N 0.645 120.480 119.800 0.059 0.000 2.306 514 Q HA 0.485 4.825 4.340 0.001 0.000 0.241 514 Q C 0.577 176.616 176.000 0.065 0.000 0.948 514 Q CA -0.006 55.829 55.803 0.053 0.000 0.886 514 Q CB 0.777 29.538 28.738 0.039 0.000 1.227 514 Q HN 0.860 nan 8.270 nan 0.000 0.457 515 D N 1.764 122.194 120.400 0.050 0.000 2.554 515 D HA -0.095 4.545 4.640 0.001 0.000 0.251 515 D C -0.187 176.126 176.300 0.021 0.000 1.213 515 D CA 0.812 54.836 54.000 0.041 0.000 0.900 515 D CB 0.501 41.315 40.800 0.023 0.000 1.135 515 D HN 0.822 nan 8.370 nan 0.000 0.522 516 T N -0.234 114.326 114.554 0.010 0.000 3.087 516 T HA 0.023 4.373 4.350 0.001 0.000 0.283 516 T C 0.191 174.780 174.700 -0.185 0.000 0.956 516 T CA -0.554 61.536 62.100 -0.016 0.000 0.894 516 T CB -0.422 68.513 68.868 0.112 0.000 1.160 516 T HN 0.397 nan 8.240 nan 0.000 0.532 517 Y N 2.676 122.639 120.300 -0.563 0.000 2.310 517 Y HA 0.603 5.153 4.550 0.001 0.000 0.326 517 Y C -0.015 175.604 175.900 -0.468 0.000 1.151 517 Y CA -1.204 56.311 58.100 -0.975 0.000 1.195 517 Y CB 1.219 38.789 38.460 -1.485 0.000 1.210 517 Y HN 0.148 nan 8.280 nan 0.000 0.483 518 Q N 5.634 124.754 119.800 -1.134 0.000 2.363 518 Q HA 0.192 4.533 4.340 0.001 0.000 0.265 518 Q C -1.266 174.142 176.000 -0.986 0.000 1.032 518 Q CA -0.605 54.764 55.803 -0.722 0.000 0.746 518 Q CB 0.431 29.012 28.738 -0.261 0.000 1.237 518 Q HN 0.826 nan 8.270 nan 0.000 0.475 519 H N 4.754 123.348 119.070 -0.794 0.000 2.732 519 H HA 0.196 4.752 4.556 0.001 0.000 0.351 519 H C -2.025 173.169 175.328 -0.224 0.000 1.090 519 H CA -1.270 54.535 56.048 -0.404 0.000 1.431 519 H CB 1.073 30.820 29.762 -0.025 0.000 1.447 519 H HN 0.546 nan 8.280 nan 0.000 0.582 520 P HA 0.059 nan 4.420 nan 0.000 0.268 520 P C -2.707 174.469 177.300 -0.206 0.000 1.205 520 P CA -1.383 61.513 63.100 -0.341 0.000 0.771 520 P CB 0.091 31.600 31.700 -0.319 0.000 0.858 521 P HA 0.095 nan 4.420 nan 0.000 0.269 521 P C 0.291 177.547 177.300 -0.073 0.000 1.263 521 P CA 0.009 63.066 63.100 -0.072 0.000 0.813 521 P CB 0.477 32.128 31.700 -0.081 0.000 0.868 522 K N 2.363 122.741 120.400 -0.037 0.000 2.417 522 K HA 0.053 4.373 4.320 0.001 0.000 0.196 522 K C 0.909 177.485 176.600 -0.040 0.000 1.023 522 K CA 0.246 56.505 56.287 -0.046 0.000 1.122 522 K CB 0.310 32.790 32.500 -0.034 0.000 0.850 522 K HN 0.613 nan 8.250 nan 0.000 0.521 523 D N -0.732 119.647 120.400 -0.035 0.000 2.311 523 D HA 0.054 4.694 4.640 0.001 0.000 0.278 523 D C 1.084 177.357 176.300 -0.046 0.000 1.189 523 D CA -0.283 53.697 54.000 -0.033 0.000 1.117 523 D CB -0.286 40.500 40.800 -0.023 0.000 1.168 523 D HN -0.241 nan 8.370 nan 0.000 0.509 524 S N 0.319 115.992 115.700 -0.046 0.000 2.456 524 S HA -0.358 4.113 4.470 0.001 0.000 0.359 524 S C 1.397 175.952 174.600 -0.075 0.000 1.227 524 S CA 3.124 61.290 58.200 -0.057 0.000 1.598 524 S CB -1.344 61.820 63.200 -0.059 0.000 1.444 524 S HN 0.592 nan 8.310 nan 0.000 0.483 525 S N 0.072 115.713 115.700 -0.097 0.000 3.123 525 S HA -0.236 4.234 4.470 0.001 0.000 0.330 525 S C 0.858 175.376 174.600 -0.137 0.000 1.248 525 S CA 0.773 58.895 58.200 -0.129 0.000 1.000 525 S CB -1.627 61.502 63.200 -0.118 0.000 1.049 525 S HN 1.027 nan 8.310 nan 0.000 0.658 526 G N -0.271 108.464 108.800 -0.109 0.000 3.279 526 G HA2 0.276 4.237 3.960 0.001 0.000 0.230 526 G HA3 0.276 4.237 3.960 0.001 0.000 0.230 526 G C 0.198 175.033 174.900 -0.108 0.000 1.230 526 G CA -0.264 44.778 45.100 -0.098 0.000 0.891 526 G HN 0.467 nan 8.290 nan 0.000 0.518 527 Q N 0.290 120.005 119.800 -0.142 0.000 2.395 527 Q HA 0.343 4.683 4.340 0.001 0.000 0.271 527 Q C 0.390 176.312 176.000 -0.132 0.000 1.026 527 Q CA 0.550 56.268 55.803 -0.141 0.000 0.900 527 Q CB 0.703 29.333 28.738 -0.181 0.000 1.266 527 Q HN 0.265 nan 8.270 nan 0.000 0.430 528 R N 0.979 121.425 120.500 -0.090 0.000 2.255 528 R HA 0.414 4.754 4.340 0.001 0.000 0.326 528 R C -1.043 175.230 176.300 -0.044 0.000 0.986 528 R CA -0.612 55.453 56.100 -0.058 0.000 0.847 528 R CB 1.139 31.420 30.300 -0.030 0.000 1.111 528 R HN 0.337 nan 8.270 nan 0.000 0.452 529 V N 2.969 122.871 119.914 -0.019 0.000 2.455 529 V HA 0.054 4.174 4.120 0.001 0.000 0.273 529 V C -0.028 176.123 176.094 0.095 0.000 1.045 529 V CA -0.191 62.128 62.300 0.031 0.000 0.976 529 V CB 1.133 32.999 31.823 0.072 0.000 0.993 529 V HN 0.673 nan 8.190 nan 0.000 0.475 530 D N 4.316 124.785 120.400 0.114 0.000 2.381 530 D HA 0.483 5.124 4.640 0.001 0.000 0.235 530 D C -0.865 175.518 176.300 0.138 0.000 1.068 530 D CA -0.232 53.830 54.000 0.103 0.000 0.832 530 D CB 1.750 42.587 40.800 0.060 0.000 1.101 530 D HN 0.281 nan 8.370 nan 0.000 0.515 531 V N 3.673 123.649 119.914 0.103 0.000 2.334 531 V HA 0.307 4.427 4.120 0.001 0.000 0.281 531 V C 0.369 176.479 176.094 0.027 0.000 1.016 531 V CA -0.915 61.414 62.300 0.049 0.000 0.832 531 V CB 1.147 32.977 31.823 0.011 0.000 0.999 531 V HN 0.678 nan 8.190 nan 0.000 0.439 532 S N 7.471 123.186 115.700 0.025 0.000 2.549 532 S HA 0.190 4.660 4.470 0.001 0.000 0.286 532 S C -0.686 173.927 174.600 0.021 0.000 1.314 532 S CA -0.737 57.477 58.200 0.024 0.000 1.062 532 S CB 0.944 64.160 63.200 0.027 0.000 0.865 532 S HN 0.686 nan 8.310 nan 0.000 0.498 533 P HA 0.008 nan 4.420 nan 0.000 0.230 533 P C 0.772 178.094 177.300 0.036 0.000 1.158 533 P CA 0.821 63.932 63.100 0.018 0.000 0.769 533 P CB -0.332 31.377 31.700 0.013 0.000 0.807 534 T N -4.755 109.823 114.554 0.041 0.000 3.092 534 T HA 0.135 4.486 4.350 0.001 0.000 0.258 534 T C 0.849 175.589 174.700 0.067 0.000 1.031 534 T CA -0.316 61.814 62.100 0.051 0.000 0.925 534 T CB -0.522 68.367 68.868 0.034 0.000 1.036 534 T HN -0.022 nan 8.240 nan 0.000 0.544 535 S N 1.367 117.113 115.700 0.077 0.000 2.558 535 S HA 0.047 4.517 4.470 0.001 0.000 0.288 535 S C 1.150 175.844 174.600 0.155 0.000 1.318 535 S CA -0.358 57.898 58.200 0.093 0.000 1.056 535 S CB 0.570 63.816 63.200 0.076 0.000 0.853 535 S HN 0.293 nan 8.310 nan 0.000 0.505 536 Q N 3.074 122.925 119.800 0.085 0.000 2.392 536 Q HA 0.214 4.554 4.340 0.001 0.000 0.203 536 Q C 1.406 177.466 176.000 0.101 0.000 0.917 536 Q CA 0.598 56.389 55.803 -0.020 0.000 0.939 536 Q CB 0.193 28.952 28.738 0.034 0.000 1.063 536 Q HN 0.698 nan 8.270 nan 0.000 0.516 537 R N -1.007 119.609 120.500 0.192 0.000 2.344 537 R HA 0.344 4.684 4.340 0.001 0.000 0.209 537 R C 0.077 176.483 176.300 0.177 0.000 0.886 537 R CA 0.133 56.350 56.100 0.195 0.000 1.040 537 R CB 1.117 31.444 30.300 0.045 0.000 1.114 537 R HN 0.002 nan 8.270 nan 0.000 0.547 538 L N 0.830 122.137 121.223 0.140 0.000 2.431 538 L HA 0.430 4.770 4.340 0.001 0.000 0.266 538 L C -1.065 175.732 176.870 -0.122 0.000 0.978 538 L CA -0.679 54.111 54.840 -0.083 0.000 0.822 538 L CB 2.474 44.368 42.059 -0.275 0.000 1.310 538 L HN -0.079 nan 8.230 nan 0.000 0.409 539 Q N 3.232 122.863 119.800 -0.281 0.000 2.268 539 Q HA 0.489 4.829 4.340 0.001 0.000 0.266 539 Q C -1.646 174.209 176.000 -0.242 0.000 1.006 539 Q CA -0.668 54.928 55.803 -0.346 0.000 0.824 539 Q CB 2.197 30.497 28.738 -0.729 0.000 1.306 539 Q HN 0.575 nan 8.270 nan 0.000 0.424 540 L N 3.846 124.974 121.223 -0.158 0.000 2.483 540 L HA 0.186 4.526 4.340 0.001 0.000 0.276 540 L C -0.002 176.781 176.870 -0.144 0.000 1.213 540 L CA -0.086 54.687 54.840 -0.112 0.000 0.843 540 L CB 0.165 42.187 42.059 -0.060 0.000 1.107 540 L HN 0.552 nan 8.230 nan 0.000 0.487 541 L N 2.527 123.664 121.223 -0.144 0.000 2.371 541 L HA 0.264 4.605 4.340 0.001 0.000 0.272 541 L C 0.340 177.106 176.870 -0.173 0.000 1.124 541 L CA -0.048 54.677 54.840 -0.191 0.000 0.816 541 L CB 0.792 42.719 42.059 -0.220 0.000 1.129 541 L HN 0.605 nan 8.230 nan 0.000 0.448 542 E N 4.857 124.943 120.200 -0.190 0.000 2.197 542 E HA 0.336 4.686 4.350 0.001 0.000 0.281 542 E C -2.227 174.220 176.600 -0.255 0.000 0.995 542 E CA -1.911 54.397 56.400 -0.152 0.000 0.808 542 E CB 1.188 30.841 29.700 -0.080 0.000 1.093 542 E HN 0.323 nan 8.360 nan 0.000 0.394 543 P HA -0.004 nan 4.420 nan 0.000 0.266 543 P C -0.758 176.438 177.300 -0.173 0.000 1.195 543 P CA 0.171 63.138 63.100 -0.222 0.000 0.768 543 P CB 0.256 31.894 31.700 -0.103 0.000 0.838 544 F N 1.418 121.371 119.950 0.005 0.000 2.406 544 F HA 0.057 4.584 4.527 0.000 0.000 0.327 544 F C 1.590 177.385 175.800 -0.007 0.000 1.153 544 F CA -0.368 57.638 58.000 0.010 0.000 1.218 544 F CB -0.096 38.910 39.000 0.011 0.000 1.215 544 F HN 0.356 nan 8.300 nan 0.000 0.570 545 D N 2.203 122.723 120.400 0.200 0.000 2.488 545 D HA -0.031 4.609 4.640 0.001 0.000 0.238 545 D C -0.240 176.096 176.300 0.059 0.000 1.138 545 D CA -0.161 53.890 54.000 0.085 0.000 0.873 545 D CB 0.616 41.447 40.800 0.051 0.000 1.183 545 D HN 0.236 nan 8.370 nan 0.000 0.458 546 K N 1.254 121.671 120.400 0.027 0.000 2.276 546 K HA 0.022 4.343 4.320 0.001 0.000 0.259 546 K C 0.179 176.787 176.600 0.013 0.000 1.001 546 K CA -0.602 55.694 56.287 0.016 0.000 0.927 546 K CB 0.563 33.067 32.500 0.008 0.000 0.969 546 K HN 0.589 nan 8.250 nan 0.000 0.490 547 W N 4.007 125.156 121.300 -0.251 0.000 2.223 547 W HA -0.049 4.611 4.660 0.001 0.000 0.334 547 W C 0.663 177.091 176.519 -0.150 0.000 1.334 547 W CA -0.134 57.034 57.345 -0.294 0.000 1.246 547 W CB 0.290 29.432 29.460 -0.530 0.000 1.184 547 W HN 0.700 nan 8.180 nan 0.000 0.563 548 D N 2.635 122.724 120.400 -0.518 0.000 2.371 548 D HA 0.029 4.669 4.640 0.001 0.000 0.221 548 D C 1.682 177.470 176.300 -0.853 0.000 0.986 548 D CA 0.908 54.586 54.000 -0.535 0.000 0.899 548 D CB -0.466 40.145 40.800 -0.315 0.000 0.902 548 D HN 0.814 nan 8.370 nan 0.000 0.530 549 G N -0.374 107.312 108.800 -1.856 0.000 2.157 549 G HA2 -0.292 3.668 3.960 0.001 0.000 0.248 549 G HA3 -0.292 3.668 3.960 0.001 0.000 0.248 549 G C 0.126 174.435 174.900 -0.984 0.000 0.979 549 G CA 0.260 44.266 45.100 -1.824 0.000 0.650 549 G HN 0.514 nan 8.290 nan 0.000 0.529 550 K N 0.470 120.505 120.400 -0.609 0.000 2.221 550 K HA 0.526 4.847 4.320 0.001 0.000 0.243 550 K C -0.350 176.387 176.600 0.228 0.000 0.968 550 K CA -1.070 55.159 56.287 -0.097 0.000 0.846 550 K CB 1.162 33.594 32.500 -0.112 0.000 1.141 550 K HN 0.061 nan 8.250 nan 0.000 0.434 551 D N 1.032 121.527 120.400 0.158 0.000 2.363 551 D HA 0.063 4.703 4.640 0.001 0.000 0.240 551 D C -0.186 176.171 176.300 0.095 0.000 1.236 551 D CA 0.205 54.286 54.000 0.134 0.000 0.927 551 D CB 0.578 41.407 40.800 0.050 0.000 1.150 551 D HN 0.220 nan 8.370 nan 0.000 0.458 552 L N 1.807 123.059 121.223 0.048 0.000 2.272 552 L HA 0.189 4.530 4.340 0.001 0.000 0.284 552 L C 0.612 177.477 176.870 -0.008 0.000 1.045 552 L CA -0.521 54.332 54.840 0.022 0.000 0.842 552 L CB 0.333 42.389 42.059 -0.006 0.000 1.224 552 L HN 0.204 nan 8.230 nan 0.000 0.430 553 E N 2.623 122.819 120.200 -0.007 0.000 2.202 553 E HA 0.224 4.574 4.350 0.001 0.000 0.272 553 E C -0.733 175.855 176.600 -0.021 0.000 0.951 553 E CA -0.841 55.549 56.400 -0.017 0.000 0.813 553 E CB 1.565 31.256 29.700 -0.014 0.000 1.151 553 E HN 0.398 nan 8.360 nan 0.000 0.398 554 D N 1.279 121.663 120.400 -0.026 0.000 2.697 554 D HA -0.178 4.462 4.640 0.001 0.000 0.235 554 D C -0.358 175.923 176.300 -0.032 0.000 1.167 554 D CA 0.697 54.680 54.000 -0.029 0.000 0.656 554 D CB -1.200 39.585 40.800 -0.025 0.000 1.025 554 D HN 0.418 nan 8.370 nan 0.000 0.419 555 L N 0.109 121.315 121.223 -0.029 0.000 2.416 555 L HA 0.140 4.480 4.340 0.001 0.000 0.272 555 L C 1.094 177.950 176.870 -0.024 0.000 1.161 555 L CA -0.104 54.724 54.840 -0.019 0.000 0.845 555 L CB 0.602 42.654 42.059 -0.013 0.000 1.119 555 L HN 0.010 nan 8.230 nan 0.000 0.464 556 Q N 2.900 122.679 119.800 -0.035 0.000 2.259 556 Q HA 0.389 4.729 4.340 0.001 0.000 0.249 556 Q C -0.750 175.262 176.000 0.020 0.000 0.914 556 Q CA -0.050 55.703 55.803 -0.083 0.000 0.904 556 Q CB 1.176 29.728 28.738 -0.310 0.000 1.213 556 Q HN 0.469 nan 8.270 nan 0.000 0.428 557 I N 5.574 126.154 120.570 0.017 0.000 2.363 557 I HA 0.002 4.173 4.170 0.001 0.000 0.292 557 I C 0.812 176.974 176.117 0.075 0.000 1.075 557 I CA -0.261 61.078 61.300 0.065 0.000 1.333 557 I CB 0.758 38.777 38.000 0.032 0.000 1.415 557 I HN 0.774 nan 8.210 nan 0.000 0.502 558 L N 8.736 130.020 121.223 0.102 0.000 2.027 558 L HA 0.212 4.553 4.340 0.001 0.000 0.206 558 L C 0.413 177.265 176.870 -0.030 0.000 1.074 558 L CA 1.898 56.721 54.840 -0.028 0.000 0.745 558 L CB 0.146 41.931 42.059 -0.456 0.000 0.898 558 L HN 0.579 nan 8.230 nan 0.000 0.433 559 I N -0.850 119.726 120.570 0.010 0.000 2.753 559 I HA 0.210 4.381 4.170 0.001 0.000 0.291 559 I C -1.273 174.878 176.117 0.057 0.000 1.425 559 I CA -0.757 60.559 61.300 0.027 0.000 1.039 559 I CB 1.303 39.314 38.000 0.019 0.000 1.349 559 I HN -0.057 nan 8.210 nan 0.000 0.430 560 K N 7.130 127.557 120.400 0.045 0.000 2.281 560 K HA 0.595 4.916 4.320 0.001 0.000 0.272 560 K C -1.502 175.149 176.600 0.085 0.000 1.048 560 K CA -0.506 55.803 56.287 0.036 0.000 0.898 560 K CB 1.333 33.803 32.500 -0.050 0.000 1.128 560 K HN 0.471 nan 8.250 nan 0.000 0.460 561 V N 4.326 124.327 119.914 0.145 0.000 2.607 561 V HA 0.219 4.339 4.120 0.001 0.000 0.289 561 V C 0.131 176.348 176.094 0.204 0.000 1.053 561 V CA -0.516 61.879 62.300 0.159 0.000 0.996 561 V CB 1.347 33.285 31.823 0.191 0.000 0.995 561 V HN 0.703 nan 8.190 nan 0.000 0.476 562 K N 2.800 123.280 120.400 0.133 0.000 2.206 562 K HA 0.594 4.914 4.320 0.001 0.000 0.264 562 K C 0.539 177.158 176.600 0.032 0.000 0.967 562 K CA 0.586 56.949 56.287 0.126 0.000 0.844 562 K CB 1.257 33.814 32.500 0.095 0.000 1.099 562 K HN 1.019 nan 8.250 nan 0.000 0.441 563 G N 3.374 112.169 108.800 -0.009 0.000 2.552 563 G HA2 -0.318 3.643 3.960 0.001 0.000 0.265 563 G HA3 -0.318 3.643 3.960 0.001 0.000 0.265 563 G C -0.672 174.164 174.900 -0.108 0.000 1.234 563 G CA -0.143 44.918 45.100 -0.065 0.000 0.944 563 G HN 0.696 nan 8.290 nan 0.000 0.568 564 K N -0.342 119.960 120.400 -0.163 0.000 2.416 564 K HA 0.408 4.728 4.320 0.001 0.000 0.283 564 K C -0.611 175.702 176.600 -0.477 0.000 1.037 564 K CA 0.270 56.403 56.287 -0.258 0.000 0.995 564 K CB 0.117 32.473 32.500 -0.239 0.000 0.938 564 K HN 0.831 nan 8.250 nan 0.000 0.475 565 C N 5.109 124.144 119.300 -0.442 0.000 2.801 565 C HA 0.305 4.765 4.460 0.001 0.000 0.296 565 C C -0.007 174.696 174.990 -0.478 0.000 1.054 565 C CA -0.451 58.234 59.018 -0.555 0.000 1.442 565 C CB -0.125 27.418 27.740 -0.328 0.000 1.860 565 C HN 0.924 nan 8.230 nan 0.000 0.459 566 T N 2.521 116.880 114.554 -0.326 0.000 2.788 566 T HA 0.158 4.508 4.350 0.001 0.000 0.287 566 T C 1.673 176.275 174.700 -0.162 0.000 1.007 566 T CA 0.485 62.457 62.100 -0.212 0.000 1.005 566 T CB 1.011 69.743 68.868 -0.225 0.000 1.012 566 T HN 0.766 nan 8.240 nan 0.000 0.530 567 T N -1.464 113.015 114.554 -0.125 0.000 3.035 567 T HA -0.054 4.296 4.350 0.001 0.000 0.268 567 T C 1.154 175.851 174.700 -0.004 0.000 1.109 567 T CA 0.706 62.745 62.100 -0.102 0.000 1.119 567 T CB -0.067 68.777 68.868 -0.040 0.000 0.900 567 T HN 0.436 nan 8.240 nan 0.000 0.503 568 D N 0.964 121.387 120.400 0.039 0.000 2.277 568 D HA -0.010 4.630 4.640 0.001 0.000 0.208 568 D C 1.655 177.923 176.300 -0.053 0.000 0.962 568 D CA 0.826 54.844 54.000 0.029 0.000 0.865 568 D CB -0.104 40.751 40.800 0.091 0.000 0.939 568 D HN 0.569 nan 8.370 nan 0.000 0.510 569 H N 0.006 119.028 119.070 -0.079 0.000 2.436 569 H HA 0.110 4.666 4.556 0.000 0.000 0.294 569 H C 2.066 177.349 175.328 -0.076 0.000 1.048 569 H CA 0.651 56.653 56.048 -0.077 0.000 1.353 569 H CB 0.189 29.884 29.762 -0.111 0.000 1.414 569 H HN 0.127 nan 8.280 nan 0.000 0.536 570 I N -1.450 119.129 120.570 0.016 0.000 2.400 570 I HA -0.042 4.128 4.170 0.001 0.000 0.248 570 I C 0.583 176.694 176.117 -0.009 0.000 1.109 570 I CA 0.679 61.980 61.300 0.001 0.000 1.425 570 I CB 0.446 38.413 38.000 -0.055 0.000 1.094 570 I HN 0.019 nan 8.210 nan 0.000 0.425 571 S N 0.912 116.598 115.700 -0.023 0.000 2.356 571 S HA 0.610 5.080 4.470 0.001 0.000 0.171 571 S C -0.180 174.396 174.600 -0.040 0.000 1.399 571 S CA -0.757 57.413 58.200 -0.050 0.000 1.225 571 S CB 0.009 63.237 63.200 0.048 0.000 1.271 571 S HN 0.226 nan 8.310 nan 0.000 0.427 572 A N 2.826 125.585 122.820 -0.101 0.000 2.583 572 A HA 0.620 4.941 4.320 0.001 0.000 0.231 572 A C 1.159 178.820 177.584 0.127 0.000 1.065 572 A CA 0.670 52.710 52.037 0.005 0.000 0.760 572 A CB -0.186 18.820 19.000 0.009 0.000 1.001 572 A HN 1.259 nan 8.150 nan 0.000 0.509 573 A N 1.517 124.446 122.820 0.182 0.000 3.711 573 A HA 0.745 5.065 4.320 0.001 0.000 0.185 573 A C 1.880 179.611 177.584 0.245 0.000 1.697 573 A CA 0.859 53.017 52.037 0.202 0.000 1.787 573 A CB -1.109 17.985 19.000 0.155 0.000 1.545 573 A HN 2.753 nan 8.150 nan 0.000 0.553 574 G N -0.168 108.732 108.800 0.168 0.000 2.665 574 G HA2 -0.317 3.643 3.960 0.001 0.000 0.326 574 G HA3 -0.317 3.643 3.960 0.001 0.000 0.326 574 G C -0.660 174.283 174.900 0.071 0.000 1.231 574 G CA 1.057 46.233 45.100 0.126 0.000 0.992 574 G HN 0.704 nan 8.290 nan 0.000 0.549 575 P HA -0.057 nan 4.420 nan 0.000 0.222 575 P C 1.244 178.370 177.300 -0.290 0.000 1.147 575 P CA 2.037 65.023 63.100 -0.190 0.000 0.790 575 P CB -0.204 31.323 31.700 -0.288 0.000 0.780 576 W N -0.159 121.149 121.300 0.013 0.000 2.800 576 W HA 0.139 4.799 4.660 0.000 0.000 0.249 576 W C 2.204 178.709 176.519 -0.023 0.000 1.294 576 W CA -0.098 57.287 57.345 0.065 0.000 1.402 576 W CB -0.793 28.739 29.460 0.119 0.000 1.126 576 W HN -0.156 nan 8.180 nan 0.000 0.652 577 L N 0.755 122.031 121.223 0.088 0.000 2.265 577 L HA -0.216 4.124 4.340 0.001 0.000 0.215 577 L C 2.588 179.409 176.870 -0.081 0.000 1.117 577 L CA 1.145 55.999 54.840 0.023 0.000 0.782 577 L CB -0.693 41.387 42.059 0.036 0.000 0.914 577 L HN 0.009 nan 8.230 nan 0.000 0.441 578 K N 0.532 120.775 120.400 -0.261 0.000 2.211 578 K HA -0.179 4.141 4.320 0.001 0.000 0.204 578 K C 1.019 177.331 176.600 -0.480 0.000 1.047 578 K CA 1.438 57.431 56.287 -0.491 0.000 0.935 578 K CB 0.052 32.045 32.500 -0.846 0.000 0.728 578 K HN 0.215 nan 8.250 nan 0.000 0.452 579 F N 0.259 120.244 119.950 0.057 0.000 2.684 579 F HA 0.262 4.789 4.527 0.001 0.000 0.298 579 F C 1.277 177.140 175.800 0.105 0.000 1.120 579 F CA -0.426 57.634 58.000 0.100 0.000 1.332 579 F CB 0.371 39.475 39.000 0.175 0.000 0.986 579 F HN -0.188 nan 8.300 nan 0.000 0.524 580 R N 0.219 120.798 120.500 0.132 0.000 2.285 580 R HA 0.021 4.361 4.340 0.001 0.000 0.213 580 R C 1.916 178.335 176.300 0.198 0.000 1.068 580 R CA 0.820 56.941 56.100 0.034 0.000 1.004 580 R CB -0.866 29.387 30.300 -0.079 0.000 0.873 580 R HN 0.380 nan 8.270 nan 0.000 0.467 581 G N -1.113 107.780 108.800 0.155 0.000 3.277 581 G HA2 -0.064 3.896 3.960 0.001 0.000 0.243 581 G HA3 -0.064 3.896 3.960 0.001 0.000 0.243 581 G C -0.121 174.823 174.900 0.073 0.000 1.107 581 G CA -0.131 45.013 45.100 0.074 0.000 0.771 581 G HN 0.182 nan 8.290 nan 0.000 0.544 582 H N 0.837 119.962 119.070 0.092 0.000 2.866 582 H HA 0.239 4.795 4.556 0.000 0.000 0.287 582 H C 0.575 175.907 175.328 0.006 0.000 1.106 582 H CA -0.742 55.330 56.048 0.040 0.000 1.396 582 H CB 1.548 31.368 29.762 0.098 0.000 1.469 582 H HN 0.026 nan 8.280 nan 0.000 0.500 583 L N 3.792 124.955 121.223 -0.100 0.000 2.083 583 L HA -0.094 4.247 4.340 0.001 0.000 0.209 583 L C 1.704 178.412 176.870 -0.271 0.000 1.083 583 L CA 2.064 56.793 54.840 -0.185 0.000 0.752 583 L CB -0.280 41.532 42.059 -0.411 0.000 0.899 583 L HN 0.570 nan 8.230 nan 0.000 0.433 584 D N -1.191 119.095 120.400 -0.190 0.000 2.149 584 D HA -0.149 4.491 4.640 0.001 0.000 0.201 584 D C 1.885 178.267 176.300 0.136 0.000 0.972 584 D CA 1.354 55.356 54.000 0.003 0.000 0.835 584 D CB -0.027 40.892 40.800 0.198 0.000 0.966 584 D HN 0.505 nan 8.370 nan 0.000 0.476 585 N N -0.408 118.365 118.700 0.122 0.000 2.216 585 N HA -0.029 4.711 4.740 0.001 0.000 0.183 585 N C 1.811 177.275 175.510 -0.077 0.000 1.017 585 N CA 0.288 53.194 53.050 -0.240 0.000 0.861 585 N CB 0.206 38.144 38.487 -0.915 0.000 0.986 585 N HN 0.190 nan 8.380 nan 0.000 0.428 586 I N 0.443 121.092 120.570 0.131 0.000 2.761 586 I HA -0.099 4.071 4.170 0.001 0.000 0.261 586 I C 1.222 177.393 176.117 0.090 0.000 1.198 586 I CA 0.689 62.157 61.300 0.280 0.000 1.482 586 I CB 0.126 38.332 38.000 0.344 0.000 1.100 586 I HN 0.034 nan 8.210 nan 0.000 0.445 587 S N 1.347 117.114 115.700 0.113 0.000 2.547 587 S HA -0.071 4.399 4.470 0.001 0.000 0.235 587 S C 1.358 175.992 174.600 0.056 0.000 0.980 587 S CA 0.583 58.864 58.200 0.136 0.000 0.941 587 S CB -0.424 62.977 63.200 0.335 0.000 0.763 587 S HN 0.526 nan 8.310 nan 0.000 0.532 588 N N 2.752 121.470 118.700 0.030 0.000 2.571 588 N HA -0.034 4.707 4.740 0.001 0.000 0.189 588 N C 0.988 176.331 175.510 -0.280 0.000 1.154 588 N CA 0.455 53.518 53.050 0.022 0.000 0.907 588 N CB -0.392 38.242 38.487 0.244 0.000 0.977 588 N HN 0.793 nan 8.380 nan 0.000 0.449 589 N N 0.080 118.328 118.700 -0.754 0.000 2.236 589 N HA -0.001 4.740 4.740 0.001 0.000 0.196 589 N C 0.172 175.457 175.510 -0.375 0.000 1.114 589 N CA -0.410 52.099 53.050 -0.902 0.000 0.859 589 N CB 0.185 37.632 38.487 -1.734 0.000 0.982 589 N HN -0.055 nan 8.380 nan 0.000 0.493 590 L N 2.304 123.420 121.223 -0.178 0.000 2.660 590 L HA -0.024 4.316 4.340 0.001 0.000 0.272 590 L C 0.638 177.490 176.870 -0.030 0.000 1.194 590 L CA 0.742 55.557 54.840 -0.042 0.000 0.945 590 L CB -0.395 41.701 42.059 0.062 0.000 1.212 590 L HN 0.308 nan 8.230 nan 0.000 0.490 591 L N 4.572 125.794 121.223 -0.001 0.000 4.179 591 L HA -0.311 4.029 4.340 0.001 0.000 0.418 591 L C 1.452 178.331 176.870 0.015 0.000 1.168 591 L CA 0.831 55.689 54.840 0.031 0.000 0.972 591 L CB -1.385 40.709 42.059 0.058 0.000 2.005 591 L HN 0.859 nan 8.230 nan 0.000 0.935 592 I N -4.165 116.392 120.570 -0.021 0.000 3.001 592 I HA 0.030 4.200 4.170 0.001 0.000 0.268 592 I C 1.905 178.043 176.117 0.036 0.000 1.267 592 I CA 1.501 62.802 61.300 0.003 0.000 1.472 592 I CB -0.351 37.646 38.000 -0.004 0.000 1.089 592 I HN 0.231 nan 8.210 nan 0.000 0.468 593 G N 0.929 109.757 108.800 0.046 0.000 2.887 593 G HA2 0.470 4.430 3.960 0.001 0.000 0.211 593 G HA3 0.470 4.430 3.960 0.001 0.000 0.211 593 G C 0.814 175.848 174.900 0.224 0.000 1.152 593 G CA 0.331 45.483 45.100 0.087 0.000 0.769 593 G HN 0.528 nan 8.290 nan 0.000 0.541 594 A N 0.720 123.640 122.820 0.166 0.000 2.445 594 A HA 0.516 4.836 4.320 0.001 0.000 0.242 594 A C -0.018 177.620 177.584 0.091 0.000 1.075 594 A CA -0.073 52.033 52.037 0.115 0.000 0.777 594 A CB 0.360 19.411 19.000 0.085 0.000 1.013 594 A HN 0.107 nan 8.150 nan 0.000 0.493 595 I N 2.493 123.098 120.570 0.057 0.000 2.342 595 I HA 0.113 4.283 4.170 0.001 0.000 0.291 595 I C 0.350 176.505 176.117 0.064 0.000 1.010 595 I CA -0.460 60.873 61.300 0.055 0.000 1.308 595 I CB 0.699 38.719 38.000 0.034 0.000 1.400 595 I HN 0.711 nan 8.210 nan 0.000 0.488 596 N N 3.880 122.622 118.700 0.071 0.000 2.470 596 N HA 0.008 4.748 4.740 0.001 0.000 0.268 596 N C 1.128 176.686 175.510 0.080 0.000 1.136 596 N CA 0.168 53.268 53.050 0.082 0.000 0.961 596 N CB 1.065 39.614 38.487 0.102 0.000 1.067 596 N HN 0.592 nan 8.380 nan 0.000 0.468 597 S N 2.674 118.422 115.700 0.080 0.000 2.399 597 S HA -0.187 4.283 4.470 0.001 0.000 0.231 597 S C 1.475 176.119 174.600 0.073 0.000 1.022 597 S CA 1.166 59.412 58.200 0.076 0.000 0.983 597 S CB -0.363 62.880 63.200 0.072 0.000 0.803 597 S HN 0.781 nan 8.310 nan 0.000 0.480 598 E N 2.857 123.112 120.200 0.091 0.000 2.118 598 E HA -0.228 4.122 4.350 0.001 0.000 0.195 598 E C 1.062 177.714 176.600 0.087 0.000 0.992 598 E CA 1.651 58.118 56.400 0.113 0.000 0.804 598 E CB -0.088 29.720 29.700 0.179 0.000 0.741 598 E HN 0.871 nan 8.360 nan 0.000 0.458 599 N N -1.520 117.223 118.700 0.070 0.000 2.116 599 N HA 0.093 4.833 4.740 0.001 0.000 0.230 599 N C -0.442 175.070 175.510 0.003 0.000 1.326 599 N CA 0.010 53.061 53.050 0.003 0.000 0.867 599 N CB 0.178 38.621 38.487 -0.074 0.000 1.174 599 N HN -0.016 nan 8.380 nan 0.000 0.506 600 R N -0.201 120.317 120.500 0.030 0.000 3.610 600 R HA -0.212 4.128 4.340 0.001 0.000 0.274 600 R C -0.883 175.430 176.300 0.022 0.000 1.123 600 R CA 1.040 57.156 56.100 0.027 0.000 0.747 600 R CB -1.605 28.704 30.300 0.016 0.000 1.149 600 R HN 0.456 nan 8.270 nan 0.000 0.471 601 K N -0.109 120.308 120.400 0.029 0.000 2.166 601 K HA 0.699 5.020 4.320 0.001 0.000 0.245 601 K C -0.146 176.484 176.600 0.050 0.000 0.967 601 K CA -0.340 55.964 56.287 0.029 0.000 0.863 601 K CB 1.694 34.204 32.500 0.016 0.000 1.107 601 K HN 0.141 nan 8.250 nan 0.000 0.436 602 A N 1.811 124.661 122.820 0.050 0.000 2.309 602 A HA 0.268 4.588 4.320 0.001 0.000 0.298 602 A C 0.245 177.864 177.584 0.057 0.000 1.165 602 A CA -0.161 51.912 52.037 0.061 0.000 0.821 602 A CB 0.107 19.145 19.000 0.064 0.000 1.102 602 A HN 0.898 nan 8.150 nan 0.000 0.500 603 N N -0.184 118.550 118.700 0.055 0.000 2.740 603 N HA -0.178 4.562 4.740 0.001 0.000 0.248 603 N C -0.498 175.047 175.510 0.058 0.000 1.062 603 N CA 1.392 54.470 53.050 0.046 0.000 0.704 603 N CB -1.061 37.455 38.487 0.047 0.000 0.968 603 N HN 0.817 nan 8.380 nan 0.000 0.547 604 S N -0.404 115.348 115.700 0.087 0.000 2.571 604 S HA 0.565 5.035 4.470 0.001 0.000 0.238 604 S C -0.662 174.090 174.600 0.254 0.000 1.153 604 S CA -0.048 58.246 58.200 0.158 0.000 1.141 604 S CB 0.159 63.441 63.200 0.136 0.000 1.133 604 S HN 0.608 nan 8.310 nan 0.000 0.464 605 V N 2.241 122.231 119.914 0.126 0.000 2.864 605 V HA 0.699 4.819 4.120 0.001 0.000 0.314 605 V C 0.051 175.920 176.094 -0.375 0.000 1.073 605 V CA -1.365 60.922 62.300 -0.022 0.000 0.956 605 V CB 1.677 33.452 31.823 -0.081 0.000 1.023 605 V HN 0.772 nan 8.190 nan 0.000 0.435 606 R N 3.024 123.059 120.500 -0.774 0.000 2.316 606 R HA 0.186 4.527 4.340 0.001 0.000 0.314 606 R C -0.071 175.976 176.300 -0.422 0.000 1.069 606 R CA -0.262 55.240 56.100 -0.996 0.000 0.959 606 R CB 0.339 29.984 30.300 -1.092 0.000 0.987 606 R HN 0.958 nan 8.270 nan 0.000 0.446 607 N N 3.363 121.844 118.700 -0.365 0.000 2.452 607 N HA -0.006 4.735 4.740 0.001 0.000 0.266 607 N C 0.397 175.834 175.510 -0.121 0.000 1.175 607 N CA 0.311 53.217 53.050 -0.241 0.000 0.945 607 N CB 1.571 39.830 38.487 -0.379 0.000 1.063 607 N HN 0.697 nan 8.380 nan 0.000 0.472 608 A N 3.641 126.501 122.820 0.066 0.000 2.067 608 A HA -0.046 4.274 4.320 0.001 0.000 0.219 608 A C 1.870 179.462 177.584 0.012 0.000 1.158 608 A CA 1.048 53.099 52.037 0.023 0.000 0.661 608 A CB -0.007 19.008 19.000 0.024 0.000 0.801 608 A HN 0.539 nan 8.150 nan 0.000 0.452 609 V N -0.366 119.570 119.914 0.037 0.000 2.374 609 V HA -0.111 4.009 4.120 0.001 0.000 0.241 609 V C 2.780 178.839 176.094 -0.059 0.000 1.034 609 V CA 2.148 64.459 62.300 0.017 0.000 1.037 609 V CB -0.906 30.994 31.823 0.129 0.000 0.682 609 V HN 0.749 nan 8.190 nan 0.000 0.463 610 T N -3.733 110.727 114.554 -0.157 0.000 3.057 610 T HA -0.034 4.316 4.350 0.001 0.000 0.254 610 T C 1.004 175.642 174.700 -0.105 0.000 1.094 610 T CA 0.262 62.276 62.100 -0.144 0.000 1.088 610 T CB 0.021 68.746 68.868 -0.238 0.000 0.934 610 T HN 0.365 nan 8.240 nan 0.000 0.497 611 Q N 0.443 120.173 119.800 -0.117 0.000 2.480 611 Q HA -0.122 4.219 4.340 0.001 0.000 0.265 611 Q C -0.845 175.118 176.000 -0.062 0.000 1.072 611 Q CA 0.897 56.645 55.803 -0.092 0.000 1.018 611 Q CB -1.530 27.186 28.738 -0.037 0.000 1.433 611 Q HN 0.661 nan 8.270 nan 0.000 0.513 612 E N -0.247 119.890 120.200 -0.105 0.000 2.191 612 E HA 0.443 4.794 4.350 0.001 0.000 0.278 612 E C -0.111 176.439 176.600 -0.083 0.000 0.972 612 E CA -0.626 55.753 56.400 -0.035 0.000 0.804 612 E CB 0.566 30.233 29.700 -0.055 0.000 1.110 612 E HN -0.015 nan 8.360 nan 0.000 0.394 613 F N 0.762 120.678 119.950 -0.056 0.000 2.399 613 F HA 0.526 5.053 4.527 0.001 0.000 0.342 613 F C 1.176 176.940 175.800 -0.059 0.000 1.106 613 F CA 0.522 58.490 58.000 -0.053 0.000 1.196 613 F CB 1.459 40.440 39.000 -0.032 0.000 1.163 613 F HN 0.447 nan 8.300 nan 0.000 0.547 614 G N 2.562 111.402 108.800 0.067 0.000 2.606 614 G HA2 0.515 4.476 3.960 0.001 0.000 0.300 614 G HA3 0.515 4.476 3.960 0.001 0.000 0.300 614 G C -3.309 171.589 174.900 -0.004 0.000 1.360 614 G CA -1.438 43.671 45.100 0.016 0.000 0.783 614 G HN 0.232 nan 8.290 nan 0.000 0.484 615 P HA 0.182 nan 4.420 nan 0.000 0.266 615 P C 1.182 178.445 177.300 -0.062 0.000 1.195 615 P CA -0.338 62.754 63.100 -0.013 0.000 0.768 615 P CB 1.193 32.898 31.700 0.007 0.000 0.838 616 V N 5.662 125.541 119.914 -0.059 0.000 2.295 616 V HA -0.158 3.962 4.120 0.001 0.000 0.246 616 V C -0.788 175.226 176.094 -0.133 0.000 1.049 616 V CA 2.266 64.498 62.300 -0.114 0.000 1.024 616 V CB -2.214 29.560 31.823 -0.082 0.000 0.648 616 V HN 0.642 nan 8.190 nan 0.000 0.447 617 P HA -0.125 nan 4.420 nan 0.000 0.216 617 P C 0.992 178.269 177.300 -0.038 0.000 1.153 617 P CA 1.604 64.683 63.100 -0.035 0.000 0.858 617 P CB -0.090 31.612 31.700 0.004 0.000 0.789 618 D N -1.621 118.752 120.400 -0.045 0.000 2.149 618 D HA -0.082 4.558 4.640 0.001 0.000 0.201 618 D C 1.847 178.089 176.300 -0.098 0.000 0.972 618 D CA 1.310 55.289 54.000 -0.035 0.000 0.835 618 D CB -1.194 39.591 40.800 -0.026 0.000 0.966 618 D HN 0.149 nan 8.370 nan 0.000 0.476 619 T N 0.550 114.975 114.554 -0.214 0.000 2.777 619 T HA -0.055 4.296 4.350 0.001 0.000 0.266 619 T C 2.049 176.415 174.700 -0.556 0.000 1.040 619 T CA 1.332 63.172 62.100 -0.432 0.000 1.141 619 T CB -0.257 68.326 68.868 -0.475 0.000 0.868 619 T HN 0.191 nan 8.240 nan 0.000 0.444 620 A N 1.905 124.487 122.820 -0.398 0.000 1.902 620 A HA -0.090 4.230 4.320 0.001 0.000 0.217 620 A C 2.381 179.977 177.584 0.020 0.000 1.181 620 A CA 1.207 53.070 52.037 -0.291 0.000 0.623 620 A CB -0.444 18.409 19.000 -0.245 0.000 0.818 620 A HN 0.387 nan 8.150 nan 0.000 0.443 621 R N -2.313 118.197 120.500 0.018 0.000 2.115 621 R HA -0.118 4.222 4.340 0.001 0.000 0.230 621 R C 2.100 178.451 176.300 0.084 0.000 1.111 621 R CA 1.503 57.639 56.100 0.060 0.000 0.976 621 R CB -0.448 29.882 30.300 0.049 0.000 0.870 621 R HN 0.715 nan 8.270 nan 0.000 0.445 622 Y N 0.288 120.560 120.300 -0.048 0.000 2.200 622 Y HA -0.261 4.289 4.550 0.000 0.000 0.290 622 Y C 1.761 177.803 175.900 0.237 0.000 1.137 622 Y CA 1.408 59.544 58.100 0.061 0.000 1.163 622 Y CB -0.181 38.240 38.460 -0.065 0.000 0.988 622 Y HN -0.044 nan 8.280 nan 0.000 0.518 623 Y N 0.825 121.312 120.300 0.312 0.000 2.181 623 Y HA -0.210 4.341 4.550 0.000 0.000 0.288 623 Y C 2.582 178.592 175.900 0.183 0.000 1.146 623 Y CA 1.394 59.649 58.100 0.258 0.000 1.164 623 Y CB -0.998 37.627 38.460 0.274 0.000 0.982 623 Y HN 0.156 nan 8.280 nan 0.000 0.515 624 K N 0.366 120.956 120.400 0.318 0.000 2.026 624 K HA -0.245 4.076 4.320 0.001 0.000 0.208 624 K C 2.238 178.846 176.600 0.013 0.000 1.048 624 K CA 1.527 57.909 56.287 0.158 0.000 0.929 624 K CB -0.202 32.359 32.500 0.102 0.000 0.713 624 K HN 0.360 nan 8.250 nan 0.000 0.439 625 Q N -0.259 119.493 119.800 -0.080 0.000 2.135 625 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 625 Q C 1.044 176.775 176.000 -0.448 0.000 0.981 625 Q CA 1.401 57.028 55.803 -0.293 0.000 0.856 625 Q CB 0.046 28.520 28.738 -0.440 0.000 0.902 625 Q HN 0.525 nan 8.270 nan 0.000 0.425 626 H N -1.731 117.253 119.070 -0.142 0.000 2.517 626 H HA 0.175 4.731 4.556 0.000 0.000 0.282 626 H C 0.838 176.150 175.328 -0.027 0.000 1.023 626 H CA 0.698 56.678 56.048 -0.114 0.000 1.169 626 H CB 0.790 30.440 29.762 -0.186 0.000 1.454 626 H HN 0.529 nan 8.280 nan 0.000 0.556 627 G N 1.636 110.472 108.800 0.060 0.000 2.147 627 G HA2 -0.272 3.689 3.960 0.001 0.000 0.244 627 G HA3 -0.272 3.689 3.960 0.001 0.000 0.244 627 G C 0.167 175.109 174.900 0.070 0.000 1.005 627 G CA -0.012 45.117 45.100 0.049 0.000 0.713 627 G HN 0.360 nan 8.290 nan 0.000 0.515 628 I N 0.927 121.572 120.570 0.126 0.000 2.297 628 I HA 0.338 4.508 4.170 0.001 0.000 0.291 628 I C 0.956 177.151 176.117 0.131 0.000 1.033 628 I CA -0.699 60.648 61.300 0.078 0.000 1.253 628 I CB 0.798 38.806 38.000 0.012 0.000 1.396 628 I HN 0.035 nan 8.210 nan 0.000 0.476 629 R N 7.315 127.844 120.500 0.049 0.000 2.340 629 R HA 0.353 4.694 4.340 0.001 0.000 0.300 629 R C -0.768 175.578 176.300 0.077 0.000 1.069 629 R CA -0.179 55.920 56.100 -0.001 0.000 0.984 629 R CB 1.007 31.279 30.300 -0.048 0.000 1.003 629 R HN 0.639 nan 8.270 nan 0.000 0.459 630 W N 1.136 122.432 121.300 -0.006 0.000 2.929 630 W HA 0.735 5.395 4.660 0.000 0.000 0.345 630 W C -1.572 174.955 176.519 0.013 0.000 1.151 630 W CA -1.119 56.222 57.345 -0.006 0.000 1.111 630 W CB 0.547 30.051 29.460 0.074 0.000 1.449 630 W HN 0.201 nan 8.180 nan 0.000 0.572 631 V N 1.436 121.641 119.914 0.486 0.000 2.962 631 V HA 0.521 4.641 4.120 0.001 0.000 0.313 631 V C -0.702 175.615 176.094 0.371 0.000 1.099 631 V CA -0.911 61.568 62.300 0.299 0.000 0.971 631 V CB 2.381 34.272 31.823 0.112 0.000 1.028 631 V HN 0.428 nan 8.190 nan 0.000 0.430 632 V N 5.216 125.291 119.914 0.270 0.000 2.513 632 V HA 0.540 4.660 4.120 0.001 0.000 0.299 632 V C -0.546 175.577 176.094 0.048 0.000 1.035 632 V CA -0.637 61.772 62.300 0.182 0.000 0.889 632 V CB 1.826 33.776 31.823 0.212 0.000 0.988 632 V HN 0.535 nan 8.190 nan 0.000 0.440 633 I N 3.969 124.567 120.570 0.046 0.000 2.339 633 I HA 0.660 4.831 4.170 0.001 0.000 0.290 633 I C 0.641 176.816 176.117 0.097 0.000 0.994 633 I CA 0.163 61.493 61.300 0.049 0.000 1.191 633 I CB 1.122 39.156 38.000 0.056 0.000 1.343 633 I HN 0.739 nan 8.210 nan 0.000 0.458 634 G N 4.442 113.276 108.800 0.056 0.000 3.042 634 G HA2 0.466 4.426 3.960 0.001 0.000 0.278 634 G HA3 0.466 4.426 3.960 0.001 0.000 0.278 634 G C -0.696 174.336 174.900 0.219 0.000 1.371 634 G CA -0.163 45.011 45.100 0.123 0.000 1.009 634 G HN 0.474 nan 8.290 nan 0.000 0.523 635 D N -1.031 119.429 120.400 0.101 0.000 2.384 635 D HA 0.247 4.888 4.640 0.001 0.000 0.257 635 D C -0.071 176.170 176.300 -0.098 0.000 1.226 635 D CA -0.295 53.627 54.000 -0.130 0.000 1.129 635 D CB 0.794 41.485 40.800 -0.181 0.000 1.197 635 D HN 0.262 nan 8.370 nan 0.000 0.571 636 E N 0.934 121.066 120.200 -0.113 0.000 2.343 636 E HA 0.080 4.431 4.350 0.001 0.000 0.269 636 E C -0.075 176.498 176.600 -0.046 0.000 1.047 636 E CA -0.154 56.199 56.400 -0.077 0.000 0.874 636 E CB 0.741 30.396 29.700 -0.075 0.000 1.033 636 E HN 0.432 nan 8.360 nan 0.000 0.409 637 N N 2.257 120.941 118.700 -0.027 0.000 2.727 637 N HA -0.275 4.465 4.740 0.001 0.000 0.249 637 N C -0.940 174.578 175.510 0.014 0.000 1.048 637 N CA 0.039 53.094 53.050 0.008 0.000 0.714 637 N CB -0.831 37.656 38.487 -0.001 0.000 0.959 637 N HN 0.453 nan 8.380 nan 0.000 0.544 638 Y N 0.283 120.505 120.300 -0.129 0.000 2.620 638 Y HA 0.245 4.795 4.550 0.001 0.000 0.330 638 Y C 1.500 177.438 175.900 0.063 0.000 1.186 638 Y CA 1.866 59.909 58.100 -0.095 0.000 1.467 638 Y CB 0.525 38.851 38.460 -0.222 0.000 1.262 638 Y HN 0.316 nan 8.280 nan 0.000 0.550 639 G N 3.800 112.314 108.800 -0.476 0.000 2.141 639 G HA2 -0.295 3.665 3.960 0.001 0.000 0.231 639 G HA3 -0.295 3.665 3.960 0.001 0.000 0.231 639 G C 0.120 174.948 174.900 -0.119 0.000 0.984 639 G CA 0.025 44.892 45.100 -0.389 0.000 0.660 639 G HN 0.827 nan 8.290 nan 0.000 0.525 640 E N 0.245 120.388 120.200 -0.096 0.000 2.568 640 E HA 0.377 4.727 4.350 0.001 0.000 0.262 640 E C 1.196 177.815 176.600 0.031 0.000 0.961 640 E CA 1.509 57.900 56.400 -0.015 0.000 0.945 640 E CB -0.049 29.611 29.700 -0.066 0.000 0.924 640 E HN 1.787 nan 8.360 nan 0.000 0.467 641 G N 2.835 111.717 108.800 0.136 0.000 2.384 641 G HA2 -0.230 3.730 3.960 0.001 0.000 0.200 641 G HA3 -0.230 3.730 3.960 0.001 0.000 0.200 641 G C -0.158 174.825 174.900 0.138 0.000 1.205 641 G CA -0.233 45.005 45.100 0.230 0.000 1.116 641 G HN 0.913 nan 8.290 nan 0.000 0.547 642 S N -0.026 115.769 115.700 0.158 0.000 2.558 642 S HA 0.357 4.827 4.470 0.001 0.000 0.287 642 S C 1.962 176.626 174.600 0.106 0.000 1.321 642 S CA 1.192 59.461 58.200 0.114 0.000 1.048 642 S CB 0.766 64.052 63.200 0.144 0.000 0.844 642 S HN 2.252 nan 8.310 nan 0.000 0.512 643 S N 3.565 119.321 115.700 0.094 0.000 2.555 643 S HA -0.070 4.400 4.470 0.001 0.000 0.230 643 S C 0.796 175.480 174.600 0.140 0.000 0.978 643 S CA 0.015 58.280 58.200 0.109 0.000 0.934 643 S CB -0.620 62.628 63.200 0.081 0.000 0.766 643 S HN 0.904 nan 8.310 nan 0.000 0.533 644 R N 2.207 122.800 120.500 0.155 0.000 2.614 644 R HA -0.056 4.284 4.340 0.001 0.000 0.335 644 R C 0.806 177.251 176.300 0.242 0.000 0.859 644 R CA 0.788 57.022 56.100 0.224 0.000 1.123 644 R CB -0.313 30.116 30.300 0.217 0.000 0.887 644 R HN 0.666 nan 8.270 nan 0.000 0.407 645 E N 2.473 122.784 120.200 0.184 0.000 2.409 645 E HA -0.209 4.141 4.350 0.001 0.000 0.198 645 E C 0.321 176.945 176.600 0.039 0.000 1.024 645 E CA 1.020 57.472 56.400 0.088 0.000 0.861 645 E CB -0.207 29.488 29.700 -0.008 0.000 0.788 645 E HN 0.807 nan 8.360 nan 0.000 0.521 646 H N 0.795 119.936 119.070 0.119 0.000 2.457 646 H HA -0.042 4.514 4.556 0.001 0.000 0.297 646 H C 2.083 177.499 175.328 0.146 0.000 1.092 646 H CA 1.788 57.908 56.048 0.120 0.000 1.309 646 H CB -0.079 29.746 29.762 0.104 0.000 1.382 646 H HN 0.018 nan 8.280 nan 0.000 0.535 647 R N -0.133 120.526 120.500 0.265 0.000 2.235 647 R HA 0.208 4.549 4.340 0.001 0.000 0.213 647 R C 2.286 178.813 176.300 0.377 0.000 1.059 647 R CA 0.743 57.007 56.100 0.273 0.000 0.997 647 R CB -0.604 29.822 30.300 0.210 0.000 0.884 647 R HN 0.565 nan 8.270 nan 0.000 0.462 648 A N -0.103 122.887 122.820 0.284 0.000 1.993 648 A HA 0.323 4.643 4.320 0.001 0.000 0.207 648 A C 2.071 179.715 177.584 0.101 0.000 1.224 648 A CA 0.213 52.348 52.037 0.164 0.000 0.749 648 A CB -0.010 19.009 19.000 0.032 0.000 0.884 648 A HN 0.319 nan 8.150 nan 0.000 0.467 649 L N -0.215 121.073 121.223 0.108 0.000 2.109 649 L HA -0.140 4.200 4.340 0.001 0.000 0.207 649 L C 2.478 179.475 176.870 0.212 0.000 1.086 649 L CA 1.365 56.293 54.840 0.147 0.000 0.760 649 L CB -0.413 41.707 42.059 0.103 0.000 0.910 649 L HN 0.439 nan 8.230 nan 0.000 0.437 650 E N 0.092 120.423 120.200 0.217 0.000 2.031 650 E HA -0.194 4.156 4.350 0.001 0.000 0.193 650 E C -0.684 176.109 176.600 0.322 0.000 0.994 650 E CA 1.374 57.945 56.400 0.284 0.000 0.800 650 E CB -0.958 28.881 29.700 0.233 0.000 0.752 650 E HN 0.445 nan 8.360 nan 0.000 0.447 651 P HA -0.164 nan 4.420 nan 0.000 0.218 651 P C 1.187 178.498 177.300 0.020 0.000 1.149 651 P CA 1.249 64.532 63.100 0.306 0.000 0.817 651 P CB 0.086 31.983 31.700 0.329 0.000 0.785 652 R N -0.434 120.027 120.500 -0.065 0.000 2.062 652 R HA -0.074 4.266 4.340 0.001 0.000 0.229 652 R C 2.188 178.394 176.300 -0.157 0.000 1.128 652 R CA 1.148 57.056 56.100 -0.319 0.000 0.960 652 R CB -1.789 28.084 30.300 -0.713 0.000 0.855 652 R HN 0.029 nan 8.270 nan 0.000 0.432 653 F N 0.519 120.459 119.950 -0.018 0.000 2.134 653 F HA -0.028 4.499 4.527 0.001 0.000 0.299 653 F C 1.180 177.072 175.800 0.153 0.000 1.097 653 F CA 1.376 59.490 58.000 0.191 0.000 1.264 653 F CB -0.042 39.113 39.000 0.258 0.000 1.001 653 F HN 0.012 nan 8.300 nan 0.000 0.479 654 L N -0.069 121.210 121.223 0.092 0.000 2.672 654 L HA 0.243 4.583 4.340 0.001 0.000 0.236 654 L C 1.393 178.437 176.870 0.289 0.000 1.186 654 L CA 0.593 55.520 54.840 0.145 0.000 0.977 654 L CB -0.978 41.306 42.059 0.375 0.000 1.203 654 L HN 0.488 nan 8.230 nan 0.000 0.448 655 G N -0.298 108.473 108.800 -0.048 0.000 2.141 655 G HA2 -0.206 3.754 3.960 0.001 0.000 0.231 655 G HA3 -0.206 3.754 3.960 0.001 0.000 0.231 655 G C 0.526 174.887 174.900 -0.898 0.000 0.984 655 G CA -0.238 44.721 45.100 -0.236 0.000 0.660 655 G HN 0.523 nan 8.290 nan 0.000 0.525 656 G N -1.057 106.911 108.800 -1.387 0.000 2.527 656 G HA2 0.539 4.499 3.960 0.001 0.000 0.248 656 G HA3 0.539 4.499 3.960 0.001 0.000 0.248 656 G C 0.579 175.015 174.900 -0.774 0.000 1.231 656 G CA 0.168 44.146 45.100 -1.869 0.000 0.838 656 G HN 0.311 nan 8.290 nan 0.000 0.570 657 R N 0.036 120.211 120.500 -0.541 0.000 2.350 657 R HA 0.511 4.852 4.340 0.001 0.000 0.199 657 R C 0.674 176.883 176.300 -0.152 0.000 0.876 657 R CA 0.939 56.884 56.100 -0.258 0.000 1.062 657 R CB 0.642 30.833 30.300 -0.182 0.000 1.263 657 R HN 0.761 nan 8.270 nan 0.000 0.641 658 A N 0.091 122.835 122.820 -0.127 0.000 2.606 658 A HA 0.651 4.971 4.320 0.001 0.000 0.293 658 A C -1.656 175.921 177.584 -0.012 0.000 1.082 658 A CA -0.625 51.368 52.037 -0.074 0.000 0.685 658 A CB 1.393 20.332 19.000 -0.102 0.000 1.284 658 A HN 0.015 nan 8.150 nan 0.000 0.408 659 I N 1.679 122.262 120.570 0.020 0.000 2.447 659 I HA 0.430 4.600 4.170 0.001 0.000 0.287 659 I C -0.964 175.174 176.117 0.035 0.000 1.023 659 I CA -0.165 61.159 61.300 0.041 0.000 1.083 659 I CB 1.192 39.267 38.000 0.125 0.000 1.245 659 I HN 0.516 nan 8.210 nan 0.000 0.434 660 I N 6.000 126.507 120.570 -0.106 0.000 2.389 660 I HA 0.446 4.616 4.170 0.001 0.000 0.288 660 I C 0.302 176.200 176.117 -0.365 0.000 0.999 660 I CA -0.169 60.977 61.300 -0.256 0.000 1.129 660 I CB 2.139 39.932 38.000 -0.344 0.000 1.288 660 I HN 0.673 nan 8.210 nan 0.000 0.444 661 T N 0.937 115.229 114.554 -0.436 0.000 2.804 661 T HA 0.458 4.808 4.350 0.001 0.000 0.290 661 T C 0.525 175.165 174.700 -0.100 0.000 1.099 661 T CA -0.860 61.049 62.100 -0.319 0.000 1.011 661 T CB 2.170 70.619 68.868 -0.699 0.000 1.291 661 T HN 0.444 nan 8.240 nan 0.000 0.523 662 K N 0.334 120.783 120.400 0.083 0.000 2.116 662 K HA 0.194 4.514 4.320 0.001 0.000 0.203 662 K C 0.794 177.384 176.600 -0.016 0.000 1.052 662 K CA 1.054 57.420 56.287 0.132 0.000 0.952 662 K CB -0.031 32.480 32.500 0.019 0.000 0.729 662 K HN 0.802 nan 8.250 nan 0.000 0.446 663 S N -0.982 114.631 115.700 -0.144 0.000 2.615 663 S HA 0.549 5.019 4.470 0.001 0.000 0.269 663 S C -1.257 173.184 174.600 -0.266 0.000 1.161 663 S CA -1.123 57.014 58.200 -0.104 0.000 0.817 663 S CB 0.934 64.135 63.200 0.002 0.000 1.131 663 S HN -0.024 nan 8.310 nan 0.000 0.467 664 F N 0.765 120.793 119.950 0.130 0.000 2.546 664 F HA 0.814 5.342 4.527 0.000 0.000 0.320 664 F C 0.759 176.645 175.800 0.143 0.000 1.076 664 F CA -0.400 57.711 58.000 0.184 0.000 0.928 664 F CB 2.007 41.114 39.000 0.177 0.000 1.189 664 F HN 1.012 nan 8.300 nan 0.000 0.465 665 A N 2.647 125.675 122.820 0.348 0.000 2.332 665 A HA 0.339 4.659 4.320 0.001 0.000 0.258 665 A C 1.559 179.300 177.584 0.261 0.000 1.087 665 A CA -0.358 51.822 52.037 0.238 0.000 0.802 665 A CB 0.465 19.573 19.000 0.180 0.000 1.042 665 A HN 0.996 nan 8.150 nan 0.000 0.489 666 R N 0.827 121.434 120.500 0.179 0.000 2.070 666 R HA -0.107 4.233 4.340 0.001 0.000 0.233 666 R C 1.491 177.878 176.300 0.145 0.000 1.137 666 R CA 2.048 58.236 56.100 0.146 0.000 0.945 666 R CB -0.380 29.987 30.300 0.113 0.000 0.845 666 R HN 0.826 nan 8.270 nan 0.000 0.430 667 I N -0.130 120.534 120.570 0.156 0.000 2.315 667 I HA -0.233 3.937 4.170 0.001 0.000 0.248 667 I C 2.402 178.621 176.117 0.170 0.000 1.117 667 I CA 1.295 62.687 61.300 0.154 0.000 1.404 667 I CB -0.416 37.669 38.000 0.143 0.000 1.071 667 I HN 0.329 nan 8.210 nan 0.000 0.419 668 H N 0.965 120.107 119.070 0.120 0.000 2.357 668 H HA -0.176 4.380 4.556 0.001 0.000 0.301 668 H C 2.141 177.519 175.328 0.083 0.000 1.082 668 H CA 1.889 58.018 56.048 0.134 0.000 1.342 668 H CB 0.048 29.930 29.762 0.200 0.000 1.389 668 H HN 0.297 nan 8.280 nan 0.000 0.511 669 E N -0.897 119.297 120.200 -0.011 0.000 2.110 669 E HA -0.155 4.195 4.350 0.001 0.000 0.193 669 E C 1.689 178.151 176.600 -0.230 0.000 0.988 669 E CA 1.608 57.830 56.400 -0.296 0.000 0.804 669 E CB 0.076 29.638 29.700 -0.230 0.000 0.745 669 E HN 0.501 nan 8.360 nan 0.000 0.458 670 T N 0.509 115.019 114.554 -0.073 0.000 2.777 670 T HA -0.097 4.253 4.350 0.001 0.000 0.266 670 T C 1.487 176.169 174.700 -0.029 0.000 1.040 670 T CA 1.426 63.516 62.100 -0.016 0.000 1.141 670 T CB -0.355 68.559 68.868 0.077 0.000 0.868 670 T HN 0.305 nan 8.240 nan 0.000 0.444 671 N N 0.773 119.444 118.700 -0.049 0.000 2.166 671 N HA 0.016 4.757 4.740 0.001 0.000 0.186 671 N C 1.783 177.227 175.510 -0.111 0.000 1.019 671 N CA 0.727 53.744 53.050 -0.056 0.000 0.856 671 N CB -0.261 38.227 38.487 0.002 0.000 0.993 671 N HN 0.269 nan 8.380 nan 0.000 0.426 672 L N 1.257 122.345 121.223 -0.224 0.000 2.046 672 L HA -0.163 4.178 4.340 0.001 0.000 0.208 672 L C 2.204 179.032 176.870 -0.070 0.000 1.077 672 L CA 1.280 56.004 54.840 -0.193 0.000 0.747 672 L CB -0.290 41.585 42.059 -0.306 0.000 0.896 672 L HN 0.118 nan 8.230 nan 0.000 0.432 673 K N -0.240 120.117 120.400 -0.071 0.000 2.057 673 K HA -0.162 4.158 4.320 0.001 0.000 0.207 673 K C 2.162 178.919 176.600 0.260 0.000 1.049 673 K CA 0.987 57.318 56.287 0.073 0.000 0.931 673 K CB -0.061 32.356 32.500 -0.138 0.000 0.714 673 K HN 0.082 nan 8.250 nan 0.000 0.440 674 K N 0.723 121.152 120.400 0.048 0.000 2.152 674 K HA -0.125 4.196 4.320 0.001 0.000 0.206 674 K C 1.656 178.184 176.600 -0.121 0.000 1.048 674 K CA 1.276 57.416 56.287 -0.245 0.000 0.933 674 K CB 0.047 32.372 32.500 -0.291 0.000 0.721 674 K HN 0.199 nan 8.250 nan 0.000 0.447 675 Q N -0.778 119.011 119.800 -0.019 0.000 2.246 675 Q HA 0.151 4.491 4.340 0.001 0.000 0.202 675 Q C 0.734 176.718 176.000 -0.027 0.000 0.883 675 Q CA 0.424 56.232 55.803 0.009 0.000 0.952 675 Q CB 0.755 29.477 28.738 -0.028 0.000 1.078 675 Q HN 0.474 nan 8.270 nan 0.000 0.493 676 G N 0.686 109.541 108.800 0.091 0.000 2.143 676 G HA2 -0.269 3.692 3.960 0.001 0.000 0.249 676 G HA3 -0.269 3.692 3.960 0.001 0.000 0.249 676 G C -0.005 174.990 174.900 0.158 0.000 0.981 676 G CA 0.151 45.332 45.100 0.135 0.000 0.665 676 G HN 0.296 nan 8.290 nan 0.000 0.528 677 L N -0.499 120.788 121.223 0.106 0.000 2.400 677 L HA 0.720 5.060 4.340 0.001 0.000 0.264 677 L C 0.862 177.821 176.870 0.148 0.000 1.061 677 L CA -1.081 53.801 54.840 0.070 0.000 0.799 677 L CB 1.188 43.226 42.059 -0.036 0.000 1.240 677 L HN 0.023 nan 8.230 nan 0.000 0.461 678 L N 3.570 124.810 121.223 0.028 0.000 2.283 678 L HA 0.359 4.699 4.340 0.001 0.000 0.281 678 L C -2.204 174.662 176.870 -0.007 0.000 1.033 678 L CA -1.641 53.182 54.840 -0.028 0.000 0.848 678 L CB 1.051 42.930 42.059 -0.301 0.000 1.226 678 L HN 0.271 nan 8.230 nan 0.000 0.429 679 P HA 0.248 nan 4.420 nan 0.000 0.281 679 P C -1.019 176.304 177.300 0.038 0.000 1.286 679 P CA -0.021 62.960 63.100 -0.198 0.000 0.772 679 P CB 0.969 32.199 31.700 -0.782 0.000 0.862 680 L N 3.399 124.731 121.223 0.182 0.000 2.381 680 L HA 0.610 4.951 4.340 0.001 0.000 0.268 680 L C 0.789 177.736 176.870 0.127 0.000 0.997 680 L CA -0.651 54.264 54.840 0.125 0.000 0.818 680 L CB 2.474 44.504 42.059 -0.048 0.000 1.310 680 L HN 0.309 nan 8.230 nan 0.000 0.416 681 T N -2.117 112.484 114.554 0.079 0.000 2.912 681 T HA 0.600 4.950 4.350 0.001 0.000 0.288 681 T C -0.320 174.328 174.700 -0.086 0.000 1.030 681 T CA -0.647 61.438 62.100 -0.025 0.000 1.020 681 T CB 1.146 70.081 68.868 0.112 0.000 1.056 681 T HN 0.094 nan 8.240 nan 0.000 0.480 682 F N 1.374 121.350 119.950 0.043 0.000 2.578 682 F HA 0.405 4.932 4.527 0.000 0.000 0.376 682 F C 1.755 177.571 175.800 0.027 0.000 1.085 682 F CA -0.386 57.633 58.000 0.032 0.000 1.260 682 F CB 0.133 39.151 39.000 0.031 0.000 1.095 682 F HN 0.884 nan 8.300 nan 0.000 0.573 683 A N 1.621 124.562 122.820 0.202 0.000 2.014 683 A HA -0.090 4.230 4.320 0.001 0.000 0.218 683 A C 0.671 178.322 177.584 0.111 0.000 1.163 683 A CA 1.339 53.446 52.037 0.118 0.000 0.652 683 A CB -0.323 18.724 19.000 0.079 0.000 0.808 683 A HN 0.638 nan 8.150 nan 0.000 0.449 684 D N -1.443 119.036 120.400 0.132 0.000 2.469 684 D HA 0.292 4.932 4.640 0.001 0.000 0.251 684 D C -2.111 174.210 176.300 0.036 0.000 1.173 684 D CA -2.253 51.785 54.000 0.065 0.000 0.882 684 D CB 1.612 42.429 40.800 0.029 0.000 1.129 684 D HN -0.044 nan 8.370 nan 0.000 0.549 685 P HA -0.140 nan 4.420 nan 0.000 0.222 685 P C 1.047 178.221 177.300 -0.209 0.000 1.142 685 P CA 0.668 63.727 63.100 -0.070 0.000 0.788 685 P CB 0.208 31.894 31.700 -0.023 0.000 0.767 686 A N 0.273 123.010 122.820 -0.138 0.000 2.067 686 A HA -0.156 4.164 4.320 0.001 0.000 0.219 686 A C 1.808 179.278 177.584 -0.191 0.000 1.158 686 A CA 1.472 53.433 52.037 -0.126 0.000 0.661 686 A CB -1.067 17.893 19.000 -0.066 0.000 0.801 686 A HN 0.056 nan 8.150 nan 0.000 0.452 687 D N -1.695 118.532 120.400 -0.289 0.000 2.351 687 D HA -0.134 4.507 4.640 0.001 0.000 0.216 687 D C 1.298 177.241 176.300 -0.594 0.000 0.968 687 D CA 0.790 54.590 54.000 -0.333 0.000 0.899 687 D CB -0.371 40.326 40.800 -0.171 0.000 0.907 687 D HN 0.706 nan 8.370 nan 0.000 0.514 688 Y N 1.618 121.294 120.300 -1.040 0.000 2.333 688 Y HA -0.171 4.379 4.550 0.001 0.000 0.290 688 Y C 1.470 177.158 175.900 -0.352 0.000 1.144 688 Y CA 1.273 58.889 58.100 -0.807 0.000 1.228 688 Y CB -0.039 38.066 38.460 -0.592 0.000 0.985 688 Y HN -0.062 nan 8.280 nan 0.000 0.542 689 N N 0.215 118.829 118.700 -0.143 0.000 2.467 689 N HA -0.055 4.685 4.740 0.001 0.000 0.184 689 N C 1.165 176.555 175.510 -0.201 0.000 1.106 689 N CA 0.675 53.648 53.050 -0.128 0.000 0.892 689 N CB -0.049 38.435 38.487 -0.006 0.000 0.969 689 N HN 0.468 nan 8.380 nan 0.000 0.454 690 K N 0.392 120.666 120.400 -0.210 0.000 2.365 690 K HA 0.183 4.504 4.320 0.001 0.000 0.197 690 K C 0.341 176.741 176.600 -0.333 0.000 1.042 690 K CA 0.440 56.635 56.287 -0.153 0.000 0.987 690 K CB 0.520 32.996 32.500 -0.040 0.000 0.779 690 K HN 0.108 nan 8.250 nan 0.000 0.484 691 I N 1.382 121.677 120.570 -0.458 0.000 2.339 691 I HA 0.150 4.320 4.170 0.001 0.000 0.290 691 I C -0.572 175.180 176.117 -0.609 0.000 0.994 691 I CA -0.747 60.305 61.300 -0.413 0.000 1.191 691 I CB 1.180 39.071 38.000 -0.182 0.000 1.343 691 I HN 0.055 nan 8.210 nan 0.000 0.458 692 H N 6.066 125.132 119.070 -0.007 0.000 2.533 692 H HA 0.289 4.845 4.556 0.000 0.000 0.343 692 H C -1.886 173.437 175.328 -0.008 0.000 1.160 692 H CA -1.863 54.178 56.048 -0.012 0.000 1.218 692 H CB 0.933 30.710 29.762 0.025 0.000 1.566 692 H HN 0.306 nan 8.280 nan 0.000 0.522 693 P HA -0.217 nan 4.420 nan 0.000 0.218 693 P C 1.334 178.663 177.300 0.048 0.000 1.146 693 P CA 0.906 64.036 63.100 0.050 0.000 0.820 693 P CB 0.342 32.072 31.700 0.051 0.000 0.778 694 V N -1.234 118.727 119.914 0.078 0.000 3.406 694 V HA -0.008 4.112 4.120 0.001 0.000 0.263 694 V C 0.383 176.513 176.094 0.059 0.000 1.172 694 V CA 0.709 63.042 62.300 0.056 0.000 1.140 694 V CB -0.674 31.183 31.823 0.057 0.000 0.784 694 V HN 0.013 nan 8.190 nan 0.000 0.467 695 D N 1.603 122.055 120.400 0.086 0.000 2.382 695 D HA 0.219 4.859 4.640 0.001 0.000 0.240 695 D C 0.023 176.322 176.300 -0.002 0.000 1.146 695 D CA 0.325 54.356 54.000 0.052 0.000 0.897 695 D CB 0.645 41.475 40.800 0.049 0.000 1.197 695 D HN 0.219 nan 8.370 nan 0.000 0.432 696 K N 1.155 121.539 120.400 -0.027 0.000 2.166 696 K HA 0.589 4.909 4.320 0.001 0.000 0.245 696 K C -0.261 176.310 176.600 -0.049 0.000 0.967 696 K CA -0.715 55.551 56.287 -0.035 0.000 0.863 696 K CB 1.730 34.209 32.500 -0.034 0.000 1.107 696 K HN 0.328 nan 8.250 nan 0.000 0.436 697 L N 0.848 122.046 121.223 -0.042 0.000 2.381 697 L HA 0.472 4.812 4.340 0.001 0.000 0.268 697 L C -0.326 176.518 176.870 -0.044 0.000 0.997 697 L CA -0.827 53.985 54.840 -0.047 0.000 0.818 697 L CB 2.325 44.360 42.059 -0.039 0.000 1.310 697 L HN 0.465 nan 8.230 nan 0.000 0.416 698 T N 3.507 118.033 114.554 -0.048 0.000 2.792 698 T HA 0.537 4.887 4.350 0.001 0.000 0.280 698 T C -0.313 174.353 174.700 -0.056 0.000 0.990 698 T CA -0.388 61.685 62.100 -0.044 0.000 0.960 698 T CB 1.439 70.285 68.868 -0.036 0.000 0.939 698 T HN 0.167 nan 8.240 nan 0.000 0.439 699 I N 3.835 124.363 120.570 -0.070 0.000 2.312 699 I HA 0.359 4.529 4.170 0.001 0.000 0.290 699 I C 0.438 176.497 176.117 -0.097 0.000 1.008 699 I CA -0.487 60.748 61.300 -0.107 0.000 1.226 699 I CB 1.018 38.920 38.000 -0.163 0.000 1.371 699 I HN 0.578 nan 8.210 nan 0.000 0.468 700 Q N 2.902 122.647 119.800 -0.091 0.000 2.297 700 Q HA 0.620 4.960 4.340 0.001 0.000 0.268 700 Q C 0.572 176.516 176.000 -0.093 0.000 1.045 700 Q CA -0.541 55.222 55.803 -0.067 0.000 0.861 700 Q CB 2.449 31.164 28.738 -0.039 0.000 1.344 700 Q HN 0.921 nan 8.270 nan 0.000 0.452 701 G N 0.684 109.449 108.800 -0.058 0.000 2.134 701 G HA2 -0.192 3.768 3.960 0.001 0.000 0.209 701 G HA3 -0.192 3.768 3.960 0.001 0.000 0.209 701 G C 0.276 175.114 174.900 -0.104 0.000 0.993 701 G CA -0.300 44.765 45.100 -0.057 0.000 0.669 701 G HN 0.445 nan 8.290 nan 0.000 0.519 702 L N -0.389 120.766 121.223 -0.113 0.000 2.291 702 L HA 0.139 4.479 4.340 0.001 0.000 0.214 702 L C 2.640 179.549 176.870 0.065 0.000 1.120 702 L CA 2.195 56.905 54.840 -0.217 0.000 0.799 702 L CB -0.769 41.195 42.059 -0.159 0.000 0.925 702 L HN 0.288 nan 8.230 nan 0.000 0.446 703 K N 0.643 121.170 120.400 0.212 0.000 2.148 703 K HA -0.120 4.200 4.320 0.001 0.000 0.204 703 K C 0.416 177.119 176.600 0.171 0.000 1.050 703 K CA 1.105 57.560 56.287 0.280 0.000 0.942 703 K CB -0.206 32.404 32.500 0.182 0.000 0.724 703 K HN 0.475 nan 8.250 nan 0.000 0.446 704 D N -0.862 119.600 120.400 0.104 0.000 2.980 704 D HA 0.028 4.668 4.640 0.001 0.000 0.333 704 D C -0.604 175.750 176.300 0.091 0.000 1.356 704 D CA -0.617 53.433 54.000 0.083 0.000 0.847 704 D CB -0.264 40.570 40.800 0.056 0.000 1.122 704 D HN -0.151 nan 8.370 nan 0.000 0.475 705 F N 2.471 122.339 119.950 -0.136 0.000 2.602 705 F HA 0.393 4.920 4.527 0.000 0.000 0.385 705 F C 0.031 175.724 175.800 -0.179 0.000 1.063 705 F CA -1.118 56.725 58.000 -0.261 0.000 1.233 705 F CB -0.043 38.683 39.000 -0.456 0.000 1.067 705 F HN 0.285 nan 8.300 nan 0.000 0.564 706 A N 7.383 130.216 122.820 0.022 0.000 2.574 706 A HA 0.663 4.984 4.320 0.001 0.000 0.297 706 A C -2.934 174.686 177.584 0.060 0.000 1.062 706 A CA -1.759 50.244 52.037 -0.057 0.000 0.686 706 A CB 1.400 20.404 19.000 0.007 0.000 1.285 706 A HN 0.465 nan 8.150 nan 0.000 0.403 707 P HA 0.268 nan 4.420 nan 0.000 0.262 707 P C 1.151 178.475 177.300 0.040 0.000 1.182 707 P CA 2.274 65.411 63.100 0.063 0.000 0.761 707 P CB 0.569 32.264 31.700 -0.007 0.000 0.795 708 G N 1.961 110.744 108.800 -0.028 0.000 2.212 708 G HA2 -0.293 3.667 3.960 0.001 0.000 0.266 708 G HA3 -0.293 3.667 3.960 0.001 0.000 0.266 708 G C 0.247 175.119 174.900 -0.046 0.000 0.978 708 G CA 0.095 45.151 45.100 -0.073 0.000 0.632 708 G HN 0.689 nan 8.290 nan 0.000 0.537 709 K N 1.867 122.295 120.400 0.047 0.000 2.234 709 K HA 0.459 4.779 4.320 0.001 0.000 0.277 709 K C -2.132 174.552 176.600 0.140 0.000 1.038 709 K CA -1.975 54.360 56.287 0.081 0.000 0.888 709 K CB 1.854 34.414 32.500 0.101 0.000 1.091 709 K HN 0.131 nan 8.250 nan 0.000 0.467 710 P HA 0.070 nan 4.420 nan 0.000 0.272 710 P C -0.601 176.746 177.300 0.078 0.000 1.230 710 P CA -0.188 62.960 63.100 0.081 0.000 0.788 710 P CB 0.848 32.566 31.700 0.030 0.000 0.949 711 L N 1.101 122.351 121.223 0.044 0.000 2.334 711 L HA 0.418 4.758 4.340 0.001 0.000 0.275 711 L C 1.155 178.000 176.870 -0.043 0.000 1.036 711 L CA -0.650 54.158 54.840 -0.054 0.000 0.807 711 L CB 1.574 43.525 42.059 -0.179 0.000 1.231 711 L HN 0.429 nan 8.230 nan 0.000 0.438 712 T N -1.469 113.055 114.554 -0.050 0.000 2.875 712 T HA 0.398 4.748 4.350 0.001 0.000 0.284 712 T C -0.482 174.190 174.700 -0.047 0.000 0.995 712 T CA -0.708 61.373 62.100 -0.031 0.000 1.060 712 T CB 1.522 70.378 68.868 -0.021 0.000 0.967 712 T HN 0.636 nan 8.240 nan 0.000 0.476 713 C N 4.363 123.645 119.300 -0.030 0.000 2.364 713 C HA 0.696 5.156 4.460 0.001 0.000 0.324 713 C C -0.612 174.362 174.990 -0.027 0.000 1.234 713 C CA -0.992 58.004 59.018 -0.037 0.000 1.417 713 C CB -1.198 26.526 27.740 -0.028 0.000 2.101 713 C HN 0.925 nan 8.230 nan 0.000 0.466 714 I N 7.352 127.899 120.570 -0.039 0.000 2.301 714 I HA 0.352 4.522 4.170 0.001 0.000 0.292 714 I C 0.306 176.380 176.117 -0.073 0.000 1.046 714 I CA 0.258 61.531 61.300 -0.046 0.000 1.282 714 I CB 0.885 38.861 38.000 -0.040 0.000 1.409 714 I HN 0.514 nan 8.210 nan 0.000 0.484 715 I N 7.112 127.619 120.570 -0.106 0.000 2.337 715 I HA 0.166 4.337 4.170 0.001 0.000 0.291 715 I C 0.288 176.242 176.117 -0.272 0.000 1.046 715 I CA -0.370 60.815 61.300 -0.192 0.000 1.324 715 I CB 0.181 38.037 38.000 -0.240 0.000 1.409 715 I HN 0.435 nan 8.210 nan 0.000 0.494 716 K N 6.252 126.531 120.400 -0.202 0.000 2.266 716 K HA 0.301 4.621 4.320 0.001 0.000 0.274 716 K C -0.422 176.106 176.600 -0.120 0.000 1.090 716 K CA -0.582 55.620 56.287 -0.140 0.000 0.925 716 K CB 0.352 32.814 32.500 -0.064 0.000 1.225 716 K HN 0.440 nan 8.250 nan 0.000 0.458 717 H N 2.075 121.162 119.070 0.029 0.000 2.615 717 H HA 0.026 4.582 4.556 0.000 0.000 0.363 717 H C -1.661 173.677 175.328 0.018 0.000 1.148 717 H CA -2.033 54.037 56.048 0.036 0.000 1.401 717 H CB 0.780 30.567 29.762 0.041 0.000 1.461 717 H HN 0.372 nan 8.280 nan 0.000 0.588 718 P HA -0.133 nan 4.420 nan 0.000 0.217 718 P C 0.989 178.320 177.300 0.051 0.000 1.150 718 P CA 1.179 64.320 63.100 0.069 0.000 0.832 718 P CB 0.229 31.958 31.700 0.048 0.000 0.787 719 N N -0.659 118.072 118.700 0.052 0.000 2.609 719 N HA -0.015 4.725 4.740 0.001 0.000 0.190 719 N C 1.302 176.836 175.510 0.040 0.000 1.157 719 N CA 1.267 54.335 53.050 0.029 0.000 0.918 719 N CB -1.243 37.247 38.487 0.005 0.000 0.978 719 N HN 0.263 nan 8.380 nan 0.000 0.448 720 G N -1.544 107.291 108.800 0.059 0.000 2.213 720 G HA2 -0.277 3.684 3.960 0.001 0.000 0.236 720 G HA3 -0.277 3.684 3.960 0.001 0.000 0.236 720 G C 0.133 175.074 174.900 0.069 0.000 0.991 720 G CA 0.312 45.441 45.100 0.049 0.000 0.629 720 G HN 0.518 nan 8.290 nan 0.000 0.517 721 T N 1.945 116.566 114.554 0.112 0.000 2.930 721 T HA 0.499 4.849 4.350 0.001 0.000 0.306 721 T C 0.186 174.991 174.700 0.176 0.000 1.045 721 T CA 0.399 62.592 62.100 0.155 0.000 1.134 721 T CB 1.426 70.424 68.868 0.217 0.000 0.961 721 T HN 0.496 nan 8.240 nan 0.000 0.545 722 Q N 1.250 121.113 119.800 0.105 0.000 2.377 722 Q HA 0.478 4.819 4.340 0.001 0.000 0.271 722 Q C -0.708 175.315 176.000 0.039 0.000 1.077 722 Q CA -0.815 55.000 55.803 0.019 0.000 0.820 722 Q CB 2.426 31.164 28.738 -0.000 0.000 1.347 722 Q HN 0.637 nan 8.270 nan 0.000 0.444 723 E N 1.101 121.290 120.200 -0.019 0.000 2.256 723 E HA 0.360 4.711 4.350 0.001 0.000 0.268 723 E C -1.251 175.345 176.600 -0.007 0.000 0.877 723 E CA -0.515 55.900 56.400 0.024 0.000 0.757 723 E CB 2.333 32.075 29.700 0.069 0.000 1.183 723 E HN 0.352 nan 8.360 nan 0.000 0.418 724 T N 3.284 117.843 114.554 0.008 0.000 2.829 724 T HA 0.580 4.931 4.350 0.001 0.000 0.282 724 T C 0.117 174.829 174.700 0.020 0.000 0.990 724 T CA -0.452 61.651 62.100 0.005 0.000 1.028 724 T CB 0.304 69.175 68.868 0.005 0.000 0.951 724 T HN 0.430 nan 8.240 nan 0.000 0.460 725 I N -0.005 120.582 120.570 0.028 0.000 3.145 725 I HA 0.716 4.886 4.170 0.001 0.000 0.313 725 I C -1.543 174.603 176.117 0.049 0.000 1.122 725 I CA -1.522 59.810 61.300 0.053 0.000 0.987 725 I CB 1.841 39.898 38.000 0.096 0.000 1.236 725 I HN 0.397 nan 8.210 nan 0.000 0.453 726 L N 3.384 124.645 121.223 0.063 0.000 2.334 726 L HA 0.618 4.958 4.340 0.001 0.000 0.276 726 L C -0.976 175.930 176.870 0.060 0.000 1.014 726 L CA -0.786 54.082 54.840 0.046 0.000 0.815 726 L CB 2.045 44.127 42.059 0.040 0.000 1.268 726 L HN 0.485 nan 8.230 nan 0.000 0.428 727 L N 2.915 124.154 121.223 0.026 0.000 2.362 727 L HA 0.488 4.828 4.340 0.001 0.000 0.275 727 L C -0.502 176.393 176.870 0.042 0.000 0.998 727 L CA -0.736 54.109 54.840 0.009 0.000 0.820 727 L CB 1.929 43.954 42.059 -0.058 0.000 1.270 727 L HN 0.571 nan 8.230 nan 0.000 0.415 728 N N 0.989 119.716 118.700 0.044 0.000 2.476 728 N HA 0.509 5.249 4.740 0.001 0.000 0.275 728 N C -0.827 174.745 175.510 0.103 0.000 1.190 728 N CA -0.469 52.595 53.050 0.022 0.000 0.977 728 N CB 1.401 39.888 38.487 -0.001 0.000 1.200 728 N HN 0.646 nan 8.380 nan 0.000 0.515 729 H N -4.148 114.988 119.070 0.110 0.000 3.008 729 H HA 0.465 5.021 4.556 0.001 0.000 0.354 729 H C -0.371 175.073 175.328 0.193 0.000 1.252 729 H CA -0.885 55.280 56.048 0.195 0.000 1.117 729 H CB 0.756 30.699 29.762 0.300 0.000 1.857 729 H HN 0.383 nan 8.280 nan 0.000 0.547 730 T N -0.958 113.765 114.554 0.281 0.000 3.248 730 T HA 0.300 4.650 4.350 0.001 0.000 0.271 730 T C -0.584 174.252 174.700 0.226 0.000 1.005 730 T CA -0.469 61.734 62.100 0.171 0.000 0.902 730 T CB -1.013 67.923 68.868 0.114 0.000 1.102 730 T HN 0.268 nan 8.240 nan 0.000 0.548 731 F N 4.368 124.434 119.950 0.193 0.000 2.495 731 F HA 0.394 4.922 4.527 0.001 0.000 0.365 731 F C 1.106 176.813 175.800 -0.155 0.000 1.090 731 F CA -0.920 57.024 58.000 -0.094 0.000 1.235 731 F CB 0.512 39.323 39.000 -0.314 0.000 1.119 731 F HN 0.353 nan 8.300 nan 0.000 0.562 732 N N 1.367 119.954 118.700 -0.189 0.000 2.593 732 N HA 0.140 4.880 4.740 0.001 0.000 0.304 732 N C 0.632 175.978 175.510 -0.273 0.000 1.296 732 N CA -0.400 52.539 53.050 -0.185 0.000 0.950 732 N CB 0.281 38.627 38.487 -0.235 0.000 1.127 732 N HN 0.414 nan 8.380 nan 0.000 0.587 733 E N -0.530 119.528 120.200 -0.238 0.000 2.158 733 E HA -0.034 4.317 4.350 0.001 0.000 0.191 733 E C 1.326 177.750 176.600 -0.293 0.000 0.982 733 E CA 0.953 57.210 56.400 -0.238 0.000 0.823 733 E CB -0.541 29.066 29.700 -0.156 0.000 0.766 733 E HN 0.685 nan 8.360 nan 0.000 0.468 734 T N 1.413 115.751 114.554 -0.361 0.000 2.684 734 T HA -0.175 4.176 4.350 0.001 0.000 0.267 734 T C 1.877 176.071 174.700 -0.845 0.000 1.036 734 T CA 1.360 63.187 62.100 -0.456 0.000 1.148 734 T CB -0.092 68.515 68.868 -0.435 0.000 0.863 734 T HN 0.240 nan 8.240 nan 0.000 0.436 735 Q N -0.032 119.167 119.800 -1.001 0.000 2.172 735 Q HA 0.120 4.461 4.340 0.001 0.000 0.200 735 Q C 2.320 178.127 176.000 -0.321 0.000 0.964 735 Q CA 0.838 55.913 55.803 -1.213 0.000 0.855 735 Q CB -0.237 27.857 28.738 -1.074 0.000 0.918 735 Q HN 0.507 nan 8.270 nan 0.000 0.444 736 I N 0.872 121.301 120.570 -0.236 0.000 2.361 736 I HA -0.237 3.933 4.170 0.001 0.000 0.251 736 I C 2.068 178.164 176.117 -0.034 0.000 1.133 736 I CA 0.785 61.940 61.300 -0.242 0.000 1.413 736 I CB -0.101 37.557 38.000 -0.570 0.000 1.073 736 I HN 0.167 nan 8.210 nan 0.000 0.424 737 E N 0.246 120.395 120.200 -0.085 0.000 2.110 737 E HA -0.211 4.140 4.350 0.001 0.000 0.193 737 E C 1.955 178.681 176.600 0.210 0.000 0.988 737 E CA 1.184 57.609 56.400 0.041 0.000 0.804 737 E CB -0.233 29.474 29.700 0.011 0.000 0.745 737 E HN 0.508 nan 8.360 nan 0.000 0.458 738 W N 0.554 121.902 121.300 0.081 0.000 2.333 738 W HA -0.172 4.488 4.660 0.000 0.000 0.316 738 W C 2.288 178.884 176.519 0.127 0.000 1.215 738 W CA 0.368 57.767 57.345 0.091 0.000 1.278 738 W CB -1.715 27.797 29.460 0.087 0.000 1.154 738 W HN 0.091 nan 8.180 nan 0.000 0.486 739 F N 1.621 121.760 119.950 0.314 0.000 2.069 739 F HA -0.242 4.286 4.527 0.000 0.000 0.298 739 F C 2.485 178.337 175.800 0.086 0.000 1.113 739 F CA 2.238 60.332 58.000 0.158 0.000 1.214 739 F CB -0.634 38.409 39.000 0.070 0.000 0.978 739 F HN -0.227 nan 8.300 nan 0.000 0.474 740 R N 0.102 120.569 120.500 -0.056 0.000 2.105 740 R HA -0.114 4.226 4.340 0.001 0.000 0.239 740 R C 2.281 178.599 176.300 0.031 0.000 1.135 740 R CA 1.270 57.365 56.100 -0.009 0.000 0.967 740 R CB -0.879 29.529 30.300 0.181 0.000 0.861 740 R HN 0.407 nan 8.270 nan 0.000 0.442 741 A N -0.352 122.506 122.820 0.064 0.000 2.206 741 A HA 0.168 4.489 4.320 0.001 0.000 0.211 741 A C 1.592 179.204 177.584 0.046 0.000 1.158 741 A CA 1.108 53.187 52.037 0.069 0.000 0.761 741 A CB -0.050 19.012 19.000 0.103 0.000 0.801 741 A HN 0.504 nan 8.150 nan 0.000 0.473 742 G N -1.515 107.289 108.800 0.006 0.000 2.254 742 G HA2 -0.101 3.860 3.960 0.001 0.000 0.225 742 G HA3 -0.101 3.860 3.960 0.001 0.000 0.225 742 G C 0.379 175.342 174.900 0.104 0.000 1.003 742 G CA 0.560 45.677 45.100 0.029 0.000 0.622 742 G HN 2.185 nan 8.290 nan 0.000 0.507 743 S N -2.022 113.749 115.700 0.120 0.000 2.645 743 S HA 0.776 5.246 4.470 0.001 0.000 0.268 743 S C 0.837 175.447 174.600 0.018 0.000 1.110 743 S CA 0.633 58.898 58.200 0.109 0.000 0.823 743 S CB 0.793 64.100 63.200 0.179 0.000 1.091 743 S HN 1.820 nan 8.310 nan 0.000 0.466 744 A N 0.449 123.135 122.820 -0.223 0.000 1.930 744 A HA 0.102 4.422 4.320 0.001 0.000 0.217 744 A C 2.012 179.442 177.584 -0.256 0.000 1.175 744 A CA 1.729 53.434 52.037 -0.553 0.000 0.627 744 A CB -0.946 17.278 19.000 -1.293 0.000 0.815 744 A HN 1.196 nan 8.150 nan 0.000 0.443 745 L N 0.437 121.553 121.223 -0.178 0.000 2.083 745 L HA -0.166 4.174 4.340 0.001 0.000 0.209 745 L C 1.746 178.577 176.870 -0.065 0.000 1.083 745 L CA 2.112 56.883 54.840 -0.115 0.000 0.752 745 L CB -0.728 41.270 42.059 -0.102 0.000 0.899 745 L HN 0.324 nan 8.230 nan 0.000 0.433 746 N N -0.658 118.025 118.700 -0.027 0.000 2.188 746 N HA -0.146 4.594 4.740 0.001 0.000 0.184 746 N C 1.962 177.483 175.510 0.018 0.000 1.018 746 N CA 0.666 53.715 53.050 -0.001 0.000 0.858 746 N CB -0.378 38.127 38.487 0.030 0.000 0.989 746 N HN 0.222 nan 8.380 nan 0.000 0.426 747 R N 1.181 121.709 120.500 0.046 0.000 2.075 747 R HA 0.042 4.383 4.340 0.001 0.000 0.232 747 R C 1.993 178.327 176.300 0.056 0.000 1.126 747 R CA 0.863 57.016 56.100 0.088 0.000 0.963 747 R CB -0.697 29.720 30.300 0.195 0.000 0.858 747 R HN 0.308 nan 8.270 nan 0.000 0.435 748 M N 0.538 120.151 119.600 0.022 0.000 2.086 748 M HA -0.168 4.313 4.480 0.001 0.000 0.261 748 M C 1.706 177.997 176.300 -0.014 0.000 1.067 748 M CA 1.754 57.057 55.300 0.004 0.000 1.116 748 M CB -0.093 32.489 32.600 -0.031 0.000 1.348 748 M HN -0.030 nan 8.290 nan 0.000 0.407 749 K N 0.033 120.415 120.400 -0.030 0.000 2.283 749 K HA -0.143 4.177 4.320 0.001 0.000 0.202 749 K C 1.648 178.239 176.600 -0.015 0.000 1.048 749 K CA 1.280 57.546 56.287 -0.036 0.000 0.948 749 K CB -0.102 32.370 32.500 -0.047 0.000 0.742 749 K HN 0.566 nan 8.250 nan 0.000 0.458 750 E N 0.898 121.100 120.200 0.003 0.000 2.106 750 E HA -0.110 4.241 4.350 0.001 0.000 0.192 750 E C 1.826 178.433 176.600 0.011 0.000 0.984 750 E CA 0.713 57.119 56.400 0.010 0.000 0.806 750 E CB -0.027 29.688 29.700 0.025 0.000 0.750 750 E HN 0.199 nan 8.360 nan 0.000 0.458 751 L N 0.931 122.164 121.223 0.017 0.000 2.456 751 L HA -0.151 4.189 4.340 0.001 0.000 0.224 751 L C 1.013 177.887 176.870 0.007 0.000 1.148 751 L CA 0.681 55.532 54.840 0.017 0.000 0.825 751 L CB -0.143 41.932 42.059 0.028 0.000 0.937 751 L HN 0.059 nan 8.230 nan 0.000 0.450 752 Q N 1.154 120.952 119.800 -0.004 0.000 2.938 752 Q HA -0.012 4.328 4.340 0.001 0.000 0.343 752 Q C 0.508 176.503 176.000 -0.008 0.000 1.185 752 Q CA -0.159 55.638 55.803 -0.011 0.000 0.939 752 Q CB -0.092 28.631 28.738 -0.026 0.000 1.480 752 Q HN 0.320 nan 8.270 nan 0.000 0.442 753 Q N -0.657 119.142 119.800 -0.002 0.000 2.308 753 Q HA -0.338 4.002 4.340 0.001 0.000 0.229 753 Q C -0.802 175.197 176.000 -0.003 0.000 0.902 753 Q CA 1.909 57.712 55.803 -0.001 0.000 1.244 753 Q CB -1.601 27.136 28.738 -0.000 0.000 1.810 753 Q HN 0.452 nan 8.270 nan 0.000 0.559 754 K N 0.000 120.397 120.400 -0.006 0.000 2.780 754 K HA 0.000 4.320 4.320 0.001 0.000 0.191 754 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 754 K CB 0.000 32.494 32.500 -0.011 0.000 1.064 754 K HN 0.000 nan 8.250 nan 0.000 0.543