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 1ldj_1_A DATA FIRST_RESID 17 DATA SEQUENCE LDQIWDDLRA GIQQVYTRQS MAKSRYMELY THVYNYCTSX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVGL ELYKRLKEFL KNYLTNLLKD GEDLMDESVL DATA SEQUENCE KFYTQQWEDY RFSSKVLNGI CAYLNRHWVR RECXXXXXXX YEIYSLALVT DATA SEQUENCE WRDCLFRPLN KQVTNAVLKL IEKERNGETI NTRLISGVVQ SYVELGLNED DATA SEQUENCE DAFAKGPTLT VYKESFESQF LADTERFYTR ESTEFLQQNP VTEYMKKAEA DATA SEQUENCE RLLEEQRRVQ VYLHESTQDE LARKCEQVLI EKHLEIFHTE FQNLLDADKN DATA SEQUENCE EDLGRMYNLV SRIQDGLGEL KKLLETHIHN QGLAAIEKCG EAALNDPKMY DATA SEQUENCE VQTVLDVHKK YNALVMSAFN NDAGFVAALD KACGRFINNN AVTKMAQSSS DATA SEQUENCE KSPELLARYC DSLLKKSSKN PEEAELEDTL NQVMVVFKYI EDKDVFQKFY DATA SEQUENCE AKMLAKRLVH QNSASDDAEA SMISKLKQAC GFEYTSKLQR MFQDIGVSKD DATA SEQUENCE LNEQFKKHLT NSEPLDLDFS IQVLSSGSWP FQQSCTFALP SELERSYQRF DATA SEQUENCE TAFYASRHSG RKLTWLYQLS KGELVTNCFK NRYTLQASTF QMAILLQYNT DATA SEQUENCE EDAYTVQQLT DSTQIKMDIL AQVLQILLKS KLLVLEDENA NVDEVELKPD DATA SEQUENCE TLIKLYLGYK NKKLRVNINV PMKTEQKQEQ ETTHKNIEED RKLLIQAAIV DATA SEQUENCE RIMKMRKVLK HQQLLGEVLT QLSSRFKPRV PVIKKCIDIL IEKEYLERVD DATA SEQUENCE GEKDTYSYLA 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 17 L HA 0.000 nan 4.340 nan 0.000 0.249 17 L C 0.000 176.720 176.870 -0.249 0.000 1.165 17 L CA 0.000 54.696 54.840 -0.239 0.000 0.813 17 L CB 0.000 42.000 42.059 -0.098 0.000 0.961 18 D N -0.067 120.299 120.400 -0.056 0.000 2.133 18 D HA -0.201 4.440 4.640 0.001 0.000 0.192 18 D C 1.826 178.111 176.300 -0.025 0.000 1.001 18 D CA 2.473 56.489 54.000 0.027 0.000 0.844 18 D CB -0.203 40.622 40.800 0.041 0.000 0.944 18 D HN 0.574 nan 8.370 nan 0.000 0.447 19 Q N 0.067 119.826 119.800 -0.069 0.000 2.084 19 Q HA -0.254 4.087 4.340 0.001 0.000 0.215 19 Q C 2.303 178.207 176.000 -0.159 0.000 1.020 19 Q CA 1.494 57.240 55.803 -0.096 0.000 0.887 19 Q CB -0.472 28.216 28.738 -0.083 0.000 0.975 19 Q HN 0.422 nan 8.270 nan 0.000 0.413 20 I N -0.791 119.588 120.570 -0.318 0.000 2.617 20 I HA -0.158 4.012 4.170 0.001 0.000 0.256 20 I C 2.056 178.040 176.117 -0.222 0.000 1.167 20 I CA 0.362 61.425 61.300 -0.395 0.000 1.469 20 I CB -0.280 37.406 38.000 -0.523 0.000 1.098 20 I HN 0.420 nan 8.210 nan 0.000 0.436 21 W N 1.957 123.076 121.300 -0.301 0.000 2.387 21 W HA -0.277 4.384 4.660 0.001 0.000 0.272 21 W C 1.961 178.438 176.519 -0.071 0.000 1.224 21 W CA 0.853 58.185 57.345 -0.022 0.000 1.210 21 W CB 0.125 29.691 29.460 0.177 0.000 1.125 21 W HN 0.192 nan 8.180 nan 0.000 0.572 22 D N 0.167 120.509 120.400 -0.096 0.000 2.162 22 D HA -0.148 4.492 4.640 0.001 0.000 0.203 22 D C 1.484 177.662 176.300 -0.203 0.000 0.967 22 D CA 1.296 55.171 54.000 -0.209 0.000 0.840 22 D CB -0.308 40.427 40.800 -0.108 0.000 0.972 22 D HN 0.090 nan 8.370 nan 0.000 0.482 23 D N -0.163 120.161 120.400 -0.127 0.000 2.327 23 D HA -0.012 4.628 4.640 0.001 0.000 0.205 23 D C 2.144 178.445 176.300 0.001 0.000 0.989 23 D CA -0.108 53.878 54.000 -0.023 0.000 0.873 23 D CB 0.452 41.342 40.800 0.149 0.000 0.955 23 D HN 0.247 nan 8.370 nan 0.000 0.515 24 L N 0.978 122.139 121.223 -0.103 0.000 2.027 24 L HA -0.125 4.215 4.340 0.001 0.000 0.206 24 L C 2.446 179.241 176.870 -0.125 0.000 1.074 24 L CA 1.168 56.038 54.840 0.050 0.000 0.745 24 L CB 0.055 42.308 42.059 0.323 0.000 0.898 24 L HN -0.110 nan 8.230 nan 0.000 0.433 25 R N -0.353 119.848 120.500 -0.499 0.000 2.115 25 R HA -0.129 4.211 4.340 0.001 0.000 0.230 25 R C 2.274 178.330 176.300 -0.405 0.000 1.111 25 R CA 1.082 56.743 56.100 -0.731 0.000 0.976 25 R CB -0.547 29.158 30.300 -0.991 0.000 0.870 25 R HN 0.449 nan 8.270 nan 0.000 0.445 26 A N 1.133 123.794 122.820 -0.264 0.000 1.903 26 A HA -0.174 4.146 4.320 0.001 0.000 0.219 26 A C 2.386 179.896 177.584 -0.122 0.000 1.191 26 A CA 2.117 54.062 52.037 -0.153 0.000 0.638 26 A CB -1.148 17.801 19.000 -0.086 0.000 0.823 26 A HN 0.482 nan 8.150 nan 0.000 0.451 27 G N -0.628 108.111 108.800 -0.101 0.000 2.395 27 G HA2 -0.053 3.907 3.960 0.001 0.000 0.214 27 G HA3 -0.053 3.907 3.960 0.001 0.000 0.214 27 G C 1.518 176.353 174.900 -0.109 0.000 1.177 27 G CA 0.793 45.835 45.100 -0.096 0.000 0.794 27 G HN 0.443 nan 8.290 nan 0.000 0.532 28 I N 0.649 121.134 120.570 -0.143 0.000 2.315 28 I HA -0.228 3.942 4.170 0.001 0.000 0.251 28 I C 2.769 178.869 176.117 -0.027 0.000 1.125 28 I CA 1.386 62.618 61.300 -0.113 0.000 1.392 28 I CB -0.086 37.689 38.000 -0.375 0.000 1.065 28 I HN 0.221 nan 8.210 nan 0.000 0.424 29 Q N 0.802 120.511 119.800 -0.152 0.000 2.364 29 Q HA -0.179 4.161 4.340 0.001 0.000 0.207 29 Q C 1.911 177.924 176.000 0.022 0.000 0.970 29 Q CA 1.468 57.242 55.803 -0.048 0.000 0.888 29 Q CB 0.045 28.727 28.738 -0.095 0.000 0.951 29 Q HN 0.542 nan 8.270 nan 0.000 0.469 30 Q N -1.519 118.288 119.800 0.012 0.000 2.349 30 Q HA 0.082 4.422 4.340 0.001 0.000 0.209 30 Q C 1.860 177.877 176.000 0.027 0.000 0.920 30 Q CA 0.682 56.492 55.803 0.012 0.000 0.901 30 Q CB 0.192 28.905 28.738 -0.042 0.000 1.021 30 Q HN 0.270 nan 8.270 nan 0.000 0.519 31 V N 0.576 120.495 119.914 0.009 0.000 2.828 31 V HA -0.181 3.939 4.120 0.001 0.000 0.260 31 V C -0.110 175.918 176.094 -0.112 0.000 1.101 31 V CA 1.271 63.502 62.300 -0.115 0.000 1.123 31 V CB -0.288 31.426 31.823 -0.182 0.000 0.704 31 V HN 0.147 nan 8.190 nan 0.000 0.493 32 Y N 0.125 120.419 120.300 -0.010 0.000 2.334 32 Y HA 0.476 5.026 4.550 0.001 0.000 0.328 32 Y C 1.394 177.333 175.900 0.065 0.000 1.130 32 Y CA -0.301 57.845 58.100 0.076 0.000 1.163 32 Y CB 1.097 39.721 38.460 0.275 0.000 1.207 32 Y HN 0.090 nan 8.280 nan 0.000 0.471 33 T N 1.417 116.087 114.554 0.192 0.000 4.210 33 T HA -0.240 4.111 4.350 0.001 0.000 0.329 33 T C -0.067 174.685 174.700 0.086 0.000 0.793 33 T CA 0.432 62.620 62.100 0.148 0.000 1.935 33 T CB -1.539 67.431 68.868 0.170 0.000 1.918 33 T HN 0.668 nan 8.240 nan 0.000 0.875 34 R N 1.270 121.792 120.500 0.035 0.000 2.474 34 R HA 0.136 4.477 4.340 0.001 0.000 0.290 34 R C 0.591 176.914 176.300 0.039 0.000 0.918 34 R CA 0.536 56.640 56.100 0.007 0.000 1.130 34 R CB -0.277 29.990 30.300 -0.055 0.000 0.881 34 R HN 0.443 nan 8.270 nan 0.000 0.416 35 Q N 1.553 121.376 119.800 0.038 0.000 2.412 35 Q HA 0.241 4.581 4.340 0.001 0.000 0.298 35 Q C -0.508 175.522 176.000 0.050 0.000 0.938 35 Q CA 0.017 55.846 55.803 0.043 0.000 0.968 35 Q CB 0.237 28.995 28.738 0.034 0.000 1.187 35 Q HN 0.698 nan 8.270 nan 0.000 0.421 36 S N 0.243 115.981 115.700 0.063 0.000 3.587 36 S HA -0.232 4.238 4.470 0.001 0.000 0.337 36 S C 0.393 175.050 174.600 0.095 0.000 1.119 36 S CA 0.723 58.969 58.200 0.076 0.000 0.976 36 S CB -1.921 61.312 63.200 0.055 0.000 0.922 36 S HN 0.814 nan 8.310 nan 0.000 0.503 37 M N -0.365 119.303 119.600 0.113 0.000 2.219 37 M HA 0.331 4.811 4.480 0.001 0.000 0.340 37 M C 0.528 176.959 176.300 0.218 0.000 1.135 37 M CA 0.766 56.144 55.300 0.129 0.000 0.976 37 M CB -0.006 32.632 32.600 0.062 0.000 1.713 37 M HN 0.365 nan 8.290 nan 0.000 0.457 38 A N 3.803 126.708 122.820 0.142 0.000 2.462 38 A HA 0.176 4.496 4.320 0.001 0.000 0.243 38 A C 1.331 179.031 177.584 0.194 0.000 1.076 38 A CA -0.493 51.612 52.037 0.114 0.000 0.773 38 A CB 0.346 19.381 19.000 0.060 0.000 1.010 38 A HN 0.966 nan 8.150 nan 0.000 0.493 39 K N 1.915 122.353 120.400 0.064 0.000 2.442 39 K HA -0.127 4.194 4.320 0.001 0.000 0.200 39 K C 1.331 178.010 176.600 0.133 0.000 1.045 39 K CA 2.062 58.360 56.287 0.019 0.000 0.937 39 K CB -1.068 31.358 32.500 -0.124 0.000 0.757 39 K HN 0.480 nan 8.250 nan 0.000 0.474 40 S N 1.213 116.971 115.700 0.097 0.000 2.382 40 S HA -0.122 4.348 4.470 0.001 0.000 0.228 40 S C 1.950 176.599 174.600 0.081 0.000 1.027 40 S CA 1.398 59.636 58.200 0.062 0.000 0.991 40 S CB -0.254 62.965 63.200 0.033 0.000 0.823 40 S HN 0.355 nan 8.310 nan 0.000 0.469 41 R N 0.782 121.356 120.500 0.123 0.000 2.070 41 R HA -0.040 4.301 4.340 0.001 0.000 0.233 41 R C 1.915 178.247 176.300 0.053 0.000 1.137 41 R CA 1.595 57.720 56.100 0.042 0.000 0.945 41 R CB -1.040 29.241 30.300 -0.033 0.000 0.845 41 R HN 0.456 nan 8.270 nan 0.000 0.430 42 Y N 0.128 120.426 120.300 -0.003 0.000 2.114 42 Y HA -0.257 4.294 4.550 0.001 0.000 0.282 42 Y C 2.296 178.228 175.900 0.053 0.000 1.165 42 Y CA 1.839 59.952 58.100 0.021 0.000 1.148 42 Y CB -0.661 37.793 38.460 -0.010 0.000 0.972 42 Y HN 0.040 nan 8.280 nan 0.000 0.504 43 M N -0.157 119.564 119.600 0.201 0.000 2.106 43 M HA -0.258 4.222 4.480 0.001 0.000 0.259 43 M C 1.985 178.357 176.300 0.121 0.000 1.068 43 M CA 1.926 57.303 55.300 0.129 0.000 1.100 43 M CB -0.500 32.135 32.600 0.058 0.000 1.351 43 M HN 0.294 nan 8.290 nan 0.000 0.404 44 E N 0.628 120.848 120.200 0.033 0.000 2.017 44 E HA -0.168 4.182 4.350 0.001 0.000 0.193 44 E C 2.068 178.615 176.600 -0.089 0.000 0.997 44 E CA 1.312 57.645 56.400 -0.113 0.000 0.804 44 E CB -0.359 29.205 29.700 -0.227 0.000 0.757 44 E HN 0.456 nan 8.360 nan 0.000 0.448 45 L N 0.265 121.504 121.223 0.027 0.000 2.013 45 L HA -0.266 4.074 4.340 0.001 0.000 0.212 45 L C 2.603 179.630 176.870 0.262 0.000 1.073 45 L CA 1.550 56.507 54.840 0.194 0.000 0.753 45 L CB -0.709 41.421 42.059 0.118 0.000 0.890 45 L HN 0.202 nan 8.230 nan 0.000 0.432 46 Y N 1.470 121.846 120.300 0.127 0.000 2.053 46 Y HA -0.335 4.215 4.550 0.000 0.000 0.277 46 Y C 2.846 178.850 175.900 0.174 0.000 1.159 46 Y CA 2.348 60.531 58.100 0.138 0.000 1.125 46 Y CB -0.675 37.840 38.460 0.092 0.000 0.969 46 Y HN 0.277 nan 8.280 nan 0.000 0.492 47 T N -2.890 111.747 114.554 0.139 0.000 3.067 47 T HA -0.056 4.294 4.350 0.001 0.000 0.261 47 T C 1.639 176.439 174.700 0.167 0.000 1.110 47 T CA 1.103 63.246 62.100 0.073 0.000 1.113 47 T CB -0.714 68.223 68.868 0.115 0.000 0.917 47 T HN 0.576 nan 8.240 nan 0.000 0.499 48 H N 0.410 119.529 119.070 0.081 0.000 2.352 48 H HA -0.053 4.503 4.556 0.001 0.000 0.299 48 H C 2.005 177.407 175.328 0.123 0.000 1.097 48 H CA 1.231 57.336 56.048 0.094 0.000 1.311 48 H CB 0.156 29.987 29.762 0.115 0.000 1.377 48 H HN 0.204 nan 8.280 nan 0.000 0.504 49 V N -0.030 120.020 119.914 0.226 0.000 2.446 49 V HA -0.214 3.906 4.120 0.001 0.000 0.244 49 V C 1.967 178.116 176.094 0.092 0.000 1.039 49 V CA 1.364 63.759 62.300 0.159 0.000 1.045 49 V CB -0.725 31.152 31.823 0.091 0.000 0.681 49 V HN 0.458 nan 8.190 nan 0.000 0.459 50 Y N 2.308 122.511 120.300 -0.162 0.000 2.096 50 Y HA -0.360 4.191 4.550 0.000 0.000 0.278 50 Y C 2.176 178.023 175.900 -0.088 0.000 1.192 50 Y CA 2.400 60.325 58.100 -0.292 0.000 1.143 50 Y CB -0.742 37.400 38.460 -0.530 0.000 0.963 50 Y HN 0.388 nan 8.280 nan 0.000 0.505 51 N N -1.589 116.977 118.700 -0.224 0.000 2.171 51 N HA -0.210 4.531 4.740 0.001 0.000 0.184 51 N C 1.807 177.281 175.510 -0.059 0.000 1.021 51 N CA 0.868 53.780 53.050 -0.230 0.000 0.854 51 N CB -0.575 37.883 38.487 -0.050 0.000 0.994 51 N HN 0.478 nan 8.380 nan 0.000 0.426 52 Y N 0.726 120.967 120.300 -0.097 0.000 2.365 52 Y HA -0.251 4.299 4.550 0.001 0.000 0.287 52 Y C 1.356 177.209 175.900 -0.079 0.000 1.162 52 Y CA 0.430 58.483 58.100 -0.078 0.000 1.260 52 Y CB 0.119 38.535 38.460 -0.073 0.000 0.976 52 Y HN 0.217 nan 8.280 nan 0.000 0.548 53 C N 0.114 119.477 119.300 0.103 0.000 2.791 53 C HA 0.146 4.607 4.460 0.001 0.000 0.270 53 C C 0.468 175.444 174.990 -0.023 0.000 1.257 53 C CA 0.356 59.401 59.018 0.044 0.000 1.699 53 C CB -1.132 26.677 27.740 0.115 0.000 1.904 53 C HN 0.425 nan 8.230 nan 0.000 0.603 54 T N -0.739 113.767 114.554 -0.080 0.000 3.038 54 T HA 0.578 4.928 4.350 0.001 0.000 0.344 54 T C -0.511 174.134 174.700 -0.092 0.000 1.054 54 T CA -0.072 61.953 62.100 -0.125 0.000 1.092 54 T CB 1.237 69.946 68.868 -0.265 0.000 1.031 54 T HN 0.096 nan 8.240 nan 0.000 0.482 85 G N 0.032 108.713 108.800 -0.198 0.000 2.780 85 G HA2 -0.054 3.906 3.960 0.001 0.000 0.205 85 G HA3 -0.054 3.906 3.960 0.001 0.000 0.205 85 G C 1.079 175.942 174.900 -0.062 0.000 1.158 85 G CA 0.851 45.892 45.100 -0.098 0.000 0.812 85 G HN 1.092 nan 8.290 nan 0.000 0.521 86 L N -0.048 121.120 121.223 -0.091 0.000 2.082 86 L HA -0.300 4.040 4.340 0.001 0.000 0.223 86 L C 2.700 179.693 176.870 0.205 0.000 1.086 86 L CA 2.639 57.643 54.840 0.274 0.000 0.793 86 L CB -0.214 41.912 42.059 0.111 0.000 0.896 86 L HN 0.524 nan 8.230 nan 0.000 0.441 87 E N -0.287 119.924 120.200 0.018 0.000 2.136 87 E HA -0.362 3.989 4.350 0.001 0.000 0.208 87 E C 2.179 178.652 176.600 -0.212 0.000 1.035 87 E CA 2.257 58.615 56.400 -0.069 0.000 0.838 87 E CB -0.381 29.279 29.700 -0.066 0.000 0.748 87 E HN 0.512 nan 8.360 nan 0.000 0.459 88 L N 0.785 121.772 121.223 -0.393 0.000 2.010 88 L HA -0.288 4.052 4.340 0.001 0.000 0.219 88 L C 2.328 178.978 176.870 -0.367 0.000 1.077 88 L CA 2.534 56.953 54.840 -0.701 0.000 0.773 88 L CB -1.104 40.509 42.059 -0.744 0.000 0.892 88 L HN 0.404 nan 8.230 nan 0.000 0.436 89 Y N 0.177 120.310 120.300 -0.278 0.000 2.128 89 Y HA -0.345 4.205 4.550 0.001 0.000 0.284 89 Y C 2.435 178.205 175.900 -0.216 0.000 1.154 89 Y CA 1.747 59.694 58.100 -0.255 0.000 1.149 89 Y CB -0.038 38.244 38.460 -0.296 0.000 0.976 89 Y HN 0.285 nan 8.280 nan 0.000 0.505 90 K N -0.065 120.261 120.400 -0.122 0.000 2.160 90 K HA -0.219 4.102 4.320 0.001 0.000 0.206 90 K C 1.970 178.510 176.600 -0.100 0.000 1.047 90 K CA 1.281 57.460 56.287 -0.180 0.000 0.930 90 K CB -0.188 32.249 32.500 -0.105 0.000 0.720 90 K HN 0.345 nan 8.250 nan 0.000 0.450 91 R N 0.915 121.317 120.500 -0.165 0.000 2.057 91 R HA 0.016 4.356 4.340 0.001 0.000 0.229 91 R C 2.496 178.884 176.300 0.147 0.000 1.136 91 R CA 0.864 56.902 56.100 -0.104 0.000 0.952 91 R CB -0.862 28.927 30.300 -0.852 0.000 0.848 91 R HN 0.200 nan 8.270 nan 0.000 0.430 92 L N 1.195 122.414 121.223 -0.007 0.000 1.971 92 L HA -0.230 4.111 4.340 0.001 0.000 0.215 92 L C 2.793 179.864 176.870 0.335 0.000 1.072 92 L CA 1.736 56.726 54.840 0.250 0.000 0.758 92 L CB -0.575 41.577 42.059 0.155 0.000 0.889 92 L HN 0.190 nan 8.230 nan 0.000 0.433 93 K N 0.185 120.712 120.400 0.211 0.000 2.059 93 K HA -0.310 4.010 4.320 0.001 0.000 0.212 93 K C 2.065 178.739 176.600 0.123 0.000 1.050 93 K CA 2.214 58.569 56.287 0.113 0.000 0.927 93 K CB -0.166 32.223 32.500 -0.186 0.000 0.714 93 K HN 0.314 nan 8.250 nan 0.000 0.447 94 E N -0.397 119.879 120.200 0.127 0.000 2.038 94 E HA -0.235 4.115 4.350 0.001 0.000 0.195 94 E C 1.926 178.645 176.600 0.197 0.000 1.000 94 E CA 1.511 57.996 56.400 0.142 0.000 0.803 94 E CB -0.289 29.511 29.700 0.167 0.000 0.750 94 E HN 0.403 nan 8.360 nan 0.000 0.448 95 F N 1.298 121.379 119.950 0.218 0.000 2.065 95 F HA -0.277 4.250 4.527 0.000 0.000 0.298 95 F C 1.886 177.793 175.800 0.177 0.000 1.112 95 F CA 1.312 59.435 58.000 0.204 0.000 1.212 95 F CB -0.337 38.840 39.000 0.295 0.000 0.975 95 F HN 0.068 nan 8.300 nan 0.000 0.476 96 L N 0.857 122.147 121.223 0.111 0.000 1.989 96 L HA -0.235 4.105 4.340 0.001 0.000 0.211 96 L C 2.469 179.322 176.870 -0.028 0.000 1.071 96 L CA 2.118 56.985 54.840 0.045 0.000 0.749 96 L CB -1.841 40.374 42.059 0.260 0.000 0.890 96 L HN 0.250 nan 8.230 nan 0.000 0.431 97 K N -0.295 120.116 120.400 0.018 0.000 2.280 97 K HA -0.211 4.109 4.320 0.001 0.000 0.202 97 K C 1.898 178.469 176.600 -0.048 0.000 1.047 97 K CA 1.353 57.635 56.287 -0.009 0.000 0.942 97 K CB 0.082 32.585 32.500 0.005 0.000 0.739 97 K HN 0.245 nan 8.250 nan 0.000 0.457 98 N N -0.312 118.344 118.700 -0.073 0.000 2.220 98 N HA -0.164 4.577 4.740 0.001 0.000 0.182 98 N C 1.581 177.041 175.510 -0.084 0.000 1.023 98 N CA 1.077 54.078 53.050 -0.082 0.000 0.856 98 N CB -0.275 38.164 38.487 -0.080 0.000 0.997 98 N HN 0.334 nan 8.380 nan 0.000 0.429 99 Y N 0.500 120.562 120.300 -0.395 0.000 2.128 99 Y HA -0.242 4.308 4.550 0.001 0.000 0.284 99 Y C 1.539 177.322 175.900 -0.195 0.000 1.154 99 Y CA 1.017 58.884 58.100 -0.389 0.000 1.149 99 Y CB -0.072 38.002 38.460 -0.643 0.000 0.976 99 Y HN 0.046 nan 8.280 nan 0.000 0.505 100 L N 0.650 121.776 121.223 -0.162 0.000 2.042 100 L HA -0.246 4.094 4.340 0.001 0.000 0.210 100 L C 2.527 179.292 176.870 -0.174 0.000 1.076 100 L CA 2.333 56.995 54.840 -0.295 0.000 0.749 100 L CB -1.382 40.455 42.059 -0.371 0.000 0.893 100 L HN 0.198 nan 8.230 nan 0.000 0.432 101 T N -0.201 114.286 114.554 -0.112 0.000 2.699 101 T HA -0.188 4.162 4.350 0.001 0.000 0.268 101 T C 1.684 176.359 174.700 -0.043 0.000 1.036 101 T CA 1.676 63.729 62.100 -0.078 0.000 1.147 101 T CB -0.403 68.434 68.868 -0.053 0.000 0.862 101 T HN 0.377 nan 8.240 nan 0.000 0.446 102 N N 1.115 119.814 118.700 -0.002 0.000 2.216 102 N HA 0.060 4.800 4.740 0.001 0.000 0.183 102 N C 1.943 177.489 175.510 0.060 0.000 1.017 102 N CA 0.529 53.599 53.050 0.035 0.000 0.861 102 N CB -0.446 38.080 38.487 0.065 0.000 0.986 102 N HN 0.315 nan 8.380 nan 0.000 0.428 103 L N 1.047 122.313 121.223 0.072 0.000 2.017 103 L HA -0.135 4.205 4.340 0.001 0.000 0.208 103 L C 2.302 179.201 176.870 0.048 0.000 1.073 103 L CA 0.902 55.793 54.840 0.085 0.000 0.745 103 L CB -0.228 41.801 42.059 -0.051 0.000 0.894 103 L HN 0.086 nan 8.230 nan 0.000 0.432 104 L N 0.280 121.484 121.223 -0.032 0.000 2.079 104 L HA -0.274 4.066 4.340 0.001 0.000 0.210 104 L C 2.442 179.288 176.870 -0.040 0.000 1.081 104 L CA 1.950 56.768 54.840 -0.037 0.000 0.752 104 L CB -0.843 41.166 42.059 -0.084 0.000 0.896 104 L HN 0.198 nan 8.230 nan 0.000 0.433 105 K N -0.469 119.912 120.400 -0.031 0.000 2.113 105 K HA -0.224 4.096 4.320 0.001 0.000 0.208 105 K C 0.270 176.838 176.600 -0.054 0.000 1.047 105 K CA 1.441 57.708 56.287 -0.034 0.000 0.928 105 K CB -0.280 32.210 32.500 -0.016 0.000 0.716 105 K HN 0.530 nan 8.250 nan 0.000 0.446 106 D N -1.701 118.664 120.400 -0.058 0.000 2.256 106 D HA 0.220 4.861 4.640 0.001 0.000 0.250 106 D C 0.484 176.608 176.300 -0.294 0.000 1.093 106 D CA 1.064 54.992 54.000 -0.119 0.000 0.882 106 D CB 1.046 41.813 40.800 -0.054 0.000 1.185 106 D HN 0.361 nan 8.370 nan 0.000 0.437 107 G N 2.899 111.483 108.800 -0.359 0.000 2.196 107 G HA2 -0.361 3.599 3.960 0.001 0.000 0.268 107 G HA3 -0.361 3.599 3.960 0.001 0.000 0.268 107 G C 0.391 175.129 174.900 -0.270 0.000 0.975 107 G CA 0.547 45.338 45.100 -0.515 0.000 0.648 107 G HN 0.721 nan 8.290 nan 0.000 0.538 108 E N 1.166 121.264 120.200 -0.170 0.000 2.652 108 E HA 0.142 4.492 4.350 0.001 0.000 0.255 108 E C 0.554 177.115 176.600 -0.065 0.000 0.952 108 E CA 0.538 56.885 56.400 -0.089 0.000 0.947 108 E CB 0.023 29.683 29.700 -0.067 0.000 0.912 108 E HN 0.320 nan 8.360 nan 0.000 0.489 109 D N 4.070 124.445 120.400 -0.041 0.000 3.142 109 D HA -0.210 4.431 4.640 0.001 0.000 0.221 109 D C -1.220 175.065 176.300 -0.025 0.000 1.193 109 D CA 0.932 54.917 54.000 -0.026 0.000 0.900 109 D CB -0.627 40.158 40.800 -0.025 0.000 0.886 109 D HN 0.457 nan 8.370 nan 0.000 0.399 110 L N 3.796 125.010 121.223 -0.014 0.000 2.420 110 L HA 0.086 4.426 4.340 0.001 0.000 0.260 110 L C 1.440 178.328 176.870 0.030 0.000 1.508 110 L CA -0.819 54.017 54.840 -0.006 0.000 0.835 110 L CB 0.645 42.681 42.059 -0.038 0.000 1.018 110 L HN 0.173 nan 8.230 nan 0.000 0.520 111 M N -0.363 119.255 119.600 0.030 0.000 2.334 111 M HA 0.115 4.596 4.480 0.001 0.000 0.265 111 M C 0.369 176.702 176.300 0.054 0.000 1.085 111 M CA 1.428 56.756 55.300 0.046 0.000 1.093 111 M CB -0.334 32.286 32.600 0.033 0.000 1.237 111 M HN 0.437 nan 8.290 nan 0.000 0.457 112 D N -1.017 119.409 120.400 0.044 0.000 2.643 112 D HA 0.285 4.926 4.640 0.001 0.000 0.283 112 D C -0.766 175.572 176.300 0.064 0.000 1.242 112 D CA 0.134 54.171 54.000 0.061 0.000 0.863 112 D CB 0.867 41.707 40.800 0.067 0.000 1.382 112 D HN 0.692 nan 8.370 nan 0.000 0.444 113 E N -0.944 119.307 120.200 0.085 0.000 2.389 113 E HA -0.270 4.080 4.350 0.001 0.000 0.243 113 E C 0.124 176.782 176.600 0.097 0.000 1.154 113 E CA 1.175 57.633 56.400 0.096 0.000 0.723 113 E CB -2.529 27.218 29.700 0.079 0.000 1.261 113 E HN 0.332 nan 8.360 nan 0.000 0.390 114 S N -0.435 115.327 115.700 0.105 0.000 2.492 114 S HA -0.302 4.168 4.470 0.001 0.000 0.234 114 S C 1.953 176.692 174.600 0.232 0.000 1.050 114 S CA 2.901 61.181 58.200 0.132 0.000 1.203 114 S CB -0.609 62.639 63.200 0.079 0.000 1.161 114 S HN 1.065 nan 8.310 nan 0.000 0.417 115 V N 1.582 121.644 119.914 0.248 0.000 2.469 115 V HA -0.101 4.019 4.120 0.001 0.000 0.251 115 V C 2.213 178.534 176.094 0.378 0.000 1.064 115 V CA 2.072 64.612 62.300 0.401 0.000 1.066 115 V CB -1.291 30.699 31.823 0.278 0.000 0.667 115 V HN 0.599 nan 8.190 nan 0.000 0.461 116 L N 0.000 121.377 121.223 0.257 0.000 1.924 116 L HA -0.196 4.144 4.340 0.001 0.000 0.222 116 L C 2.693 179.693 176.870 0.217 0.000 1.081 116 L CA 2.483 57.453 54.840 0.216 0.000 0.780 116 L CB -0.699 41.453 42.059 0.156 0.000 0.891 116 L HN 0.185 nan 8.230 nan 0.000 0.434 117 K N -0.667 119.852 120.400 0.199 0.000 2.286 117 K HA -0.248 4.073 4.320 0.001 0.000 0.203 117 K C 1.872 178.621 176.600 0.250 0.000 1.045 117 K CA 1.811 58.210 56.287 0.187 0.000 0.935 117 K CB -0.456 32.143 32.500 0.164 0.000 0.737 117 K HN 0.501 nan 8.250 nan 0.000 0.460 118 F N -0.719 119.321 119.950 0.150 0.000 2.383 118 F HA -0.035 4.492 4.527 0.001 0.000 0.287 118 F C 2.042 177.976 175.800 0.223 0.000 1.069 118 F CA 0.446 58.549 58.000 0.172 0.000 1.402 118 F CB -0.400 38.700 39.000 0.168 0.000 1.116 118 F HN 0.058 nan 8.300 nan 0.000 0.549 119 Y N 0.783 121.046 120.300 -0.062 0.000 2.490 119 Y HA 0.009 4.559 4.550 0.000 0.000 0.285 119 Y C 2.413 178.241 175.900 -0.120 0.000 1.117 119 Y CA 1.210 59.122 58.100 -0.314 0.000 1.262 119 Y CB -0.464 38.017 38.460 0.033 0.000 1.043 119 Y HN 0.128 nan 8.280 nan 0.000 0.553 120 T N -1.058 113.417 114.554 -0.131 0.000 2.595 120 T HA -0.290 4.061 4.350 0.001 0.000 0.264 120 T C 1.695 176.318 174.700 -0.129 0.000 1.058 120 T CA 1.971 64.003 62.100 -0.113 0.000 1.166 120 T CB -0.674 68.212 68.868 0.029 0.000 0.863 120 T HN 0.486 nan 8.240 nan 0.000 0.415 121 Q N 0.188 119.934 119.800 -0.090 0.000 2.079 121 Q HA -0.106 4.234 4.340 0.001 0.000 0.200 121 Q C 2.667 178.622 176.000 -0.075 0.000 0.974 121 Q CA 1.351 57.135 55.803 -0.032 0.000 0.840 121 Q CB -0.197 28.567 28.738 0.044 0.000 0.898 121 Q HN 0.485 nan 8.270 nan 0.000 0.430 122 Q N 0.485 120.163 119.800 -0.203 0.000 2.002 122 Q HA -0.210 4.130 4.340 0.001 0.000 0.204 122 Q C 1.482 177.481 176.000 -0.002 0.000 0.988 122 Q CA 1.877 57.612 55.803 -0.112 0.000 0.843 122 Q CB -0.731 27.720 28.738 -0.478 0.000 0.908 122 Q HN 0.617 nan 8.270 nan 0.000 0.420 123 W N 1.319 122.367 121.300 -0.421 0.000 2.325 123 W HA -0.252 4.409 4.660 0.000 0.000 0.299 123 W C 1.495 177.750 176.519 -0.440 0.000 1.215 123 W CA 1.947 58.761 57.345 -0.886 0.000 1.244 123 W CB -0.303 28.492 29.460 -1.109 0.000 1.140 123 W HN 0.418 nan 8.180 nan 0.000 0.523 124 E N 0.342 120.316 120.200 -0.376 0.000 2.033 124 E HA -0.279 4.071 4.350 0.001 0.000 0.199 124 E C 1.789 178.228 176.600 -0.268 0.000 1.011 124 E CA 2.195 58.393 56.400 -0.335 0.000 0.815 124 E CB -0.410 29.221 29.700 -0.114 0.000 0.755 124 E HN 0.124 nan 8.360 nan 0.000 0.451 125 D N -1.026 119.322 120.400 -0.086 0.000 2.289 125 D HA -0.103 4.537 4.640 0.001 0.000 0.207 125 D C 1.595 177.904 176.300 0.015 0.000 0.966 125 D CA 0.398 54.419 54.000 0.035 0.000 0.868 125 D CB -0.075 40.797 40.800 0.121 0.000 0.943 125 D HN 0.288 nan 8.370 nan 0.000 0.514 126 Y N 2.268 122.485 120.300 -0.138 0.000 2.163 126 Y HA -0.174 4.376 4.550 0.001 0.000 0.288 126 Y C 2.491 178.228 175.900 -0.272 0.000 1.136 126 Y CA 1.624 59.677 58.100 -0.078 0.000 1.147 126 Y CB -0.058 38.387 38.460 -0.025 0.000 0.987 126 Y HN -0.239 nan 8.280 nan 0.000 0.509 127 R N -0.329 119.864 120.500 -0.511 0.000 2.132 127 R HA -0.279 4.061 4.340 0.001 0.000 0.233 127 R C 2.262 178.391 176.300 -0.285 0.000 1.125 127 R CA 2.330 58.079 56.100 -0.585 0.000 0.914 127 R CB -1.220 28.552 30.300 -0.881 0.000 0.845 127 R HN 0.428 nan 8.270 nan 0.000 0.431 128 F N 1.814 121.528 119.950 -0.394 0.000 2.063 128 F HA -0.284 4.244 4.527 0.000 0.000 0.298 128 F C 2.364 177.961 175.800 -0.337 0.000 1.105 128 F CA 2.175 59.992 58.000 -0.305 0.000 1.215 128 F CB -1.047 37.813 39.000 -0.233 0.000 0.972 128 F HN 0.106 nan 8.300 nan 0.000 0.483 129 S N -0.152 115.254 115.700 -0.490 0.000 2.359 129 S HA -0.206 4.264 4.470 0.001 0.000 0.224 129 S C 2.231 176.416 174.600 -0.693 0.000 1.035 129 S CA 1.564 59.243 58.200 -0.869 0.000 1.018 129 S CB -0.738 61.598 63.200 -1.441 0.000 0.876 129 S HN 0.454 nan 8.310 nan 0.000 0.448 130 S N 1.081 116.449 115.700 -0.553 0.000 2.383 130 S HA -0.115 4.355 4.470 0.001 0.000 0.229 130 S C 1.832 176.396 174.600 -0.061 0.000 1.030 130 S CA 1.184 59.250 58.200 -0.223 0.000 1.002 130 S CB -0.209 62.873 63.200 -0.198 0.000 0.829 130 S HN 0.466 nan 8.310 nan 0.000 0.467 131 K N 0.969 121.265 120.400 -0.173 0.000 2.002 131 K HA -0.062 4.259 4.320 0.001 0.000 0.209 131 K C 1.941 178.453 176.600 -0.146 0.000 1.048 131 K CA 1.305 57.448 56.287 -0.240 0.000 0.930 131 K CB -0.251 32.133 32.500 -0.192 0.000 0.714 131 K HN 0.153 nan 8.250 nan 0.000 0.438 132 V N 1.754 121.562 119.914 -0.177 0.000 2.407 132 V HA -0.242 3.879 4.120 0.001 0.000 0.248 132 V C 2.241 178.300 176.094 -0.058 0.000 1.055 132 V CA 1.446 63.667 62.300 -0.131 0.000 1.049 132 V CB -0.440 31.226 31.823 -0.263 0.000 0.662 132 V HN 0.373 nan 8.190 nan 0.000 0.455 133 L N 0.822 121.996 121.223 -0.082 0.000 2.093 133 L HA -0.127 4.213 4.340 0.001 0.000 0.208 133 L C 2.174 179.082 176.870 0.063 0.000 1.085 133 L CA 1.952 56.806 54.840 0.024 0.000 0.755 133 L CB -1.081 41.035 42.059 0.095 0.000 0.904 133 L HN 0.340 nan 8.230 nan 0.000 0.435 134 N N 0.061 118.790 118.700 0.047 0.000 2.142 134 N HA -0.139 4.601 4.740 0.001 0.000 0.186 134 N C 1.855 177.399 175.510 0.057 0.000 1.023 134 N CA 1.397 54.481 53.050 0.057 0.000 0.852 134 N CB -0.333 38.190 38.487 0.060 0.000 0.998 134 N HN 0.501 nan 8.380 nan 0.000 0.424 135 G N 1.315 110.136 108.800 0.035 0.000 2.475 135 G HA2 -0.186 3.775 3.960 0.001 0.000 0.220 135 G HA3 -0.186 3.775 3.960 0.001 0.000 0.220 135 G C 1.780 176.767 174.900 0.144 0.000 1.125 135 G CA 0.642 45.775 45.100 0.055 0.000 0.755 135 G HN 0.358 nan 8.290 nan 0.000 0.565 136 I N 0.365 121.035 120.570 0.167 0.000 2.193 136 I HA -0.116 4.055 4.170 0.001 0.000 0.240 136 I C 2.060 178.351 176.117 0.290 0.000 1.084 136 I CA 0.579 62.039 61.300 0.267 0.000 1.365 136 I CB -0.259 37.851 38.000 0.183 0.000 1.064 136 I HN 0.084 nan 8.210 nan 0.000 0.410 137 C N 1.884 121.284 119.300 0.166 0.000 2.511 137 C HA 0.165 4.625 4.460 0.001 0.000 0.300 137 C C 2.804 177.874 174.990 0.134 0.000 1.393 137 C CA 0.073 59.157 59.018 0.109 0.000 1.637 137 C CB -2.235 25.517 27.740 0.020 0.000 1.637 137 C HN 0.502 nan 8.230 nan 0.000 0.595 138 A N 0.418 123.382 122.820 0.240 0.000 1.917 138 A HA -0.267 4.054 4.320 0.001 0.000 0.219 138 A C 1.917 179.645 177.584 0.241 0.000 1.182 138 A CA 1.691 53.869 52.037 0.235 0.000 0.633 138 A CB -0.878 18.314 19.000 0.320 0.000 0.819 138 A HN 0.591 nan 8.150 nan 0.000 0.448 139 Y N -0.039 120.368 120.300 0.178 0.000 2.207 139 Y HA -0.187 4.363 4.550 0.001 0.000 0.287 139 Y C 2.175 178.168 175.900 0.154 0.000 1.156 139 Y CA 1.372 59.578 58.100 0.177 0.000 1.182 139 Y CB -0.187 38.334 38.460 0.100 0.000 0.979 139 Y HN 0.263 nan 8.280 nan 0.000 0.521 140 L N 0.695 121.990 121.223 0.120 0.000 1.955 140 L HA -0.321 4.019 4.340 0.001 0.000 0.213 140 L C 1.555 178.391 176.870 -0.056 0.000 1.072 140 L CA 2.469 57.331 54.840 0.037 0.000 0.755 140 L CB -1.418 40.619 42.059 -0.037 0.000 0.888 140 L HN 0.279 nan 8.230 nan 0.000 0.432 141 N N -0.303 118.333 118.700 -0.106 0.000 2.322 141 N HA -0.229 4.512 4.740 0.001 0.000 0.189 141 N C 1.726 177.148 175.510 -0.145 0.000 1.012 141 N CA 1.229 54.193 53.050 -0.144 0.000 0.880 141 N CB -0.220 38.210 38.487 -0.095 0.000 0.967 141 N HN 0.246 nan 8.380 nan 0.000 0.439 142 R N 0.062 120.442 120.500 -0.200 0.000 2.043 142 R HA 0.169 4.509 4.340 0.001 0.000 0.221 142 R C 1.204 177.213 176.300 -0.486 0.000 1.196 142 R CA 1.236 57.078 56.100 -0.430 0.000 0.949 142 R CB -0.650 29.244 30.300 -0.677 0.000 0.838 142 R HN 0.415 nan 8.270 nan 0.000 0.446 143 H N -1.996 116.980 119.070 -0.157 0.000 2.547 143 H HA 0.064 4.620 4.556 0.001 0.000 0.274 143 H C -0.441 174.979 175.328 0.153 0.000 1.024 143 H CA 0.179 56.195 56.048 -0.053 0.000 1.155 143 H CB -0.060 29.597 29.762 -0.174 0.000 1.344 143 H HN 0.259 nan 8.280 nan 0.000 0.598 144 W N 0.062 121.326 121.300 -0.060 0.000 3.129 144 W HA 0.267 4.928 4.660 0.000 0.000 0.333 144 W C -0.531 175.967 176.519 -0.035 0.000 1.141 144 W CA -0.904 56.425 57.345 -0.027 0.000 1.224 144 W CB 1.511 30.952 29.460 -0.032 0.000 1.393 144 W HN -0.308 nan 8.180 nan 0.000 0.499 145 V N 5.479 125.415 119.914 0.037 0.000 5.616 145 V HA -0.342 3.778 4.120 0.001 0.000 0.301 145 V C 0.672 176.782 176.094 0.026 0.000 0.564 145 V CA 1.961 64.237 62.300 -0.041 0.000 0.653 145 V CB -1.422 30.322 31.823 -0.132 0.000 0.372 145 V HN 0.853 nan 8.190 nan 0.000 1.029 146 R N -0.891 119.688 120.500 0.131 0.000 2.591 146 R HA 0.193 4.533 4.340 0.001 0.000 0.288 146 R C 0.846 177.218 176.300 0.119 0.000 0.947 146 R CA -0.630 55.509 56.100 0.066 0.000 1.085 146 R CB 0.504 30.823 30.300 0.032 0.000 1.618 146 R HN 0.340 nan 8.270 nan 0.000 0.524 147 R N 1.790 122.418 120.500 0.213 0.000 2.357 147 R HA -0.005 4.336 4.340 0.001 0.000 0.330 147 R C 0.344 176.802 176.300 0.264 0.000 1.102 147 R CA 0.748 56.996 56.100 0.246 0.000 0.974 147 R CB 0.614 31.108 30.300 0.324 0.000 1.002 147 R HN 0.367 nan 8.270 nan 0.000 0.463 148 E N 1.083 121.378 120.200 0.159 0.000 2.655 148 E HA 0.036 4.387 4.350 0.001 0.000 0.212 148 E C -0.215 176.438 176.600 0.088 0.000 0.927 148 E CA -0.147 56.325 56.400 0.120 0.000 1.406 148 E CB 0.386 30.129 29.700 0.072 0.000 1.385 148 E HN 0.451 nan 8.360 nan 0.000 0.748 158 E N 0.622 120.837 120.200 0.026 0.000 2.478 158 E HA -0.098 4.252 4.350 0.001 0.000 0.262 158 E C 0.792 177.275 176.600 -0.195 0.000 1.243 158 E CA 0.688 57.030 56.400 -0.096 0.000 1.039 158 E CB 1.151 30.873 29.700 0.036 0.000 0.983 158 E HN 0.477 nan 8.360 nan 0.000 0.479 159 I N 0.359 120.816 120.570 -0.187 0.000 2.385 159 I HA -0.202 3.968 4.170 0.001 0.000 0.244 159 I C 2.082 178.235 176.117 0.059 0.000 1.089 159 I CA 1.086 62.295 61.300 -0.151 0.000 1.410 159 I CB -0.390 37.534 38.000 -0.127 0.000 1.117 159 I HN 0.641 nan 8.210 nan 0.000 0.429 160 Y N 2.063 122.363 120.300 -0.000 0.000 2.102 160 Y HA -0.349 4.201 4.550 0.000 0.000 0.280 160 Y C 2.775 178.743 175.900 0.113 0.000 1.178 160 Y CA 2.146 60.272 58.100 0.042 0.000 1.146 160 Y CB -1.285 37.186 38.460 0.018 0.000 0.968 160 Y HN 0.493 nan 8.280 nan 0.000 0.504 161 S N 1.097 116.761 115.700 -0.061 0.000 2.359 161 S HA -0.258 4.212 4.470 0.001 0.000 0.223 161 S C 2.145 176.736 174.600 -0.016 0.000 1.039 161 S CA 1.506 59.662 58.200 -0.074 0.000 1.042 161 S CB -1.379 61.912 63.200 0.151 0.000 0.915 161 S HN 0.536 nan 8.310 nan 0.000 0.439 162 L N 2.363 123.634 121.223 0.079 0.000 2.089 162 L HA -0.142 4.198 4.340 0.001 0.000 0.213 162 L C 2.725 179.692 176.870 0.162 0.000 1.079 162 L CA 2.464 57.398 54.840 0.158 0.000 0.758 162 L CB -1.954 40.240 42.059 0.225 0.000 0.891 162 L HN 0.487 nan 8.230 nan 0.000 0.433 163 A N -0.075 122.826 122.820 0.135 0.000 1.908 163 A HA -0.209 4.111 4.320 0.001 0.000 0.218 163 A C 2.305 180.107 177.584 0.364 0.000 1.181 163 A CA 1.838 54.032 52.037 0.261 0.000 0.627 163 A CB -0.605 18.493 19.000 0.163 0.000 0.818 163 A HN 0.531 nan 8.150 nan 0.000 0.445 164 L N -0.880 120.412 121.223 0.115 0.000 2.005 164 L HA -0.137 4.203 4.340 0.001 0.000 0.207 164 L C 2.554 179.555 176.870 0.218 0.000 1.072 164 L CA 1.073 56.031 54.840 0.197 0.000 0.744 164 L CB -0.775 41.279 42.059 -0.008 0.000 0.895 164 L HN 0.227 nan 8.230 nan 0.000 0.433 165 V N -0.156 119.827 119.914 0.114 0.000 2.250 165 V HA -0.366 3.754 4.120 0.001 0.000 0.250 165 V C 2.552 178.688 176.094 0.069 0.000 1.060 165 V CA 2.576 64.913 62.300 0.062 0.000 1.030 165 V CB -0.877 30.984 31.823 0.062 0.000 0.643 165 V HN 0.502 nan 8.190 nan 0.000 0.445 166 T N -1.245 113.387 114.554 0.130 0.000 2.869 166 T HA -0.234 4.116 4.350 0.001 0.000 0.270 166 T C 1.388 176.143 174.700 0.092 0.000 1.082 166 T CA 1.525 63.694 62.100 0.115 0.000 1.123 166 T CB -0.284 68.706 68.868 0.203 0.000 0.856 166 T HN 0.753 nan 8.240 nan 0.000 0.499 167 W N 2.663 123.951 121.300 -0.019 0.000 2.630 167 W HA 0.034 4.694 4.660 0.001 0.000 0.271 167 W C 1.579 178.058 176.519 -0.066 0.000 1.244 167 W CA 0.279 57.562 57.345 -0.104 0.000 1.353 167 W CB -0.085 29.343 29.460 -0.054 0.000 1.080 167 W HN 0.184 nan 8.180 nan 0.000 0.594 168 R N 0.922 121.521 120.500 0.165 0.000 2.346 168 R HA -0.025 4.316 4.340 0.001 0.000 0.208 168 R C -0.345 175.877 176.300 -0.130 0.000 1.052 168 R CA 0.969 57.092 56.100 0.039 0.000 1.116 168 R CB -1.035 29.243 30.300 -0.036 0.000 1.003 168 R HN -0.180 nan 8.270 nan 0.000 0.482 169 D N -0.971 119.339 120.400 -0.150 0.000 2.788 169 D HA 0.135 4.775 4.640 0.001 0.000 0.289 169 D C -0.281 175.894 176.300 -0.209 0.000 1.340 169 D CA -0.262 53.654 54.000 -0.140 0.000 0.831 169 D CB 0.561 41.283 40.800 -0.130 0.000 1.103 169 D HN 0.341 nan 8.370 nan 0.000 0.476 170 C N -0.875 118.247 119.300 -0.297 0.000 4.717 170 C HA 0.244 4.704 4.460 0.001 0.000 0.495 170 C C 1.739 176.561 174.990 -0.279 0.000 1.530 170 C CA -0.157 58.593 59.018 -0.447 0.000 2.309 170 C CB -0.647 26.450 27.740 -1.073 0.000 3.351 170 C HN 0.319 nan 8.230 nan 0.000 0.587 171 L N 0.564 121.701 121.223 -0.144 0.000 2.130 171 L HA 0.490 4.830 4.340 0.001 0.000 0.200 171 L C 1.062 178.008 176.870 0.126 0.000 1.075 171 L CA 1.940 56.777 54.840 -0.006 0.000 0.768 171 L CB -0.727 41.396 42.059 0.106 0.000 0.933 171 L HN 0.188 nan 8.230 nan 0.000 0.451 172 F N 2.293 122.191 119.950 -0.087 0.000 2.707 172 F HA 0.144 4.671 4.527 0.001 0.000 0.301 172 F C 0.939 176.697 175.800 -0.070 0.000 1.314 172 F CA 0.159 58.124 58.000 -0.058 0.000 1.443 172 F CB -0.890 38.085 39.000 -0.042 0.000 1.124 172 F HN 0.152 nan 8.300 nan 0.000 0.521 173 R N -1.317 119.208 120.500 0.042 0.000 3.263 173 R HA 0.161 4.501 4.340 0.001 0.000 0.262 173 R C -1.981 174.288 176.300 -0.051 0.000 0.996 173 R CA -1.088 55.000 56.100 -0.020 0.000 0.858 173 R CB -0.411 29.872 30.300 -0.029 0.000 1.538 173 R HN -0.317 nan 8.270 nan 0.000 0.419 174 P HA -0.092 nan 4.420 nan 0.000 0.222 174 P C 0.269 177.515 177.300 -0.089 0.000 1.139 174 P CA 1.369 64.439 63.100 -0.050 0.000 0.790 174 P CB 0.181 31.865 31.700 -0.027 0.000 0.757 175 L N -0.503 120.635 121.223 -0.142 0.000 2.719 175 L HA 0.263 4.604 4.340 0.001 0.000 0.236 175 L C 0.984 177.696 176.870 -0.263 0.000 1.221 175 L CA 0.103 54.769 54.840 -0.290 0.000 1.048 175 L CB 0.044 41.788 42.059 -0.525 0.000 1.364 175 L HN -0.007 nan 8.230 nan 0.000 0.447 176 N N -0.134 118.509 118.700 -0.095 0.000 1.944 176 N HA -0.029 4.712 4.740 0.001 0.000 0.255 176 N C 0.807 176.365 175.510 0.079 0.000 1.272 176 N CA 0.329 53.405 53.050 0.044 0.000 0.783 176 N CB 0.775 39.276 38.487 0.024 0.000 1.379 176 N HN 0.190 nan 8.380 nan 0.000 0.517 177 K N 0.799 121.206 120.400 0.012 0.000 3.233 177 K HA 0.352 4.672 4.320 0.001 0.000 0.241 177 K C 1.494 178.107 176.600 0.022 0.000 1.172 177 K CA 0.683 56.977 56.287 0.012 0.000 1.272 177 K CB -0.309 32.181 32.500 -0.017 0.000 1.914 177 K HN -0.060 nan 8.250 nan 0.000 0.454 178 Q N 0.667 120.472 119.800 0.008 0.000 2.364 178 Q HA -0.080 4.260 4.340 0.001 0.000 0.209 178 Q C 1.793 177.816 176.000 0.039 0.000 0.977 178 Q CA 1.083 56.899 55.803 0.022 0.000 0.885 178 Q CB -0.023 28.724 28.738 0.015 0.000 0.941 178 Q HN 0.098 nan 8.270 nan 0.000 0.464 179 V N 0.668 120.596 119.914 0.023 0.000 2.379 179 V HA -0.189 3.931 4.120 0.001 0.000 0.245 179 V C 2.207 178.359 176.094 0.097 0.000 1.044 179 V CA 1.980 64.304 62.300 0.040 0.000 1.036 179 V CB -0.674 31.091 31.823 -0.096 0.000 0.664 179 V HN 0.355 nan 8.190 nan 0.000 0.453 180 T N 0.399 115.033 114.554 0.134 0.000 2.652 180 T HA -0.220 4.130 4.350 0.001 0.000 0.267 180 T C 1.746 176.528 174.700 0.137 0.000 1.039 180 T CA 2.096 64.282 62.100 0.142 0.000 1.153 180 T CB -0.488 68.480 68.868 0.167 0.000 0.863 180 T HN 0.577 nan 8.240 nan 0.000 0.428 181 N N 1.042 119.803 118.700 0.102 0.000 2.104 181 N HA -0.100 4.640 4.740 0.001 0.000 0.190 181 N C 2.283 177.840 175.510 0.078 0.000 1.024 181 N CA 0.952 54.050 53.050 0.081 0.000 0.853 181 N CB -0.235 38.282 38.487 0.051 0.000 1.008 181 N HN 0.352 nan 8.380 nan 0.000 0.424 182 A N 1.307 124.173 122.820 0.076 0.000 1.958 182 A HA -0.170 4.151 4.320 0.001 0.000 0.221 182 A C 2.486 180.121 177.584 0.086 0.000 1.178 182 A CA 1.502 53.587 52.037 0.081 0.000 0.642 182 A CB -0.893 18.161 19.000 0.091 0.000 0.816 182 A HN 0.128 nan 8.150 nan 0.000 0.453 183 V N 0.129 120.100 119.914 0.095 0.000 2.295 183 V HA -0.270 3.850 4.120 0.001 0.000 0.246 183 V C 2.542 178.706 176.094 0.117 0.000 1.049 183 V CA 1.974 64.322 62.300 0.080 0.000 1.024 183 V CB -0.860 30.981 31.823 0.030 0.000 0.648 183 V HN 0.607 nan 8.190 nan 0.000 0.447 184 L N -0.478 120.848 121.223 0.172 0.000 2.079 184 L HA -0.185 4.155 4.340 0.001 0.000 0.210 184 L C 2.689 179.621 176.870 0.103 0.000 1.081 184 L CA 1.357 56.297 54.840 0.166 0.000 0.752 184 L CB -0.804 41.340 42.059 0.142 0.000 0.896 184 L HN 0.262 nan 8.230 nan 0.000 0.433 185 K N 0.009 120.456 120.400 0.078 0.000 2.097 185 K HA -0.092 4.228 4.320 0.001 0.000 0.206 185 K C 2.096 178.726 176.600 0.049 0.000 1.049 185 K CA 1.060 57.379 56.287 0.053 0.000 0.933 185 K CB -0.264 32.264 32.500 0.047 0.000 0.717 185 K HN 0.231 nan 8.250 nan 0.000 0.442 186 L N 0.619 121.871 121.223 0.048 0.000 2.068 186 L HA -0.011 4.330 4.340 0.001 0.000 0.204 186 L C 2.418 179.298 176.870 0.015 0.000 1.076 186 L CA 1.127 55.984 54.840 0.028 0.000 0.753 186 L CB -0.894 41.173 42.059 0.014 0.000 0.910 186 L HN 0.097 nan 8.230 nan 0.000 0.439 187 I N 0.173 120.753 120.570 0.018 0.000 2.248 187 I HA -0.326 3.844 4.170 0.001 0.000 0.248 187 I C 2.303 178.479 176.117 0.098 0.000 1.107 187 I CA 1.156 62.473 61.300 0.029 0.000 1.373 187 I CB -0.265 37.806 38.000 0.118 0.000 1.055 187 I HN 0.398 nan 8.210 nan 0.000 0.418 188 E N 1.251 121.521 120.200 0.116 0.000 2.492 188 E HA -0.219 4.132 4.350 0.001 0.000 0.204 188 E C 1.097 177.798 176.600 0.168 0.000 1.073 188 E CA 0.637 57.130 56.400 0.156 0.000 0.887 188 E CB 0.153 29.888 29.700 0.058 0.000 0.813 188 E HN 0.116 nan 8.360 nan 0.000 0.562 189 K N 0.925 121.393 120.400 0.113 0.000 2.911 189 K HA 0.024 4.345 4.320 0.001 0.000 0.239 189 K C 0.321 176.995 176.600 0.123 0.000 1.090 189 K CA 0.193 56.540 56.287 0.100 0.000 1.225 189 K CB 0.053 32.587 32.500 0.056 0.000 1.087 189 K HN 0.301 nan 8.250 nan 0.000 0.464 190 E N -0.110 120.213 120.200 0.204 0.000 2.358 190 E HA -0.122 4.229 4.350 0.001 0.000 0.195 190 E C 1.617 178.328 176.600 0.185 0.000 1.010 190 E CA 0.566 57.027 56.400 0.101 0.000 0.856 190 E CB 0.268 29.858 29.700 -0.183 0.000 0.795 190 E HN 0.339 nan 8.360 nan 0.000 0.504 191 R N 0.793 121.493 120.500 0.334 0.000 2.066 191 R HA 0.113 4.454 4.340 0.001 0.000 0.224 191 R C 0.427 176.815 176.300 0.146 0.000 1.122 191 R CA 0.750 57.031 56.100 0.302 0.000 0.974 191 R CB -0.166 30.259 30.300 0.209 0.000 0.871 191 R HN 0.007 nan 8.270 nan 0.000 0.435 192 N N -0.457 118.308 118.700 0.109 0.000 3.340 192 N HA 0.321 5.061 4.740 0.001 0.000 0.234 192 N C -1.333 174.211 175.510 0.057 0.000 1.196 192 N CA -0.255 52.838 53.050 0.072 0.000 0.958 192 N CB 1.937 40.461 38.487 0.061 0.000 1.608 192 N HN 0.337 nan 8.380 nan 0.000 0.515 193 G N 0.941 109.770 108.800 0.049 0.000 2.414 193 G HA2 0.247 4.207 3.960 0.001 0.000 0.213 193 G HA3 0.247 4.207 3.960 0.001 0.000 0.213 193 G C -0.437 174.488 174.900 0.042 0.000 1.444 193 G CA -0.417 44.709 45.100 0.042 0.000 1.076 193 G HN 0.730 nan 8.290 nan 0.000 0.638 194 E N 0.370 120.593 120.200 0.038 0.000 2.665 194 E HA 0.463 4.814 4.350 0.001 0.000 0.225 194 E C 0.637 177.262 176.600 0.042 0.000 0.922 194 E CA 0.448 56.872 56.400 0.041 0.000 1.242 194 E CB 1.464 31.190 29.700 0.043 0.000 1.197 194 E HN 0.794 nan 8.360 nan 0.000 0.581 195 T N -1.048 113.530 114.554 0.040 0.000 2.749 195 T HA 0.342 4.692 4.350 0.001 0.000 0.310 195 T C 0.272 175.005 174.700 0.054 0.000 1.496 195 T CA -0.617 61.511 62.100 0.047 0.000 1.006 195 T CB 0.525 69.423 68.868 0.050 0.000 1.457 195 T HN 0.067 nan 8.240 nan 0.000 0.497 196 I N 1.352 121.957 120.570 0.059 0.000 2.185 196 I HA -0.142 4.028 4.170 0.001 0.000 0.246 196 I C 1.142 177.310 176.117 0.085 0.000 1.088 196 I CA 1.250 62.588 61.300 0.063 0.000 1.347 196 I CB -0.365 37.669 38.000 0.056 0.000 1.041 196 I HN 0.749 nan 8.210 nan 0.000 0.415 197 N N 1.542 120.301 118.700 0.098 0.000 2.525 197 N HA -0.155 4.585 4.740 0.001 0.000 0.283 197 N C 1.134 176.748 175.510 0.173 0.000 1.259 197 N CA 0.806 53.922 53.050 0.110 0.000 0.689 197 N CB 0.001 38.541 38.487 0.087 0.000 0.899 197 N HN 0.576 nan 8.380 nan 0.000 0.541 198 T N 0.015 114.721 114.554 0.254 0.000 2.737 198 T HA -0.258 4.092 4.350 0.001 0.000 0.269 198 T C 1.830 176.694 174.700 0.273 0.000 1.040 198 T CA 1.679 64.103 62.100 0.540 0.000 1.142 198 T CB -0.129 68.896 68.868 0.261 0.000 0.861 198 T HN 0.593 nan 8.240 nan 0.000 0.456 199 R N 0.840 121.405 120.500 0.108 0.000 2.154 199 R HA -0.042 4.298 4.340 0.001 0.000 0.248 199 R C 2.387 178.751 176.300 0.106 0.000 1.155 199 R CA 1.449 57.586 56.100 0.062 0.000 0.979 199 R CB -0.724 29.602 30.300 0.043 0.000 0.869 199 R HN 0.542 nan 8.270 nan 0.000 0.452 200 L N -0.457 120.852 121.223 0.144 0.000 2.201 200 L HA -0.135 4.205 4.340 0.001 0.000 0.212 200 L C 2.012 178.980 176.870 0.164 0.000 1.105 200 L CA 1.048 55.972 54.840 0.140 0.000 0.775 200 L CB -0.205 41.930 42.059 0.127 0.000 0.913 200 L HN 0.267 nan 8.230 nan 0.000 0.440 201 I N -2.004 118.714 120.570 0.247 0.000 3.339 201 I HA -0.060 4.110 4.170 0.001 0.000 0.285 201 I C 2.397 178.655 176.117 0.235 0.000 1.201 201 I CA 0.172 61.619 61.300 0.245 0.000 1.434 201 I CB 0.142 38.289 38.000 0.245 0.000 1.152 201 I HN 0.028 nan 8.210 nan 0.000 0.443 202 S N 1.411 117.225 115.700 0.190 0.000 2.359 202 S HA -0.189 4.281 4.470 0.001 0.000 0.222 202 S C 2.152 176.792 174.600 0.066 0.000 1.038 202 S CA 1.882 60.101 58.200 0.033 0.000 1.051 202 S CB -0.899 62.242 63.200 -0.097 0.000 0.944 202 S HN 0.616 nan 8.310 nan 0.000 0.433 203 G N 1.612 110.450 108.800 0.062 0.000 2.459 203 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 203 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 203 G C 1.489 176.388 174.900 -0.000 0.000 1.183 203 G CA 1.255 46.385 45.100 0.050 0.000 0.776 203 G HN 0.413 nan 8.290 nan 0.000 0.552 204 V N 0.706 120.676 119.914 0.093 0.000 2.220 204 V HA -0.256 3.864 4.120 0.001 0.000 0.250 204 V C 3.027 179.275 176.094 0.257 0.000 1.056 204 V CA 1.918 64.369 62.300 0.252 0.000 1.016 204 V CB -1.051 30.922 31.823 0.251 0.000 0.639 204 V HN 0.253 nan 8.190 nan 0.000 0.446 205 V N 1.082 121.039 119.914 0.071 0.000 2.250 205 V HA -0.370 3.750 4.120 0.001 0.000 0.250 205 V C 2.637 178.717 176.094 -0.024 0.000 1.060 205 V CA 2.710 65.024 62.300 0.023 0.000 1.030 205 V CB -1.085 30.835 31.823 0.162 0.000 0.643 205 V HN 0.859 nan 8.190 nan 0.000 0.445 206 Q N -0.114 119.646 119.800 -0.066 0.000 2.297 206 Q HA -0.107 4.234 4.340 0.001 0.000 0.204 206 Q C 2.104 177.955 176.000 -0.248 0.000 0.962 206 Q CA 1.973 57.672 55.803 -0.172 0.000 0.879 206 Q CB -0.631 28.101 28.738 -0.010 0.000 0.947 206 Q HN 0.480 nan 8.270 nan 0.000 0.462 207 S N -0.570 114.894 115.700 -0.394 0.000 2.348 207 S HA -0.146 4.324 4.470 0.001 0.000 0.221 207 S C 1.457 175.755 174.600 -0.503 0.000 1.033 207 S CA 1.124 58.745 58.200 -0.965 0.000 1.010 207 S CB -0.390 62.126 63.200 -1.140 0.000 0.891 207 S HN 0.602 nan 8.310 nan 0.000 0.442 208 Y N 1.485 121.622 120.300 -0.271 0.000 2.263 208 Y HA -0.021 4.529 4.550 0.000 0.000 0.292 208 Y C 2.454 178.316 175.900 -0.063 0.000 1.130 208 Y CA 0.803 58.854 58.100 -0.083 0.000 1.179 208 Y CB -0.879 37.619 38.460 0.064 0.000 0.998 208 Y HN 0.083 nan 8.280 nan 0.000 0.532 209 V N 0.093 120.037 119.914 0.051 0.000 2.219 209 V HA -0.323 3.797 4.120 0.001 0.000 0.248 209 V C 2.390 178.455 176.094 -0.048 0.000 1.053 209 V CA 2.240 64.483 62.300 -0.095 0.000 1.009 209 V CB -0.616 30.962 31.823 -0.408 0.000 0.636 209 V HN 0.355 nan 8.190 nan 0.000 0.445 210 E N 0.015 120.164 120.200 -0.085 0.000 2.097 210 E HA -0.191 4.159 4.350 0.001 0.000 0.196 210 E C 1.900 178.513 176.600 0.023 0.000 1.000 210 E CA 1.116 57.523 56.400 0.011 0.000 0.804 210 E CB -0.221 29.534 29.700 0.091 0.000 0.740 210 E HN 0.345 nan 8.360 nan 0.000 0.454 211 L N 0.949 122.128 121.223 -0.073 0.000 2.749 211 L HA 0.023 4.364 4.340 0.001 0.000 0.245 211 L C 1.236 178.128 176.870 0.037 0.000 1.156 211 L CA 0.457 55.291 54.840 -0.010 0.000 0.890 211 L CB -1.947 40.084 42.059 -0.048 0.000 1.036 211 L HN -0.087 nan 8.230 nan 0.000 0.441 212 G N 0.292 109.121 108.800 0.048 0.000 2.474 212 G HA2 0.196 4.156 3.960 0.001 0.000 0.233 212 G HA3 0.196 4.156 3.960 0.001 0.000 0.233 212 G C -0.648 174.264 174.900 0.021 0.000 1.278 212 G CA -0.134 45.000 45.100 0.056 0.000 0.861 212 G HN 0.123 nan 8.290 nan 0.000 0.567 213 L N 0.835 122.060 121.223 0.003 0.000 2.381 213 L HA 0.408 4.748 4.340 0.001 0.000 0.268 213 L C 0.826 177.634 176.870 -0.103 0.000 0.997 213 L CA -0.881 53.935 54.840 -0.038 0.000 0.818 213 L CB 1.969 44.021 42.059 -0.012 0.000 1.310 213 L HN 0.517 nan 8.230 nan 0.000 0.416 214 N N 1.617 120.241 118.700 -0.127 0.000 2.571 214 N HA -0.046 4.695 4.740 0.001 0.000 0.189 214 N C -0.528 174.912 175.510 -0.118 0.000 1.154 214 N CA 0.332 53.275 53.050 -0.178 0.000 0.907 214 N CB 0.073 38.505 38.487 -0.092 0.000 0.977 214 N HN 0.623 nan 8.380 nan 0.000 0.449 215 E N 1.917 122.063 120.200 -0.090 0.000 1.858 215 E HA 0.021 4.371 4.350 0.001 0.000 0.267 215 E C -0.553 175.982 176.600 -0.108 0.000 1.215 215 E CA -0.256 56.098 56.400 -0.076 0.000 0.952 215 E CB 0.007 29.670 29.700 -0.061 0.000 1.058 215 E HN 0.052 nan 8.360 nan 0.000 0.407 216 D N 2.768 123.084 120.400 -0.141 0.000 2.811 216 D HA -0.194 4.446 4.640 0.001 0.000 0.231 216 D C -0.004 176.216 176.300 -0.133 0.000 1.157 216 D CA 0.976 54.884 54.000 -0.153 0.000 0.716 216 D CB -0.536 40.190 40.800 -0.124 0.000 1.077 216 D HN 0.485 nan 8.370 nan 0.000 0.428 217 D N -1.148 119.158 120.400 -0.157 0.000 2.805 217 D HA 0.287 4.927 4.640 0.001 0.000 0.271 217 D C 1.685 177.914 176.300 -0.118 0.000 1.166 217 D CA 1.296 55.221 54.000 -0.125 0.000 1.004 217 D CB -0.141 40.562 40.800 -0.161 0.000 1.136 217 D HN 0.298 nan 8.370 nan 0.000 0.444 218 A N -0.264 122.506 122.820 -0.083 0.000 2.336 218 A HA 0.398 4.718 4.320 0.001 0.000 0.212 218 A C -0.166 177.422 177.584 0.008 0.000 2.317 218 A CA -0.144 51.877 52.037 -0.028 0.000 1.564 218 A CB -0.461 18.584 19.000 0.075 0.000 1.096 218 A HN 0.084 nan 8.150 nan 0.000 0.441 219 F N 0.121 120.076 119.950 0.008 0.000 2.403 219 F HA 0.604 5.131 4.527 0.000 0.000 0.326 219 F C 0.939 176.749 175.800 0.015 0.000 1.081 219 F CA -0.473 57.537 58.000 0.016 0.000 1.041 219 F CB 1.454 40.468 39.000 0.023 0.000 1.234 219 F HN 0.422 nan 8.300 nan 0.000 0.503 220 A N 4.229 127.066 122.820 0.029 0.000 2.513 220 A HA 0.061 4.381 4.320 0.001 0.000 0.274 220 A C 1.184 178.830 177.584 0.104 0.000 1.115 220 A CA 0.029 52.076 52.037 0.016 0.000 0.792 220 A CB -0.352 18.638 19.000 -0.017 0.000 1.053 220 A HN 0.960 nan 8.150 nan 0.000 0.515 221 K N 2.738 123.174 120.400 0.060 0.000 1.973 221 K HA -0.083 4.238 4.320 0.001 0.000 0.212 221 K C 1.343 177.978 176.600 0.057 0.000 1.047 221 K CA 1.408 57.730 56.287 0.059 0.000 0.937 221 K CB -0.137 32.386 32.500 0.038 0.000 0.721 221 K HN 0.744 nan 8.250 nan 0.000 0.440 222 G N 0.947 109.774 108.800 0.046 0.000 2.568 222 G HA2 0.348 4.308 3.960 0.001 0.000 0.293 222 G HA3 0.348 4.308 3.960 0.001 0.000 0.293 222 G C -2.581 172.352 174.900 0.054 0.000 1.347 222 G CA -1.220 43.908 45.100 0.047 0.000 1.039 222 G HN -0.045 nan 8.290 nan 0.000 0.523 223 P HA 0.085 nan 4.420 nan 0.000 0.264 223 P C 1.226 178.558 177.300 0.054 0.000 1.183 223 P CA 0.298 63.431 63.100 0.054 0.000 0.763 223 P CB 0.679 32.408 31.700 0.048 0.000 0.807 224 T N -0.229 114.358 114.554 0.056 0.000 2.996 224 T HA -0.133 4.218 4.350 0.001 0.000 0.271 224 T C 0.964 175.701 174.700 0.061 0.000 1.126 224 T CA 0.820 62.949 62.100 0.048 0.000 1.103 224 T CB -0.994 67.907 68.868 0.055 0.000 0.870 224 T HN 0.276 nan 8.240 nan 0.000 0.528 225 L N 1.945 123.215 121.223 0.078 0.000 2.994 225 L HA 0.216 4.556 4.340 0.001 0.000 0.256 225 L C 1.813 178.781 176.870 0.163 0.000 1.315 225 L CA -0.122 54.794 54.840 0.127 0.000 1.143 225 L CB -1.157 40.976 42.059 0.123 0.000 1.530 225 L HN 0.170 nan 8.230 nan 0.000 0.422 226 T N -1.838 112.792 114.554 0.125 0.000 2.852 226 T HA -0.067 4.284 4.350 0.001 0.000 0.256 226 T C 2.060 176.844 174.700 0.141 0.000 1.038 226 T CA 0.779 62.947 62.100 0.113 0.000 1.141 226 T CB 0.003 68.920 68.868 0.082 0.000 0.869 226 T HN 0.196 nan 8.240 nan 0.000 0.439 227 V N 1.013 121.026 119.914 0.166 0.000 2.287 227 V HA -0.235 3.885 4.120 0.001 0.000 0.248 227 V C 2.030 178.283 176.094 0.265 0.000 1.053 227 V CA 1.814 64.243 62.300 0.214 0.000 1.027 227 V CB -0.840 31.115 31.823 0.220 0.000 0.646 227 V HN 0.510 nan 8.190 nan 0.000 0.447 228 Y N 1.111 121.499 120.300 0.146 0.000 2.040 228 Y HA -0.353 4.197 4.550 0.001 0.000 0.275 228 Y C 2.649 178.633 175.900 0.140 0.000 1.171 228 Y CA 2.373 60.554 58.100 0.136 0.000 1.123 228 Y CB -0.131 38.380 38.460 0.085 0.000 0.963 228 Y HN 0.155 nan 8.280 nan 0.000 0.493 229 K N 0.005 120.414 120.400 0.015 0.000 1.973 229 K HA -0.249 4.072 4.320 0.001 0.000 0.212 229 K C 1.990 178.539 176.600 -0.085 0.000 1.047 229 K CA 2.090 58.316 56.287 -0.103 0.000 0.937 229 K CB -0.439 32.081 32.500 0.032 0.000 0.721 229 K HN 0.607 nan 8.250 nan 0.000 0.440 230 E N 0.645 120.849 120.200 0.006 0.000 2.265 230 E HA -0.128 4.222 4.350 0.001 0.000 0.196 230 E C 1.410 178.026 176.600 0.026 0.000 0.996 230 E CA 1.609 58.018 56.400 0.014 0.000 0.832 230 E CB 0.037 29.763 29.700 0.044 0.000 0.756 230 E HN 0.030 nan 8.360 nan 0.000 0.491 231 S N -1.381 114.360 115.700 0.068 0.000 2.497 231 S HA 0.189 4.659 4.470 0.001 0.000 0.218 231 S C 0.588 175.224 174.600 0.060 0.000 1.023 231 S CA 0.125 58.404 58.200 0.132 0.000 0.913 231 S CB 0.053 63.462 63.200 0.348 0.000 0.800 231 S HN 0.400 nan 8.310 nan 0.000 0.505 232 F N 1.344 121.115 119.950 -0.299 0.000 1.901 232 F HA 0.382 4.909 4.527 0.000 0.000 0.239 232 F C 1.798 177.396 175.800 -0.337 0.000 1.133 232 F CA 0.359 58.098 58.000 -0.435 0.000 1.271 232 F CB -0.562 37.972 39.000 -0.776 0.000 1.652 232 F HN 0.013 nan 8.300 nan 0.000 0.543 233 E N 0.237 119.981 120.200 -0.760 0.000 2.113 233 E HA -0.339 4.011 4.350 0.001 0.000 0.210 233 E C 2.155 178.559 176.600 -0.327 0.000 1.040 233 E CA 2.409 58.446 56.400 -0.604 0.000 0.847 233 E CB -0.487 28.970 29.700 -0.404 0.000 0.755 233 E HN 0.396 nan 8.360 nan 0.000 0.459 234 S N -0.303 115.259 115.700 -0.231 0.000 2.351 234 S HA -0.243 4.228 4.470 0.001 0.000 0.220 234 S C 1.920 176.416 174.600 -0.173 0.000 1.035 234 S CA 1.843 59.950 58.200 -0.155 0.000 1.031 234 S CB -0.257 62.885 63.200 -0.097 0.000 0.928 234 S HN 0.298 nan 8.310 nan 0.000 0.433 235 Q N -0.219 119.479 119.800 -0.171 0.000 2.439 235 Q HA 0.093 4.434 4.340 0.001 0.000 0.211 235 Q C 1.465 177.367 176.000 -0.165 0.000 0.978 235 Q CA 0.965 56.691 55.803 -0.129 0.000 0.897 235 Q CB -0.406 28.298 28.738 -0.056 0.000 0.956 235 Q HN 0.744 nan 8.270 nan 0.000 0.483 236 F N -0.158 119.475 119.950 -0.527 0.000 2.164 236 F HA 0.038 4.565 4.527 0.000 0.000 0.287 236 F C 1.361 176.974 175.800 -0.312 0.000 1.086 236 F CA 0.831 58.477 58.000 -0.589 0.000 1.249 236 F CB -0.460 37.858 39.000 -1.136 0.000 1.059 236 F HN -0.027 nan 8.300 nan 0.000 0.490 237 L N 0.865 121.690 121.223 -0.664 0.000 1.956 237 L HA -0.253 4.087 4.340 0.001 0.000 0.216 237 L C 2.867 179.501 176.870 -0.394 0.000 1.073 237 L CA 1.706 56.163 54.840 -0.638 0.000 0.762 237 L CB -1.674 40.186 42.059 -0.332 0.000 0.889 237 L HN 0.291 nan 8.230 nan 0.000 0.433 238 A N -0.050 122.623 122.820 -0.244 0.000 1.940 238 A HA -0.358 3.962 4.320 0.001 0.000 0.221 238 A C 1.958 179.458 177.584 -0.139 0.000 1.190 238 A CA 2.647 54.592 52.037 -0.153 0.000 0.647 238 A CB -0.891 18.043 19.000 -0.111 0.000 0.821 238 A HN 0.537 nan 8.150 nan 0.000 0.457 239 D N -2.101 118.205 120.400 -0.156 0.000 2.234 239 D HA -0.037 4.603 4.640 0.001 0.000 0.205 239 D C 1.935 178.169 176.300 -0.110 0.000 0.962 239 D CA 1.502 55.443 54.000 -0.099 0.000 0.855 239 D CB 0.040 40.810 40.800 -0.049 0.000 0.951 239 D HN 0.385 nan 8.370 nan 0.000 0.500 240 T N -0.105 114.301 114.554 -0.247 0.000 2.812 240 T HA -0.090 4.261 4.350 0.001 0.000 0.264 240 T C 1.560 176.176 174.700 -0.140 0.000 1.042 240 T CA 0.960 62.901 62.100 -0.265 0.000 1.140 240 T CB -0.183 68.355 68.868 -0.551 0.000 0.870 240 T HN 0.258 nan 8.240 nan 0.000 0.445 241 E N 1.371 121.506 120.200 -0.108 0.000 2.033 241 E HA -0.260 4.091 4.350 0.001 0.000 0.199 241 E C 2.318 178.950 176.600 0.053 0.000 1.011 241 E CA 1.596 57.997 56.400 0.001 0.000 0.815 241 E CB -0.255 29.425 29.700 -0.033 0.000 0.755 241 E HN 0.471 nan 8.360 nan 0.000 0.451 242 R N 0.885 121.395 120.500 0.016 0.000 2.133 242 R HA -0.237 4.103 4.340 0.001 0.000 0.247 242 R C 2.121 178.462 176.300 0.068 0.000 1.151 242 R CA 1.730 57.849 56.100 0.031 0.000 0.971 242 R CB -0.938 29.358 30.300 -0.007 0.000 0.866 242 R HN 0.161 nan 8.270 nan 0.000 0.447 243 F N 1.177 121.023 119.950 -0.174 0.000 2.015 243 F HA -0.254 4.273 4.527 0.001 0.000 0.297 243 F C 1.765 177.431 175.800 -0.222 0.000 1.141 243 F CA 1.606 59.438 58.000 -0.279 0.000 1.192 243 F CB -1.055 37.621 39.000 -0.539 0.000 0.957 243 F HN 0.054 nan 8.300 nan 0.000 0.491 244 Y N -0.132 120.415 120.300 0.410 0.000 2.293 244 Y HA -0.175 4.376 4.550 0.001 0.000 0.291 244 Y C 2.561 178.563 175.900 0.170 0.000 1.137 244 Y CA 1.355 59.585 58.100 0.217 0.000 1.202 244 Y CB -1.130 37.325 38.460 -0.008 0.000 0.990 244 Y HN 0.037 nan 8.280 nan 0.000 0.537 245 T N -0.068 114.649 114.554 0.272 0.000 2.849 245 T HA -0.154 4.197 4.350 0.001 0.000 0.270 245 T C 1.824 176.631 174.700 0.178 0.000 1.066 245 T CA 1.179 63.404 62.100 0.208 0.000 1.130 245 T CB -0.138 68.809 68.868 0.133 0.000 0.864 245 T HN 0.344 nan 8.240 nan 0.000 0.481 246 R N 0.439 121.030 120.500 0.151 0.000 2.090 246 R HA 0.106 4.446 4.340 0.001 0.000 0.219 246 R C 2.484 178.875 176.300 0.152 0.000 1.100 246 R CA 0.787 56.946 56.100 0.099 0.000 0.991 246 R CB -0.093 30.216 30.300 0.014 0.000 0.893 246 R HN 0.428 nan 8.270 nan 0.000 0.443 247 E N 0.719 121.051 120.200 0.222 0.000 2.208 247 E HA -0.126 4.225 4.350 0.001 0.000 0.193 247 E C 1.813 178.597 176.600 0.307 0.000 0.988 247 E CA 1.170 57.733 56.400 0.271 0.000 0.828 247 E CB 0.226 30.147 29.700 0.368 0.000 0.763 247 E HN 0.258 nan 8.360 nan 0.000 0.478 248 S N 0.039 115.940 115.700 0.335 0.000 2.335 248 S HA -0.185 4.285 4.470 0.001 0.000 0.216 248 S C 2.307 177.180 174.600 0.456 0.000 1.032 248 S CA 1.762 60.248 58.200 0.477 0.000 1.000 248 S CB -1.219 62.333 63.200 0.586 0.000 0.928 248 S HN 0.369 nan 8.310 nan 0.000 0.434 249 T N -0.335 114.394 114.554 0.293 0.000 3.025 249 T HA -0.032 4.319 4.350 0.001 0.000 0.270 249 T C 1.588 176.383 174.700 0.157 0.000 1.126 249 T CA 1.381 63.575 62.100 0.157 0.000 1.105 249 T CB -0.483 68.431 68.868 0.077 0.000 0.884 249 T HN 0.715 nan 8.240 nan 0.000 0.522 250 E N -0.669 119.657 120.200 0.211 0.000 2.075 250 E HA 0.041 4.391 4.350 0.001 0.000 0.190 250 E C 1.649 178.361 176.600 0.187 0.000 0.969 250 E CA 0.159 56.655 56.400 0.160 0.000 0.815 250 E CB -0.183 29.616 29.700 0.164 0.000 0.776 250 E HN 0.479 nan 8.360 nan 0.000 0.457 251 F N 1.139 121.168 119.950 0.130 0.000 2.146 251 F HA -0.063 4.465 4.527 0.001 0.000 0.298 251 F C 2.170 178.082 175.800 0.188 0.000 1.096 251 F CA 0.859 58.945 58.000 0.143 0.000 1.275 251 F CB -0.198 38.890 39.000 0.146 0.000 1.008 251 F HN 0.079 nan 8.300 nan 0.000 0.480 252 L N -0.242 121.255 121.223 0.456 0.000 2.103 252 L HA -0.304 4.036 4.340 0.001 0.000 0.215 252 L C 2.038 178.969 176.870 0.103 0.000 1.080 252 L CA 1.706 56.709 54.840 0.272 0.000 0.764 252 L CB -0.294 41.832 42.059 0.112 0.000 0.890 252 L HN 0.121 nan 8.230 nan 0.000 0.435 253 Q N -1.696 118.130 119.800 0.044 0.000 2.349 253 Q HA 0.018 4.358 4.340 0.001 0.000 0.209 253 Q C 2.072 178.026 176.000 -0.076 0.000 0.920 253 Q CA 0.942 56.735 55.803 -0.017 0.000 0.901 253 Q CB 0.227 28.954 28.738 -0.017 0.000 1.021 253 Q HN 0.554 nan 8.270 nan 0.000 0.519 254 Q N -0.558 119.149 119.800 -0.155 0.000 2.297 254 Q HA 0.126 4.466 4.340 0.001 0.000 0.203 254 Q C 0.086 175.837 176.000 -0.414 0.000 0.931 254 Q CA 0.376 56.030 55.803 -0.249 0.000 0.885 254 Q CB 0.590 29.189 28.738 -0.231 0.000 0.991 254 Q HN 0.237 nan 8.270 nan 0.000 0.498 255 N N 0.126 118.397 118.700 -0.716 0.000 2.619 255 N HA 0.372 5.112 4.740 0.001 0.000 0.294 255 N C -2.711 172.844 175.510 0.075 0.000 1.279 255 N CA -1.719 51.042 53.050 -0.481 0.000 0.867 255 N CB 0.668 38.588 38.487 -0.945 0.000 1.329 255 N HN -0.248 nan 8.380 nan 0.000 0.557 256 P HA -0.081 nan 4.420 nan 0.000 0.264 256 P C 1.223 178.689 177.300 0.277 0.000 1.179 256 P CA 0.107 63.330 63.100 0.204 0.000 0.763 256 P CB 0.511 32.318 31.700 0.178 0.000 0.806 257 V N 0.837 120.869 119.914 0.198 0.000 3.305 257 V HA 0.018 4.138 4.120 0.001 0.000 0.269 257 V C 0.228 176.472 176.094 0.250 0.000 1.157 257 V CA 1.429 63.868 62.300 0.232 0.000 1.157 257 V CB -1.125 30.808 31.823 0.185 0.000 0.772 257 V HN 0.543 nan 8.190 nan 0.000 0.498 258 T N 0.724 115.398 114.554 0.201 0.000 3.160 258 T HA 0.672 5.023 4.350 0.001 0.000 0.344 258 T C -0.578 174.224 174.700 0.171 0.000 0.981 258 T CA -0.069 62.144 62.100 0.189 0.000 1.170 258 T CB 1.073 70.025 68.868 0.141 0.000 1.016 258 T HN 0.258 nan 8.240 nan 0.000 0.492 259 E N 0.526 120.863 120.200 0.229 0.000 2.679 259 E HA 0.054 4.404 4.350 0.001 0.000 0.130 259 E C -0.726 176.038 176.600 0.274 0.000 0.928 259 E CA -0.238 56.300 56.400 0.229 0.000 1.436 259 E CB -1.031 28.815 29.700 0.244 0.000 0.880 259 E HN 0.732 nan 8.360 nan 0.000 0.357 260 Y N 0.163 120.569 120.300 0.176 0.000 2.453 260 Y HA 0.238 4.788 4.550 0.001 0.000 0.273 260 Y C 1.953 177.877 175.900 0.040 0.000 1.130 260 Y CA 0.786 58.942 58.100 0.093 0.000 1.271 260 Y CB 0.055 38.646 38.460 0.219 0.000 1.253 260 Y HN 0.001 nan 8.280 nan 0.000 0.512 261 M N 1.038 120.981 119.600 0.573 0.000 2.082 261 M HA -0.290 4.190 4.480 0.001 0.000 0.258 261 M C 2.258 178.613 176.300 0.092 0.000 1.069 261 M CA 2.294 57.824 55.300 0.382 0.000 1.102 261 M CB -0.524 32.238 32.600 0.270 0.000 1.336 261 M HN 0.225 nan 8.290 nan 0.000 0.404 262 K N 0.787 121.225 120.400 0.063 0.000 2.127 262 K HA -0.261 4.059 4.320 0.001 0.000 0.208 262 K C 2.025 178.577 176.600 -0.080 0.000 1.047 262 K CA 1.916 58.201 56.287 -0.003 0.000 0.927 262 K CB -0.082 32.429 32.500 0.019 0.000 0.716 262 K HN 0.275 nan 8.250 nan 0.000 0.450 263 K N -0.685 119.609 120.400 -0.175 0.000 2.128 263 K HA 0.031 4.352 4.320 0.001 0.000 0.202 263 K C 1.779 178.193 176.600 -0.311 0.000 1.050 263 K CA 0.856 56.972 56.287 -0.285 0.000 0.966 263 K CB -0.029 32.167 32.500 -0.506 0.000 0.759 263 K HN 0.162 nan 8.250 nan 0.000 0.454 264 A N 1.073 123.676 122.820 -0.361 0.000 2.167 264 A HA -0.038 4.282 4.320 0.001 0.000 0.214 264 A C 1.845 179.300 177.584 -0.213 0.000 1.151 264 A CA 0.682 52.494 52.037 -0.375 0.000 0.735 264 A CB -0.213 18.617 19.000 -0.283 0.000 0.802 264 A HN 0.328 nan 8.150 nan 0.000 0.467 265 E N 0.508 120.624 120.200 -0.138 0.000 2.016 265 E HA -0.089 4.262 4.350 0.001 0.000 0.190 265 E C 2.356 178.883 176.600 -0.121 0.000 0.985 265 E CA 1.224 57.565 56.400 -0.099 0.000 0.802 265 E CB -0.374 29.290 29.700 -0.060 0.000 0.762 265 E HN 0.454 nan 8.360 nan 0.000 0.448 266 A N 1.651 124.399 122.820 -0.121 0.000 1.883 266 A HA -0.208 4.112 4.320 0.001 0.000 0.217 266 A C 2.253 179.762 177.584 -0.125 0.000 1.186 266 A CA 1.758 53.732 52.037 -0.104 0.000 0.624 266 A CB -0.578 18.368 19.000 -0.090 0.000 0.822 266 A HN 0.176 nan 8.150 nan 0.000 0.444 267 R N -0.717 119.674 120.500 -0.183 0.000 2.091 267 R HA -0.114 4.227 4.340 0.001 0.000 0.238 267 R C 2.109 178.258 176.300 -0.252 0.000 1.136 267 R CA 1.508 57.474 56.100 -0.224 0.000 0.959 267 R CB -0.609 29.472 30.300 -0.365 0.000 0.856 267 R HN 0.541 nan 8.270 nan 0.000 0.437 268 L N 0.687 121.748 121.223 -0.269 0.000 2.012 268 L HA -0.238 4.102 4.340 0.001 0.000 0.210 268 L C 2.572 179.369 176.870 -0.122 0.000 1.073 268 L CA 1.232 55.943 54.840 -0.214 0.000 0.748 268 L CB -0.471 41.483 42.059 -0.175 0.000 0.891 268 L HN 0.279 nan 8.230 nan 0.000 0.431 269 L N -0.303 120.861 121.223 -0.099 0.000 2.012 269 L HA -0.272 4.068 4.340 0.001 0.000 0.210 269 L C 2.523 179.371 176.870 -0.037 0.000 1.073 269 L CA 1.606 56.411 54.840 -0.058 0.000 0.748 269 L CB -0.203 41.825 42.059 -0.052 0.000 0.891 269 L HN 0.280 nan 8.230 nan 0.000 0.431 270 E N -0.306 119.869 120.200 -0.042 0.000 2.021 270 E HA -0.277 4.073 4.350 0.001 0.000 0.200 270 E C 2.057 178.668 176.600 0.018 0.000 1.015 270 E CA 1.630 58.026 56.400 -0.008 0.000 0.824 270 E CB -0.184 29.510 29.700 -0.010 0.000 0.762 270 E HN 0.462 nan 8.360 nan 0.000 0.454 271 E N 0.490 120.696 120.200 0.010 0.000 2.187 271 E HA -0.267 4.084 4.350 0.001 0.000 0.199 271 E C 1.931 178.573 176.600 0.069 0.000 1.004 271 E CA 1.132 57.568 56.400 0.061 0.000 0.813 271 E CB -0.243 29.471 29.700 0.024 0.000 0.736 271 E HN 0.384 nan 8.360 nan 0.000 0.468 272 Q N 0.072 119.888 119.800 0.026 0.000 2.123 272 Q HA -0.095 4.245 4.340 0.001 0.000 0.199 272 Q C 2.194 178.216 176.000 0.036 0.000 0.966 272 Q CA 0.579 56.399 55.803 0.027 0.000 0.845 272 Q CB 0.176 28.914 28.738 0.000 0.000 0.907 272 Q HN 0.097 nan 8.270 nan 0.000 0.439 273 R N 0.231 120.751 120.500 0.034 0.000 2.070 273 R HA -0.045 4.295 4.340 0.001 0.000 0.232 273 R C 1.726 178.072 176.300 0.077 0.000 1.138 273 R CA 0.959 57.083 56.100 0.040 0.000 0.936 273 R CB -0.278 30.044 30.300 0.036 0.000 0.839 273 R HN 0.141 nan 8.270 nan 0.000 0.429 274 R N 1.096 121.661 120.500 0.109 0.000 2.387 274 R HA -0.012 4.328 4.340 0.001 0.000 0.203 274 R C 1.169 177.586 176.300 0.194 0.000 1.121 274 R CA 0.310 56.518 56.100 0.181 0.000 1.129 274 R CB -0.491 29.887 30.300 0.129 0.000 0.905 274 R HN 0.155 nan 8.270 nan 0.000 0.477 275 V N -0.943 119.042 119.914 0.118 0.000 3.548 275 V HA 0.048 4.168 4.120 0.001 0.000 0.279 275 V C 1.124 177.207 176.094 -0.018 0.000 1.446 275 V CA 0.206 62.550 62.300 0.072 0.000 1.023 275 V CB 0.314 32.190 31.823 0.088 0.000 0.820 275 V HN 0.193 nan 8.190 nan 0.000 0.438 276 Q N 0.502 120.293 119.800 -0.015 0.000 2.204 276 Q HA 0.222 4.562 4.340 0.001 0.000 0.209 276 Q C 1.014 176.945 176.000 -0.114 0.000 0.861 276 Q CA 0.516 56.279 55.803 -0.066 0.000 0.971 276 Q CB 0.944 29.661 28.738 -0.036 0.000 1.095 276 Q HN 0.676 nan 8.270 nan 0.000 0.486 277 V N -6.128 113.696 119.914 -0.149 0.000 3.289 277 V HA 0.176 4.297 4.120 0.001 0.000 0.262 277 V C -0.080 175.602 176.094 -0.686 0.000 1.707 277 V CA -0.328 61.786 62.300 -0.310 0.000 1.024 277 V CB -0.089 31.622 31.823 -0.186 0.000 0.871 277 V HN 0.188 nan 8.190 nan 0.000 0.397 278 Y N 0.685 120.914 120.300 -0.118 0.000 2.685 278 Y HA 0.683 5.233 4.550 0.001 0.000 0.284 278 Y C 0.336 176.160 175.900 -0.127 0.000 0.944 278 Y CA -0.562 57.472 58.100 -0.109 0.000 1.107 278 Y CB 0.960 39.383 38.460 -0.062 0.000 1.188 278 Y HN 0.110 nan 8.280 nan 0.000 0.635 279 L N 0.332 121.415 121.223 -0.234 0.000 2.928 279 L HA 0.519 4.860 4.340 0.001 0.000 0.162 279 L C 0.334 176.763 176.870 -0.735 0.000 1.540 279 L CA 0.086 54.679 54.840 -0.413 0.000 1.836 279 L CB -0.037 41.616 42.059 -0.678 0.000 2.626 279 L HN 0.329 nan 8.230 nan 0.000 0.549 280 H N -2.188 116.830 119.070 -0.086 0.000 2.915 280 H HA -0.024 4.532 4.556 0.001 0.000 0.218 280 H C 0.499 175.808 175.328 -0.031 0.000 1.279 280 H CA 0.094 56.027 56.048 -0.192 0.000 1.370 280 H CB -0.180 29.218 29.762 -0.607 0.000 1.776 280 H HN 0.490 nan 8.280 nan 0.000 0.394 281 E N 0.725 120.953 120.200 0.047 0.000 2.072 281 E HA -0.020 4.330 4.350 0.001 0.000 0.191 281 E C 0.398 177.039 176.600 0.068 0.000 0.985 281 E CA 1.464 57.886 56.400 0.038 0.000 0.801 281 E CB 0.144 29.866 29.700 0.036 0.000 0.750 281 E HN 0.393 nan 8.360 nan 0.000 0.452 282 S N -0.558 115.208 115.700 0.110 0.000 2.664 282 S HA 0.488 4.958 4.470 0.001 0.000 0.262 282 S C -0.146 174.555 174.600 0.169 0.000 1.229 282 S CA -0.782 57.486 58.200 0.112 0.000 1.151 282 S CB 1.713 64.963 63.200 0.083 0.000 1.054 282 S HN -0.002 nan 8.310 nan 0.000 0.483 283 T N 2.207 116.869 114.554 0.179 0.000 3.333 283 T HA 0.169 4.519 4.350 0.001 0.000 0.289 283 T C 1.235 176.052 174.700 0.194 0.000 0.866 283 T CA 0.083 62.319 62.100 0.228 0.000 0.872 283 T CB 0.170 69.251 68.868 0.353 0.000 1.227 283 T HN 0.533 nan 8.240 nan 0.000 0.676 284 Q N 0.815 120.698 119.800 0.138 0.000 2.036 284 Q HA 0.003 4.344 4.340 0.001 0.000 0.195 284 Q C 1.375 177.409 176.000 0.057 0.000 0.971 284 Q CA 1.252 57.111 55.803 0.094 0.000 0.826 284 Q CB 0.102 28.880 28.738 0.066 0.000 0.896 284 Q HN 0.292 nan 8.270 nan 0.000 0.449 285 D N 1.031 121.460 120.400 0.049 0.000 2.123 285 D HA -0.122 4.518 4.640 0.001 0.000 0.200 285 D C 1.674 177.989 176.300 0.024 0.000 0.976 285 D CA 1.026 55.042 54.000 0.027 0.000 0.831 285 D CB -0.090 40.724 40.800 0.023 0.000 0.974 285 D HN 0.276 nan 8.370 nan 0.000 0.469 286 E N 0.590 120.814 120.200 0.040 0.000 2.118 286 E HA -0.136 4.214 4.350 0.001 0.000 0.195 286 E C 2.101 178.708 176.600 0.011 0.000 0.992 286 E CA 0.233 56.650 56.400 0.027 0.000 0.804 286 E CB -0.032 29.695 29.700 0.044 0.000 0.741 286 E HN 0.155 nan 8.360 nan 0.000 0.458 287 L N 1.087 122.337 121.223 0.045 0.000 1.994 287 L HA -0.143 4.197 4.340 0.001 0.000 0.208 287 L C 2.281 179.141 176.870 -0.016 0.000 1.071 287 L CA 2.134 56.989 54.840 0.026 0.000 0.745 287 L CB -1.044 41.107 42.059 0.154 0.000 0.892 287 L HN 0.073 nan 8.230 nan 0.000 0.431 288 A N 0.205 123.025 122.820 -0.001 0.000 1.845 288 A HA -0.235 4.085 4.320 0.001 0.000 0.215 288 A C 2.343 179.903 177.584 -0.041 0.000 1.195 288 A CA 1.491 53.511 52.037 -0.029 0.000 0.616 288 A CB -0.813 18.175 19.000 -0.020 0.000 0.832 288 A HN 0.440 nan 8.150 nan 0.000 0.443 289 R N -0.193 120.291 120.500 -0.026 0.000 2.174 289 R HA -0.195 4.146 4.340 0.001 0.000 0.253 289 R C 1.713 177.991 176.300 -0.036 0.000 1.165 289 R CA 1.883 57.967 56.100 -0.027 0.000 0.984 289 R CB -0.287 30.004 30.300 -0.015 0.000 0.873 289 R HN 0.412 nan 8.270 nan 0.000 0.456 290 K N -0.503 119.869 120.400 -0.046 0.000 2.044 290 K HA -0.026 4.294 4.320 0.001 0.000 0.204 290 K C 2.249 178.812 176.600 -0.062 0.000 1.049 290 K CA 1.274 57.528 56.287 -0.056 0.000 0.945 290 K CB -0.596 31.855 32.500 -0.082 0.000 0.724 290 K HN 0.244 nan 8.250 nan 0.000 0.440 291 C N 1.421 120.671 119.300 -0.083 0.000 2.446 291 C HA 0.031 4.491 4.460 0.001 0.000 0.279 291 C C 2.468 177.374 174.990 -0.140 0.000 1.366 291 C CA 0.180 59.121 59.018 -0.128 0.000 1.763 291 C CB -0.589 27.026 27.740 -0.209 0.000 1.929 291 C HN 0.506 nan 8.230 nan 0.000 0.509 292 E N 0.887 121.026 120.200 -0.102 0.000 2.031 292 E HA -0.245 4.105 4.350 0.001 0.000 0.193 292 E C 2.236 178.795 176.600 -0.068 0.000 0.994 292 E CA 1.182 57.531 56.400 -0.084 0.000 0.800 292 E CB -0.299 29.366 29.700 -0.060 0.000 0.752 292 E HN 0.677 nan 8.360 nan 0.000 0.447 293 Q N 0.301 120.073 119.800 -0.047 0.000 2.152 293 Q HA -0.166 4.175 4.340 0.001 0.000 0.206 293 Q C 2.309 178.289 176.000 -0.033 0.000 0.985 293 Q CA 1.421 57.210 55.803 -0.023 0.000 0.863 293 Q CB -0.009 28.722 28.738 -0.011 0.000 0.904 293 Q HN 0.181 nan 8.270 nan 0.000 0.422 294 V N 0.371 120.250 119.914 -0.060 0.000 2.591 294 V HA -0.158 3.962 4.120 0.001 0.000 0.249 294 V C 1.931 177.838 176.094 -0.311 0.000 1.053 294 V CA 1.175 63.436 62.300 -0.064 0.000 1.068 294 V CB -0.284 31.547 31.823 0.013 0.000 0.689 294 V HN 0.282 nan 8.190 nan 0.000 0.462 295 L N -0.940 120.111 121.223 -0.287 0.000 2.187 295 L HA 0.248 4.588 4.340 0.001 0.000 0.197 295 L C 0.721 177.415 176.870 -0.293 0.000 1.090 295 L CA 0.525 55.188 54.840 -0.295 0.000 0.781 295 L CB -0.154 41.820 42.059 -0.141 0.000 0.956 295 L HN 0.171 nan 8.230 nan 0.000 0.463 296 I N 0.171 120.705 120.570 -0.060 0.000 2.612 296 I HA 0.052 4.223 4.170 0.001 0.000 0.295 296 I C 1.101 177.241 176.117 0.038 0.000 1.011 296 I CA 0.143 61.510 61.300 0.111 0.000 1.326 296 I CB 0.947 39.008 38.000 0.102 0.000 1.427 296 I HN 0.363 nan 8.210 nan 0.000 0.537 297 E N 1.887 122.156 120.200 0.115 0.000 4.028 297 E HA -0.284 4.066 4.350 0.001 0.000 0.343 297 E C 0.135 176.785 176.600 0.083 0.000 0.700 297 E CA 1.490 57.940 56.400 0.083 0.000 1.288 297 E CB -0.729 29.003 29.700 0.053 0.000 1.677 297 E HN 0.773 nan 8.360 nan 0.000 0.424 298 K N -1.104 119.396 120.400 0.167 0.000 2.477 298 K HA 0.177 4.497 4.320 0.001 0.000 0.208 298 K C 0.271 176.929 176.600 0.098 0.000 1.117 298 K CA 0.293 56.665 56.287 0.143 0.000 1.039 298 K CB 0.422 33.032 32.500 0.182 0.000 0.937 298 K HN 0.192 nan 8.250 nan 0.000 0.570 299 H N -0.280 118.684 119.070 -0.177 0.000 2.893 299 H HA 0.218 4.775 4.556 0.001 0.000 0.270 299 H C 1.242 176.333 175.328 -0.394 0.000 1.095 299 H CA -0.186 55.642 56.048 -0.367 0.000 1.186 299 H CB 0.278 29.688 29.762 -0.588 0.000 1.562 299 H HN -0.056 nan 8.280 nan 0.000 0.536 300 L N 0.125 121.287 121.223 -0.102 0.000 2.353 300 L HA -0.118 4.222 4.340 0.001 0.000 0.220 300 L C 1.196 177.722 176.870 -0.573 0.000 1.133 300 L CA 1.490 56.167 54.840 -0.271 0.000 0.798 300 L CB 0.020 41.946 42.059 -0.221 0.000 0.922 300 L HN 0.321 nan 8.230 nan 0.000 0.445 301 E N -0.763 119.178 120.200 -0.431 0.000 2.498 301 E HA 0.139 4.489 4.350 0.001 0.000 0.203 301 E C 1.585 178.094 176.600 -0.152 0.000 1.013 301 E CA 0.035 56.293 56.400 -0.236 0.000 0.927 301 E CB 0.561 30.201 29.700 -0.101 0.000 1.012 301 E HN 0.495 nan 8.360 nan 0.000 0.482 302 I N -0.491 119.964 120.570 -0.192 0.000 4.139 302 I HA 0.080 4.250 4.170 0.001 0.000 0.335 302 I C 0.762 176.789 176.117 -0.151 0.000 1.327 302 I CA 0.102 61.277 61.300 -0.207 0.000 1.112 302 I CB 0.503 38.281 38.000 -0.369 0.000 1.058 302 I HN 0.040 nan 8.210 nan 0.000 0.396 303 F N 0.273 120.140 119.950 -0.139 0.000 2.637 303 F HA 0.157 4.684 4.527 0.001 0.000 0.284 303 F C 2.451 178.320 175.800 0.114 0.000 1.105 303 F CA 0.420 58.393 58.000 -0.045 0.000 1.356 303 F CB -0.307 38.639 39.000 -0.090 0.000 1.096 303 F HN 0.002 nan 8.300 nan 0.000 0.616 304 H N -0.245 118.992 119.070 0.279 0.000 2.321 304 H HA -0.097 4.459 4.556 0.001 0.000 0.300 304 H C 2.380 177.854 175.328 0.243 0.000 1.087 304 H CA 2.109 58.289 56.048 0.221 0.000 1.319 304 H CB -1.315 28.526 29.762 0.130 0.000 1.379 304 H HN 0.215 nan 8.280 nan 0.000 0.501 305 T N -0.772 113.957 114.554 0.291 0.000 2.833 305 T HA -0.153 4.197 4.350 0.001 0.000 0.269 305 T C 1.967 176.780 174.700 0.190 0.000 1.054 305 T CA 1.597 63.815 62.100 0.195 0.000 1.135 305 T CB 0.045 68.984 68.868 0.119 0.000 0.869 305 T HN 0.182 nan 8.240 nan 0.000 0.466 306 E N 0.822 121.161 120.200 0.231 0.000 2.046 306 E HA 0.008 4.358 4.350 0.001 0.000 0.190 306 E C 1.720 178.459 176.600 0.232 0.000 0.982 306 E CA 0.633 57.163 56.400 0.217 0.000 0.800 306 E CB -0.851 29.012 29.700 0.272 0.000 0.756 306 E HN 0.501 nan 8.360 nan 0.000 0.449 307 F N 1.505 121.552 119.950 0.163 0.000 2.087 307 F HA -0.300 4.227 4.527 0.001 0.000 0.299 307 F C 2.338 178.192 175.800 0.090 0.000 1.100 307 F CA 2.426 60.511 58.000 0.142 0.000 1.226 307 F CB -0.756 38.361 39.000 0.196 0.000 0.983 307 F HN 0.151 nan 8.300 nan 0.000 0.479 308 Q N 1.099 120.962 119.800 0.106 0.000 2.045 308 Q HA -0.246 4.094 4.340 0.001 0.000 0.206 308 Q C 1.939 177.854 176.000 -0.141 0.000 0.991 308 Q CA 2.427 58.189 55.803 -0.069 0.000 0.851 308 Q CB -0.820 27.964 28.738 0.078 0.000 0.911 308 Q HN 0.478 nan 8.270 nan 0.000 0.418 309 N N -0.067 118.612 118.700 -0.035 0.000 2.149 309 N HA -0.140 4.601 4.740 0.001 0.000 0.188 309 N C 1.674 177.135 175.510 -0.081 0.000 1.019 309 N CA 1.286 54.316 53.050 -0.035 0.000 0.857 309 N CB -0.315 38.181 38.487 0.016 0.000 0.997 309 N HN 0.337 nan 8.380 nan 0.000 0.426 310 L N 0.476 121.633 121.223 -0.109 0.000 2.353 310 L HA -0.077 4.264 4.340 0.001 0.000 0.220 310 L C 1.973 178.716 176.870 -0.211 0.000 1.133 310 L CA 0.554 55.315 54.840 -0.132 0.000 0.798 310 L CB -0.239 41.749 42.059 -0.118 0.000 0.922 310 L HN 0.146 nan 8.230 nan 0.000 0.445 311 L N -1.202 119.829 121.223 -0.321 0.000 2.253 311 L HA -0.047 4.294 4.340 0.001 0.000 0.205 311 L C 1.936 178.700 176.870 -0.177 0.000 1.078 311 L CA 0.518 55.137 54.840 -0.368 0.000 0.805 311 L CB -0.288 41.263 42.059 -0.847 0.000 0.963 311 L HN 0.163 nan 8.230 nan 0.000 0.459 312 D N 0.720 121.040 120.400 -0.134 0.000 2.269 312 D HA 0.021 4.661 4.640 0.001 0.000 0.208 312 D C 0.743 177.041 176.300 -0.003 0.000 0.963 312 D CA 0.636 54.632 54.000 -0.007 0.000 0.864 312 D CB 0.282 41.079 40.800 -0.004 0.000 0.936 312 D HN 0.216 nan 8.370 nan 0.000 0.505 313 A N 0.684 123.482 122.820 -0.036 0.000 2.331 313 A HA 0.265 4.585 4.320 0.001 0.000 0.320 313 A C -0.077 177.478 177.584 -0.049 0.000 1.138 313 A CA -0.670 51.349 52.037 -0.029 0.000 0.790 313 A CB 1.108 20.093 19.000 -0.025 0.000 1.206 313 A HN -0.194 nan 8.150 nan 0.000 0.470 314 D N 2.056 122.428 120.400 -0.047 0.000 2.652 314 D HA 0.008 4.648 4.640 0.001 0.000 0.247 314 D C -0.161 176.094 176.300 -0.074 0.000 1.232 314 D CA 0.511 54.468 54.000 -0.071 0.000 0.863 314 D CB 0.134 40.887 40.800 -0.079 0.000 1.023 314 D HN 0.454 nan 8.370 nan 0.000 0.474 315 K N 0.848 121.209 120.400 -0.065 0.000 2.146 315 K HA 0.050 4.370 4.320 0.001 0.000 0.220 315 K C 0.589 177.144 176.600 -0.074 0.000 1.227 315 K CA -0.008 56.246 56.287 -0.055 0.000 1.185 315 K CB -0.476 32.004 32.500 -0.034 0.000 1.333 315 K HN 0.156 nan 8.250 nan 0.000 0.242 316 N N 1.298 119.944 118.700 -0.090 0.000 2.485 316 N HA -0.093 4.648 4.740 0.001 0.000 0.199 316 N C 0.920 176.355 175.510 -0.124 0.000 1.236 316 N CA 0.099 53.078 53.050 -0.118 0.000 0.852 316 N CB 0.286 38.697 38.487 -0.127 0.000 1.018 316 N HN 0.461 nan 8.380 nan 0.000 0.457 317 E N 0.203 120.353 120.200 -0.084 0.000 2.541 317 E HA -0.014 4.336 4.350 0.001 0.000 0.219 317 E C 0.050 176.619 176.600 -0.052 0.000 0.922 317 E CA 0.161 56.519 56.400 -0.071 0.000 1.095 317 E CB 0.468 30.140 29.700 -0.047 0.000 1.112 317 E HN 0.224 nan 8.360 nan 0.000 0.516 318 D N 0.578 120.953 120.400 -0.042 0.000 2.269 318 D HA -0.021 4.619 4.640 0.001 0.000 0.208 318 D C 1.834 178.131 176.300 -0.004 0.000 0.963 318 D CA 0.654 54.650 54.000 -0.007 0.000 0.864 318 D CB 0.291 41.095 40.800 0.007 0.000 0.936 318 D HN 0.190 nan 8.370 nan 0.000 0.505 319 L N -0.160 121.030 121.223 -0.056 0.000 2.162 319 L HA 0.131 4.472 4.340 0.001 0.000 0.205 319 L C 2.483 179.310 176.870 -0.070 0.000 1.086 319 L CA 0.819 55.633 54.840 -0.042 0.000 0.778 319 L CB -0.489 41.435 42.059 -0.226 0.000 0.928 319 L HN 0.108 nan 8.230 nan 0.000 0.446 320 G N 0.482 109.202 108.800 -0.135 0.000 2.421 320 G HA2 -0.241 3.719 3.960 0.001 0.000 0.216 320 G HA3 -0.241 3.719 3.960 0.001 0.000 0.216 320 G C 1.695 176.609 174.900 0.023 0.000 1.171 320 G CA 0.491 45.547 45.100 -0.072 0.000 0.775 320 G HN 0.289 nan 8.290 nan 0.000 0.543 321 R N -0.718 119.775 120.500 -0.011 0.000 2.115 321 R HA 0.069 4.409 4.340 0.001 0.000 0.230 321 R C 2.428 178.691 176.300 -0.062 0.000 1.111 321 R CA 1.327 57.411 56.100 -0.027 0.000 0.976 321 R CB -0.395 29.895 30.300 -0.018 0.000 0.870 321 R HN 0.415 nan 8.270 nan 0.000 0.445 322 M N 0.143 119.723 119.600 -0.034 0.000 2.117 322 M HA -0.206 4.275 4.480 0.001 0.000 0.262 322 M C 1.966 178.235 176.300 -0.052 0.000 1.065 322 M CA 1.620 56.860 55.300 -0.100 0.000 1.114 322 M CB -0.411 32.263 32.600 0.123 0.000 1.361 322 M HN 0.134 nan 8.290 nan 0.000 0.408 323 Y N 0.749 121.022 120.300 -0.045 0.000 2.133 323 Y HA -0.163 4.387 4.550 0.000 0.000 0.287 323 Y C 2.062 177.902 175.900 -0.100 0.000 1.134 323 Y CA 2.082 60.150 58.100 -0.054 0.000 1.133 323 Y CB -0.678 37.771 38.460 -0.018 0.000 0.987 323 Y HN 0.368 nan 8.280 nan 0.000 0.502 324 N N 0.397 118.988 118.700 -0.180 0.000 2.216 324 N HA -0.140 4.600 4.740 0.001 0.000 0.183 324 N C 2.053 177.391 175.510 -0.286 0.000 1.017 324 N CA 1.353 54.206 53.050 -0.327 0.000 0.861 324 N CB -0.477 37.934 38.487 -0.126 0.000 0.986 324 N HN 0.388 nan 8.380 nan 0.000 0.428 325 L N 0.767 121.869 121.223 -0.202 0.000 1.956 325 L HA -0.193 4.147 4.340 0.001 0.000 0.216 325 L C 2.198 178.964 176.870 -0.174 0.000 1.073 325 L CA 1.281 56.020 54.840 -0.167 0.000 0.762 325 L CB -0.706 41.244 42.059 -0.181 0.000 0.889 325 L HN -0.023 nan 8.230 nan 0.000 0.433 326 V N -1.026 118.764 119.914 -0.208 0.000 2.720 326 V HA -0.216 3.904 4.120 0.001 0.000 0.256 326 V C 2.474 178.453 176.094 -0.191 0.000 1.082 326 V CA 1.570 63.787 62.300 -0.139 0.000 1.101 326 V CB -0.405 31.363 31.823 -0.092 0.000 0.693 326 V HN 0.391 nan 8.190 nan 0.000 0.479 327 S N 0.136 115.609 115.700 -0.377 0.000 2.374 327 S HA -0.256 4.215 4.470 0.001 0.000 0.227 327 S C 2.087 176.545 174.600 -0.237 0.000 1.037 327 S CA 1.763 59.679 58.200 -0.474 0.000 1.024 327 S CB -0.306 62.447 63.200 -0.746 0.000 0.861 327 S HN 0.596 nan 8.310 nan 0.000 0.456 328 R N 0.608 120.996 120.500 -0.187 0.000 2.088 328 R HA -0.034 4.306 4.340 0.001 0.000 0.232 328 R C 0.564 176.819 176.300 -0.074 0.000 1.136 328 R CA 0.834 56.866 56.100 -0.114 0.000 0.926 328 R CB -0.581 29.661 30.300 -0.098 0.000 0.837 328 R HN 0.281 nan 8.270 nan 0.000 0.429 329 I N 2.933 123.469 120.570 -0.057 0.000 2.826 329 I HA -0.124 4.046 4.170 0.001 0.000 0.295 329 I C 0.773 176.878 176.117 -0.020 0.000 1.213 329 I CA 0.667 61.952 61.300 -0.025 0.000 1.436 329 I CB -0.307 37.694 38.000 0.001 0.000 1.348 329 I HN 0.362 nan 8.210 nan 0.000 0.570 330 Q N 5.834 125.628 119.800 -0.010 0.000 2.364 330 Q HA -0.026 4.314 4.340 0.001 0.000 0.267 330 Q C 0.173 176.179 176.000 0.009 0.000 0.999 330 Q CA 0.065 55.866 55.803 -0.003 0.000 0.886 330 Q CB 0.495 29.232 28.738 -0.001 0.000 1.243 330 Q HN 0.630 nan 8.270 nan 0.000 0.415 331 D N 1.758 122.166 120.400 0.014 0.000 2.983 331 D HA -0.218 4.422 4.640 0.001 0.000 0.225 331 D C 0.695 177.016 176.300 0.035 0.000 1.174 331 D CA 0.791 54.805 54.000 0.023 0.000 0.831 331 D CB -1.066 39.746 40.800 0.020 0.000 1.104 331 D HN 0.860 nan 8.370 nan 0.000 0.421 332 G N 0.344 109.163 108.800 0.032 0.000 2.414 332 G HA2 -0.156 3.805 3.960 0.001 0.000 0.215 332 G HA3 -0.156 3.805 3.960 0.001 0.000 0.215 332 G C 1.600 176.543 174.900 0.071 0.000 1.188 332 G CA 0.391 45.519 45.100 0.047 0.000 0.783 332 G HN 0.260 nan 8.290 nan 0.000 0.537 333 L N 1.848 123.128 121.223 0.095 0.000 2.201 333 L HA 0.030 4.370 4.340 0.001 0.000 0.212 333 L C 3.087 180.010 176.870 0.089 0.000 1.105 333 L CA 1.418 56.380 54.840 0.203 0.000 0.775 333 L CB -1.918 40.405 42.059 0.440 0.000 0.913 333 L HN 0.312 nan 8.230 nan 0.000 0.440 334 G N -0.067 108.755 108.800 0.037 0.000 2.745 334 G HA2 -0.365 3.595 3.960 0.001 0.000 0.225 334 G HA3 -0.365 3.595 3.960 0.001 0.000 0.225 334 G C 1.599 176.430 174.900 -0.116 0.000 1.108 334 G CA 1.351 46.430 45.100 -0.035 0.000 0.749 334 G HN 0.354 nan 8.290 nan 0.000 0.625 335 E N -0.306 119.803 120.200 -0.153 0.000 2.099 335 E HA 0.201 4.551 4.350 0.001 0.000 0.191 335 E C 2.764 179.158 176.600 -0.342 0.000 0.962 335 E CA 0.049 56.279 56.400 -0.284 0.000 0.826 335 E CB -0.461 28.938 29.700 -0.501 0.000 0.788 335 E HN 0.421 nan 8.360 nan 0.000 0.461 336 L N 0.921 121.927 121.223 -0.363 0.000 2.127 336 L HA -0.162 4.178 4.340 0.001 0.000 0.211 336 L C 2.388 178.937 176.870 -0.534 0.000 1.089 336 L CA 1.281 55.771 54.840 -0.583 0.000 0.757 336 L CB -0.471 41.233 42.059 -0.592 0.000 0.899 336 L HN 0.090 nan 8.230 nan 0.000 0.434 337 K N 0.667 120.693 120.400 -0.624 0.000 2.362 337 K HA -0.143 4.178 4.320 0.001 0.000 0.200 337 K C 1.897 178.176 176.600 -0.535 0.000 1.046 337 K CA 1.077 56.757 56.287 -1.011 0.000 0.952 337 K CB 0.195 32.309 32.500 -0.645 0.000 0.753 337 K HN 0.296 nan 8.250 nan 0.000 0.466 338 K N -0.365 119.838 120.400 -0.329 0.000 2.308 338 K HA 0.024 4.345 4.320 0.001 0.000 0.197 338 K C 1.706 178.234 176.600 -0.120 0.000 1.049 338 K CA 0.021 56.187 56.287 -0.201 0.000 0.991 338 K CB 0.225 32.632 32.500 -0.156 0.000 0.836 338 K HN -0.005 nan 8.250 nan 0.000 0.500 339 L N 0.927 122.102 121.223 -0.081 0.000 2.072 339 L HA -0.065 4.275 4.340 0.001 0.000 0.205 339 L C 1.999 178.981 176.870 0.187 0.000 1.079 339 L CA 1.248 56.153 54.840 0.108 0.000 0.752 339 L CB -0.363 41.861 42.059 0.276 0.000 0.906 339 L HN 0.091 nan 8.230 nan 0.000 0.436 340 L N -0.977 120.337 121.223 0.152 0.000 2.156 340 L HA -0.097 4.243 4.340 0.001 0.000 0.208 340 L C 2.454 179.306 176.870 -0.031 0.000 1.095 340 L CA 1.425 56.336 54.840 0.119 0.000 0.770 340 L CB -0.651 41.405 42.059 -0.005 0.000 0.914 340 L HN 0.277 nan 8.230 nan 0.000 0.439 341 E N -0.435 119.683 120.200 -0.137 0.000 2.023 341 E HA -0.222 4.128 4.350 0.001 0.000 0.196 341 E C 1.922 178.491 176.600 -0.052 0.000 1.003 341 E CA 2.271 58.592 56.400 -0.133 0.000 0.809 341 E CB -0.339 29.256 29.700 -0.174 0.000 0.755 341 E HN 0.483 nan 8.360 nan 0.000 0.449 342 T N -0.256 114.287 114.554 -0.019 0.000 2.951 342 T HA -0.117 4.234 4.350 0.001 0.000 0.268 342 T C 1.570 176.308 174.700 0.063 0.000 1.073 342 T CA 1.280 63.402 62.100 0.038 0.000 1.134 342 T CB -0.388 68.498 68.868 0.030 0.000 0.884 342 T HN 0.354 nan 8.240 nan 0.000 0.479 343 H N 2.072 121.117 119.070 -0.041 0.000 2.270 343 H HA -0.068 4.488 4.556 0.001 0.000 0.299 343 H C 2.057 177.256 175.328 -0.216 0.000 1.077 343 H CA 2.003 57.995 56.048 -0.092 0.000 1.294 343 H CB -0.465 29.250 29.762 -0.078 0.000 1.371 343 H HN 0.424 nan 8.280 nan 0.000 0.491 344 I N -0.978 119.306 120.570 -0.477 0.000 2.353 344 I HA -0.074 4.096 4.170 0.001 0.000 0.248 344 I C 2.374 178.191 176.117 -0.499 0.000 1.119 344 I CA 1.976 62.729 61.300 -0.912 0.000 1.417 344 I CB -1.265 36.229 38.000 -0.844 0.000 1.078 344 I HN 0.315 nan 8.210 nan 0.000 0.421 345 H N 1.756 120.672 119.070 -0.257 0.000 2.362 345 H HA -0.242 4.315 4.556 0.001 0.000 0.294 345 H C 1.975 177.142 175.328 -0.267 0.000 1.113 345 H CA 2.470 58.471 56.048 -0.078 0.000 1.253 345 H CB -0.502 29.244 29.762 -0.027 0.000 1.363 345 H HN 0.434 nan 8.280 nan 0.000 0.494 346 N N -0.200 118.189 118.700 -0.520 0.000 2.022 346 N HA -0.151 4.590 4.740 0.001 0.000 0.194 346 N C 1.910 177.083 175.510 -0.561 0.000 1.057 346 N CA 1.422 54.157 53.050 -0.525 0.000 0.849 346 N CB -0.332 37.952 38.487 -0.338 0.000 1.044 346 N HN 0.464 nan 8.380 nan 0.000 0.424 347 Q N 0.301 119.763 119.800 -0.563 0.000 2.124 347 Q HA -0.191 4.149 4.340 0.001 0.000 0.215 347 Q C 2.042 177.711 176.000 -0.552 0.000 1.015 347 Q CA 2.039 57.578 55.803 -0.439 0.000 0.890 347 Q CB -1.331 27.213 28.738 -0.323 0.000 0.966 347 Q HN 0.500 nan 8.270 nan 0.000 0.412 348 G N 0.822 109.046 108.800 -0.961 0.000 2.484 348 G HA2 -0.229 3.731 3.960 0.001 0.000 0.215 348 G HA3 -0.229 3.731 3.960 0.001 0.000 0.215 348 G C 1.508 175.773 174.900 -1.059 0.000 1.219 348 G CA 0.695 44.803 45.100 -1.653 0.000 0.791 348 G HN 0.334 nan 8.290 nan 0.000 0.550 349 L N 0.733 121.415 121.223 -0.902 0.000 2.351 349 L HA -0.101 4.239 4.340 0.001 0.000 0.220 349 L C 2.996 179.673 176.870 -0.322 0.000 1.127 349 L CA 0.900 55.462 54.840 -0.462 0.000 0.786 349 L CB -0.067 41.699 42.059 -0.489 0.000 0.914 349 L HN 0.365 nan 8.230 nan 0.000 0.443 350 A N -1.505 121.103 122.820 -0.354 0.000 2.063 350 A HA 0.203 4.524 4.320 0.001 0.000 0.211 350 A C 2.260 179.725 177.584 -0.198 0.000 1.177 350 A CA 0.824 52.723 52.037 -0.229 0.000 0.759 350 A CB -0.191 18.683 19.000 -0.210 0.000 0.857 350 A HN 0.373 nan 8.150 nan 0.000 0.468 351 A N 0.338 123.003 122.820 -0.259 0.000 1.984 351 A HA 0.194 4.514 4.320 0.001 0.000 0.214 351 A C 1.956 179.456 177.584 -0.140 0.000 1.173 351 A CA 1.124 53.062 52.037 -0.166 0.000 0.673 351 A CB -0.573 18.319 19.000 -0.179 0.000 0.830 351 A HN 0.884 nan 8.150 nan 0.000 0.453 352 I N -2.206 118.261 120.570 -0.171 0.000 2.353 352 I HA -0.072 4.099 4.170 0.001 0.000 0.248 352 I C 1.765 177.841 176.117 -0.068 0.000 1.119 352 I CA 2.011 63.239 61.300 -0.120 0.000 1.417 352 I CB -0.538 37.380 38.000 -0.137 0.000 1.078 352 I HN 0.152 nan 8.210 nan 0.000 0.421 353 E N 1.692 121.841 120.200 -0.085 0.000 2.130 353 E HA -0.234 4.117 4.350 0.001 0.000 0.196 353 E C 1.901 178.475 176.600 -0.043 0.000 0.998 353 E CA 1.245 57.612 56.400 -0.055 0.000 0.806 353 E CB -0.040 29.615 29.700 -0.075 0.000 0.738 353 E HN 0.526 nan 8.360 nan 0.000 0.459 354 K N 0.428 120.796 120.400 -0.054 0.000 1.985 354 K HA -0.115 4.205 4.320 0.001 0.000 0.210 354 K C 2.497 179.082 176.600 -0.026 0.000 1.047 354 K CA 1.192 57.455 56.287 -0.040 0.000 0.932 354 K CB -1.467 31.005 32.500 -0.046 0.000 0.716 354 K HN 0.217 nan 8.250 nan 0.000 0.439 355 C N -0.324 118.961 119.300 -0.025 0.000 2.336 355 C HA -0.174 4.287 4.460 0.001 0.000 0.275 355 C C 2.295 177.287 174.990 0.003 0.000 1.175 355 C CA 1.681 60.694 59.018 -0.009 0.000 1.771 355 C CB -1.399 26.340 27.740 -0.002 0.000 2.030 355 C HN 0.762 nan 8.230 nan 0.000 0.442 356 G N -0.255 108.552 108.800 0.012 0.000 4.754 356 G HA2 -0.422 3.539 3.960 0.001 0.000 0.222 356 G HA3 -0.422 3.539 3.960 0.001 0.000 0.222 356 G C 0.924 175.837 174.900 0.022 0.000 1.377 356 G CA 1.337 46.447 45.100 0.018 0.000 0.942 356 G HN 0.564 nan 8.290 nan 0.000 0.671 357 E N 0.295 120.504 120.200 0.015 0.000 2.441 357 E HA 0.642 4.992 4.350 0.001 0.000 0.212 357 E C 2.461 179.068 176.600 0.011 0.000 0.840 357 E CA 1.547 57.953 56.400 0.010 0.000 1.143 357 E CB -0.134 29.569 29.700 0.004 0.000 1.153 357 E HN 0.889 nan 8.360 nan 0.000 0.539 358 A N 1.535 124.363 122.820 0.012 0.000 1.821 358 A HA 0.061 4.381 4.320 0.001 0.000 0.215 358 A C 2.474 180.072 177.584 0.024 0.000 1.214 358 A CA 1.967 54.011 52.037 0.012 0.000 0.608 358 A CB -1.421 17.584 19.000 0.008 0.000 0.862 358 A HN 0.361 nan 8.150 nan 0.000 0.448 359 A N -0.386 122.460 122.820 0.044 0.000 1.929 359 A HA -0.270 4.050 4.320 0.001 0.000 0.221 359 A C 2.129 179.760 177.584 0.079 0.000 1.211 359 A CA 2.328 54.422 52.037 0.095 0.000 0.657 359 A CB -1.055 18.036 19.000 0.152 0.000 0.827 359 A HN 1.160 nan 8.150 nan 0.000 0.462 360 L N -0.498 120.756 121.223 0.051 0.000 2.211 360 L HA -0.205 4.135 4.340 0.001 0.000 0.216 360 L C 1.276 178.124 176.870 -0.036 0.000 1.092 360 L CA 2.719 57.559 54.840 -0.000 0.000 0.767 360 L CB -0.520 41.540 42.059 0.001 0.000 0.894 360 L HN 0.574 nan 8.230 nan 0.000 0.437 361 N N -1.443 117.247 118.700 -0.017 0.000 2.240 361 N HA 0.083 4.823 4.740 0.001 0.000 0.240 361 N C -0.958 174.542 175.510 -0.016 0.000 1.277 361 N CA -0.115 52.919 53.050 -0.027 0.000 0.873 361 N CB 0.214 38.691 38.487 -0.018 0.000 1.222 361 N HN 0.272 nan 8.380 nan 0.000 0.507 362 D N 0.183 120.580 120.400 -0.005 0.000 2.408 362 D HA 0.280 4.920 4.640 0.001 0.000 0.261 362 D C -2.061 174.239 176.300 -0.000 0.000 1.190 362 D CA -1.858 52.141 54.000 -0.002 0.000 0.910 362 D CB 1.851 42.652 40.800 0.002 0.000 1.097 362 D HN 0.019 nan 8.370 nan 0.000 0.522 363 P HA -0.150 nan 4.420 nan 0.000 0.215 363 P C 1.418 178.590 177.300 -0.213 0.000 1.157 363 P CA 1.204 64.285 63.100 -0.031 0.000 0.868 363 P CB 0.425 32.145 31.700 0.033 0.000 0.788 364 K N -0.659 119.560 120.400 -0.302 0.000 2.044 364 K HA -0.207 4.114 4.320 0.001 0.000 0.210 364 K C 2.138 178.537 176.600 -0.335 0.000 1.049 364 K CA 1.779 57.725 56.287 -0.569 0.000 0.927 364 K CB -0.629 31.732 32.500 -0.233 0.000 0.713 364 K HN 0.029 nan 8.250 nan 0.000 0.443 365 M N -0.185 119.333 119.600 -0.137 0.000 2.084 365 M HA -0.242 4.238 4.480 0.001 0.000 0.259 365 M C 2.104 178.382 176.300 -0.036 0.000 1.072 365 M CA 1.974 57.236 55.300 -0.065 0.000 1.107 365 M CB -0.451 32.138 32.600 -0.018 0.000 1.299 365 M HN 0.298 nan 8.290 nan 0.000 0.413 366 Y N 0.791 121.034 120.300 -0.095 0.000 2.014 366 Y HA -0.312 4.239 4.550 0.000 0.000 0.272 366 Y C 1.975 177.852 175.900 -0.038 0.000 1.164 366 Y CA 2.580 60.652 58.100 -0.047 0.000 1.114 366 Y CB -0.986 37.457 38.460 -0.029 0.000 0.961 366 Y HN 0.101 nan 8.280 nan 0.000 0.489 367 V N 0.821 120.822 119.914 0.145 0.000 2.332 367 V HA -0.337 3.783 4.120 0.001 0.000 0.248 367 V C 2.489 178.561 176.094 -0.038 0.000 1.055 367 V CA 2.222 64.566 62.300 0.072 0.000 1.038 367 V CB -0.780 31.114 31.823 0.119 0.000 0.651 367 V HN 0.481 nan 8.190 nan 0.000 0.450 368 Q N -0.249 119.481 119.800 -0.116 0.000 2.020 368 Q HA -0.180 4.161 4.340 0.001 0.000 0.202 368 Q C 2.455 178.438 176.000 -0.029 0.000 0.982 368 Q CA 2.268 58.042 55.803 -0.049 0.000 0.838 368 Q CB -0.863 27.830 28.738 -0.076 0.000 0.899 368 Q HN 0.605 nan 8.270 nan 0.000 0.423 369 T N 0.993 115.504 114.554 -0.071 0.000 2.778 369 T HA -0.113 4.237 4.350 0.001 0.000 0.269 369 T C 1.963 176.637 174.700 -0.044 0.000 1.050 369 T CA 1.261 63.320 62.100 -0.068 0.000 1.137 369 T CB -0.114 68.690 68.868 -0.106 0.000 0.860 369 T HN 0.044 nan 8.240 nan 0.000 0.468 370 V N 0.990 120.866 119.914 -0.063 0.000 2.323 370 V HA -0.014 4.107 4.120 0.001 0.000 0.244 370 V C 2.327 178.513 176.094 0.153 0.000 1.041 370 V CA 1.266 63.601 62.300 0.059 0.000 1.025 370 V CB -0.493 31.299 31.823 -0.051 0.000 0.656 370 V HN 0.433 nan 8.190 nan 0.000 0.451 371 L N 0.077 121.372 121.223 0.119 0.000 2.633 371 L HA -0.127 4.214 4.340 0.001 0.000 0.235 371 L C 1.778 178.755 176.870 0.178 0.000 1.163 371 L CA 0.771 55.718 54.840 0.178 0.000 0.859 371 L CB -0.418 41.737 42.059 0.161 0.000 0.973 371 L HN 0.405 nan 8.230 nan 0.000 0.451 372 D N -1.018 119.457 120.400 0.126 0.000 2.214 372 D HA -0.087 4.554 4.640 0.001 0.000 0.217 372 D C 2.250 178.619 176.300 0.115 0.000 0.973 372 D CA 0.781 54.834 54.000 0.089 0.000 0.880 372 D CB -0.041 40.781 40.800 0.037 0.000 1.031 372 D HN -0.072 nan 8.370 nan 0.000 0.468 373 V N 0.754 120.751 119.914 0.139 0.000 2.392 373 V HA -0.272 3.848 4.120 0.001 0.000 0.249 373 V C 2.246 178.530 176.094 0.317 0.000 1.059 373 V CA 1.924 64.345 62.300 0.201 0.000 1.051 373 V CB -0.570 31.312 31.823 0.099 0.000 0.658 373 V HN 0.303 nan 8.190 nan 0.000 0.455 374 H N 0.355 119.566 119.070 0.235 0.000 2.333 374 H HA -0.048 4.508 4.556 0.001 0.000 0.302 374 H C 2.183 177.616 175.328 0.175 0.000 1.075 374 H CA 1.548 57.719 56.048 0.204 0.000 1.348 374 H CB 0.093 29.948 29.762 0.154 0.000 1.393 374 H HN 0.118 nan 8.280 nan 0.000 0.509 375 K N 0.438 120.893 120.400 0.092 0.000 2.366 375 K HA -0.055 4.265 4.320 0.001 0.000 0.198 375 K C 2.028 178.608 176.600 -0.033 0.000 1.044 375 K CA 0.809 57.111 56.287 0.024 0.000 0.973 375 K CB 0.160 32.733 32.500 0.121 0.000 0.767 375 K HN 0.303 nan 8.250 nan 0.000 0.475 376 K N 0.048 120.437 120.400 -0.019 0.000 2.007 376 K HA -0.112 4.208 4.320 0.001 0.000 0.206 376 K C 1.599 178.085 176.600 -0.190 0.000 1.047 376 K CA 1.543 57.761 56.287 -0.114 0.000 0.937 376 K CB -0.351 32.061 32.500 -0.147 0.000 0.718 376 K HN 0.020 nan 8.250 nan 0.000 0.438 377 Y N 0.751 121.036 120.300 -0.026 0.000 2.510 377 Y HA 0.164 4.714 4.550 0.001 0.000 0.273 377 Y C 2.083 177.981 175.900 -0.003 0.000 1.119 377 Y CA 0.755 58.871 58.100 0.026 0.000 1.286 377 Y CB -0.003 38.493 38.460 0.060 0.000 1.061 377 Y HN 0.330 nan 8.280 nan 0.000 0.542 378 N N 0.393 119.081 118.700 -0.020 0.000 2.106 378 N HA -0.186 4.554 4.740 0.001 0.000 0.188 378 N C 2.002 177.513 175.510 0.003 0.000 1.029 378 N CA 1.071 54.073 53.050 -0.081 0.000 0.848 378 N CB -0.075 38.230 38.487 -0.303 0.000 1.007 378 N HN 0.292 nan 8.380 nan 0.000 0.423 379 A N 1.557 124.362 122.820 -0.025 0.000 2.125 379 A HA -0.057 4.263 4.320 0.001 0.000 0.219 379 A C 2.160 179.735 177.584 -0.016 0.000 1.156 379 A CA 0.479 52.505 52.037 -0.018 0.000 0.671 379 A CB -0.497 18.480 19.000 -0.037 0.000 0.794 379 A HN 0.479 nan 8.150 nan 0.000 0.459 380 L N -0.483 120.743 121.223 0.006 0.000 2.044 380 L HA -0.088 4.253 4.340 0.001 0.000 0.205 380 L C 2.339 179.277 176.870 0.112 0.000 1.075 380 L CA 1.354 56.200 54.840 0.011 0.000 0.747 380 L CB -0.262 41.847 42.059 0.083 0.000 0.903 380 L HN 0.244 nan 8.230 nan 0.000 0.435 381 V N 0.260 120.348 119.914 0.291 0.000 2.343 381 V HA -0.337 3.784 4.120 0.001 0.000 0.247 381 V C 2.584 178.772 176.094 0.158 0.000 1.051 381 V CA 2.041 64.572 62.300 0.386 0.000 1.036 381 V CB -0.432 31.571 31.823 0.301 0.000 0.654 381 V HN 0.437 nan 8.190 nan 0.000 0.451 382 M N -0.543 119.107 119.600 0.084 0.000 2.175 382 M HA -0.125 4.355 4.480 0.001 0.000 0.264 382 M C 2.289 178.588 176.300 -0.002 0.000 1.063 382 M CA 1.952 57.275 55.300 0.038 0.000 1.119 382 M CB -0.298 32.320 32.600 0.030 0.000 1.377 382 M HN 0.494 nan 8.290 nan 0.000 0.415 383 S N 0.329 116.010 115.700 -0.032 0.000 2.310 383 S HA 0.094 4.565 4.470 0.001 0.000 0.176 383 S C 1.946 176.461 174.600 -0.142 0.000 1.002 383 S CA 0.737 58.891 58.200 -0.076 0.000 1.105 383 S CB -0.433 62.714 63.200 -0.089 0.000 0.852 383 S HN 0.370 nan 8.310 nan 0.000 0.475 384 A N 0.217 122.882 122.820 -0.258 0.000 2.032 384 A HA 0.034 4.354 4.320 0.001 0.000 0.221 384 A C 1.459 178.680 177.584 -0.605 0.000 1.165 384 A CA 1.540 53.309 52.037 -0.446 0.000 0.645 384 A CB -0.867 17.743 19.000 -0.650 0.000 0.807 384 A HN 0.626 nan 8.150 nan 0.000 0.453 385 F N -0.562 119.215 119.950 -0.288 0.000 2.639 385 F HA 0.263 4.790 4.527 0.001 0.000 0.300 385 F C 0.853 176.274 175.800 -0.632 0.000 1.109 385 F CA -0.557 56.994 58.000 -0.748 0.000 1.335 385 F CB -1.059 37.571 39.000 -0.617 0.000 1.014 385 F HN 0.405 nan 8.300 nan 0.000 0.537 386 N N 2.216 120.828 118.700 -0.146 0.000 2.699 386 N HA -0.351 4.389 4.740 0.001 0.000 0.256 386 N C 0.253 175.763 175.510 0.001 0.000 0.993 386 N CA 0.484 53.520 53.050 -0.023 0.000 0.759 386 N CB -0.923 37.617 38.487 0.087 0.000 0.906 386 N HN 0.426 nan 8.380 nan 0.000 0.541 387 N N 0.640 119.351 118.700 0.018 0.000 2.685 387 N HA -0.262 4.479 4.740 0.001 0.000 0.251 387 N C -0.834 174.711 175.510 0.059 0.000 1.020 387 N CA 1.511 54.592 53.050 0.053 0.000 0.762 387 N CB -0.644 37.872 38.487 0.050 0.000 0.958 387 N HN 0.631 nan 8.380 nan 0.000 0.539 388 D N -0.778 119.642 120.400 0.034 0.000 2.412 388 D HA 0.279 4.919 4.640 0.001 0.000 0.257 388 D C 1.335 177.711 176.300 0.127 0.000 1.217 388 D CA 0.532 54.579 54.000 0.079 0.000 0.897 388 D CB 0.543 41.365 40.800 0.037 0.000 1.132 388 D HN 0.346 nan 8.370 nan 0.000 0.493 389 A N 3.679 126.562 122.820 0.106 0.000 2.042 389 A HA -0.126 4.195 4.320 0.001 0.000 0.222 389 A C 2.101 179.744 177.584 0.100 0.000 1.167 389 A CA 1.897 53.989 52.037 0.091 0.000 0.649 389 A CB -0.947 18.092 19.000 0.066 0.000 0.809 389 A HN 0.703 nan 8.150 nan 0.000 0.457 390 G N -1.751 107.136 108.800 0.146 0.000 2.408 390 G HA2 -0.090 3.870 3.960 0.001 0.000 0.217 390 G HA3 -0.090 3.870 3.960 0.001 0.000 0.217 390 G C 1.209 176.157 174.900 0.080 0.000 1.150 390 G CA 0.990 46.168 45.100 0.130 0.000 0.776 390 G HN 0.440 nan 8.290 nan 0.000 0.542 391 F N 0.253 120.143 119.950 -0.099 0.000 2.512 391 F HA 0.161 4.689 4.527 0.000 0.000 0.296 391 F C 2.568 178.316 175.800 -0.087 0.000 1.110 391 F CA -0.156 57.734 58.000 -0.184 0.000 1.446 391 F CB 0.027 38.807 39.000 -0.367 0.000 1.092 391 F HN -0.038 nan 8.300 nan 0.000 0.554 392 V N -0.450 119.540 119.914 0.126 0.000 2.548 392 V HA -0.216 3.905 4.120 0.001 0.000 0.249 392 V C 2.505 178.637 176.094 0.063 0.000 1.055 392 V CA 1.492 63.855 62.300 0.104 0.000 1.065 392 V CB -1.096 30.788 31.823 0.103 0.000 0.681 392 V HN 0.302 nan 8.190 nan 0.000 0.462 393 A N 0.339 123.172 122.820 0.023 0.000 1.858 393 A HA -0.132 4.188 4.320 0.001 0.000 0.216 393 A C 2.495 180.048 177.584 -0.052 0.000 1.190 393 A CA 2.089 54.121 52.037 -0.009 0.000 0.617 393 A CB -0.999 17.983 19.000 -0.031 0.000 0.827 393 A HN 0.551 nan 8.150 nan 0.000 0.443 394 A N -0.163 122.576 122.820 -0.135 0.000 1.896 394 A HA -0.240 4.080 4.320 0.001 0.000 0.220 394 A C 2.260 179.786 177.584 -0.097 0.000 1.206 394 A CA 1.896 53.821 52.037 -0.186 0.000 0.647 394 A CB -0.930 17.852 19.000 -0.363 0.000 0.828 394 A HN 0.598 nan 8.150 nan 0.000 0.455 395 L N -0.709 120.490 121.223 -0.041 0.000 1.971 395 L HA -0.255 4.085 4.340 0.001 0.000 0.215 395 L C 2.230 179.097 176.870 -0.005 0.000 1.072 395 L CA 2.435 57.285 54.840 0.016 0.000 0.758 395 L CB -0.672 41.440 42.059 0.089 0.000 0.889 395 L HN 0.429 nan 8.230 nan 0.000 0.433 396 D N -0.329 120.107 120.400 0.061 0.000 2.123 396 D HA -0.233 4.407 4.640 0.001 0.000 0.196 396 D C 2.098 178.386 176.300 -0.021 0.000 0.992 396 D CA 1.231 55.305 54.000 0.124 0.000 0.833 396 D CB -0.034 40.910 40.800 0.239 0.000 0.954 396 D HN 0.123 nan 8.370 nan 0.000 0.455 397 K N 0.952 121.328 120.400 -0.041 0.000 2.057 397 K HA 0.003 4.323 4.320 0.001 0.000 0.206 397 K C 1.853 178.374 176.600 -0.131 0.000 1.050 397 K CA 1.245 57.486 56.287 -0.077 0.000 0.935 397 K CB -0.503 31.947 32.500 -0.083 0.000 0.715 397 K HN 0.039 nan 8.250 nan 0.000 0.439 398 A N -0.184 122.568 122.820 -0.113 0.000 1.873 398 A HA -0.163 4.157 4.320 0.001 0.000 0.215 398 A C 2.538 180.042 177.584 -0.133 0.000 1.186 398 A CA 1.667 53.686 52.037 -0.031 0.000 0.616 398 A CB -1.178 17.858 19.000 0.060 0.000 0.823 398 A HN 0.464 nan 8.150 nan 0.000 0.442 399 C N -0.899 118.144 119.300 -0.428 0.000 2.413 399 C HA -0.063 4.397 4.460 0.001 0.000 0.276 399 C C 3.004 177.338 174.990 -1.093 0.000 1.248 399 C CA 0.901 59.244 59.018 -1.126 0.000 1.742 399 C CB -1.588 25.343 27.740 -1.348 0.000 2.017 399 C HN 0.712 nan 8.230 nan 0.000 0.481 400 G N 0.006 108.412 108.800 -0.657 0.000 2.418 400 G HA2 -0.177 3.783 3.960 0.001 0.000 0.217 400 G HA3 -0.177 3.783 3.960 0.001 0.000 0.217 400 G C 1.767 176.544 174.900 -0.204 0.000 1.158 400 G CA 0.462 45.402 45.100 -0.267 0.000 0.771 400 G HN 0.443 nan 8.290 nan 0.000 0.545 401 R N 0.492 120.884 120.500 -0.179 0.000 2.080 401 R HA -0.095 4.246 4.340 0.001 0.000 0.236 401 R C 2.376 178.738 176.300 0.102 0.000 1.137 401 R CA 1.543 57.598 56.100 -0.076 0.000 0.943 401 R CB -1.236 28.927 30.300 -0.228 0.000 0.846 401 R HN 0.673 nan 8.270 nan 0.000 0.431 402 F N -1.088 118.936 119.950 0.124 0.000 2.797 402 F HA 0.302 4.830 4.527 0.001 0.000 0.302 402 F C 1.627 177.437 175.800 0.017 0.000 1.130 402 F CA -0.161 57.892 58.000 0.089 0.000 1.387 402 F CB -0.342 38.656 39.000 -0.004 0.000 1.107 402 F HN -0.163 nan 8.300 nan 0.000 0.577 403 I N 0.652 121.064 120.570 -0.263 0.000 3.035 403 I HA -0.084 4.086 4.170 0.001 0.000 0.271 403 I C 1.448 177.624 176.117 0.097 0.000 1.190 403 I CA 0.438 61.667 61.300 -0.118 0.000 1.472 403 I CB -0.308 37.543 38.000 -0.248 0.000 1.116 403 I HN 0.217 nan 8.210 nan 0.000 0.443 404 N N 0.819 119.559 118.700 0.067 0.000 2.392 404 N HA 0.079 4.819 4.740 0.001 0.000 0.177 404 N C -0.093 175.492 175.510 0.125 0.000 1.066 404 N CA 0.456 53.570 53.050 0.107 0.000 0.895 404 N CB 0.413 38.943 38.487 0.071 0.000 0.988 404 N HN 0.303 nan 8.380 nan 0.000 0.457 405 N N 1.176 119.959 118.700 0.139 0.000 2.425 405 N HA 0.219 4.960 4.740 0.001 0.000 0.289 405 N C -1.331 174.282 175.510 0.171 0.000 1.074 405 N CA -0.346 52.788 53.050 0.140 0.000 0.905 405 N CB 2.087 40.643 38.487 0.114 0.000 1.586 405 N HN 0.310 nan 8.380 nan 0.000 0.490 406 N N -1.239 117.549 118.700 0.146 0.000 3.501 406 N HA 0.188 4.928 4.740 0.001 0.000 0.235 406 N C 0.356 175.921 175.510 0.092 0.000 1.442 406 N CA -0.746 52.375 53.050 0.118 0.000 0.872 406 N CB 0.564 39.138 38.487 0.145 0.000 1.414 406 N HN 0.175 nan 8.380 nan 0.000 0.485 407 A N 0.459 123.311 122.820 0.052 0.000 1.985 407 A HA -0.202 4.119 4.320 0.001 0.000 0.223 407 A C 1.936 179.561 177.584 0.069 0.000 1.189 407 A CA 2.693 54.755 52.037 0.042 0.000 0.658 407 A CB -1.061 17.949 19.000 0.016 0.000 0.820 407 A HN 0.454 nan 8.150 nan 0.000 0.464 408 V N 0.108 120.096 119.914 0.123 0.000 2.223 408 V HA -0.262 3.858 4.120 0.001 0.000 0.244 408 V C 2.993 179.141 176.094 0.091 0.000 1.045 408 V CA 2.601 64.990 62.300 0.148 0.000 1.000 408 V CB -1.878 30.149 31.823 0.340 0.000 0.635 408 V HN 0.834 nan 8.190 nan 0.000 0.445 409 T N -1.033 113.591 114.554 0.117 0.000 2.759 409 T HA -0.318 4.033 4.350 0.001 0.000 0.269 409 T C 1.936 176.661 174.700 0.043 0.000 1.042 409 T CA 1.944 64.083 62.100 0.066 0.000 1.140 409 T CB -0.436 68.489 68.868 0.096 0.000 0.864 409 T HN 0.393 nan 8.240 nan 0.000 0.455 410 K N 1.214 121.646 120.400 0.052 0.000 2.020 410 K HA -0.127 4.193 4.320 0.001 0.000 0.212 410 K C 2.421 179.034 176.600 0.021 0.000 1.050 410 K CA 1.947 58.256 56.287 0.036 0.000 0.929 410 K CB -0.566 31.957 32.500 0.037 0.000 0.714 410 K HN 0.541 nan 8.250 nan 0.000 0.443 411 M N 0.353 119.965 119.600 0.020 0.000 2.065 411 M HA -0.174 4.307 4.480 0.001 0.000 0.259 411 M C 2.416 178.712 176.300 -0.005 0.000 1.071 411 M CA 2.072 57.376 55.300 0.008 0.000 1.109 411 M CB -0.526 32.080 32.600 0.009 0.000 1.313 411 M HN 0.225 nan 8.290 nan 0.000 0.408 412 A N -0.954 121.858 122.820 -0.014 0.000 2.172 412 A HA -0.128 4.192 4.320 0.001 0.000 0.216 412 A C 1.098 178.658 177.584 -0.041 0.000 1.154 412 A CA 0.543 52.556 52.037 -0.041 0.000 0.701 412 A CB -0.331 18.630 19.000 -0.066 0.000 0.789 412 A HN 0.645 nan 8.150 nan 0.000 0.465 413 Q N -0.518 119.273 119.800 -0.016 0.000 2.457 413 Q HA -0.168 4.173 4.340 0.001 0.000 0.333 413 Q C -0.455 175.538 176.000 -0.011 0.000 1.448 413 Q CA 1.050 56.848 55.803 -0.008 0.000 0.891 413 Q CB -1.712 27.020 28.738 -0.011 0.000 1.142 413 Q HN 1.292 nan 8.270 nan 0.000 0.375 414 S N -1.390 114.312 115.700 0.004 0.000 2.798 414 S HA 0.230 4.700 4.470 0.001 0.000 0.291 414 S C 0.574 175.201 174.600 0.045 0.000 0.894 414 S CA 0.238 58.450 58.200 0.019 0.000 0.838 414 S CB 0.291 63.485 63.200 -0.010 0.000 1.047 414 S HN 0.248 nan 8.310 nan 0.000 0.482 415 S N 2.458 118.201 115.700 0.073 0.000 2.383 415 S HA -0.090 4.380 4.470 0.001 0.000 0.227 415 S C 2.033 176.702 174.600 0.115 0.000 1.026 415 S CA 1.589 59.847 58.200 0.096 0.000 0.981 415 S CB -0.507 62.755 63.200 0.103 0.000 0.818 415 S HN 1.337 nan 8.310 nan 0.000 0.472 416 S N 1.362 117.146 115.700 0.140 0.000 2.571 416 S HA -0.027 4.444 4.470 0.001 0.000 0.245 416 S C 1.385 176.119 174.600 0.223 0.000 0.976 416 S CA 0.938 59.270 58.200 0.220 0.000 0.954 416 S CB -0.221 63.167 63.200 0.314 0.000 0.756 416 S HN 0.319 nan 8.310 nan 0.000 0.535 417 K N 2.037 122.484 120.400 0.077 0.000 2.007 417 K HA 0.072 4.393 4.320 0.001 0.000 0.206 417 K C 2.252 178.798 176.600 -0.090 0.000 1.047 417 K CA 1.446 57.713 56.287 -0.033 0.000 0.937 417 K CB -0.751 31.680 32.500 -0.114 0.000 0.718 417 K HN 0.310 nan 8.250 nan 0.000 0.438 418 S N 1.553 117.221 115.700 -0.053 0.000 2.401 418 S HA -0.178 4.292 4.470 0.001 0.000 0.236 418 S C -1.074 173.570 174.600 0.074 0.000 1.058 418 S CA 2.155 60.344 58.200 -0.017 0.000 1.151 418 S CB -1.370 61.955 63.200 0.207 0.000 1.049 418 S HN 0.428 nan 8.310 nan 0.000 0.432 419 P HA -0.151 nan 4.420 nan 0.000 0.218 419 P C 1.385 178.864 177.300 0.298 0.000 1.148 419 P CA 1.353 64.653 63.100 0.334 0.000 0.822 419 P CB -0.031 31.917 31.700 0.413 0.000 0.784 420 E N 0.403 120.619 120.200 0.027 0.000 2.023 420 E HA -0.161 4.189 4.350 0.001 0.000 0.196 420 E C 2.264 178.717 176.600 -0.244 0.000 1.003 420 E CA 1.063 57.218 56.400 -0.408 0.000 0.809 420 E CB -0.636 28.725 29.700 -0.566 0.000 0.755 420 E HN 0.124 nan 8.360 nan 0.000 0.449 421 L N 0.809 121.901 121.223 -0.219 0.000 2.129 421 L HA -0.208 4.132 4.340 0.001 0.000 0.212 421 L C 2.673 179.600 176.870 0.095 0.000 1.087 421 L CA 0.760 55.495 54.840 -0.174 0.000 0.757 421 L CB -0.296 41.446 42.059 -0.529 0.000 0.896 421 L HN 0.353 nan 8.230 nan 0.000 0.434 422 L N -1.004 120.350 121.223 0.218 0.000 2.217 422 L HA -0.129 4.211 4.340 0.001 0.000 0.211 422 L C 2.704 179.925 176.870 0.585 0.000 1.107 422 L CA 0.840 55.912 54.840 0.387 0.000 0.783 422 L CB -0.308 41.902 42.059 0.253 0.000 0.919 422 L HN 0.250 nan 8.230 nan 0.000 0.442 423 A N 0.032 123.186 122.820 0.558 0.000 1.841 423 A HA -0.166 4.154 4.320 0.001 0.000 0.214 423 A C 2.256 179.939 177.584 0.166 0.000 1.195 423 A CA 0.974 53.223 52.037 0.352 0.000 0.611 423 A CB -0.407 18.630 19.000 0.060 0.000 0.835 423 A HN 0.257 nan 8.150 nan 0.000 0.443 424 R N -1.448 119.091 120.500 0.066 0.000 2.105 424 R HA -0.175 4.165 4.340 0.001 0.000 0.239 424 R C 2.082 178.470 176.300 0.146 0.000 1.135 424 R CA 1.568 57.687 56.100 0.031 0.000 0.967 424 R CB -0.977 29.306 30.300 -0.028 0.000 0.861 424 R HN 0.813 nan 8.270 nan 0.000 0.442 425 Y N 1.123 121.459 120.300 0.060 0.000 2.049 425 Y HA -0.375 4.175 4.550 0.001 0.000 0.277 425 Y C 2.696 178.641 175.900 0.076 0.000 1.143 425 Y CA 1.472 59.621 58.100 0.081 0.000 1.115 425 Y CB -0.281 38.255 38.460 0.127 0.000 0.975 425 Y HN 0.031 nan 8.280 nan 0.000 0.487 426 C N 0.588 119.911 119.300 0.038 0.000 2.375 426 C HA -0.285 4.175 4.460 0.001 0.000 0.274 426 C C 2.376 177.308 174.990 -0.096 0.000 1.190 426 C CA 1.704 60.685 59.018 -0.062 0.000 1.775 426 C CB -1.423 26.415 27.740 0.163 0.000 2.067 426 C HN 0.722 nan 8.230 nan 0.000 0.463 427 D N 0.253 120.590 120.400 -0.106 0.000 2.084 427 D HA -0.140 4.500 4.640 0.001 0.000 0.194 427 D C 2.241 178.515 176.300 -0.043 0.000 0.990 427 D CA 1.741 55.663 54.000 -0.131 0.000 0.826 427 D CB -0.274 40.452 40.800 -0.124 0.000 0.971 427 D HN 0.366 nan 8.370 nan 0.000 0.453 428 S N -1.281 114.436 115.700 0.028 0.000 2.440 428 S HA -0.099 4.371 4.470 0.001 0.000 0.240 428 S C 1.860 176.489 174.600 0.048 0.000 1.014 428 S CA 0.803 59.044 58.200 0.067 0.000 0.980 428 S CB -0.274 63.021 63.200 0.159 0.000 0.775 428 S HN 0.321 nan 8.310 nan 0.000 0.499 429 L N -0.122 121.097 121.223 -0.007 0.000 2.354 429 L HA 0.250 4.590 4.340 0.001 0.000 0.212 429 L C 1.349 178.200 176.870 -0.032 0.000 1.091 429 L CA 0.505 55.318 54.840 -0.045 0.000 0.828 429 L CB -0.002 41.952 42.059 -0.175 0.000 0.973 429 L HN 0.281 nan 8.230 nan 0.000 0.461 430 L N -0.986 120.212 121.223 -0.041 0.000 2.728 430 L HA 0.163 4.504 4.340 0.001 0.000 0.238 430 L C 0.409 177.265 176.870 -0.024 0.000 1.143 430 L CA 0.013 54.838 54.840 -0.025 0.000 0.937 430 L CB 0.036 42.075 42.059 -0.033 0.000 1.225 430 L HN 0.001 nan 8.230 nan 0.000 0.507 431 K N 0.926 121.312 120.400 -0.023 0.000 2.144 431 K HA 0.226 4.546 4.320 0.001 0.000 0.270 431 K C 0.028 176.627 176.600 -0.000 0.000 1.005 431 K CA -0.917 55.360 56.287 -0.017 0.000 0.932 431 K CB 1.193 33.684 32.500 -0.014 0.000 1.021 431 K HN -0.279 nan 8.250 nan 0.000 0.462 432 K N 1.657 122.057 120.400 0.001 0.000 2.404 432 K HA -0.089 4.231 4.320 0.001 0.000 0.271 432 K C -0.080 176.526 176.600 0.010 0.000 1.130 432 K CA 0.497 56.788 56.287 0.007 0.000 1.181 432 K CB -0.089 32.414 32.500 0.005 0.000 0.840 432 K HN 0.451 nan 8.250 nan 0.000 0.483 433 S N 2.615 118.324 115.700 0.014 0.000 2.610 433 S HA 0.130 4.600 4.470 0.001 0.000 0.273 433 S C 1.013 175.623 174.600 0.016 0.000 1.274 433 S CA -0.465 57.746 58.200 0.018 0.000 1.023 433 S CB 1.011 64.225 63.200 0.022 0.000 0.962 433 S HN 0.652 nan 8.310 nan 0.000 0.523 434 S N 2.698 118.408 115.700 0.017 0.000 2.423 434 S HA -0.084 4.386 4.470 0.001 0.000 0.238 434 S C 1.086 175.695 174.600 0.015 0.000 1.028 434 S CA 1.343 59.552 58.200 0.015 0.000 1.000 434 S CB -0.150 63.060 63.200 0.016 0.000 0.797 434 S HN 0.552 nan 8.310 nan 0.000 0.487 435 K N 0.413 120.823 120.400 0.016 0.000 2.015 435 K HA 0.382 4.702 4.320 0.001 0.000 0.300 435 K C -0.206 176.404 176.600 0.017 0.000 0.949 435 K CA -0.349 55.947 56.287 0.016 0.000 0.836 435 K CB -0.212 32.297 32.500 0.016 0.000 3.402 435 K HN 0.381 nan 8.250 nan 0.000 1.179 436 N N 0.902 119.612 118.700 0.018 0.000 2.701 436 N HA 0.556 5.297 4.740 0.001 0.000 0.290 436 N C -2.828 172.694 175.510 0.021 0.000 1.338 436 N CA -0.984 52.077 53.050 0.019 0.000 0.799 436 N CB 1.350 39.848 38.487 0.018 0.000 1.491 436 N HN 0.100 nan 8.380 nan 0.000 0.540 437 P HA 0.352 nan 4.420 nan 0.000 0.292 437 P C -1.298 176.014 177.300 0.021 0.000 1.308 437 P CA -0.520 62.594 63.100 0.024 0.000 0.933 437 P CB 1.509 33.224 31.700 0.024 0.000 1.217 438 E N 0.867 121.080 120.200 0.022 0.000 2.324 438 E HA -0.034 4.317 4.350 0.001 0.000 0.271 438 E C 1.050 177.661 176.600 0.019 0.000 1.028 438 E CA -0.053 56.359 56.400 0.020 0.000 0.890 438 E CB 0.913 30.625 29.700 0.021 0.000 1.004 438 E HN 0.522 nan 8.360 nan 0.000 0.431 439 E N 3.570 123.781 120.200 0.017 0.000 2.094 439 E HA -0.377 3.973 4.350 0.001 0.000 0.232 439 E C 1.806 178.416 176.600 0.016 0.000 1.055 439 E CA 2.070 58.479 56.400 0.016 0.000 0.923 439 E CB -0.126 29.583 29.700 0.014 0.000 0.815 439 E HN 0.658 nan 8.360 nan 0.000 0.502 440 A N 0.738 123.567 122.820 0.016 0.000 1.903 440 A HA -0.326 3.994 4.320 0.001 0.000 0.219 440 A C 2.034 179.630 177.584 0.020 0.000 1.191 440 A CA 2.424 54.471 52.037 0.017 0.000 0.638 440 A CB -0.975 18.035 19.000 0.017 0.000 0.823 440 A HN 0.560 nan 8.150 nan 0.000 0.451 441 E N -0.180 120.034 120.200 0.022 0.000 2.045 441 E HA -0.246 4.104 4.350 0.001 0.000 0.212 441 E C 1.753 178.368 176.600 0.025 0.000 1.039 441 E CA 1.890 58.307 56.400 0.027 0.000 0.860 441 E CB -0.687 29.030 29.700 0.029 0.000 0.776 441 E HN 0.404 nan 8.360 nan 0.000 0.467 442 L N 1.021 122.256 121.223 0.019 0.000 1.956 442 L HA -0.233 4.108 4.340 0.001 0.000 0.216 442 L C 2.479 179.352 176.870 0.005 0.000 1.073 442 L CA 2.791 57.636 54.840 0.009 0.000 0.762 442 L CB -1.174 40.891 42.059 0.009 0.000 0.889 442 L HN 0.388 nan 8.230 nan 0.000 0.433 443 E N -0.432 119.774 120.200 0.010 0.000 2.169 443 E HA -0.327 4.023 4.350 0.001 0.000 0.202 443 E C 1.834 178.441 176.600 0.011 0.000 1.016 443 E CA 2.027 58.433 56.400 0.009 0.000 0.817 443 E CB -0.477 29.229 29.700 0.010 0.000 0.736 443 E HN 0.703 nan 8.360 nan 0.000 0.462 444 D N -1.437 118.974 120.400 0.018 0.000 2.091 444 D HA -0.139 4.502 4.640 0.001 0.000 0.199 444 D C 1.963 178.282 176.300 0.032 0.000 0.980 444 D CA 2.385 56.402 54.000 0.027 0.000 0.831 444 D CB -0.678 40.142 40.800 0.033 0.000 0.987 444 D HN 0.296 nan 8.370 nan 0.000 0.460 445 T N -1.012 113.559 114.554 0.030 0.000 2.803 445 T HA -0.156 4.194 4.350 0.001 0.000 0.269 445 T C 1.921 176.615 174.700 -0.009 0.000 1.052 445 T CA 0.936 63.056 62.100 0.033 0.000 1.136 445 T CB -0.426 68.460 68.868 0.029 0.000 0.864 445 T HN 0.068 nan 8.240 nan 0.000 0.467 446 L N 1.802 123.011 121.223 -0.024 0.000 2.201 446 L HA 0.160 4.500 4.340 0.001 0.000 0.212 446 L C 2.356 179.224 176.870 -0.003 0.000 1.105 446 L CA 1.365 56.190 54.840 -0.026 0.000 0.775 446 L CB -0.807 41.246 42.059 -0.009 0.000 0.913 446 L HN 0.350 nan 8.230 nan 0.000 0.440 447 N N -1.318 117.389 118.700 0.011 0.000 2.422 447 N HA -0.051 4.689 4.740 0.001 0.000 0.181 447 N C 1.558 177.087 175.510 0.032 0.000 1.080 447 N CA 0.384 53.445 53.050 0.018 0.000 0.893 447 N CB 0.312 38.812 38.487 0.022 0.000 0.973 447 N HN 0.540 nan 8.380 nan 0.000 0.456 448 Q N -0.040 119.787 119.800 0.045 0.000 2.259 448 Q HA 0.075 4.415 4.340 0.001 0.000 0.201 448 Q C 1.983 178.029 176.000 0.077 0.000 0.938 448 Q CA 0.511 56.359 55.803 0.074 0.000 0.872 448 Q CB 0.353 29.157 28.738 0.109 0.000 0.971 448 Q HN 0.082 nan 8.270 nan 0.000 0.494 449 V N 1.227 121.179 119.914 0.063 0.000 2.392 449 V HA -0.272 3.848 4.120 0.001 0.000 0.249 449 V C 2.165 178.280 176.094 0.035 0.000 1.059 449 V CA 1.358 63.700 62.300 0.070 0.000 1.051 449 V CB -0.432 31.394 31.823 0.006 0.000 0.658 449 V HN 0.429 nan 8.190 nan 0.000 0.455 450 M N -0.865 118.748 119.600 0.021 0.000 2.476 450 M HA -0.023 4.458 4.480 0.001 0.000 0.262 450 M C 2.050 178.363 176.300 0.022 0.000 1.079 450 M CA 1.081 56.413 55.300 0.054 0.000 1.104 450 M CB -0.817 31.805 32.600 0.036 0.000 1.409 450 M HN 0.296 nan 8.290 nan 0.000 0.467 451 V N -0.644 119.258 119.914 -0.020 0.000 2.649 451 V HA -0.121 3.999 4.120 0.001 0.000 0.248 451 V C 2.408 178.419 176.094 -0.139 0.000 1.054 451 V CA 0.893 63.121 62.300 -0.120 0.000 1.073 451 V CB -0.264 31.499 31.823 -0.101 0.000 0.699 451 V HN 0.184 nan 8.190 nan 0.000 0.463 452 V N -0.459 119.456 119.914 0.000 0.000 2.379 452 V HA -0.193 3.927 4.120 0.001 0.000 0.245 452 V C 2.214 178.332 176.094 0.040 0.000 1.044 452 V CA 1.965 64.319 62.300 0.090 0.000 1.036 452 V CB -0.808 31.090 31.823 0.124 0.000 0.664 452 V HN 0.552 nan 8.190 nan 0.000 0.453 453 F N 2.100 121.935 119.950 -0.192 0.000 2.120 453 F HA -0.250 4.278 4.527 0.000 0.000 0.300 453 F C 2.442 178.085 175.800 -0.263 0.000 1.095 453 F CA 2.222 60.046 58.000 -0.293 0.000 1.249 453 F CB -0.491 38.277 39.000 -0.387 0.000 0.995 453 F HN 0.096 nan 8.300 nan 0.000 0.480 454 K N -0.691 119.404 120.400 -0.508 0.000 2.293 454 K HA -0.251 4.069 4.320 0.001 0.000 0.204 454 K C 1.112 177.233 176.600 -0.798 0.000 1.045 454 K CA 1.972 57.810 56.287 -0.748 0.000 0.933 454 K CB -0.503 31.520 32.500 -0.796 0.000 0.736 454 K HN 0.504 nan 8.250 nan 0.000 0.463 455 Y N 0.247 120.376 120.300 -0.286 0.000 2.481 455 Y HA 0.232 4.782 4.550 0.001 0.000 0.247 455 Y C 0.154 175.944 175.900 -0.184 0.000 1.151 455 Y CA -1.076 56.887 58.100 -0.227 0.000 1.238 455 Y CB 0.613 38.939 38.460 -0.225 0.000 1.179 455 Y HN -0.122 nan 8.280 nan 0.000 0.524 456 I N 1.756 122.261 120.570 -0.108 0.000 2.517 456 I HA -0.038 4.132 4.170 0.001 0.000 0.285 456 I C 1.141 177.247 176.117 -0.017 0.000 1.106 456 I CA 0.333 61.622 61.300 -0.018 0.000 1.402 456 I CB 0.670 38.691 38.000 0.036 0.000 1.399 456 I HN 0.424 nan 8.210 nan 0.000 0.535 457 E N 3.463 123.696 120.200 0.053 0.000 2.046 457 E HA -0.132 4.219 4.350 0.001 0.000 0.190 457 E C -0.238 176.445 176.600 0.139 0.000 0.982 457 E CA 1.057 57.498 56.400 0.068 0.000 0.800 457 E CB 0.246 29.994 29.700 0.080 0.000 0.756 457 E HN 0.648 nan 8.360 nan 0.000 0.449 458 D N 0.796 121.308 120.400 0.187 0.000 2.564 458 D HA 0.071 4.711 4.640 0.001 0.000 0.226 458 D C 0.144 176.623 176.300 0.299 0.000 1.149 458 D CA 0.046 54.191 54.000 0.243 0.000 0.994 458 D CB 0.704 41.635 40.800 0.218 0.000 1.029 458 D HN -0.053 nan 8.370 nan 0.000 0.517 459 K N 0.818 121.407 120.400 0.314 0.000 2.439 459 K HA -0.089 4.231 4.320 0.001 0.000 0.197 459 K C 1.152 178.063 176.600 0.517 0.000 1.041 459 K CA 0.602 57.176 56.287 0.479 0.000 0.970 459 K CB 0.271 32.995 32.500 0.374 0.000 0.773 459 K HN 0.422 nan 8.250 nan 0.000 0.479 460 D N 0.755 121.366 120.400 0.352 0.000 2.117 460 D HA -0.130 4.510 4.640 0.001 0.000 0.198 460 D C 1.910 178.301 176.300 0.152 0.000 0.982 460 D CA 0.781 54.920 54.000 0.230 0.000 0.828 460 D CB -0.592 40.245 40.800 0.062 0.000 0.967 460 D HN -0.084 nan 8.370 nan 0.000 0.464 461 V N 0.605 120.625 119.914 0.176 0.000 2.295 461 V HA -0.215 3.906 4.120 0.001 0.000 0.246 461 V C 2.282 178.577 176.094 0.334 0.000 1.049 461 V CA 1.571 63.983 62.300 0.187 0.000 1.024 461 V CB -0.765 31.206 31.823 0.247 0.000 0.648 461 V HN 0.054 nan 8.190 nan 0.000 0.447 462 F N 0.936 121.060 119.950 0.291 0.000 2.010 462 F HA -0.264 4.263 4.527 0.000 0.000 0.296 462 F C 2.674 178.621 175.800 0.246 0.000 1.146 462 F CA 2.479 60.662 58.000 0.305 0.000 1.181 462 F CB -1.017 38.192 39.000 0.349 0.000 0.965 462 F HN 0.153 nan 8.300 nan 0.000 0.480 463 Q N 0.449 120.277 119.800 0.046 0.000 2.103 463 Q HA -0.387 3.953 4.340 0.001 0.000 0.213 463 Q C 2.292 178.123 176.000 -0.282 0.000 1.008 463 Q CA 2.733 58.364 55.803 -0.287 0.000 0.879 463 Q CB -0.489 28.050 28.738 -0.332 0.000 0.946 463 Q HN 0.360 nan 8.270 nan 0.000 0.413 464 K N -0.009 120.282 120.400 -0.183 0.000 2.063 464 K HA -0.141 4.179 4.320 0.001 0.000 0.208 464 K C 1.774 178.183 176.600 -0.318 0.000 1.048 464 K CA 1.774 57.906 56.287 -0.257 0.000 0.928 464 K CB -0.699 31.627 32.500 -0.291 0.000 0.713 464 K HN 0.308 nan 8.250 nan 0.000 0.442 465 F N -0.989 118.827 119.950 -0.224 0.000 2.113 465 F HA -0.113 4.415 4.527 0.001 0.000 0.297 465 F C 2.082 177.736 175.800 -0.243 0.000 1.103 465 F CA 1.444 59.318 58.000 -0.211 0.000 1.248 465 F CB -0.559 38.333 39.000 -0.179 0.000 0.999 465 F HN 0.075 nan 8.300 nan 0.000 0.475 466 Y N 0.434 120.531 120.300 -0.339 0.000 2.569 466 Y HA -0.115 4.435 4.550 0.001 0.000 0.293 466 Y C 1.958 177.698 175.900 -0.267 0.000 1.144 466 Y CA 0.497 58.355 58.100 -0.403 0.000 1.321 466 Y CB -0.465 37.536 38.460 -0.764 0.000 0.982 466 Y HN 0.027 nan 8.280 nan 0.000 0.558 467 A N -0.219 122.555 122.820 -0.077 0.000 1.887 467 A HA -0.036 4.285 4.320 0.001 0.000 0.212 467 A C 2.155 179.682 177.584 -0.094 0.000 1.198 467 A CA 1.027 53.008 52.037 -0.093 0.000 0.628 467 A CB -0.449 18.451 19.000 -0.165 0.000 0.847 467 A HN 0.336 nan 8.150 nan 0.000 0.449 468 K N -1.365 118.968 120.400 -0.113 0.000 2.362 468 K HA -0.000 4.320 4.320 0.001 0.000 0.200 468 K C 1.764 178.341 176.600 -0.037 0.000 1.046 468 K CA 1.169 57.422 56.287 -0.057 0.000 0.952 468 K CB -0.161 32.268 32.500 -0.118 0.000 0.753 468 K HN 0.445 nan 8.250 nan 0.000 0.466 469 M N -0.072 119.473 119.600 -0.091 0.000 2.325 469 M HA -0.001 4.480 4.480 0.001 0.000 0.265 469 M C 1.746 177.947 176.300 -0.165 0.000 1.094 469 M CA 0.820 56.039 55.300 -0.135 0.000 1.161 469 M CB 0.104 32.584 32.600 -0.200 0.000 1.358 469 M HN 0.134 nan 8.290 nan 0.000 0.446 470 L N -0.357 120.755 121.223 -0.184 0.000 2.083 470 L HA -0.184 4.156 4.340 0.001 0.000 0.209 470 L C 2.377 179.221 176.870 -0.044 0.000 1.083 470 L CA 1.469 56.225 54.840 -0.140 0.000 0.752 470 L CB -0.550 41.471 42.059 -0.064 0.000 0.899 470 L HN 0.358 nan 8.230 nan 0.000 0.433 471 A N 0.567 123.425 122.820 0.064 0.000 1.852 471 A HA -0.307 4.013 4.320 0.001 0.000 0.217 471 A C 2.209 179.888 177.584 0.159 0.000 1.215 471 A CA 2.327 54.576 52.037 0.353 0.000 0.641 471 A CB -0.667 18.621 19.000 0.479 0.000 0.838 471 A HN 0.398 nan 8.150 nan 0.000 0.450 472 K N -0.967 119.399 120.400 -0.057 0.000 2.059 472 K HA -0.226 4.095 4.320 0.001 0.000 0.212 472 K C 2.381 178.734 176.600 -0.411 0.000 1.050 472 K CA 1.819 57.872 56.287 -0.390 0.000 0.927 472 K CB -0.286 32.020 32.500 -0.322 0.000 0.714 472 K HN 0.403 nan 8.250 nan 0.000 0.447 473 R N 0.880 121.252 120.500 -0.214 0.000 2.080 473 R HA -0.125 4.216 4.340 0.001 0.000 0.236 473 R C 2.480 178.690 176.300 -0.150 0.000 1.137 473 R CA 1.486 57.492 56.100 -0.156 0.000 0.943 473 R CB -0.448 29.776 30.300 -0.127 0.000 0.846 473 R HN 0.150 nan 8.270 nan 0.000 0.431 474 L N -0.029 121.105 121.223 -0.149 0.000 1.970 474 L HA -0.218 4.122 4.340 0.001 0.000 0.212 474 L C 2.394 179.179 176.870 -0.143 0.000 1.071 474 L CA 1.266 56.021 54.840 -0.142 0.000 0.751 474 L CB -0.766 41.268 42.059 -0.042 0.000 0.889 474 L HN 0.058 nan 8.230 nan 0.000 0.432 475 V N -0.719 119.064 119.914 -0.218 0.000 2.439 475 V HA -0.333 3.787 4.120 0.001 0.000 0.253 475 V C 1.414 177.458 176.094 -0.084 0.000 1.074 475 V CA 2.010 64.134 62.300 -0.293 0.000 1.076 475 V CB -1.112 30.424 31.823 -0.477 0.000 0.664 475 V HN 0.578 nan 8.190 nan 0.000 0.461 476 H N -0.737 118.234 119.070 -0.165 0.000 2.486 476 H HA 0.212 4.768 4.556 0.001 0.000 0.284 476 H C 0.381 175.643 175.328 -0.110 0.000 1.103 476 H CA -0.460 55.499 56.048 -0.148 0.000 1.089 476 H CB 0.384 30.060 29.762 -0.144 0.000 1.603 476 H HN 0.263 nan 8.280 nan 0.000 0.557 477 Q N 0.972 120.774 119.800 0.004 0.000 2.405 477 Q HA -0.278 4.062 4.340 0.001 0.000 0.265 477 Q C 0.171 176.172 176.000 0.003 0.000 1.096 477 Q CA 0.585 56.383 55.803 -0.009 0.000 0.982 477 Q CB -1.776 26.953 28.738 -0.016 0.000 1.426 477 Q HN 0.633 nan 8.270 nan 0.000 0.527 478 N N 0.239 118.945 118.700 0.010 0.000 2.455 478 N HA 0.036 4.776 4.740 0.001 0.000 0.258 478 N C -0.709 174.798 175.510 -0.006 0.000 1.158 478 N CA 0.139 53.195 53.050 0.010 0.000 0.893 478 N CB 0.426 38.933 38.487 0.034 0.000 1.173 478 N HN 0.121 nan 8.380 nan 0.000 0.503 479 S N -0.641 115.057 115.700 -0.003 0.000 2.585 479 S HA 0.590 5.061 4.470 0.001 0.000 0.277 479 S C 1.054 175.664 174.600 0.018 0.000 1.241 479 S CA -0.367 57.836 58.200 0.005 0.000 1.041 479 S CB 1.554 64.768 63.200 0.024 0.000 0.987 479 S HN 0.397 nan 8.310 nan 0.000 0.512 480 A N 3.553 126.384 122.820 0.018 0.000 1.994 480 A HA 0.197 4.518 4.320 0.001 0.000 0.202 480 A C 1.138 178.740 177.584 0.031 0.000 1.286 480 A CA 0.970 53.020 52.037 0.021 0.000 0.653 480 A CB -1.216 17.795 19.000 0.018 0.000 0.926 480 A HN 0.818 nan 8.150 nan 0.000 0.494 481 S N -0.934 114.788 115.700 0.037 0.000 2.489 481 S HA 0.317 4.787 4.470 0.001 0.000 0.291 481 S C 0.287 174.926 174.600 0.065 0.000 1.151 481 S CA -0.543 57.683 58.200 0.043 0.000 1.082 481 S CB 0.800 64.020 63.200 0.033 0.000 1.019 481 S HN 0.374 nan 8.310 nan 0.000 0.492 482 D N 2.681 123.125 120.400 0.074 0.000 2.178 482 D HA -0.076 4.565 4.640 0.001 0.000 0.202 482 D C 0.496 176.845 176.300 0.081 0.000 0.974 482 D CA 1.165 55.234 54.000 0.114 0.000 0.841 482 D CB 0.047 40.916 40.800 0.114 0.000 0.953 482 D HN 0.634 nan 8.370 nan 0.000 0.478 483 D N 0.133 120.558 120.400 0.042 0.000 2.363 483 D HA 0.024 4.664 4.640 0.001 0.000 0.226 483 D C 1.676 177.987 176.300 0.019 0.000 1.020 483 D CA 0.140 54.148 54.000 0.013 0.000 0.892 483 D CB 0.079 40.882 40.800 0.006 0.000 0.900 483 D HN 0.111 nan 8.370 nan 0.000 0.531 484 A N 1.012 123.859 122.820 0.045 0.000 1.843 484 A HA -0.113 4.207 4.320 0.001 0.000 0.213 484 A C 2.032 179.660 177.584 0.073 0.000 1.202 484 A CA 0.729 52.795 52.037 0.048 0.000 0.607 484 A CB -0.156 18.874 19.000 0.051 0.000 0.847 484 A HN -0.010 nan 8.150 nan 0.000 0.445 485 E N 0.451 120.727 120.200 0.128 0.000 2.033 485 E HA -0.245 4.106 4.350 0.001 0.000 0.199 485 E C 2.302 178.949 176.600 0.078 0.000 1.011 485 E CA 1.434 57.959 56.400 0.209 0.000 0.815 485 E CB -1.043 28.919 29.700 0.438 0.000 0.755 485 E HN 0.537 nan 8.360 nan 0.000 0.451 486 A N 1.192 123.987 122.820 -0.043 0.000 2.009 486 A HA -0.266 4.054 4.320 0.001 0.000 0.222 486 A C 2.409 179.922 177.584 -0.118 0.000 1.175 486 A CA 2.473 54.394 52.037 -0.193 0.000 0.651 486 A CB -0.661 18.231 19.000 -0.180 0.000 0.815 486 A HN 0.285 nan 8.150 nan 0.000 0.459 487 S N -2.208 113.462 115.700 -0.050 0.000 2.406 487 S HA -0.035 4.435 4.470 0.001 0.000 0.224 487 S C 2.031 176.608 174.600 -0.039 0.000 1.030 487 S CA 1.190 59.365 58.200 -0.041 0.000 0.958 487 S CB -0.319 62.871 63.200 -0.017 0.000 0.811 487 S HN 0.381 nan 8.310 nan 0.000 0.489 488 M N 1.719 121.317 119.600 -0.003 0.000 2.067 488 M HA 0.054 4.535 4.480 0.001 0.000 0.260 488 M C 2.007 178.241 176.300 -0.110 0.000 1.069 488 M CA 1.409 56.701 55.300 -0.013 0.000 1.117 488 M CB -1.345 31.339 32.600 0.139 0.000 1.334 488 M HN 0.383 nan 8.290 nan 0.000 0.407 489 I N -0.671 119.840 120.570 -0.098 0.000 2.248 489 I HA -0.355 3.815 4.170 0.001 0.000 0.248 489 I C 2.613 178.633 176.117 -0.161 0.000 1.107 489 I CA 1.635 62.839 61.300 -0.159 0.000 1.373 489 I CB -0.407 37.497 38.000 -0.161 0.000 1.055 489 I HN 0.380 nan 8.210 nan 0.000 0.418 490 S N 0.830 116.449 115.700 -0.135 0.000 2.345 490 S HA -0.254 4.217 4.470 0.001 0.000 0.220 490 S C 2.120 176.671 174.600 -0.081 0.000 1.031 490 S CA 1.554 59.686 58.200 -0.114 0.000 0.996 490 S CB -0.197 62.948 63.200 -0.092 0.000 0.882 490 S HN 0.260 nan 8.310 nan 0.000 0.445 491 K N 0.389 120.747 120.400 -0.071 0.000 2.127 491 K HA -0.080 4.240 4.320 0.001 0.000 0.208 491 K C 2.001 178.571 176.600 -0.050 0.000 1.047 491 K CA 1.908 58.163 56.287 -0.052 0.000 0.927 491 K CB -0.321 32.148 32.500 -0.051 0.000 0.716 491 K HN 0.494 nan 8.250 nan 0.000 0.450 492 L N -0.258 120.913 121.223 -0.086 0.000 2.209 492 L HA -0.032 4.308 4.340 0.001 0.000 0.207 492 L C 2.440 179.337 176.870 0.045 0.000 1.094 492 L CA 0.707 55.521 54.840 -0.043 0.000 0.790 492 L CB -0.401 41.597 42.059 -0.100 0.000 0.932 492 L HN 0.149 nan 8.230 nan 0.000 0.447 493 K N 0.748 121.139 120.400 -0.016 0.000 2.044 493 K HA -0.296 4.024 4.320 0.001 0.000 0.210 493 K C 2.141 178.743 176.600 0.004 0.000 1.049 493 K CA 1.849 58.123 56.287 -0.020 0.000 0.927 493 K CB -0.069 32.361 32.500 -0.116 0.000 0.713 493 K HN 0.220 nan 8.250 nan 0.000 0.443 494 Q N -0.007 119.788 119.800 -0.008 0.000 1.967 494 Q HA -0.272 4.068 4.340 0.001 0.000 0.210 494 Q C 1.965 177.966 176.000 0.001 0.000 1.005 494 Q CA 2.423 58.225 55.803 -0.002 0.000 0.862 494 Q CB -0.390 28.345 28.738 -0.006 0.000 0.939 494 Q HN 0.468 nan 8.270 nan 0.000 0.417 495 A N -0.236 122.592 122.820 0.014 0.000 1.849 495 A HA -0.230 4.090 4.320 0.001 0.000 0.217 495 A C 2.027 179.584 177.584 -0.046 0.000 1.202 495 A CA 1.797 53.828 52.037 -0.011 0.000 0.629 495 A CB -0.803 18.227 19.000 0.050 0.000 0.834 495 A HN 0.681 nan 8.150 nan 0.000 0.447 496 C N -0.800 118.466 119.300 -0.057 0.000 2.668 496 C HA 0.558 5.018 4.460 0.001 0.000 0.301 496 C C 1.317 176.323 174.990 0.027 0.000 1.351 496 C CA -0.792 58.139 59.018 -0.145 0.000 1.757 496 C CB -1.685 25.684 27.740 -0.618 0.000 2.179 496 C HN 1.189 nan 8.230 nan 0.000 0.586 497 G N 0.463 109.293 108.800 0.050 0.000 2.953 497 G HA2 -0.298 3.663 3.960 0.001 0.000 0.421 497 G HA3 -0.298 3.663 3.960 0.001 0.000 0.421 497 G C 0.249 175.246 174.900 0.162 0.000 1.531 497 G CA 0.012 45.173 45.100 0.101 0.000 0.971 497 G HN 0.346 nan 8.290 nan 0.000 0.558 498 F N 0.353 120.324 119.950 0.036 0.000 2.147 498 F HA -0.186 4.341 4.527 0.001 0.000 0.301 498 F C 2.696 178.519 175.800 0.038 0.000 1.084 498 F CA 2.543 60.558 58.000 0.025 0.000 1.268 498 F CB 0.155 39.158 39.000 0.005 0.000 1.009 498 F HN 0.733 nan 8.300 nan 0.000 0.486 499 E N -0.116 120.283 120.200 0.331 0.000 2.070 499 E HA -0.331 4.019 4.350 0.001 0.000 0.197 499 E C 2.124 178.849 176.600 0.207 0.000 1.004 499 E CA 1.851 58.390 56.400 0.231 0.000 0.805 499 E CB -0.869 28.925 29.700 0.157 0.000 0.744 499 E HN 0.580 nan 8.360 nan 0.000 0.451 500 Y N 1.591 121.925 120.300 0.057 0.000 2.097 500 Y HA -0.209 4.342 4.550 0.001 0.000 0.282 500 Y C 2.464 178.345 175.900 -0.032 0.000 1.152 500 Y CA 2.735 60.847 58.100 0.021 0.000 1.136 500 Y CB -0.578 37.902 38.460 0.033 0.000 0.975 500 Y HN 0.138 nan 8.280 nan 0.000 0.498 501 T N -1.757 112.798 114.554 0.002 0.000 3.100 501 T HA -0.026 4.325 4.350 0.001 0.000 0.253 501 T C 2.066 176.671 174.700 -0.159 0.000 1.118 501 T CA 0.607 62.609 62.100 -0.164 0.000 1.058 501 T CB -0.691 68.056 68.868 -0.202 0.000 0.953 501 T HN 0.471 nan 8.240 nan 0.000 0.515 502 S N 3.244 118.929 115.700 -0.025 0.000 2.389 502 S HA -0.328 4.142 4.470 0.001 0.000 0.229 502 S C 1.972 176.565 174.600 -0.011 0.000 1.048 502 S CA 1.372 59.636 58.200 0.107 0.000 1.117 502 S CB -0.631 62.706 63.200 0.229 0.000 1.020 502 S HN 0.524 nan 8.310 nan 0.000 0.430 503 K N 1.001 121.356 120.400 -0.076 0.000 2.152 503 K HA 0.046 4.367 4.320 0.001 0.000 0.206 503 K C 2.222 178.708 176.600 -0.190 0.000 1.048 503 K CA 1.508 57.702 56.287 -0.155 0.000 0.933 503 K CB -0.519 31.871 32.500 -0.183 0.000 0.721 503 K HN 0.443 nan 8.250 nan 0.000 0.447 504 L N 0.592 121.727 121.223 -0.146 0.000 2.141 504 L HA -0.204 4.136 4.340 0.001 0.000 0.209 504 L C 2.355 179.254 176.870 0.049 0.000 1.094 504 L CA 1.270 56.068 54.840 -0.069 0.000 0.763 504 L CB -0.257 41.773 42.059 -0.049 0.000 0.908 504 L HN 0.253 nan 8.230 nan 0.000 0.437 505 Q N -0.844 118.945 119.800 -0.018 0.000 2.163 505 Q HA -0.106 4.234 4.340 0.001 0.000 0.198 505 Q C 2.313 178.333 176.000 0.033 0.000 0.954 505 Q CA 0.614 56.431 55.803 0.023 0.000 0.851 505 Q CB 0.082 28.763 28.738 -0.095 0.000 0.928 505 Q HN 0.299 nan 8.270 nan 0.000 0.459 506 R N 0.461 120.931 120.500 -0.051 0.000 2.083 506 R HA -0.142 4.199 4.340 0.001 0.000 0.237 506 R C 2.176 178.351 176.300 -0.209 0.000 1.137 506 R CA 1.534 57.572 56.100 -0.103 0.000 0.951 506 R CB -0.125 30.079 30.300 -0.160 0.000 0.851 506 R HN 0.295 nan 8.270 nan 0.000 0.434 507 M N -0.662 118.682 119.600 -0.428 0.000 2.080 507 M HA -0.224 4.257 4.480 0.001 0.000 0.260 507 M C 2.048 178.209 176.300 -0.231 0.000 1.068 507 M CA 1.817 56.620 55.300 -0.829 0.000 1.109 507 M CB -0.422 31.522 32.600 -1.093 0.000 1.342 507 M HN 0.125 nan 8.290 nan 0.000 0.405 508 F N 0.758 120.630 119.950 -0.130 0.000 2.025 508 F HA -0.351 4.177 4.527 0.001 0.000 0.297 508 F C 2.993 178.819 175.800 0.045 0.000 1.132 508 F CA 2.350 60.353 58.000 0.006 0.000 1.191 508 F CB -0.564 38.423 39.000 -0.022 0.000 0.963 508 F HN 0.276 nan 8.300 nan 0.000 0.481 509 Q N 0.386 120.330 119.800 0.240 0.000 2.167 509 Q HA -0.248 4.092 4.340 0.001 0.000 0.202 509 Q C 1.632 177.726 176.000 0.156 0.000 0.970 509 Q CA 1.892 57.797 55.803 0.170 0.000 0.855 509 Q CB -0.616 28.188 28.738 0.109 0.000 0.911 509 Q HN 0.404 nan 8.270 nan 0.000 0.438 510 D N 0.298 120.783 120.400 0.141 0.000 2.264 510 D HA -0.120 4.520 4.640 0.001 0.000 0.208 510 D C 1.722 178.183 176.300 0.268 0.000 0.966 510 D CA 0.425 54.540 54.000 0.191 0.000 0.864 510 D CB -0.080 40.826 40.800 0.177 0.000 0.933 510 D HN 0.341 nan 8.370 nan 0.000 0.499 511 I N -0.084 120.654 120.570 0.281 0.000 2.406 511 I HA 0.099 4.269 4.170 0.001 0.000 0.249 511 I C 2.263 178.463 176.117 0.139 0.000 1.122 511 I CA 1.047 62.475 61.300 0.213 0.000 1.431 511 I CB -0.635 37.473 38.000 0.180 0.000 1.087 511 I HN 0.061 nan 8.210 nan 0.000 0.424 512 G N -0.076 108.816 108.800 0.154 0.000 2.442 512 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 512 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 512 G C 1.719 176.688 174.900 0.116 0.000 1.141 512 G CA 1.257 46.434 45.100 0.128 0.000 0.763 512 G HN 0.326 nan 8.290 nan 0.000 0.554 513 V N 0.701 120.692 119.914 0.129 0.000 2.233 513 V HA -0.224 3.896 4.120 0.001 0.000 0.247 513 V C 3.005 179.179 176.094 0.133 0.000 1.050 513 V CA 2.338 64.717 62.300 0.131 0.000 1.010 513 V CB -0.883 31.028 31.823 0.148 0.000 0.637 513 V HN 0.426 nan 8.190 nan 0.000 0.444 514 S N -0.932 114.839 115.700 0.119 0.000 2.365 514 S HA -0.268 4.202 4.470 0.001 0.000 0.225 514 S C 2.025 176.673 174.600 0.081 0.000 1.039 514 S CA 1.990 60.242 58.200 0.088 0.000 1.033 514 S CB -0.271 62.933 63.200 0.007 0.000 0.887 514 S HN 0.613 nan 8.310 nan 0.000 0.447 515 K N 0.874 121.314 120.400 0.066 0.000 2.020 515 K HA -0.174 4.146 4.320 0.001 0.000 0.212 515 K C 2.039 178.695 176.600 0.094 0.000 1.050 515 K CA 1.602 57.925 56.287 0.060 0.000 0.929 515 K CB -0.445 32.090 32.500 0.059 0.000 0.714 515 K HN 0.431 nan 8.250 nan 0.000 0.443 516 D N 1.464 121.929 120.400 0.109 0.000 2.108 516 D HA -0.221 4.419 4.640 0.001 0.000 0.190 516 D C 1.943 178.346 176.300 0.171 0.000 0.995 516 D CA 1.290 55.364 54.000 0.124 0.000 0.834 516 D CB -0.149 40.720 40.800 0.115 0.000 0.967 516 D HN 0.140 nan 8.370 nan 0.000 0.446 517 L N 0.709 122.056 121.223 0.207 0.000 2.081 517 L HA -0.212 4.128 4.340 0.001 0.000 0.212 517 L C 2.378 179.478 176.870 0.383 0.000 1.080 517 L CA 1.224 56.257 54.840 0.321 0.000 0.754 517 L CB -0.464 41.807 42.059 0.354 0.000 0.893 517 L HN 0.119 nan 8.230 nan 0.000 0.433 518 N N 0.010 118.865 118.700 0.259 0.000 2.043 518 N HA -0.233 4.507 4.740 0.001 0.000 0.193 518 N C 1.655 177.307 175.510 0.237 0.000 1.037 518 N CA 1.632 54.815 53.050 0.222 0.000 0.851 518 N CB -0.047 38.484 38.487 0.074 0.000 1.027 518 N HN 0.358 nan 8.380 nan 0.000 0.422 519 E N 0.960 121.265 120.200 0.175 0.000 2.038 519 E HA -0.209 4.141 4.350 0.001 0.000 0.195 519 E C 1.976 178.675 176.600 0.165 0.000 1.000 519 E CA 0.929 57.414 56.400 0.143 0.000 0.803 519 E CB -0.612 29.157 29.700 0.114 0.000 0.750 519 E HN 0.366 nan 8.360 nan 0.000 0.448 520 Q N -0.332 119.613 119.800 0.241 0.000 2.156 520 Q HA -0.182 4.158 4.340 0.001 0.000 0.211 520 Q C 1.892 177.989 176.000 0.163 0.000 0.995 520 Q CA 1.555 57.569 55.803 0.352 0.000 0.877 520 Q CB -0.464 28.625 28.738 0.585 0.000 0.920 520 Q HN 0.302 nan 8.270 nan 0.000 0.416 521 F N 0.086 119.890 119.950 -0.243 0.000 2.270 521 F HA 0.015 4.542 4.527 0.001 0.000 0.295 521 F C 1.704 177.412 175.800 -0.154 0.000 1.087 521 F CA 0.978 58.570 58.000 -0.680 0.000 1.365 521 F CB 0.138 38.921 39.000 -0.361 0.000 1.056 521 F HN -0.092 nan 8.300 nan 0.000 0.506 522 K N 0.312 120.755 120.400 0.072 0.000 2.147 522 K HA -0.162 4.158 4.320 0.001 0.000 0.205 522 K C 1.997 178.564 176.600 -0.056 0.000 1.049 522 K CA 1.264 57.573 56.287 0.038 0.000 0.936 522 K CB -0.099 32.457 32.500 0.094 0.000 0.722 522 K HN 0.310 nan 8.250 nan 0.000 0.446 523 K N -0.217 120.168 120.400 -0.025 0.000 2.007 523 K HA -0.160 4.160 4.320 0.001 0.000 0.206 523 K C 2.014 178.583 176.600 -0.052 0.000 1.047 523 K CA 1.209 57.491 56.287 -0.007 0.000 0.937 523 K CB -0.336 32.200 32.500 0.060 0.000 0.718 523 K HN 0.152 nan 8.250 nan 0.000 0.438 524 H N 0.595 119.554 119.070 -0.185 0.000 2.520 524 H HA -0.132 4.424 4.556 0.001 0.000 0.295 524 H C 1.553 176.703 175.328 -0.297 0.000 1.096 524 H CA 1.015 56.942 56.048 -0.202 0.000 1.249 524 H CB 0.059 29.657 29.762 -0.273 0.000 1.365 524 H HN 0.019 nan 8.280 nan 0.000 0.556 525 L N -0.582 120.395 121.223 -0.410 0.000 2.084 525 L HA -0.015 4.325 4.340 0.001 0.000 0.202 525 L C 1.817 178.551 176.870 -0.227 0.000 1.074 525 L CA 1.729 56.347 54.840 -0.370 0.000 0.757 525 L CB -0.597 41.300 42.059 -0.271 0.000 0.918 525 L HN 0.177 nan 8.230 nan 0.000 0.444 526 T N 0.914 115.380 114.554 -0.146 0.000 3.658 526 T HA 0.015 4.365 4.350 0.001 0.000 0.250 526 T C 0.492 175.133 174.700 -0.098 0.000 1.060 526 T CA 0.111 62.155 62.100 -0.093 0.000 0.962 526 T CB -1.040 67.796 68.868 -0.052 0.000 1.075 526 T HN 0.209 nan 8.240 nan 0.000 0.610 527 N N 0.239 118.843 118.700 -0.159 0.000 2.890 527 N HA 0.159 4.899 4.740 0.001 0.000 0.317 527 N C 0.026 175.432 175.510 -0.173 0.000 1.355 527 N CA -0.597 52.361 53.050 -0.153 0.000 0.803 527 N CB 1.700 40.062 38.487 -0.208 0.000 1.465 527 N HN -0.041 nan 8.380 nan 0.000 0.591 528 S N 0.348 115.962 115.700 -0.144 0.000 3.797 528 S HA 0.024 4.495 4.470 0.001 0.000 0.187 528 S C -0.891 173.616 174.600 -0.155 0.000 1.165 528 S CA 0.512 58.644 58.200 -0.113 0.000 1.013 528 S CB -1.311 61.849 63.200 -0.066 0.000 1.456 528 S HN 0.381 nan 8.310 nan 0.000 0.442 529 E N 2.172 122.257 120.200 -0.193 0.000 2.642 529 E HA 0.163 4.514 4.350 0.001 0.000 0.374 529 E C -2.981 173.521 176.600 -0.165 0.000 0.961 529 E CA -0.935 55.349 56.400 -0.193 0.000 0.748 529 E CB 1.827 31.331 29.700 -0.326 0.000 1.516 529 E HN 0.300 nan 8.360 nan 0.000 0.388 530 P HA 0.333 nan 4.420 nan 0.000 0.300 530 P C -0.532 176.756 177.300 -0.020 0.000 1.326 530 P CA -0.547 62.519 63.100 -0.057 0.000 0.844 530 P CB 1.511 33.189 31.700 -0.037 0.000 0.992 531 L N 3.506 124.733 121.223 0.008 0.000 2.325 531 L HA 0.201 4.542 4.340 0.001 0.000 0.279 531 L C 1.744 178.650 176.870 0.061 0.000 1.054 531 L CA -0.417 54.458 54.840 0.059 0.000 0.804 531 L CB 1.504 43.642 42.059 0.133 0.000 1.200 531 L HN 0.419 nan 8.230 nan 0.000 0.436 532 D N 2.494 122.930 120.400 0.061 0.000 2.224 532 D HA -0.062 4.578 4.640 0.001 0.000 0.205 532 D C 0.113 176.452 176.300 0.066 0.000 0.965 532 D CA 0.647 54.678 54.000 0.052 0.000 0.852 532 D CB 0.030 40.855 40.800 0.042 0.000 0.947 532 D HN 0.217 nan 8.370 nan 0.000 0.494 533 L N -2.568 118.714 121.223 0.099 0.000 2.350 533 L HA 0.499 4.839 4.340 0.001 0.000 0.260 533 L C -0.614 176.347 176.870 0.151 0.000 1.015 533 L CA -1.187 53.717 54.840 0.107 0.000 0.821 533 L CB 1.534 43.657 42.059 0.108 0.000 1.370 533 L HN -0.305 nan 8.230 nan 0.000 0.416 534 D N 1.678 122.149 120.400 0.119 0.000 2.356 534 D HA 0.055 4.695 4.640 0.001 0.000 0.272 534 D C -1.165 175.236 176.300 0.168 0.000 1.337 534 D CA 0.314 54.389 54.000 0.124 0.000 0.970 534 D CB 0.059 40.896 40.800 0.062 0.000 1.092 534 D HN 0.520 nan 8.370 nan 0.000 0.516 535 F N 2.991 122.992 119.950 0.084 0.000 2.425 535 F HA 0.451 4.978 4.527 0.001 0.000 0.331 535 F C -0.468 175.357 175.800 0.042 0.000 1.085 535 F CA -0.536 57.510 58.000 0.076 0.000 1.028 535 F CB 1.651 40.743 39.000 0.153 0.000 1.177 535 F HN 0.162 nan 8.300 nan 0.000 0.487 536 S N 6.672 121.693 115.700 -1.132 0.000 2.548 536 S HA 0.644 5.115 4.470 0.001 0.000 0.278 536 S C -1.841 172.085 174.600 -1.122 0.000 1.150 536 S CA -0.639 57.049 58.200 -0.854 0.000 0.907 536 S CB 0.869 63.842 63.200 -0.380 0.000 1.108 536 S HN 0.853 nan 8.310 nan 0.000 0.459 537 I N 2.784 122.804 120.570 -0.917 0.000 2.769 537 I HA 0.557 4.727 4.170 0.001 0.000 0.298 537 I C -1.453 174.351 176.117 -0.521 0.000 1.128 537 I CA -0.516 60.286 61.300 -0.829 0.000 1.031 537 I CB 2.021 39.317 38.000 -1.174 0.000 1.235 537 I HN 0.552 nan 8.210 nan 0.000 0.423 538 Q N 5.987 125.496 119.800 -0.485 0.000 2.368 538 Q HA 0.397 4.737 4.340 0.001 0.000 0.263 538 Q C -1.247 174.515 176.000 -0.398 0.000 1.009 538 Q CA -0.531 55.056 55.803 -0.362 0.000 0.818 538 Q CB 2.117 30.648 28.738 -0.345 0.000 1.239 538 Q HN 0.427 nan 8.270 nan 0.000 0.464 539 V N 5.094 124.844 119.914 -0.272 0.000 2.277 539 V HA 0.345 4.466 4.120 0.001 0.000 0.269 539 V C 0.197 176.201 176.094 -0.150 0.000 1.036 539 V CA -0.431 61.718 62.300 -0.253 0.000 0.821 539 V CB 0.446 32.187 31.823 -0.136 0.000 1.052 539 V HN 0.545 nan 8.190 nan 0.000 0.462 540 L N 3.676 124.753 121.223 -0.243 0.000 2.307 540 L HA 0.458 4.798 4.340 0.001 0.000 0.282 540 L C 0.924 177.815 176.870 0.034 0.000 1.051 540 L CA -0.388 54.342 54.840 -0.183 0.000 0.804 540 L CB 1.879 43.424 42.059 -0.857 0.000 1.197 540 L HN 0.700 nan 8.230 nan 0.000 0.431 541 S N 0.981 116.823 115.700 0.237 0.000 2.560 541 S HA -0.060 4.411 4.470 0.001 0.000 0.323 541 S C 1.344 176.024 174.600 0.133 0.000 1.191 541 S CA -0.045 58.251 58.200 0.160 0.000 1.231 541 S CB 0.751 64.024 63.200 0.122 0.000 1.224 541 S HN 0.746 nan 8.310 nan 0.000 0.545 542 S N 3.820 119.557 115.700 0.062 0.000 2.455 542 S HA -0.197 4.273 4.470 0.001 0.000 0.252 542 S C 1.771 176.380 174.600 0.016 0.000 1.075 542 S CA 2.012 60.232 58.200 0.032 0.000 1.038 542 S CB -0.924 62.290 63.200 0.023 0.000 0.835 542 S HN 1.002 nan 8.310 nan 0.000 0.482 543 G N -1.180 107.622 108.800 0.004 0.000 2.441 543 G HA2 -0.025 3.935 3.960 0.001 0.000 0.212 543 G HA3 -0.025 3.935 3.960 0.001 0.000 0.212 543 G C 1.481 176.323 174.900 -0.097 0.000 1.164 543 G CA 0.799 45.877 45.100 -0.037 0.000 0.811 543 G HN 0.561 nan 8.290 nan 0.000 0.535 544 S N -0.637 114.978 115.700 -0.140 0.000 2.481 544 S HA 0.086 4.557 4.470 0.001 0.000 0.231 544 S C 0.374 174.588 174.600 -0.642 0.000 0.996 544 S CA 0.094 58.078 58.200 -0.360 0.000 0.942 544 S CB -0.101 62.849 63.200 -0.416 0.000 0.768 544 S HN 0.367 nan 8.310 nan 0.000 0.520 545 W N 1.507 122.593 121.300 -0.358 0.000 2.497 545 W HA 0.453 5.114 4.660 0.001 0.000 0.359 545 W C -1.857 174.371 176.519 -0.484 0.000 1.131 545 W CA -1.993 54.985 57.345 -0.610 0.000 1.280 545 W CB 0.428 29.174 29.460 -1.191 0.000 1.319 545 W HN -0.101 nan 8.180 nan 0.000 0.626 546 P HA 0.110 nan 4.420 nan 0.000 0.258 546 P C -0.182 177.250 177.300 0.219 0.000 1.416 546 P CA 0.133 63.235 63.100 0.003 0.000 0.927 546 P CB -0.080 31.638 31.700 0.030 0.000 1.444 547 F N 0.936 120.918 119.950 0.054 0.000 2.408 547 F HA 0.258 4.785 4.527 0.001 0.000 0.303 547 F C 0.920 176.711 175.800 -0.014 0.000 1.268 547 F CA -0.775 57.219 58.000 -0.009 0.000 1.218 547 F CB 0.402 39.369 39.000 -0.055 0.000 1.283 547 F HN -0.198 nan 8.300 nan 0.000 0.545 548 Q N 0.750 120.667 119.800 0.196 0.000 2.275 548 Q HA 0.118 4.458 4.340 0.001 0.000 0.258 548 Q C -0.057 175.988 176.000 0.075 0.000 0.960 548 Q CA -0.659 55.204 55.803 0.101 0.000 0.801 548 Q CB 2.681 31.459 28.738 0.067 0.000 1.302 548 Q HN 0.490 nan 8.270 nan 0.000 0.433 549 Q N 1.355 121.198 119.800 0.073 0.000 0.816 549 Q HA -0.125 4.215 4.340 0.001 0.000 0.842 549 Q C 0.829 176.884 176.000 0.093 0.000 0.877 549 Q CA 2.387 58.231 55.803 0.069 0.000 0.885 549 Q CB 0.054 28.837 28.738 0.075 0.000 0.965 549 Q HN 0.836 nan 8.270 nan 0.000 0.215 550 S N -3.131 112.647 115.700 0.130 0.000 5.436 550 S HA 0.065 4.535 4.470 0.001 0.000 0.141 550 S C 0.532 175.244 174.600 0.187 0.000 1.082 550 S CA 0.234 58.528 58.200 0.157 0.000 1.393 550 S CB 0.164 63.484 63.200 0.199 0.000 2.010 550 S HN 0.619 nan 8.310 nan 0.000 0.610 551 C N 3.245 122.679 119.300 0.223 0.000 4.005 551 C HA 0.585 5.045 4.460 0.001 0.000 0.365 551 C C 0.098 175.146 174.990 0.097 0.000 2.952 551 C CA -0.222 58.879 59.018 0.138 0.000 1.581 551 C CB -1.037 26.776 27.740 0.121 0.000 2.863 551 C HN 1.601 nan 8.230 nan 0.000 0.340 552 T N -0.988 113.661 114.554 0.158 0.000 2.109 552 T HA -0.229 4.121 4.350 0.001 0.000 0.561 552 T C -0.561 174.222 174.700 0.139 0.000 0.876 552 T CA 0.557 62.739 62.100 0.136 0.000 2.982 552 T CB -1.511 67.394 68.868 0.062 0.000 1.780 552 T HN 0.994 nan 8.240 nan 0.000 0.436 553 F N 2.779 122.726 119.950 -0.004 0.000 2.410 553 F HA 0.775 5.303 4.527 0.001 0.000 0.324 553 F C 0.939 176.615 175.800 -0.207 0.000 1.093 553 F CA -0.988 56.914 58.000 -0.163 0.000 1.028 553 F CB 1.438 40.331 39.000 -0.178 0.000 1.309 553 F HN 0.730 nan 8.300 nan 0.000 0.499 554 A N 2.705 124.955 122.820 -0.950 0.000 2.508 554 A HA 0.359 4.679 4.320 0.001 0.000 0.257 554 A C -0.221 176.857 177.584 -0.843 0.000 1.226 554 A CA -0.211 51.405 52.037 -0.702 0.000 0.947 554 A CB -0.303 18.391 19.000 -0.511 0.000 1.079 554 A HN 0.732 nan 8.150 nan 0.000 0.531 555 L N 0.874 121.261 121.223 -1.392 0.000 3.244 555 L HA -0.070 4.271 4.340 0.001 0.000 0.589 555 L C -2.476 174.076 176.870 -0.530 0.000 1.005 555 L CA 0.460 54.795 54.840 -0.842 0.000 1.258 555 L CB -1.040 40.728 42.059 -0.485 0.000 1.311 555 L HN 0.321 nan 8.230 nan 0.000 0.677 556 P HA 0.061 nan 4.420 nan 0.000 0.268 556 P C 1.052 178.272 177.300 -0.132 0.000 1.205 556 P CA 0.075 63.034 63.100 -0.236 0.000 0.771 556 P CB 0.714 32.339 31.700 -0.125 0.000 0.858 557 S N 1.914 117.550 115.700 -0.106 0.000 2.401 557 S HA -0.232 4.239 4.470 0.001 0.000 0.236 557 S C 1.654 176.239 174.600 -0.026 0.000 1.058 557 S CA 1.553 59.717 58.200 -0.061 0.000 1.151 557 S CB -0.800 62.370 63.200 -0.050 0.000 1.049 557 S HN 0.614 nan 8.310 nan 0.000 0.432 558 E N 0.510 120.702 120.200 -0.014 0.000 2.444 558 E HA -0.151 4.199 4.350 0.001 0.000 0.205 558 E C 1.323 177.946 176.600 0.039 0.000 1.054 558 E CA 0.729 57.137 56.400 0.013 0.000 0.873 558 E CB -0.219 29.492 29.700 0.018 0.000 0.793 558 E HN 0.525 nan 8.360 nan 0.000 0.549 559 L N -0.889 120.355 121.223 0.035 0.000 2.731 559 L HA 0.078 4.418 4.340 0.001 0.000 0.240 559 L C 1.980 178.888 176.870 0.064 0.000 1.120 559 L CA -0.148 54.736 54.840 0.073 0.000 0.913 559 L CB 0.189 42.304 42.059 0.095 0.000 1.213 559 L HN -0.089 nan 8.230 nan 0.000 0.515 560 E N 1.555 121.777 120.200 0.035 0.000 2.033 560 E HA -0.271 4.079 4.350 0.001 0.000 0.199 560 E C 2.105 178.736 176.600 0.053 0.000 1.011 560 E CA 1.761 58.191 56.400 0.050 0.000 0.815 560 E CB 0.058 29.766 29.700 0.013 0.000 0.755 560 E HN 0.159 nan 8.360 nan 0.000 0.451 561 R N -0.261 120.259 120.500 0.033 0.000 2.143 561 R HA -0.168 4.172 4.340 0.001 0.000 0.239 561 R C 2.521 178.831 176.300 0.017 0.000 1.126 561 R CA 2.317 58.433 56.100 0.027 0.000 0.927 561 R CB -0.790 29.529 30.300 0.031 0.000 0.860 561 R HN 0.132 nan 8.270 nan 0.000 0.433 562 S N -0.720 114.977 115.700 -0.005 0.000 2.419 562 S HA -0.178 4.293 4.470 0.001 0.000 0.235 562 S C 1.361 175.860 174.600 -0.168 0.000 1.019 562 S CA 1.188 59.270 58.200 -0.195 0.000 0.982 562 S CB -0.456 62.668 63.200 -0.127 0.000 0.789 562 S HN 0.404 nan 8.310 nan 0.000 0.490 563 Y N 2.381 122.579 120.300 -0.171 0.000 2.130 563 Y HA -0.066 4.485 4.550 0.001 0.000 0.287 563 Y C 2.260 178.088 175.900 -0.121 0.000 1.124 563 Y CA 1.303 59.229 58.100 -0.289 0.000 1.118 563 Y CB -1.089 37.125 38.460 -0.410 0.000 0.994 563 Y HN 0.252 nan 8.280 nan 0.000 0.497 564 Q N 0.045 119.754 119.800 -0.151 0.000 2.030 564 Q HA -0.242 4.098 4.340 0.001 0.000 0.204 564 Q C 2.381 178.379 176.000 -0.003 0.000 0.986 564 Q CA 2.025 57.708 55.803 -0.199 0.000 0.843 564 Q CB -0.321 28.344 28.738 -0.122 0.000 0.904 564 Q HN 0.427 nan 8.270 nan 0.000 0.420 565 R N -0.220 120.330 120.500 0.083 0.000 2.096 565 R HA -0.191 4.149 4.340 0.001 0.000 0.240 565 R C 2.089 178.608 176.300 0.364 0.000 1.139 565 R CA 1.967 58.206 56.100 0.232 0.000 0.952 565 R CB -0.351 30.119 30.300 0.283 0.000 0.854 565 R HN 0.277 nan 8.270 nan 0.000 0.436 566 F N 0.255 120.266 119.950 0.102 0.000 2.335 566 F HA -0.018 4.509 4.527 0.001 0.000 0.296 566 F C 2.235 178.232 175.800 0.330 0.000 1.091 566 F CA 1.068 59.100 58.000 0.054 0.000 1.399 566 F CB -0.306 38.468 39.000 -0.375 0.000 1.067 566 F HN -0.165 nan 8.300 nan 0.000 0.520 567 T N 0.270 115.072 114.554 0.414 0.000 2.803 567 T HA -0.158 4.192 4.350 0.001 0.000 0.269 567 T C 2.075 176.850 174.700 0.126 0.000 1.052 567 T CA 1.406 63.685 62.100 0.297 0.000 1.136 567 T CB -0.522 68.330 68.868 -0.027 0.000 0.864 567 T HN 0.410 nan 8.240 nan 0.000 0.467 568 A N 0.426 123.311 122.820 0.108 0.000 1.854 568 A HA 0.059 4.379 4.320 0.001 0.000 0.214 568 A C 1.963 179.577 177.584 0.049 0.000 1.192 568 A CA 1.264 53.347 52.037 0.077 0.000 0.611 568 A CB -1.115 17.952 19.000 0.111 0.000 0.832 568 A HN 0.563 nan 8.150 nan 0.000 0.442 569 F N -1.101 118.828 119.950 -0.036 0.000 2.287 569 F HA -0.213 4.314 4.527 0.001 0.000 0.301 569 F C 1.872 177.517 175.800 -0.258 0.000 1.069 569 F CA 1.764 59.671 58.000 -0.154 0.000 1.372 569 F CB -0.195 38.872 39.000 0.111 0.000 1.056 569 F HN 0.387 nan 8.300 nan 0.000 0.523 570 Y N -0.061 119.980 120.300 -0.431 0.000 2.517 570 Y HA 0.247 4.797 4.550 0.001 0.000 0.281 570 Y C 2.135 177.874 175.900 -0.268 0.000 1.125 570 Y CA 0.388 58.219 58.100 -0.448 0.000 1.283 570 Y CB -0.497 37.723 38.460 -0.400 0.000 1.042 570 Y HN 0.059 nan 8.280 nan 0.000 0.547 571 A N -0.810 121.904 122.820 -0.178 0.000 1.969 571 A HA -0.090 4.231 4.320 0.001 0.000 0.218 571 A C 1.832 179.257 177.584 -0.264 0.000 1.169 571 A CA 1.398 53.343 52.037 -0.154 0.000 0.635 571 A CB -0.814 18.143 19.000 -0.072 0.000 0.810 571 A HN 0.281 nan 8.150 nan 0.000 0.445 572 S N -0.528 114.952 115.700 -0.366 0.000 3.593 572 S HA 0.335 4.805 4.470 0.001 0.000 0.224 572 S C 0.732 175.027 174.600 -0.509 0.000 1.333 572 S CA 0.565 58.522 58.200 -0.406 0.000 1.164 572 S CB -0.245 62.674 63.200 -0.469 0.000 1.281 572 S HN 0.643 nan 8.310 nan 0.000 0.457 573 R N 0.391 120.596 120.500 -0.492 0.000 4.485 573 R HA 0.157 4.498 4.340 0.001 0.000 0.062 573 R C -0.786 175.234 176.300 -0.468 0.000 0.733 573 R CA -0.137 55.618 56.100 -0.576 0.000 1.826 573 R CB 0.333 30.119 30.300 -0.857 0.000 1.459 573 R HN 0.444 nan 8.270 nan 0.000 0.422 574 H N 0.937 119.764 119.070 -0.406 0.000 2.661 574 H HA 0.349 4.906 4.556 0.001 0.000 0.290 574 H C 0.299 175.532 175.328 -0.159 0.000 1.082 574 H CA -0.375 55.532 56.048 -0.234 0.000 1.234 574 H CB 1.879 31.518 29.762 -0.206 0.000 1.387 574 H HN 0.198 nan 8.280 nan 0.000 0.476 575 S N 2.709 118.406 115.700 -0.005 0.000 2.490 575 S HA -0.181 4.289 4.470 0.001 0.000 0.243 575 S C 1.399 176.008 174.600 0.015 0.000 1.052 575 S CA 1.591 59.782 58.200 -0.014 0.000 1.254 575 S CB -0.331 62.862 63.200 -0.011 0.000 1.191 575 S HN 0.787 nan 8.310 nan 0.000 0.422 576 G N 2.284 111.099 108.800 0.025 0.000 2.428 576 G HA2 0.535 4.496 3.960 0.001 0.000 0.320 576 G HA3 0.535 4.496 3.960 0.001 0.000 0.320 576 G C -0.675 174.261 174.900 0.060 0.000 1.098 576 G CA -0.623 44.503 45.100 0.043 0.000 0.984 576 G HN 0.388 nan 8.290 nan 0.000 0.444 577 R N 1.226 121.791 120.500 0.109 0.000 2.621 577 R HA 0.611 4.951 4.340 0.001 0.000 0.284 577 R C -1.039 175.406 176.300 0.241 0.000 0.998 577 R CA -2.132 54.077 56.100 0.182 0.000 0.895 577 R CB 1.012 31.495 30.300 0.304 0.000 1.195 577 R HN 0.348 nan 8.270 nan 0.000 0.450 578 K N 3.061 123.580 120.400 0.199 0.000 2.183 578 K HA 0.505 4.825 4.320 0.001 0.000 0.274 578 K C -0.980 175.734 176.600 0.190 0.000 1.009 578 K CA -0.466 55.936 56.287 0.191 0.000 0.888 578 K CB 0.998 33.578 32.500 0.134 0.000 1.078 578 K HN 0.694 nan 8.250 nan 0.000 0.459 579 L N 4.428 125.794 121.223 0.240 0.000 2.296 579 L HA 0.401 4.742 4.340 0.001 0.000 0.286 579 L C -0.319 176.707 176.870 0.260 0.000 1.023 579 L CA -0.845 54.090 54.840 0.158 0.000 0.812 579 L CB 1.831 44.010 42.059 0.200 0.000 1.223 579 L HN 0.868 nan 8.230 nan 0.000 0.421 580 T N -1.503 113.109 114.554 0.097 0.000 2.770 580 T HA 0.330 4.680 4.350 0.001 0.000 0.297 580 T C -0.865 173.833 174.700 -0.004 0.000 0.997 580 T CA -0.600 61.589 62.100 0.149 0.000 0.949 580 T CB 0.325 69.244 68.868 0.084 0.000 0.941 580 T HN 0.262 nan 8.240 nan 0.000 0.457 581 W N 3.783 124.955 121.300 -0.214 0.000 2.481 581 W HA 0.367 5.027 4.660 0.001 0.000 0.320 581 W C 0.391 176.496 176.519 -0.689 0.000 1.209 581 W CA -1.516 55.503 57.345 -0.543 0.000 1.400 581 W CB 0.057 28.983 29.460 -0.890 0.000 1.361 581 W HN 0.549 nan 8.180 nan 0.000 0.456 582 L N 5.440 126.444 121.223 -0.366 0.000 2.449 582 L HA -0.064 4.276 4.340 0.001 0.000 0.266 582 L C 0.696 177.369 176.870 -0.327 0.000 1.321 582 L CA -0.002 54.674 54.840 -0.274 0.000 1.194 582 L CB -0.693 41.229 42.059 -0.230 0.000 1.384 582 L HN 0.599 nan 8.230 nan 0.000 0.438 583 Y N 0.473 120.720 120.300 -0.088 0.000 2.352 583 Y HA -0.242 4.309 4.550 0.001 0.000 0.292 583 Y C 2.628 178.089 175.900 -0.732 0.000 1.136 583 Y CA 0.617 58.541 58.100 -0.294 0.000 1.227 583 Y CB 0.015 38.356 38.460 -0.199 0.000 0.991 583 Y HN 0.629 nan 8.280 nan 0.000 0.545 584 Q N 0.822 120.320 119.800 -0.503 0.000 2.291 584 Q HA -0.148 4.192 4.340 0.001 0.000 0.206 584 Q C 1.248 176.904 176.000 -0.573 0.000 0.976 584 Q CA 1.586 56.926 55.803 -0.772 0.000 0.875 584 Q CB -0.473 28.088 28.738 -0.294 0.000 0.927 584 Q HN 0.579 nan 8.270 nan 0.000 0.450 585 L N 1.797 122.762 121.223 -0.430 0.000 2.693 585 L HA 0.215 4.555 4.340 0.001 0.000 0.235 585 L C 0.685 177.369 176.870 -0.310 0.000 1.127 585 L CA -0.114 54.513 54.840 -0.356 0.000 0.914 585 L CB 0.501 42.318 42.059 -0.403 0.000 1.193 585 L HN 0.076 nan 8.230 nan 0.000 0.502 586 S N -0.171 115.337 115.700 -0.319 0.000 2.537 586 S HA 0.432 4.903 4.470 0.001 0.000 0.275 586 S C -0.122 174.328 174.600 -0.249 0.000 1.272 586 S CA -0.716 57.331 58.200 -0.257 0.000 1.050 586 S CB 1.916 65.025 63.200 -0.152 0.000 0.961 586 S HN 0.077 nan 8.310 nan 0.000 0.496 587 K N 0.959 121.218 120.400 -0.236 0.000 2.209 587 K HA 0.806 5.126 4.320 0.001 0.000 0.238 587 K C 0.250 176.777 176.600 -0.121 0.000 1.028 587 K CA -0.054 56.110 56.287 -0.204 0.000 0.935 587 K CB 0.861 33.226 32.500 -0.225 0.000 1.162 587 K HN 1.035 nan 8.250 nan 0.000 0.485 588 G N 0.474 109.217 108.800 -0.095 0.000 2.378 588 G HA2 0.119 4.080 3.960 0.001 0.000 0.302 588 G HA3 0.119 4.080 3.960 0.001 0.000 0.302 588 G C -1.737 173.144 174.900 -0.032 0.000 1.669 588 G CA -0.814 44.261 45.100 -0.043 0.000 0.920 588 G HN 0.430 nan 8.290 nan 0.000 0.697 589 E N 0.332 120.524 120.200 -0.013 0.000 2.222 589 E HA 0.706 5.056 4.350 0.001 0.000 0.272 589 E C -0.359 176.248 176.600 0.012 0.000 0.982 589 E CA -0.782 55.617 56.400 -0.002 0.000 0.842 589 E CB 2.456 32.155 29.700 -0.001 0.000 1.144 589 E HN 0.329 nan 8.360 nan 0.000 0.397 590 L N 1.344 122.577 121.223 0.017 0.000 2.341 590 L HA 0.609 4.949 4.340 0.001 0.000 0.267 590 L C -0.984 175.897 176.870 0.019 0.000 1.009 590 L CA -1.160 53.689 54.840 0.016 0.000 0.819 590 L CB 2.126 44.193 42.059 0.013 0.000 1.323 590 L HN 0.280 nan 8.230 nan 0.000 0.425 591 V N 0.347 120.263 119.914 0.002 0.000 2.524 591 V HA 0.290 4.410 4.120 0.001 0.000 0.297 591 V C -0.045 176.027 176.094 -0.037 0.000 1.035 591 V CA -0.624 61.676 62.300 -0.001 0.000 0.867 591 V CB 2.128 33.949 31.823 -0.004 0.000 1.004 591 V HN 0.881 nan 8.190 nan 0.000 0.426 592 T N 1.121 115.649 114.554 -0.043 0.000 2.909 592 T HA 0.433 4.783 4.350 0.001 0.000 0.289 592 T C 0.381 175.005 174.700 -0.126 0.000 1.005 592 T CA -0.641 61.370 62.100 -0.150 0.000 1.084 592 T CB 1.404 70.142 68.868 -0.216 0.000 0.975 592 T HN 0.565 nan 8.240 nan 0.000 0.509 593 N N 0.357 118.955 118.700 -0.171 0.000 2.168 593 N HA 0.071 4.811 4.740 0.001 0.000 0.216 593 N C 1.803 177.249 175.510 -0.108 0.000 1.259 593 N CA 0.416 53.404 53.050 -0.103 0.000 0.902 593 N CB 0.033 38.475 38.487 -0.075 0.000 1.079 593 N HN 0.866 nan 8.380 nan 0.000 0.507 594 C N -0.121 119.043 119.300 -0.225 0.000 2.475 594 C HA 0.326 4.786 4.460 0.001 0.000 0.279 594 C C 1.350 176.345 174.990 0.010 0.000 1.322 594 C CA -0.606 58.309 59.018 -0.173 0.000 1.734 594 C CB -1.675 25.889 27.740 -0.294 0.000 2.005 594 C HN 0.023 nan 8.230 nan 0.000 0.495 595 F N 2.788 122.783 119.950 0.075 0.000 2.399 595 F HA 0.219 4.746 4.527 0.001 0.000 0.342 595 F C 1.359 177.221 175.800 0.103 0.000 1.106 595 F CA -0.880 57.196 58.000 0.127 0.000 1.196 595 F CB 0.700 39.889 39.000 0.315 0.000 1.163 595 F HN 0.155 nan 8.300 nan 0.000 0.547 596 K N 2.275 122.834 120.400 0.266 0.000 3.256 596 K HA 0.114 4.434 4.320 0.001 0.000 0.285 596 K C -0.829 175.842 176.600 0.117 0.000 1.086 596 K CA 0.353 56.722 56.287 0.137 0.000 1.125 596 K CB -0.597 31.952 32.500 0.081 0.000 1.292 596 K HN 0.759 nan 8.250 nan 0.000 0.312 597 N N 0.366 119.128 118.700 0.103 0.000 4.107 597 N HA 0.040 4.780 4.740 0.001 0.000 0.213 597 N C -1.908 173.416 175.510 -0.310 0.000 1.216 597 N CA -0.969 52.009 53.050 -0.120 0.000 0.925 597 N CB 1.234 39.627 38.487 -0.156 0.000 1.541 597 N HN 0.147 nan 8.380 nan 0.000 0.524 598 R N 2.365 122.615 120.500 -0.417 0.000 2.205 598 R HA 0.351 4.691 4.340 0.001 0.000 0.342 598 R C -1.654 174.354 176.300 -0.487 0.000 1.058 598 R CA 0.094 56.001 56.100 -0.321 0.000 0.904 598 R CB -0.327 29.872 30.300 -0.168 0.000 1.089 598 R HN 0.346 nan 8.270 nan 0.000 0.471 599 Y N 1.170 121.547 120.300 0.129 0.000 2.420 599 Y HA 0.399 4.950 4.550 0.001 0.000 0.334 599 Y C 0.477 176.424 175.900 0.079 0.000 1.094 599 Y CA -0.767 57.416 58.100 0.139 0.000 1.126 599 Y CB 2.361 40.971 38.460 0.250 0.000 1.217 599 Y HN 0.355 nan 8.280 nan 0.000 0.462 600 T N 4.677 119.353 114.554 0.204 0.000 2.963 600 T HA 0.386 4.736 4.350 0.001 0.000 0.343 600 T C -0.412 174.363 174.700 0.124 0.000 1.146 600 T CA -0.644 61.525 62.100 0.115 0.000 1.016 600 T CB -0.342 68.567 68.868 0.068 0.000 1.046 600 T HN 0.332 nan 8.240 nan 0.000 0.496 601 L N 3.561 124.850 121.223 0.109 0.000 2.418 601 L HA 0.283 4.624 4.340 0.001 0.000 0.274 601 L C 0.790 177.681 176.870 0.035 0.000 1.135 601 L CA -0.299 54.586 54.840 0.075 0.000 0.870 601 L CB 0.266 42.358 42.059 0.054 0.000 1.154 601 L HN 0.433 nan 8.230 nan 0.000 0.462 602 Q N 3.626 123.439 119.800 0.020 0.000 2.377 602 Q HA 0.609 4.949 4.340 0.001 0.000 0.249 602 Q C -0.449 175.534 176.000 -0.028 0.000 1.005 602 Q CA -0.307 55.489 55.803 -0.012 0.000 0.912 602 Q CB 1.800 30.526 28.738 -0.020 0.000 1.223 602 Q HN 0.770 nan 8.270 nan 0.000 0.459 603 A N 1.875 124.672 122.820 -0.038 0.000 2.515 603 A HA 0.653 4.974 4.320 0.001 0.000 0.296 603 A C -0.125 177.412 177.584 -0.080 0.000 1.094 603 A CA -0.735 51.274 52.037 -0.046 0.000 0.718 603 A CB 1.453 20.445 19.000 -0.015 0.000 1.307 603 A HN 0.696 nan 8.150 nan 0.000 0.408 604 S N 0.098 115.738 115.700 -0.099 0.000 2.580 604 S HA 0.181 4.651 4.470 0.001 0.000 0.266 604 S C 0.964 175.486 174.600 -0.131 0.000 1.354 604 S CA 0.814 58.913 58.200 -0.168 0.000 1.008 604 S CB 0.379 63.464 63.200 -0.192 0.000 0.898 604 S HN 0.743 nan 8.310 nan 0.000 0.555 605 T N 1.573 115.992 114.554 -0.225 0.000 2.821 605 T HA -0.020 4.330 4.350 0.001 0.000 0.267 605 T C 1.271 175.967 174.700 -0.006 0.000 1.046 605 T CA 1.468 63.489 62.100 -0.131 0.000 1.139 605 T CB -0.596 68.142 68.868 -0.217 0.000 0.871 605 T HN 0.629 nan 8.240 nan 0.000 0.454 606 F N 1.501 121.289 119.950 -0.270 0.000 2.186 606 F HA -0.130 4.397 4.527 0.001 0.000 0.299 606 F C 2.865 178.662 175.800 -0.006 0.000 1.090 606 F CA 0.532 58.430 58.000 -0.170 0.000 1.307 606 F CB -0.296 38.599 39.000 -0.175 0.000 1.019 606 F HN 0.204 nan 8.300 nan 0.000 0.489 607 Q N 0.168 120.063 119.800 0.159 0.000 2.079 607 Q HA -0.204 4.136 4.340 0.001 0.000 0.200 607 Q C 2.205 178.266 176.000 0.102 0.000 0.974 607 Q CA 1.482 57.348 55.803 0.105 0.000 0.840 607 Q CB -0.234 28.532 28.738 0.048 0.000 0.898 607 Q HN 0.509 nan 8.270 nan 0.000 0.430 608 M N 0.199 119.856 119.600 0.095 0.000 2.159 608 M HA -0.156 4.325 4.480 0.001 0.000 0.263 608 M C 2.366 178.736 176.300 0.115 0.000 1.063 608 M CA 1.364 56.718 55.300 0.089 0.000 1.110 608 M CB -0.365 32.285 32.600 0.082 0.000 1.374 608 M HN 0.256 nan 8.290 nan 0.000 0.411 609 A N 1.257 124.198 122.820 0.202 0.000 1.858 609 A HA -0.172 4.148 4.320 0.001 0.000 0.216 609 A C 2.104 179.720 177.584 0.054 0.000 1.190 609 A CA 1.946 54.094 52.037 0.186 0.000 0.617 609 A CB -0.958 18.313 19.000 0.452 0.000 0.827 609 A HN 0.631 nan 8.150 nan 0.000 0.443 610 I N -1.983 118.635 120.570 0.080 0.000 2.315 610 I HA -0.150 4.021 4.170 0.001 0.000 0.248 610 I C 2.052 178.215 176.117 0.077 0.000 1.117 610 I CA 1.437 62.747 61.300 0.016 0.000 1.404 610 I CB -0.251 37.791 38.000 0.070 0.000 1.071 610 I HN 0.249 nan 8.210 nan 0.000 0.419 611 L N 0.385 121.685 121.223 0.127 0.000 2.056 611 L HA -0.101 4.240 4.340 0.001 0.000 0.207 611 L C 2.570 179.514 176.870 0.122 0.000 1.078 611 L CA 1.269 56.218 54.840 0.182 0.000 0.749 611 L CB -0.557 41.559 42.059 0.096 0.000 0.901 611 L HN 0.326 nan 8.230 nan 0.000 0.433 612 L N -0.573 120.671 121.223 0.035 0.000 2.450 612 L HA -0.194 4.147 4.340 0.001 0.000 0.224 612 L C 2.560 179.386 176.870 -0.074 0.000 1.149 612 L CA 0.506 55.342 54.840 -0.008 0.000 0.816 612 L CB -0.466 41.584 42.059 -0.015 0.000 0.932 612 L HN 0.355 nan 8.230 nan 0.000 0.449 613 Q N -0.830 118.864 119.800 -0.176 0.000 2.297 613 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 613 Q C 1.562 177.262 176.000 -0.500 0.000 0.962 613 Q CA 1.289 56.827 55.803 -0.443 0.000 0.879 613 Q CB -0.015 28.259 28.738 -0.773 0.000 0.947 613 Q HN 0.553 nan 8.270 nan 0.000 0.462 614 Y N -0.007 120.237 120.300 -0.093 0.000 2.529 614 Y HA 0.065 4.615 4.550 0.001 0.000 0.290 614 Y C 1.598 177.528 175.900 0.050 0.000 1.177 614 Y CA 0.052 58.173 58.100 0.036 0.000 1.305 614 Y CB 0.101 38.582 38.460 0.036 0.000 1.047 614 Y HN 0.097 nan 8.280 nan 0.000 0.522 615 N N -0.056 118.688 118.700 0.073 0.000 2.609 615 N HA -0.069 4.671 4.740 0.001 0.000 0.190 615 N C 0.988 176.531 175.510 0.054 0.000 1.157 615 N CA 1.297 54.375 53.050 0.047 0.000 0.918 615 N CB 0.114 38.605 38.487 0.008 0.000 0.978 615 N HN 0.479 nan 8.380 nan 0.000 0.448 616 T N -2.864 111.742 114.554 0.087 0.000 2.213 616 T HA 0.267 4.618 4.350 0.001 0.000 0.184 616 T C -0.204 174.560 174.700 0.106 0.000 0.716 616 T CA -0.597 61.552 62.100 0.082 0.000 1.296 616 T CB 0.402 69.315 68.868 0.074 0.000 2.422 616 T HN -0.265 nan 8.240 nan 0.000 0.446 617 E N 2.664 122.898 120.200 0.056 0.000 2.694 617 E HA 0.038 4.389 4.350 0.001 0.000 0.250 617 E C 0.749 177.431 176.600 0.137 0.000 0.963 617 E CA 0.346 56.729 56.400 -0.028 0.000 0.949 617 E CB 0.105 29.639 29.700 -0.275 0.000 0.911 617 E HN 0.435 nan 8.360 nan 0.000 0.500 618 D N 2.438 122.945 120.400 0.178 0.000 2.190 618 D HA -0.158 4.482 4.640 0.001 0.000 0.200 618 D C 0.233 176.892 176.300 0.599 0.000 0.992 618 D CA 1.337 55.549 54.000 0.353 0.000 0.854 618 D CB 0.124 41.043 40.800 0.199 0.000 0.936 618 D HN 0.379 nan 8.370 nan 0.000 0.462 619 A N -0.022 123.041 122.820 0.406 0.000 2.442 619 A HA 0.486 4.806 4.320 0.001 0.000 0.284 619 A C -1.596 176.162 177.584 0.290 0.000 1.058 619 A CA -0.702 51.610 52.037 0.458 0.000 0.738 619 A CB 0.961 20.096 19.000 0.224 0.000 1.242 619 A HN -0.065 nan 8.150 nan 0.000 0.421 620 Y N 0.657 121.074 120.300 0.195 0.000 2.487 620 Y HA 0.655 5.205 4.550 0.001 0.000 0.337 620 Y C 1.350 177.294 175.900 0.074 0.000 1.076 620 Y CA -0.206 57.925 58.100 0.052 0.000 1.115 620 Y CB 1.956 40.373 38.460 -0.072 0.000 1.235 620 Y HN 0.794 nan 8.280 nan 0.000 0.468 621 T N -2.397 112.261 114.554 0.172 0.000 2.770 621 T HA 0.241 4.591 4.350 0.001 0.000 0.281 621 T C 1.124 175.894 174.700 0.117 0.000 0.981 621 T CA -0.508 61.661 62.100 0.116 0.000 0.955 621 T CB 0.583 69.490 68.868 0.064 0.000 1.060 621 T HN 0.366 nan 8.240 nan 0.000 0.531 622 V N 1.121 121.082 119.914 0.077 0.000 2.295 622 V HA -0.136 3.985 4.120 0.001 0.000 0.246 622 V C 3.051 179.170 176.094 0.041 0.000 1.049 622 V CA 2.315 64.649 62.300 0.057 0.000 1.024 622 V CB -1.174 30.672 31.823 0.038 0.000 0.648 622 V HN 0.959 nan 8.190 nan 0.000 0.447 623 Q N 0.271 120.092 119.800 0.036 0.000 2.096 623 Q HA -0.270 4.071 4.340 0.001 0.000 0.208 623 Q C 2.260 178.278 176.000 0.030 0.000 0.993 623 Q CA 2.173 57.990 55.803 0.023 0.000 0.862 623 Q CB -0.424 28.325 28.738 0.019 0.000 0.915 623 Q HN 0.720 nan 8.270 nan 0.000 0.416 624 Q N -0.811 119.027 119.800 0.064 0.000 2.112 624 Q HA -0.179 4.162 4.340 0.001 0.000 0.206 624 Q C 1.813 177.852 176.000 0.066 0.000 0.987 624 Q CA 1.267 57.135 55.803 0.108 0.000 0.858 624 Q CB -0.203 28.671 28.738 0.227 0.000 0.905 624 Q HN 0.354 nan 8.270 nan 0.000 0.420 625 L N 0.445 121.680 121.223 0.020 0.000 2.131 625 L HA -0.052 4.288 4.340 0.001 0.000 0.206 625 L C 2.138 178.966 176.870 -0.070 0.000 1.087 625 L CA 1.571 56.364 54.840 -0.078 0.000 0.767 625 L CB -1.520 40.495 42.059 -0.073 0.000 0.917 625 L HN 0.258 nan 8.230 nan 0.000 0.441 626 T N -2.045 112.485 114.554 -0.039 0.000 3.227 626 T HA -0.033 4.317 4.350 0.001 0.000 0.257 626 T C 0.948 175.617 174.700 -0.051 0.000 1.162 626 T CA 0.625 62.695 62.100 -0.049 0.000 1.051 626 T CB 0.046 68.895 68.868 -0.031 0.000 0.953 626 T HN 0.213 nan 8.240 nan 0.000 0.535 627 D N 0.722 121.093 120.400 -0.048 0.000 2.626 627 D HA 0.050 4.690 4.640 0.001 0.000 0.274 627 D C 2.337 178.594 176.300 -0.071 0.000 1.045 627 D CA 0.762 54.734 54.000 -0.047 0.000 0.925 627 D CB -0.023 40.764 40.800 -0.022 0.000 1.260 627 D HN 0.401 nan 8.370 nan 0.000 0.490 628 S N -0.120 115.532 115.700 -0.080 0.000 2.362 628 S HA -0.139 4.332 4.470 0.001 0.000 0.221 628 S C 2.120 176.614 174.600 -0.176 0.000 1.032 628 S CA 1.742 59.874 58.200 -0.114 0.000 0.973 628 S CB -1.096 62.034 63.200 -0.118 0.000 0.849 628 S HN 0.312 nan 8.310 nan 0.000 0.465 629 T N -2.264 112.181 114.554 -0.181 0.000 3.055 629 T HA 0.036 4.387 4.350 0.001 0.000 0.265 629 T C 0.991 175.554 174.700 -0.227 0.000 1.111 629 T CA 0.935 62.902 62.100 -0.221 0.000 1.118 629 T CB -0.560 68.230 68.868 -0.130 0.000 0.909 629 T HN 0.187 nan 8.240 nan 0.000 0.501 630 Q N -0.061 119.644 119.800 -0.159 0.000 2.439 630 Q HA -0.124 4.216 4.340 0.001 0.000 0.247 630 Q C -0.537 175.398 176.000 -0.109 0.000 0.899 630 Q CA 0.486 56.214 55.803 -0.125 0.000 1.201 630 Q CB -1.912 26.740 28.738 -0.144 0.000 1.608 630 Q HN 0.624 nan 8.270 nan 0.000 0.563 631 I N 1.936 122.426 120.570 -0.134 0.000 2.278 631 I HA 0.081 4.252 4.170 0.001 0.000 0.296 631 I C 0.969 176.992 176.117 -0.157 0.000 1.121 631 I CA -0.178 60.995 61.300 -0.211 0.000 1.267 631 I CB 0.362 38.170 38.000 -0.320 0.000 1.447 631 I HN -0.105 nan 8.210 nan 0.000 0.509 632 K N 6.136 126.470 120.400 -0.109 0.000 2.441 632 K HA -0.177 4.143 4.320 0.001 0.000 0.256 632 K C 1.348 177.917 176.600 -0.052 0.000 1.051 632 K CA 0.288 56.538 56.287 -0.063 0.000 1.154 632 K CB 0.520 32.996 32.500 -0.040 0.000 0.768 632 K HN 0.516 nan 8.250 nan 0.000 0.482 633 M N 2.511 122.092 119.600 -0.032 0.000 2.308 633 M HA -0.292 4.188 4.480 0.001 0.000 0.257 633 M C 1.230 177.523 176.300 -0.012 0.000 1.070 633 M CA 2.122 57.411 55.300 -0.019 0.000 1.080 633 M CB -1.003 31.592 32.600 -0.008 0.000 1.274 633 M HN 0.552 nan 8.290 nan 0.000 0.434 634 D N 0.224 120.621 120.400 -0.005 0.000 2.218 634 D HA -0.198 4.443 4.640 0.001 0.000 0.194 634 D C 1.774 178.079 176.300 0.008 0.000 1.007 634 D CA 1.378 55.380 54.000 0.004 0.000 0.879 634 D CB -0.321 40.484 40.800 0.009 0.000 0.918 634 D HN 0.378 nan 8.370 nan 0.000 0.449 635 I N -0.459 120.109 120.570 -0.003 0.000 2.927 635 I HA 0.032 4.202 4.170 0.001 0.000 0.268 635 I C 2.436 178.552 176.117 -0.002 0.000 1.153 635 I CA 0.117 61.422 61.300 0.008 0.000 1.459 635 I CB -0.937 37.062 38.000 -0.002 0.000 1.149 635 I HN 0.065 nan 8.210 nan 0.000 0.443 636 L N 1.363 122.565 121.223 -0.036 0.000 1.955 636 L HA -0.252 4.088 4.340 0.001 0.000 0.213 636 L C 2.863 179.738 176.870 0.008 0.000 1.072 636 L CA 1.981 56.805 54.840 -0.026 0.000 0.755 636 L CB -0.398 41.642 42.059 -0.032 0.000 0.888 636 L HN 0.225 nan 8.230 nan 0.000 0.432 637 A N -0.489 122.336 122.820 0.008 0.000 1.909 637 A HA -0.365 3.955 4.320 0.001 0.000 0.221 637 A C 2.029 179.626 177.584 0.020 0.000 1.223 637 A CA 2.493 54.539 52.037 0.015 0.000 0.658 637 A CB -0.890 18.117 19.000 0.012 0.000 0.831 637 A HN 0.673 nan 8.150 nan 0.000 0.462 638 Q N -0.956 118.858 119.800 0.023 0.000 2.170 638 Q HA -0.082 4.258 4.340 0.001 0.000 0.203 638 Q C 2.148 178.168 176.000 0.034 0.000 0.976 638 Q CA 1.502 57.321 55.803 0.027 0.000 0.858 638 Q CB -0.333 28.423 28.738 0.030 0.000 0.907 638 Q HN 0.569 nan 8.270 nan 0.000 0.433 639 V N 0.966 120.908 119.914 0.046 0.000 2.407 639 V HA -0.181 3.939 4.120 0.001 0.000 0.245 639 V C 2.149 178.269 176.094 0.045 0.000 1.041 639 V CA 1.128 63.464 62.300 0.059 0.000 1.040 639 V CB -0.362 31.519 31.823 0.098 0.000 0.671 639 V HN 0.304 nan 8.190 nan 0.000 0.455 640 L N 0.008 121.255 121.223 0.040 0.000 2.191 640 L HA -0.241 4.099 4.340 0.001 0.000 0.212 640 L C 2.605 179.489 176.870 0.023 0.000 1.103 640 L CA 1.687 56.549 54.840 0.037 0.000 0.769 640 L CB -0.507 41.575 42.059 0.039 0.000 0.908 640 L HN 0.437 nan 8.230 nan 0.000 0.438 641 Q N 0.962 120.774 119.800 0.020 0.000 2.030 641 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 641 Q C 2.166 178.171 176.000 0.008 0.000 0.986 641 Q CA 2.019 57.829 55.803 0.011 0.000 0.843 641 Q CB -0.148 28.597 28.738 0.011 0.000 0.904 641 Q HN 0.485 nan 8.270 nan 0.000 0.420 642 I N 0.099 120.677 120.570 0.013 0.000 2.142 642 I HA -0.262 3.908 4.170 0.001 0.000 0.240 642 I C 2.136 178.259 176.117 0.008 0.000 1.078 642 I CA 0.715 62.021 61.300 0.010 0.000 1.343 642 I CB -0.440 37.567 38.000 0.013 0.000 1.046 642 I HN 0.328 nan 8.210 nan 0.000 0.405 643 L N 0.511 121.742 121.223 0.012 0.000 2.127 643 L HA -0.198 4.142 4.340 0.001 0.000 0.211 643 L C 2.501 179.367 176.870 -0.006 0.000 1.089 643 L CA 1.949 56.792 54.840 0.004 0.000 0.757 643 L CB -0.931 41.136 42.059 0.013 0.000 0.899 643 L HN 0.336 nan 8.230 nan 0.000 0.434 644 L N -0.761 120.459 121.223 -0.006 0.000 2.044 644 L HA -0.192 4.148 4.340 0.001 0.000 0.205 644 L C 2.504 179.362 176.870 -0.020 0.000 1.075 644 L CA 0.781 55.609 54.840 -0.020 0.000 0.747 644 L CB -0.485 41.563 42.059 -0.019 0.000 0.903 644 L HN 0.095 nan 8.230 nan 0.000 0.435 645 K N 0.785 121.178 120.400 -0.011 0.000 2.211 645 K HA -0.086 4.234 4.320 0.001 0.000 0.204 645 K C 0.708 177.308 176.600 -0.001 0.000 1.047 645 K CA 0.798 57.078 56.287 -0.012 0.000 0.935 645 K CB -0.252 32.244 32.500 -0.007 0.000 0.728 645 K HN 0.415 nan 8.250 nan 0.000 0.452 646 S N -0.578 115.133 115.700 0.019 0.000 2.565 646 S HA 0.347 4.817 4.470 0.001 0.000 0.290 646 S C 0.050 174.692 174.600 0.069 0.000 1.150 646 S CA -0.940 57.299 58.200 0.064 0.000 1.058 646 S CB 1.857 65.093 63.200 0.061 0.000 1.032 646 S HN 0.077 nan 8.310 nan 0.000 0.510 647 K N 1.198 121.689 120.400 0.152 0.000 2.708 647 K HA 0.311 4.632 4.320 0.001 0.000 0.219 647 K C 0.568 177.327 176.600 0.265 0.000 1.068 647 K CA -0.047 56.327 56.287 0.145 0.000 1.212 647 K CB -0.643 31.950 32.500 0.155 0.000 0.978 647 K HN 0.619 nan 8.250 nan 0.000 0.475 648 L N 0.212 121.456 121.223 0.035 0.000 2.201 648 L HA -0.081 4.260 4.340 0.001 0.000 0.212 648 L C 0.553 177.397 176.870 -0.044 0.000 1.105 648 L CA 0.800 55.522 54.840 -0.197 0.000 0.775 648 L CB -0.134 41.795 42.059 -0.217 0.000 0.913 648 L HN 0.156 nan 8.230 nan 0.000 0.440 649 L N 0.085 121.279 121.223 -0.048 0.000 2.341 649 L HA 0.660 5.000 4.340 0.001 0.000 0.267 649 L C -0.451 176.375 176.870 -0.073 0.000 1.009 649 L CA -0.638 54.146 54.840 -0.094 0.000 0.819 649 L CB 2.027 44.019 42.059 -0.113 0.000 1.323 649 L HN -0.233 nan 8.230 nan 0.000 0.425 650 V N 0.044 119.908 119.914 -0.084 0.000 2.891 650 V HA 0.554 4.674 4.120 0.001 0.000 0.304 650 V C -0.598 175.454 176.094 -0.071 0.000 1.171 650 V CA -0.807 61.410 62.300 -0.137 0.000 0.943 650 V CB 1.910 33.598 31.823 -0.225 0.000 1.037 650 V HN 0.602 nan 8.190 nan 0.000 0.427 651 L N 1.905 123.093 121.223 -0.058 0.000 2.454 651 L HA 0.468 4.808 4.340 0.001 0.000 0.256 651 L C 1.735 178.591 176.870 -0.024 0.000 1.136 651 L CA -0.427 54.400 54.840 -0.021 0.000 0.804 651 L CB 1.430 43.472 42.059 -0.028 0.000 1.181 651 L HN 0.961 nan 8.230 nan 0.000 0.469 652 E N -0.024 120.175 120.200 -0.003 0.000 2.048 652 E HA -0.234 4.117 4.350 0.001 0.000 0.202 652 E C 0.190 176.781 176.600 -0.016 0.000 1.021 652 E CA 1.132 57.531 56.400 -0.002 0.000 0.825 652 E CB -0.500 29.205 29.700 0.008 0.000 0.756 652 E HN 0.490 nan 8.360 nan 0.000 0.454 653 D N 0.501 120.890 120.400 -0.018 0.000 2.359 653 D HA 0.031 4.671 4.640 0.001 0.000 0.250 653 D C -0.001 176.274 176.300 -0.040 0.000 1.264 653 D CA 0.000 53.986 54.000 -0.024 0.000 0.911 653 D CB 0.539 41.328 40.800 -0.018 0.000 1.056 653 D HN -0.062 nan 8.370 nan 0.000 0.499 654 E N 2.168 122.340 120.200 -0.047 0.000 2.401 654 E HA -0.124 4.226 4.350 0.001 0.000 0.199 654 E C 0.964 177.528 176.600 -0.061 0.000 1.023 654 E CA 0.522 56.881 56.400 -0.069 0.000 0.859 654 E CB 0.030 29.690 29.700 -0.067 0.000 0.780 654 E HN 0.386 nan 8.360 nan 0.000 0.523 655 N N -0.171 118.503 118.700 -0.043 0.000 2.356 655 N HA 0.110 4.850 4.740 0.001 0.000 0.178 655 N C -0.423 175.067 175.510 -0.034 0.000 1.075 655 N CA 0.374 53.402 53.050 -0.036 0.000 0.889 655 N CB 0.182 38.654 38.487 -0.026 0.000 0.999 655 N HN 0.070 nan 8.380 nan 0.000 0.464 656 A N 0.961 123.761 122.820 -0.034 0.000 2.580 656 A HA -0.045 4.275 4.320 0.001 0.000 0.244 656 A C 0.459 178.024 177.584 -0.032 0.000 1.045 656 A CA 0.021 52.041 52.037 -0.028 0.000 0.761 656 A CB -0.296 18.688 19.000 -0.027 0.000 0.962 656 A HN 0.378 nan 8.150 nan 0.000 0.512 657 N N 3.310 121.995 118.700 -0.025 0.000 3.124 657 N HA 0.104 4.844 4.740 0.001 0.000 0.284 657 N C 1.378 176.875 175.510 -0.022 0.000 1.209 657 N CA 0.255 53.290 53.050 -0.025 0.000 1.149 657 N CB -0.294 38.182 38.487 -0.019 0.000 1.434 657 N HN 0.744 nan 8.380 nan 0.000 0.529 658 V N -0.061 119.837 119.914 -0.027 0.000 2.319 658 V HA -0.337 3.783 4.120 0.001 0.000 0.264 658 V C 1.503 177.588 176.094 -0.015 0.000 1.107 658 V CA 2.384 64.671 62.300 -0.022 0.000 1.101 658 V CB -0.872 30.934 31.823 -0.029 0.000 0.704 658 V HN 0.399 nan 8.190 nan 0.000 0.454 659 D N -0.794 119.597 120.400 -0.016 0.000 2.378 659 D HA 0.020 4.661 4.640 0.001 0.000 0.227 659 D C 1.889 178.184 176.300 -0.008 0.000 1.012 659 D CA 0.894 54.887 54.000 -0.011 0.000 0.905 659 D CB 0.047 40.839 40.800 -0.012 0.000 0.895 659 D HN 0.721 nan 8.370 nan 0.000 0.532 660 E N -1.302 118.892 120.200 -0.008 0.000 2.614 660 E HA 0.080 4.430 4.350 0.001 0.000 0.201 660 E C 0.286 176.883 176.600 -0.005 0.000 0.889 660 E CA 0.042 56.438 56.400 -0.006 0.000 1.564 660 E CB 0.640 30.336 29.700 -0.007 0.000 1.623 660 E HN -0.016 nan 8.360 nan 0.000 0.898 661 V N 5.041 124.951 119.914 -0.007 0.000 2.901 661 V HA -0.068 4.052 4.120 0.001 0.000 0.307 661 V C 0.585 176.678 176.094 -0.001 0.000 1.084 661 V CA 0.390 62.687 62.300 -0.005 0.000 1.184 661 V CB 0.322 32.141 31.823 -0.008 0.000 0.941 661 V HN 0.169 nan 8.190 nan 0.000 0.493 662 E N 4.909 125.110 120.200 0.001 0.000 2.156 662 E HA 0.374 4.725 4.350 0.001 0.000 0.279 662 E C -0.894 175.710 176.600 0.006 0.000 0.965 662 E CA -0.811 55.591 56.400 0.004 0.000 0.789 662 E CB 1.504 31.206 29.700 0.004 0.000 1.098 662 E HN 0.557 nan 8.360 nan 0.000 0.397 663 L N 3.164 124.393 121.223 0.008 0.000 2.369 663 L HA 0.239 4.579 4.340 0.001 0.000 0.279 663 L C 0.533 177.410 176.870 0.012 0.000 1.108 663 L CA 0.006 54.853 54.840 0.012 0.000 0.852 663 L CB 0.350 42.418 42.059 0.015 0.000 1.169 663 L HN 0.326 nan 8.230 nan 0.000 0.452 664 K N 5.047 125.456 120.400 0.014 0.000 2.323 664 K HA 0.300 4.621 4.320 0.001 0.000 0.259 664 K C -1.785 174.825 176.600 0.017 0.000 0.947 664 K CA -1.770 54.524 56.287 0.013 0.000 0.819 664 K CB 1.983 34.489 32.500 0.010 0.000 1.109 664 K HN 0.134 nan 8.250 nan 0.000 0.429 665 P HA -0.336 nan 4.420 nan 0.000 0.229 665 P C 0.561 177.875 177.300 0.023 0.000 1.152 665 P CA 1.801 64.912 63.100 0.017 0.000 0.915 665 P CB 0.136 31.843 31.700 0.011 0.000 0.784 666 D N -2.231 118.180 120.400 0.019 0.000 2.333 666 D HA -0.047 4.594 4.640 0.001 0.000 0.208 666 D C 0.233 176.548 176.300 0.026 0.000 0.984 666 D CA 0.522 54.534 54.000 0.020 0.000 0.873 666 D CB -1.210 39.598 40.800 0.013 0.000 0.935 666 D HN 0.213 nan 8.370 nan 0.000 0.521 667 T N 0.377 114.947 114.554 0.027 0.000 2.784 667 T HA 0.253 4.603 4.350 0.001 0.000 0.291 667 T C 0.456 175.185 174.700 0.048 0.000 0.942 667 T CA -0.921 61.197 62.100 0.031 0.000 1.161 667 T CB 0.691 69.573 68.868 0.025 0.000 0.885 667 T HN -0.079 nan 8.240 nan 0.000 0.534 668 L N 3.354 124.607 121.223 0.050 0.000 2.503 668 L HA 0.234 4.574 4.340 0.001 0.000 0.287 668 L C 0.276 177.200 176.870 0.091 0.000 1.252 668 L CA 0.361 55.246 54.840 0.076 0.000 0.835 668 L CB 0.110 42.206 42.059 0.062 0.000 1.099 668 L HN 0.680 nan 8.230 nan 0.000 0.516 669 I N 3.771 124.429 120.570 0.148 0.000 2.796 669 I HA 0.183 4.353 4.170 0.001 0.000 0.279 669 I C -0.236 175.988 176.117 0.178 0.000 1.289 669 I CA -0.500 60.890 61.300 0.150 0.000 1.021 669 I CB 0.547 38.668 38.000 0.201 0.000 1.414 669 I HN 0.621 nan 8.210 nan 0.000 0.562 670 K N 3.404 123.865 120.400 0.102 0.000 2.382 670 K HA 0.233 4.553 4.320 0.001 0.000 0.275 670 K C 0.070 176.653 176.600 -0.028 0.000 1.009 670 K CA -0.321 56.023 56.287 0.095 0.000 0.970 670 K CB 1.576 34.122 32.500 0.077 0.000 0.934 670 K HN 0.330 nan 8.250 nan 0.000 0.479 671 L N 4.388 125.569 121.223 -0.070 0.000 2.367 671 L HA 0.112 4.452 4.340 0.001 0.000 0.275 671 L C -0.900 176.033 176.870 0.105 0.000 1.129 671 L CA -0.174 54.553 54.840 -0.187 0.000 0.839 671 L CB 0.260 42.237 42.059 -0.137 0.000 1.133 671 L HN 0.588 nan 8.230 nan 0.000 0.453 672 Y N 5.812 126.090 120.300 -0.037 0.000 2.367 672 Y HA 0.203 4.753 4.550 0.001 0.000 0.342 672 Y C 0.419 176.354 175.900 0.058 0.000 0.979 672 Y CA -0.706 57.391 58.100 -0.004 0.000 1.161 672 Y CB 1.516 39.946 38.460 -0.051 0.000 1.155 672 Y HN 0.679 nan 8.280 nan 0.000 0.503 673 L N 4.028 125.305 121.223 0.091 0.000 2.477 673 L HA 0.171 4.511 4.340 0.001 0.000 0.220 673 L C 1.980 178.726 176.870 -0.206 0.000 1.106 673 L CA 0.857 55.752 54.840 0.091 0.000 0.851 673 L CB 0.112 42.242 42.059 0.119 0.000 0.994 673 L HN 0.892 nan 8.230 nan 0.000 0.462 674 G N -1.489 106.847 108.800 -0.773 0.000 2.712 674 G HA2 -0.214 3.747 3.960 0.001 0.000 0.212 674 G HA3 -0.214 3.747 3.960 0.001 0.000 0.212 674 G C 0.484 174.816 174.900 -0.947 0.000 1.142 674 G CA -0.307 44.338 45.100 -0.759 0.000 0.789 674 G HN 0.234 nan 8.290 nan 0.000 0.535 675 Y N 2.425 121.806 120.300 -1.532 0.000 3.137 675 Y HA 0.021 4.571 4.550 0.001 0.000 0.348 675 Y C 0.587 176.125 175.900 -0.604 0.000 1.275 675 Y CA 0.560 58.042 58.100 -1.031 0.000 1.516 675 Y CB 0.523 38.123 38.460 -1.433 0.000 1.268 675 Y HN 0.309 nan 8.280 nan 0.000 0.644 676 K N 4.164 123.797 120.400 -1.277 0.000 2.578 676 K HA 0.266 4.586 4.320 0.001 0.000 0.263 676 K C -2.204 173.855 176.600 -0.902 0.000 0.973 676 K CA -0.901 54.949 56.287 -0.729 0.000 0.909 676 K CB 0.847 33.184 32.500 -0.271 0.000 1.326 676 K HN 0.641 nan 8.250 nan 0.000 0.440 677 N N 2.672 120.945 118.700 -0.712 0.000 2.269 677 N HA 0.139 4.879 4.740 0.001 0.000 0.304 677 N C 0.097 175.590 175.510 -0.027 0.000 1.072 677 N CA -0.577 52.224 53.050 -0.415 0.000 0.802 677 N CB 1.825 40.057 38.487 -0.425 0.000 1.348 677 N HN 0.717 nan 8.380 nan 0.000 0.484 678 K N 1.130 121.509 120.400 -0.036 0.000 2.643 678 K HA 0.042 4.362 4.320 0.001 0.000 0.193 678 K C -0.453 176.187 176.600 0.067 0.000 1.027 678 K CA 0.594 56.891 56.287 0.017 0.000 1.033 678 K CB -0.019 32.474 32.500 -0.012 0.000 0.827 678 K HN 0.216 nan 8.250 nan 0.000 0.500 679 K N 1.145 121.623 120.400 0.130 0.000 2.523 679 K HA 0.363 4.684 4.320 0.001 0.000 0.257 679 K C -0.785 175.985 176.600 0.282 0.000 0.932 679 K CA -0.846 55.532 56.287 0.151 0.000 0.812 679 K CB 1.665 34.227 32.500 0.102 0.000 1.326 679 K HN -0.105 nan 8.250 nan 0.000 0.433 680 L N 1.802 123.136 121.223 0.185 0.000 2.375 680 L HA 0.505 4.845 4.340 0.001 0.000 0.271 680 L C 0.872 177.846 176.870 0.173 0.000 1.107 680 L CA -0.074 54.863 54.840 0.161 0.000 0.806 680 L CB 0.039 42.111 42.059 0.021 0.000 1.146 680 L HN 0.723 nan 8.230 nan 0.000 0.447 681 R N 1.643 122.266 120.500 0.205 0.000 2.448 681 R HA -0.060 4.280 4.340 0.001 0.000 0.336 681 R C -1.929 174.453 176.300 0.137 0.000 1.038 681 R CA -0.067 56.118 56.100 0.142 0.000 0.804 681 R CB -1.006 29.340 30.300 0.078 0.000 2.350 681 R HN 0.385 nan 8.270 nan 0.000 0.484 682 V N 3.976 123.984 119.914 0.157 0.000 2.472 682 V HA 0.239 4.359 4.120 0.001 0.000 0.290 682 V C 0.964 177.097 176.094 0.065 0.000 1.037 682 V CA -0.317 62.049 62.300 0.109 0.000 0.908 682 V CB 1.627 33.523 31.823 0.121 0.000 0.985 682 V HN 0.610 nan 8.190 nan 0.000 0.454 683 N N 4.179 122.901 118.700 0.037 0.000 2.918 683 N HA 0.245 4.986 4.740 0.001 0.000 0.247 683 N C 0.762 176.274 175.510 0.003 0.000 1.117 683 N CA -0.443 52.612 53.050 0.010 0.000 1.005 683 N CB 0.435 38.919 38.487 -0.005 0.000 1.297 683 N HN 0.866 nan 8.380 nan 0.000 0.513 684 I N -0.275 120.299 120.570 0.007 0.000 3.688 684 I HA 0.156 4.327 4.170 0.001 0.000 0.307 684 I C 0.050 176.158 176.117 -0.015 0.000 1.287 684 I CA -0.077 61.224 61.300 0.002 0.000 1.192 684 I CB -0.630 37.374 38.000 0.007 0.000 1.043 684 I HN 0.215 nan 8.210 nan 0.000 0.442 685 N N 2.360 121.040 118.700 -0.032 0.000 3.114 685 N HA 0.230 4.971 4.740 0.001 0.000 0.289 685 N C -0.707 174.770 175.510 -0.055 0.000 1.519 685 N CA -0.550 52.466 53.050 -0.056 0.000 1.026 685 N CB 0.726 39.159 38.487 -0.091 0.000 1.306 685 N HN 0.286 nan 8.380 nan 0.000 0.495 686 V N 0.615 120.507 119.914 -0.035 0.000 2.304 686 V HA 0.632 4.753 4.120 0.001 0.000 0.278 686 V C -2.121 173.958 176.094 -0.024 0.000 1.018 686 V CA -1.787 60.496 62.300 -0.028 0.000 0.814 686 V CB 0.821 32.635 31.823 -0.015 0.000 1.021 686 V HN 0.158 nan 8.190 nan 0.000 0.440 687 P HA 0.190 nan 4.420 nan 0.000 0.335 687 P C 0.431 177.728 177.300 -0.004 0.000 1.416 687 P CA -0.123 62.966 63.100 -0.018 0.000 0.828 687 P CB 0.146 31.826 31.700 -0.034 0.000 1.966 688 M N -0.325 119.277 119.600 0.004 0.000 2.248 688 M HA 0.120 4.601 4.480 0.001 0.000 0.337 688 M C 1.027 177.330 176.300 0.005 0.000 1.121 688 M CA 0.381 55.687 55.300 0.009 0.000 1.155 688 M CB -0.686 31.923 32.600 0.016 0.000 1.514 688 M HN 0.206 nan 8.290 nan 0.000 0.452 689 K N 0.922 121.325 120.400 0.006 0.000 2.243 689 K HA -0.070 4.250 4.320 0.001 0.000 0.201 689 K C 1.734 178.339 176.600 0.008 0.000 1.051 689 K CA 1.510 57.800 56.287 0.005 0.000 0.970 689 K CB 0.078 32.580 32.500 0.003 0.000 0.755 689 K HN 0.947 nan 8.250 nan 0.000 0.465 690 T N -0.046 114.514 114.554 0.010 0.000 2.942 690 T HA -0.111 4.239 4.350 0.001 0.000 0.265 690 T C 1.719 176.430 174.700 0.017 0.000 1.062 690 T CA 1.450 63.558 62.100 0.013 0.000 1.139 690 T CB -0.034 68.842 68.868 0.014 0.000 0.883 690 T HN 0.452 nan 8.240 nan 0.000 0.468 691 E N 0.792 121.002 120.200 0.015 0.000 2.065 691 E HA -0.372 3.978 4.350 0.001 0.000 0.201 691 E C 2.294 178.907 176.600 0.021 0.000 1.016 691 E CA 1.857 58.266 56.400 0.015 0.000 0.818 691 E CB -0.617 29.086 29.700 0.005 0.000 0.749 691 E HN 0.761 nan 8.360 nan 0.000 0.453 692 Q N 0.359 120.171 119.800 0.020 0.000 2.152 692 Q HA -0.269 4.071 4.340 0.001 0.000 0.206 692 Q C 2.014 178.043 176.000 0.048 0.000 0.985 692 Q CA 2.050 57.871 55.803 0.031 0.000 0.863 692 Q CB -0.031 28.720 28.738 0.022 0.000 0.904 692 Q HN 0.071 nan 8.270 nan 0.000 0.422 693 K N 0.654 121.076 120.400 0.037 0.000 1.984 693 K HA -0.168 4.152 4.320 0.001 0.000 0.209 693 K C 2.132 178.766 176.600 0.057 0.000 1.046 693 K CA 2.170 58.483 56.287 0.043 0.000 0.934 693 K CB -0.292 32.224 32.500 0.026 0.000 0.717 693 K HN 0.453 nan 8.250 nan 0.000 0.438 694 Q N 0.285 120.112 119.800 0.044 0.000 2.197 694 Q HA -0.216 4.125 4.340 0.001 0.000 0.207 694 Q C 1.761 177.794 176.000 0.055 0.000 0.984 694 Q CA 1.579 57.409 55.803 0.044 0.000 0.869 694 Q CB -0.417 28.340 28.738 0.032 0.000 0.906 694 Q HN 0.449 nan 8.270 nan 0.000 0.426 695 E N 1.395 121.629 120.200 0.057 0.000 2.007 695 E HA -0.204 4.146 4.350 0.001 0.000 0.194 695 E C 2.235 178.907 176.600 0.121 0.000 0.999 695 E CA 1.390 57.827 56.400 0.062 0.000 0.811 695 E CB -0.084 29.650 29.700 0.056 0.000 0.762 695 E HN 0.447 nan 8.360 nan 0.000 0.450 696 Q N 0.563 120.482 119.800 0.200 0.000 2.096 696 Q HA -0.246 4.094 4.340 0.001 0.000 0.208 696 Q C 2.146 178.360 176.000 0.357 0.000 0.993 696 Q CA 1.682 57.712 55.803 0.377 0.000 0.862 696 Q CB -0.137 28.770 28.738 0.282 0.000 0.915 696 Q HN 0.332 nan 8.270 nan 0.000 0.416 697 E N -0.191 120.124 120.200 0.191 0.000 2.007 697 E HA -0.166 4.184 4.350 0.001 0.000 0.194 697 E C 2.156 178.829 176.600 0.122 0.000 0.999 697 E CA 1.487 57.973 56.400 0.143 0.000 0.811 697 E CB -0.252 29.492 29.700 0.075 0.000 0.762 697 E HN 0.220 nan 8.360 nan 0.000 0.450 698 T N 0.020 114.615 114.554 0.069 0.000 2.849 698 T HA -0.149 4.202 4.350 0.001 0.000 0.270 698 T C 1.944 176.637 174.700 -0.012 0.000 1.066 698 T CA 1.629 63.746 62.100 0.029 0.000 1.130 698 T CB -0.257 68.620 68.868 0.016 0.000 0.864 698 T HN 0.139 nan 8.240 nan 0.000 0.481 699 T N -0.052 114.480 114.554 -0.037 0.000 2.942 699 T HA -0.064 4.286 4.350 0.001 0.000 0.265 699 T C 1.707 176.240 174.700 -0.277 0.000 1.062 699 T CA 0.762 62.730 62.100 -0.219 0.000 1.139 699 T CB -0.216 68.414 68.868 -0.397 0.000 0.883 699 T HN 0.487 nan 8.240 nan 0.000 0.468 700 H N 0.579 119.603 119.070 -0.078 0.000 2.333 700 H HA 0.103 4.659 4.556 0.001 0.000 0.302 700 H C 2.402 177.706 175.328 -0.040 0.000 1.075 700 H CA 1.284 57.325 56.048 -0.011 0.000 1.348 700 H CB 0.093 29.913 29.762 0.096 0.000 1.393 700 H HN 0.300 nan 8.280 nan 0.000 0.509 701 K N 0.594 121.046 120.400 0.086 0.000 2.211 701 K HA -0.091 4.230 4.320 0.001 0.000 0.203 701 K C 1.896 178.482 176.600 -0.024 0.000 1.050 701 K CA 0.372 56.678 56.287 0.032 0.000 0.945 701 K CB 0.100 32.619 32.500 0.033 0.000 0.732 701 K HN 0.199 nan 8.250 nan 0.000 0.451 702 N N 0.625 119.288 118.700 -0.062 0.000 2.459 702 N HA -0.085 4.655 4.740 0.001 0.000 0.181 702 N C 1.412 176.851 175.510 -0.118 0.000 1.046 702 N CA 0.744 53.740 53.050 -0.090 0.000 0.904 702 N CB 0.212 38.628 38.487 -0.119 0.000 0.964 702 N HN 0.227 nan 8.380 nan 0.000 0.444 703 I N 0.738 121.225 120.570 -0.138 0.000 2.429 703 I HA -0.113 4.057 4.170 0.001 0.000 0.247 703 I C 1.798 177.828 176.117 -0.146 0.000 1.099 703 I CA 0.506 61.706 61.300 -0.166 0.000 1.422 703 I CB -0.130 37.753 38.000 -0.196 0.000 1.112 703 I HN 0.015 nan 8.210 nan 0.000 0.430 704 E N 0.976 121.124 120.200 -0.085 0.000 2.130 704 E HA -0.253 4.098 4.350 0.001 0.000 0.196 704 E C 1.904 178.467 176.600 -0.062 0.000 0.998 704 E CA 1.185 57.547 56.400 -0.065 0.000 0.806 704 E CB -0.064 29.630 29.700 -0.011 0.000 0.738 704 E HN 0.443 nan 8.360 nan 0.000 0.459 705 E N 0.487 120.655 120.200 -0.054 0.000 2.216 705 E HA -0.125 4.225 4.350 0.001 0.000 0.192 705 E C 1.123 177.692 176.600 -0.051 0.000 0.988 705 E CA 0.666 57.042 56.400 -0.040 0.000 0.834 705 E CB 0.051 29.735 29.700 -0.027 0.000 0.772 705 E HN 0.218 nan 8.360 nan 0.000 0.479 706 D N 0.166 120.517 120.400 -0.081 0.000 2.312 706 D HA -0.044 4.597 4.640 0.001 0.000 0.211 706 D C 1.762 178.010 176.300 -0.087 0.000 0.964 706 D CA 0.540 54.490 54.000 -0.083 0.000 0.877 706 D CB 0.222 40.954 40.800 -0.113 0.000 0.924 706 D HN 0.056 nan 8.370 nan 0.000 0.515 707 R N 0.029 120.439 120.500 -0.149 0.000 2.140 707 R HA 0.101 4.441 4.340 0.001 0.000 0.213 707 R C 1.863 178.223 176.300 0.100 0.000 1.059 707 R CA 0.387 56.400 56.100 -0.147 0.000 1.000 707 R CB 0.026 29.970 30.300 -0.593 0.000 0.910 707 R HN 0.107 nan 8.270 nan 0.000 0.455 708 K N 1.192 121.609 120.400 0.028 0.000 2.002 708 K HA -0.047 4.273 4.320 0.001 0.000 0.209 708 K C 2.210 178.825 176.600 0.026 0.000 1.048 708 K CA 1.251 57.560 56.287 0.037 0.000 0.930 708 K CB -0.165 32.341 32.500 0.009 0.000 0.714 708 K HN 0.061 nan 8.250 nan 0.000 0.438 709 L N 0.852 122.080 121.223 0.007 0.000 2.017 709 L HA -0.207 4.134 4.340 0.001 0.000 0.208 709 L C 2.377 179.256 176.870 0.013 0.000 1.073 709 L CA 1.207 56.043 54.840 -0.008 0.000 0.745 709 L CB -0.654 41.396 42.059 -0.014 0.000 0.894 709 L HN 0.193 nan 8.230 nan 0.000 0.432 710 L N -0.342 120.918 121.223 0.061 0.000 2.127 710 L HA -0.241 4.100 4.340 0.001 0.000 0.211 710 L C 2.491 179.411 176.870 0.083 0.000 1.089 710 L CA 1.274 56.173 54.840 0.098 0.000 0.757 710 L CB -0.378 41.804 42.059 0.205 0.000 0.899 710 L HN 0.258 nan 8.230 nan 0.000 0.434 711 I N -0.954 119.678 120.570 0.103 0.000 2.233 711 I HA -0.273 3.898 4.170 0.001 0.000 0.243 711 I C 2.640 178.742 176.117 -0.024 0.000 1.093 711 I CA 1.139 62.465 61.300 0.044 0.000 1.380 711 I CB -0.180 37.866 38.000 0.076 0.000 1.067 711 I HN 0.296 nan 8.210 nan 0.000 0.413 712 Q N 0.603 120.379 119.800 -0.039 0.000 1.975 712 Q HA -0.257 4.083 4.340 0.001 0.000 0.205 712 Q C 2.440 178.376 176.000 -0.107 0.000 0.990 712 Q CA 2.188 57.933 55.803 -0.097 0.000 0.845 712 Q CB -0.366 28.294 28.738 -0.130 0.000 0.913 712 Q HN 0.574 nan 8.270 nan 0.000 0.420 713 A N 1.172 123.942 122.820 -0.084 0.000 1.869 713 A HA -0.296 4.024 4.320 0.001 0.000 0.218 713 A C 2.343 179.900 177.584 -0.046 0.000 1.203 713 A CA 2.284 54.285 52.037 -0.062 0.000 0.638 713 A CB -1.360 17.623 19.000 -0.027 0.000 0.831 713 A HN 0.502 nan 8.150 nan 0.000 0.450 714 A N -0.157 122.641 122.820 -0.037 0.000 1.940 714 A HA -0.218 4.102 4.320 0.001 0.000 0.221 714 A C 2.024 179.563 177.584 -0.076 0.000 1.190 714 A CA 2.074 54.075 52.037 -0.060 0.000 0.647 714 A CB -0.716 18.244 19.000 -0.067 0.000 0.821 714 A HN 0.504 nan 8.150 nan 0.000 0.457 715 I N -0.380 120.138 120.570 -0.087 0.000 2.058 715 I HA -0.213 3.957 4.170 0.001 0.000 0.235 715 I C 2.559 178.634 176.117 -0.069 0.000 1.053 715 I CA 1.430 62.669 61.300 -0.101 0.000 1.313 715 I CB -1.802 36.127 38.000 -0.118 0.000 1.039 715 I HN 0.171 nan 8.210 nan 0.000 0.396 716 V N 1.117 121.007 119.914 -0.040 0.000 2.250 716 V HA -0.354 3.766 4.120 0.001 0.000 0.253 716 V C 2.849 178.930 176.094 -0.021 0.000 1.065 716 V CA 2.464 64.798 62.300 0.057 0.000 1.039 716 V CB -0.852 31.027 31.823 0.092 0.000 0.647 716 V HN 0.424 nan 8.190 nan 0.000 0.446 717 R N -0.403 120.074 120.500 -0.039 0.000 2.115 717 R HA -0.216 4.124 4.340 0.001 0.000 0.239 717 R C 2.250 178.480 176.300 -0.117 0.000 1.133 717 R CA 2.526 58.586 56.100 -0.066 0.000 0.935 717 R CB -0.425 29.845 30.300 -0.050 0.000 0.853 717 R HN 0.526 nan 8.270 nan 0.000 0.433 718 I N 0.279 120.786 120.570 -0.105 0.000 2.142 718 I HA -0.318 3.852 4.170 0.001 0.000 0.240 718 I C 2.493 178.523 176.117 -0.145 0.000 1.078 718 I CA 1.071 62.303 61.300 -0.112 0.000 1.343 718 I CB -0.285 37.657 38.000 -0.097 0.000 1.046 718 I HN 0.259 nan 8.210 nan 0.000 0.405 719 M N 0.541 120.057 119.600 -0.140 0.000 2.260 719 M HA -0.231 4.249 4.480 0.001 0.000 0.261 719 M C 2.212 178.265 176.300 -0.412 0.000 1.066 719 M CA 1.676 56.893 55.300 -0.137 0.000 1.082 719 M CB -1.063 31.544 32.600 0.012 0.000 1.388 719 M HN 0.210 nan 8.290 nan 0.000 0.419 720 K N -0.295 119.692 120.400 -0.689 0.000 1.991 720 K HA -0.121 4.199 4.320 0.001 0.000 0.207 720 K C 2.091 178.406 176.600 -0.475 0.000 1.045 720 K CA 1.094 56.702 56.287 -1.133 0.000 0.937 720 K CB -0.183 31.841 32.500 -0.795 0.000 0.720 720 K HN 0.106 nan 8.250 nan 0.000 0.438 721 M N 1.288 120.723 119.600 -0.276 0.000 2.149 721 M HA -0.113 4.367 4.480 0.001 0.000 0.261 721 M C 0.284 176.521 176.300 -0.105 0.000 1.064 721 M CA 1.498 56.710 55.300 -0.146 0.000 1.102 721 M CB -0.250 32.285 32.600 -0.109 0.000 1.369 721 M HN 0.064 nan 8.290 nan 0.000 0.408 722 R N 0.090 120.525 120.500 -0.108 0.000 2.607 722 R HA 0.275 4.616 4.340 0.001 0.000 0.261 722 R C 0.836 177.092 176.300 -0.073 0.000 1.051 722 R CA -0.599 55.465 56.100 -0.059 0.000 1.110 722 R CB 0.890 31.167 30.300 -0.038 0.000 1.158 722 R HN 0.044 nan 8.270 nan 0.000 0.543 723 K N 0.121 120.518 120.400 -0.005 0.000 2.412 723 K HA 0.228 4.549 4.320 0.001 0.000 0.201 723 K C 0.126 176.791 176.600 0.109 0.000 1.275 723 K CA 0.557 56.879 56.287 0.057 0.000 0.910 723 K CB 0.707 33.253 32.500 0.078 0.000 1.346 723 K HN 0.242 nan 8.250 nan 0.000 0.490 724 V N 3.056 123.020 119.914 0.083 0.000 2.444 724 V HA 0.419 4.539 4.120 0.001 0.000 0.294 724 V C -1.030 175.120 176.094 0.093 0.000 1.022 724 V CA -0.880 61.481 62.300 0.101 0.000 0.850 724 V CB 1.705 33.574 31.823 0.077 0.000 0.992 724 V HN 0.069 nan 8.190 nan 0.000 0.426 725 L N 4.788 126.097 121.223 0.142 0.000 2.434 725 L HA 0.724 5.065 4.340 0.001 0.000 0.260 725 L C -0.584 176.413 176.870 0.211 0.000 0.983 725 L CA -0.801 54.120 54.840 0.135 0.000 0.820 725 L CB 2.300 44.413 42.059 0.090 0.000 1.361 725 L HN 0.481 nan 8.230 nan 0.000 0.410 726 K N 1.800 122.290 120.400 0.149 0.000 2.298 726 K HA 0.250 4.570 4.320 0.001 0.000 0.280 726 K C 0.701 177.453 176.600 0.253 0.000 1.032 726 K CA 0.098 56.487 56.287 0.170 0.000 0.958 726 K CB 0.539 33.100 32.500 0.102 0.000 0.978 726 K HN 0.619 nan 8.250 nan 0.000 0.472 727 H N 1.798 121.024 119.070 0.260 0.000 2.306 727 H HA -0.334 4.223 4.556 0.001 0.000 0.289 727 H C 1.846 177.251 175.328 0.129 0.000 1.081 727 H CA 2.797 59.023 56.048 0.298 0.000 1.163 727 H CB 0.047 29.948 29.762 0.231 0.000 1.357 727 H HN 0.698 nan 8.280 nan 0.000 0.524 728 Q N 0.345 120.274 119.800 0.215 0.000 2.118 728 Q HA -0.282 4.058 4.340 0.001 0.000 0.211 728 Q C 2.384 178.390 176.000 0.010 0.000 0.998 728 Q CA 2.588 58.446 55.803 0.091 0.000 0.872 728 Q CB -0.426 28.374 28.738 0.103 0.000 0.925 728 Q HN 0.767 nan 8.270 nan 0.000 0.414 729 Q N -0.789 119.027 119.800 0.027 0.000 2.124 729 Q HA -0.123 4.217 4.340 0.001 0.000 0.202 729 Q C 1.962 177.939 176.000 -0.038 0.000 0.977 729 Q CA 1.301 57.104 55.803 -0.001 0.000 0.850 729 Q CB -0.318 28.430 28.738 0.017 0.000 0.901 729 Q HN 0.402 nan 8.270 nan 0.000 0.429 730 L N 0.712 121.903 121.223 -0.054 0.000 1.994 730 L HA -0.180 4.160 4.340 0.001 0.000 0.208 730 L C 1.854 178.631 176.870 -0.155 0.000 1.071 730 L CA 1.721 56.491 54.840 -0.118 0.000 0.745 730 L CB -0.867 41.082 42.059 -0.184 0.000 0.892 730 L HN 0.247 nan 8.230 nan 0.000 0.431 731 L N -0.472 120.629 121.223 -0.204 0.000 1.956 731 L HA -0.211 4.129 4.340 0.001 0.000 0.216 731 L C 2.589 179.393 176.870 -0.110 0.000 1.073 731 L CA 1.722 56.456 54.840 -0.177 0.000 0.762 731 L CB -1.735 40.220 42.059 -0.174 0.000 0.889 731 L HN 0.488 nan 8.230 nan 0.000 0.433 732 G N -0.375 108.378 108.800 -0.078 0.000 2.649 732 G HA2 -0.331 3.630 3.960 0.001 0.000 0.220 732 G HA3 -0.331 3.630 3.960 0.001 0.000 0.220 732 G C 1.354 176.210 174.900 -0.073 0.000 1.189 732 G CA 1.120 46.183 45.100 -0.061 0.000 0.777 732 G HN 0.437 nan 8.290 nan 0.000 0.602 733 E N 0.089 120.244 120.200 -0.075 0.000 2.048 733 E HA -0.177 4.174 4.350 0.001 0.000 0.202 733 E C 2.787 179.329 176.600 -0.097 0.000 1.021 733 E CA 1.474 57.827 56.400 -0.079 0.000 0.825 733 E CB -0.778 28.875 29.700 -0.077 0.000 0.756 733 E HN 0.282 nan 8.360 nan 0.000 0.454 734 V N 2.138 121.986 119.914 -0.110 0.000 2.252 734 V HA -0.326 3.795 4.120 0.001 0.000 0.255 734 V C 2.549 178.554 176.094 -0.149 0.000 1.071 734 V CA 2.085 64.309 62.300 -0.127 0.000 1.050 734 V CB -0.720 31.026 31.823 -0.128 0.000 0.654 734 V HN 0.262 nan 8.190 nan 0.000 0.448 735 L N -0.931 120.212 121.223 -0.135 0.000 2.012 735 L HA -0.204 4.136 4.340 0.001 0.000 0.210 735 L C 2.602 179.391 176.870 -0.136 0.000 1.073 735 L CA 2.250 57.002 54.840 -0.146 0.000 0.748 735 L CB -1.417 40.580 42.059 -0.104 0.000 0.891 735 L HN 0.337 nan 8.230 nan 0.000 0.431 736 T N -0.791 113.700 114.554 -0.105 0.000 2.699 736 T HA -0.207 4.143 4.350 0.001 0.000 0.268 736 T C 1.993 176.633 174.700 -0.100 0.000 1.036 736 T CA 1.286 63.333 62.100 -0.088 0.000 1.147 736 T CB -0.144 68.680 68.868 -0.074 0.000 0.862 736 T HN 0.322 nan 8.240 nan 0.000 0.446 737 Q N 0.136 119.871 119.800 -0.109 0.000 2.030 737 Q HA -0.040 4.300 4.340 0.001 0.000 0.204 737 Q C 2.136 178.052 176.000 -0.140 0.000 0.986 737 Q CA 1.222 56.959 55.803 -0.110 0.000 0.843 737 Q CB -0.445 28.227 28.738 -0.109 0.000 0.904 737 Q HN 0.379 nan 8.270 nan 0.000 0.420 738 L N 0.620 121.716 121.223 -0.211 0.000 2.513 738 L HA 0.031 4.371 4.340 0.001 0.000 0.222 738 L C 2.378 179.065 176.870 -0.305 0.000 1.096 738 L CA 1.018 55.654 54.840 -0.339 0.000 0.857 738 L CB -0.988 40.685 42.059 -0.645 0.000 1.026 738 L HN 0.191 nan 8.230 nan 0.000 0.469 739 S N 0.156 115.724 115.700 -0.219 0.000 2.408 739 S HA -0.354 4.116 4.470 0.001 0.000 0.241 739 S C 2.168 176.702 174.600 -0.110 0.000 1.080 739 S CA 2.049 60.158 58.200 -0.151 0.000 1.109 739 S CB -1.247 61.886 63.200 -0.112 0.000 0.966 739 S HN 0.574 nan 8.310 nan 0.000 0.449 740 S N 1.396 117.035 115.700 -0.101 0.000 2.462 740 S HA -0.089 4.381 4.470 0.001 0.000 0.243 740 S C 1.821 176.398 174.600 -0.038 0.000 1.003 740 S CA 1.027 59.177 58.200 -0.084 0.000 0.970 740 S CB -0.416 62.738 63.200 -0.077 0.000 0.762 740 S HN 0.607 nan 8.310 nan 0.000 0.510 741 R N -0.206 120.308 120.500 0.023 0.000 2.320 741 R HA 0.408 4.748 4.340 0.001 0.000 0.193 741 R C -0.261 176.251 176.300 0.353 0.000 0.885 741 R CA 0.717 56.939 56.100 0.203 0.000 1.085 741 R CB 0.571 31.070 30.300 0.332 0.000 1.253 741 R HN 0.642 nan 8.270 nan 0.000 0.636 742 F N -1.044 118.925 119.950 0.031 0.000 2.704 742 F HA 0.379 4.906 4.527 0.001 0.000 0.312 742 F C -1.202 174.610 175.800 0.019 0.000 1.108 742 F CA -1.323 56.699 58.000 0.038 0.000 1.005 742 F CB 1.127 40.163 39.000 0.059 0.000 1.277 742 F HN -0.355 nan 8.300 nan 0.000 0.445 743 K N 5.430 125.874 120.400 0.073 0.000 2.206 743 K HA 0.366 4.686 4.320 0.001 0.000 0.268 743 K C -2.337 174.300 176.600 0.062 0.000 1.111 743 K CA -1.782 54.485 56.287 -0.034 0.000 0.955 743 K CB 0.390 32.892 32.500 0.003 0.000 1.406 743 K HN 0.503 nan 8.250 nan 0.000 0.427 744 P HA -0.088 nan 4.420 nan 0.000 0.266 744 P C -1.060 176.287 177.300 0.079 0.000 1.193 744 P CA 0.315 63.494 63.100 0.132 0.000 0.770 744 P CB 0.546 32.270 31.700 0.040 0.000 0.836 745 R N 1.917 122.479 120.500 0.102 0.000 2.234 745 R HA 0.197 4.538 4.340 0.001 0.000 0.324 745 R C 1.617 177.949 176.300 0.053 0.000 1.054 745 R CA -0.836 55.305 56.100 0.069 0.000 0.912 745 R CB 0.526 30.870 30.300 0.073 0.000 1.030 745 R HN 0.185 nan 8.270 nan 0.000 0.455 746 V N 5.319 125.256 119.914 0.039 0.000 2.257 746 V HA -0.292 3.829 4.120 0.001 0.000 0.257 746 V C -0.840 175.288 176.094 0.056 0.000 1.077 746 V CA 2.186 64.511 62.300 0.041 0.000 1.063 746 V CB -0.936 30.920 31.823 0.055 0.000 0.664 746 V HN 0.760 nan 8.190 nan 0.000 0.450 747 P HA -0.106 nan 4.420 nan 0.000 0.220 747 P C 1.655 178.988 177.300 0.056 0.000 1.144 747 P CA 1.214 64.351 63.100 0.061 0.000 0.800 747 P CB -0.054 31.678 31.700 0.053 0.000 0.772 748 V N -0.891 119.056 119.914 0.056 0.000 2.407 748 V HA -0.172 3.948 4.120 0.001 0.000 0.245 748 V C 2.261 178.382 176.094 0.044 0.000 1.041 748 V CA 1.387 63.721 62.300 0.056 0.000 1.040 748 V CB -0.978 30.892 31.823 0.078 0.000 0.671 748 V HN 0.054 nan 8.190 nan 0.000 0.455 749 I N 0.447 121.036 120.570 0.032 0.000 2.142 749 I HA -0.253 3.917 4.170 0.001 0.000 0.240 749 I C 2.592 178.708 176.117 -0.002 0.000 1.078 749 I CA 1.773 63.071 61.300 -0.004 0.000 1.343 749 I CB -0.542 37.432 38.000 -0.044 0.000 1.046 749 I HN 0.258 nan 8.210 nan 0.000 0.405 750 K N 1.773 122.194 120.400 0.035 0.000 2.144 750 K HA -0.279 4.041 4.320 0.001 0.000 0.209 750 K C 1.960 178.601 176.600 0.068 0.000 1.047 750 K CA 1.864 58.206 56.287 0.092 0.000 0.927 750 K CB -0.222 32.356 32.500 0.130 0.000 0.716 750 K HN 0.011 nan 8.250 nan 0.000 0.454 751 K N 0.006 120.435 120.400 0.048 0.000 2.001 751 K HA -0.023 4.297 4.320 0.001 0.000 0.208 751 K C 2.076 178.689 176.600 0.022 0.000 1.048 751 K CA 1.756 58.067 56.287 0.039 0.000 0.932 751 K CB -0.852 31.669 32.500 0.035 0.000 0.715 751 K HN 0.287 nan 8.250 nan 0.000 0.437 752 C N 0.513 119.817 119.300 0.006 0.000 2.403 752 C HA -0.102 4.358 4.460 0.001 0.000 0.277 752 C C 2.470 177.439 174.990 -0.035 0.000 1.248 752 C CA 0.737 59.744 59.018 -0.019 0.000 1.762 752 C CB -0.943 26.780 27.740 -0.028 0.000 2.014 752 C HN 0.484 nan 8.230 nan 0.000 0.486 753 I N 1.048 121.592 120.570 -0.042 0.000 2.163 753 I HA -0.230 3.941 4.170 0.001 0.000 0.243 753 I C 2.224 178.341 176.117 0.000 0.000 1.085 753 I CA 1.747 63.003 61.300 -0.073 0.000 1.347 753 I CB -0.701 37.234 38.000 -0.107 0.000 1.044 753 I HN 0.429 nan 8.210 nan 0.000 0.408 754 D N 1.209 121.635 120.400 0.043 0.000 2.084 754 D HA -0.164 4.476 4.640 0.001 0.000 0.194 754 D C 2.253 178.583 176.300 0.050 0.000 0.990 754 D CA 1.461 55.502 54.000 0.067 0.000 0.826 754 D CB -0.337 40.503 40.800 0.067 0.000 0.971 754 D HN 0.380 nan 8.370 nan 0.000 0.453 755 I N 1.039 121.626 120.570 0.028 0.000 2.248 755 I HA -0.236 3.934 4.170 0.001 0.000 0.248 755 I C 2.477 178.606 176.117 0.020 0.000 1.107 755 I CA 0.740 62.052 61.300 0.020 0.000 1.373 755 I CB -0.207 37.792 38.000 -0.002 0.000 1.055 755 I HN -0.011 nan 8.210 nan 0.000 0.418 756 L N 0.060 121.283 121.223 -0.000 0.000 2.376 756 L HA -0.108 4.232 4.340 0.001 0.000 0.219 756 L C 2.364 179.301 176.870 0.111 0.000 1.133 756 L CA 1.105 55.948 54.840 0.006 0.000 0.816 756 L CB -0.133 41.896 42.059 -0.050 0.000 0.933 756 L HN 0.293 nan 8.230 nan 0.000 0.449 757 I N -0.666 119.961 120.570 0.096 0.000 2.400 757 I HA -0.184 3.986 4.170 0.001 0.000 0.248 757 I C 2.384 178.564 176.117 0.104 0.000 1.109 757 I CA 0.697 62.068 61.300 0.118 0.000 1.425 757 I CB 0.047 38.122 38.000 0.126 0.000 1.094 757 I HN 0.225 nan 8.210 nan 0.000 0.425 758 E N 1.344 121.596 120.200 0.087 0.000 2.038 758 E HA -0.255 4.096 4.350 0.001 0.000 0.195 758 E C 1.491 178.145 176.600 0.091 0.000 1.000 758 E CA 1.199 57.644 56.400 0.074 0.000 0.803 758 E CB -0.264 29.471 29.700 0.059 0.000 0.750 758 E HN 0.441 nan 8.360 nan 0.000 0.448 759 K N 1.282 121.758 120.400 0.127 0.000 2.699 759 K HA -0.021 4.299 4.320 0.001 0.000 0.205 759 K C -0.382 176.364 176.600 0.243 0.000 1.008 759 K CA 0.127 56.532 56.287 0.197 0.000 1.100 759 K CB -0.250 32.402 32.500 0.252 0.000 0.878 759 K HN 0.156 nan 8.250 nan 0.000 0.496 760 E N -0.412 119.874 120.200 0.144 0.000 2.165 760 E HA -0.272 4.078 4.350 0.001 0.000 0.203 760 E C -0.356 176.267 176.600 0.038 0.000 1.335 760 E CA 0.326 56.770 56.400 0.073 0.000 0.708 760 E CB -0.883 28.814 29.700 -0.004 0.000 1.105 760 E HN 0.477 nan 8.360 nan 0.000 0.346 761 Y N -0.572 119.728 120.300 -0.000 0.000 2.507 761 Y HA 0.174 4.724 4.550 0.001 0.000 0.263 761 Y C 0.761 176.677 175.900 0.027 0.000 1.093 761 Y CA 0.198 58.297 58.100 -0.001 0.000 1.285 761 Y CB 0.773 39.265 38.460 0.053 0.000 1.115 761 Y HN 0.264 nan 8.280 nan 0.000 0.533 762 L N -0.843 120.508 121.223 0.213 0.000 2.591 762 L HA 0.489 4.829 4.340 0.001 0.000 0.257 762 L C -1.093 175.888 176.870 0.186 0.000 0.935 762 L CA -0.859 54.100 54.840 0.198 0.000 0.873 762 L CB 1.820 44.015 42.059 0.227 0.000 1.397 762 L HN 0.075 nan 8.230 nan 0.000 0.414 763 E N 2.598 122.913 120.200 0.192 0.000 2.378 763 E HA 0.571 4.922 4.350 0.001 0.000 0.265 763 E C -1.247 175.483 176.600 0.218 0.000 0.932 763 E CA -0.871 55.641 56.400 0.186 0.000 0.795 763 E CB 2.572 32.333 29.700 0.101 0.000 1.296 763 E HN 0.788 nan 8.360 nan 0.000 0.438 764 R N 0.356 120.934 120.500 0.129 0.000 2.490 764 R HA 0.327 4.667 4.340 0.001 0.000 0.278 764 R C -0.304 175.983 176.300 -0.023 0.000 1.069 764 R CA -0.659 55.422 56.100 -0.031 0.000 1.080 764 R CB 1.185 31.425 30.300 -0.100 0.000 1.030 764 R HN 0.276 nan 8.270 nan 0.000 0.491 765 V N 4.118 123.996 119.914 -0.061 0.000 2.338 765 V HA -0.035 4.085 4.120 0.001 0.000 0.255 765 V C -0.425 175.646 176.094 -0.038 0.000 1.082 765 V CA -0.469 61.814 62.300 -0.027 0.000 0.951 765 V CB -0.095 31.716 31.823 -0.020 0.000 1.102 765 V HN 0.767 nan 8.190 nan 0.000 0.489 766 D N 3.679 124.065 120.400 -0.022 0.000 2.661 766 D HA 0.294 4.934 4.640 0.001 0.000 0.244 766 D C 1.029 177.316 176.300 -0.022 0.000 1.196 766 D CA 0.903 54.890 54.000 -0.022 0.000 0.881 766 D CB 0.031 40.825 40.800 -0.010 0.000 1.141 766 D HN 0.877 nan 8.370 nan 0.000 0.530 767 G N 1.481 110.264 108.800 -0.028 0.000 2.288 767 G HA2 -0.135 3.825 3.960 0.001 0.000 0.205 767 G HA3 -0.135 3.825 3.960 0.001 0.000 0.205 767 G C -0.536 174.347 174.900 -0.029 0.000 1.071 767 G CA -0.526 44.560 45.100 -0.024 0.000 0.788 767 G HN 0.620 nan 8.290 nan 0.000 0.491 768 E N -0.201 119.973 120.200 -0.044 0.000 2.347 768 E HA 0.160 4.510 4.350 0.001 0.000 0.285 768 E C 1.183 177.739 176.600 -0.073 0.000 0.925 768 E CA -0.311 56.059 56.400 -0.050 0.000 0.779 768 E CB 1.236 30.905 29.700 -0.051 0.000 1.233 768 E HN 0.490 nan 8.360 nan 0.000 0.414 769 K N 1.728 122.091 120.400 -0.061 0.000 1.980 769 K HA -0.136 4.185 4.320 0.001 0.000 0.231 769 K C 0.009 176.541 176.600 -0.113 0.000 1.018 769 K CA 1.170 57.415 56.287 -0.070 0.000 1.063 769 K CB -0.111 32.362 32.500 -0.046 0.000 0.731 769 K HN 0.239 nan 8.250 nan 0.000 0.456 770 D N 1.642 121.981 120.400 -0.102 0.000 2.514 770 D HA 0.259 4.899 4.640 0.001 0.000 0.267 770 D C -0.903 175.291 176.300 -0.176 0.000 1.165 770 D CA -0.020 53.894 54.000 -0.143 0.000 0.958 770 D CB 1.185 41.970 40.800 -0.025 0.000 0.992 770 D HN 0.229 nan 8.370 nan 0.000 0.506 771 T N 0.771 115.101 114.554 -0.373 0.000 2.900 771 T HA 0.509 4.860 4.350 0.001 0.000 0.295 771 T C -0.970 173.428 174.700 -0.503 0.000 1.044 771 T CA -0.503 61.425 62.100 -0.286 0.000 0.995 771 T CB 1.392 70.206 68.868 -0.089 0.000 1.072 771 T HN 0.007 nan 8.240 nan 0.000 0.473 772 Y N -0.230 120.110 120.300 0.067 0.000 2.576 772 Y HA 0.736 5.286 4.550 0.000 0.000 0.346 772 Y C 0.295 176.240 175.900 0.075 0.000 1.018 772 Y CA -1.119 57.025 58.100 0.073 0.000 1.050 772 Y CB 2.001 40.511 38.460 0.084 0.000 1.280 772 Y HN 0.479 nan 8.280 nan 0.000 0.474 773 S N 0.424 116.273 115.700 0.247 0.000 2.536 773 S HA 0.370 4.840 4.470 0.001 0.000 0.298 773 S C -1.653 173.093 174.600 0.244 0.000 1.083 773 S CA -0.737 57.580 58.200 0.194 0.000 0.995 773 S CB 0.767 64.042 63.200 0.125 0.000 1.058 773 S HN 0.631 nan 8.310 nan 0.000 0.488 774 Y N 4.108 124.454 120.300 0.077 0.000 2.393 774 Y HA 0.530 5.081 4.550 0.000 0.000 0.338 774 Y C -0.554 175.377 175.900 0.051 0.000 1.029 774 Y CA -0.537 57.603 58.100 0.067 0.000 1.239 774 Y CB 0.376 38.864 38.460 0.047 0.000 1.170 774 Y HN 0.520 nan 8.280 nan 0.000 0.515 775 L N 6.935 128.054 121.223 -0.175 0.000 2.341 775 L HA 0.822 5.163 4.340 0.001 0.000 0.278 775 L C -0.919 175.595 176.870 -0.592 0.000 1.005 775 L CA -0.445 54.253 54.840 -0.238 0.000 0.818 775 L CB 1.287 43.293 42.059 -0.087 0.000 1.259 775 L HN 0.768 nan 8.230 nan 0.000 0.418 776 A N 0.000 122.486 122.820 -0.557 0.000 2.254 776 A HA 0.000 4.320 4.320 0.001 0.000 0.244 776 A CA 0.000 51.689 52.037 -0.580 0.000 0.836 776 A CB 0.000 18.767 19.000 -0.388 0.000 0.831 776 A HN 0.000 nan 8.150 nan 0.000 0.486