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 1ozh_1_D DATA FIRST_RESID 7 DATA SEQUENCE VRQWAHGADL VVSQLEAQGV RQVFGIPGAK IDKVFDSLLD SSIRIIPVRH DATA SEQUENCE EANAAFMAAA VGRITGKAGV ALVTSGPGCS NLITGMATAN SEGDPVVALG DATA SEQUENCE GAVKRADKXX XXXXSMDTVA MFSPVTKYAI EVTAPDALAE VVSNAFRAAE DATA SEQUENCE QGRPGSAFVS LPQDVVDGPV SGKVLPASGA PQMGAAPDDA IDQVAKLIAQ DATA SEQUENCE AKNPIFLLGL MASQPENSKA LRRLLETSHI PVTSTYQAAG AVNQDNFSRF DATA SEQUENCE AGRVGLFNNQ AGDRLLQLAD LVICIGYSPV EYEPAMWNSG NATLVHIDVL DATA SEQUENCE PAYEERNYTP DVELVGDIAG TLNKLAQNID HRLVLSPQAA EILRDRQHQR DATA SEQUENCE ELLDXXXXXL NQFALHPLRI VRAMQDIVNS DVTLTVDMGS FHIWIARYLY DATA SEQUENCE TFRARQVMIS NGQQTMGVAL PWAIGAWLVN PERKVVSVSG DGGFLQSSME DATA SEQUENCE LETAVRLKAN VLHLIWVDNG YNMVAIQEEK KYQRLSGVEF GPMDFKAYAE DATA SEQUENCE SFGAKGFAVE SAEALEPTLR AAMDVDGPAV VAIPVDYRDN PLLMGQLHL 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 7 V HA 0.000 nan 4.120 nan 0.000 0.244 7 V C 0.000 176.087 176.094 -0.011 0.000 1.182 7 V CA 0.000 62.336 62.300 0.059 0.000 1.235 7 V CB 0.000 31.852 31.823 0.047 0.000 1.184 8 R N 1.554 122.037 120.500 -0.028 0.000 2.905 8 R HA 0.778 5.119 4.340 0.001 0.000 0.260 8 R C -1.377 174.757 176.300 -0.277 0.000 1.086 8 R CA -1.103 54.820 56.100 -0.296 0.000 0.978 8 R CB 1.828 31.679 30.300 -0.749 0.000 1.215 8 R HN 0.590 nan 8.270 nan 0.000 0.480 9 Q N 0.976 120.559 119.800 -0.362 0.000 2.425 9 Q HA 0.259 4.600 4.340 0.001 0.000 0.254 9 Q C -1.817 174.036 176.000 -0.246 0.000 1.032 9 Q CA -0.356 55.344 55.803 -0.171 0.000 0.798 9 Q CB 0.640 29.313 28.738 -0.108 0.000 1.210 9 Q HN 0.325 nan 8.270 nan 0.000 0.491 10 W N 2.587 123.865 121.300 -0.035 0.000 2.365 10 W HA 0.515 5.176 4.660 0.002 0.000 0.316 10 W C 0.994 177.458 176.519 -0.092 0.000 1.164 10 W CA -0.587 56.731 57.345 -0.044 0.000 1.204 10 W CB 0.962 30.412 29.460 -0.017 0.000 1.213 10 W HN 0.767 nan 8.180 nan 0.000 0.539 11 A N 2.030 124.873 122.820 0.038 0.000 2.066 11 A HA -0.042 4.279 4.320 0.001 0.000 0.218 11 A C 0.262 177.558 177.584 -0.479 0.000 1.157 11 A CA 1.110 52.993 52.037 -0.256 0.000 0.670 11 A CB -0.470 18.304 19.000 -0.376 0.000 0.804 11 A HN 0.626 nan 8.150 nan 0.000 0.453 12 H N -2.672 116.493 119.070 0.157 0.000 2.856 12 H HA 0.319 4.876 4.556 0.001 0.000 0.355 12 H C 1.200 176.563 175.328 0.059 0.000 1.079 12 H CA -0.297 55.807 56.048 0.093 0.000 1.240 12 H CB 1.252 31.057 29.762 0.071 0.000 1.701 12 H HN 0.105 nan 8.280 nan 0.000 0.527 13 G N 1.700 110.572 108.800 0.121 0.000 2.485 13 G HA2 -0.270 3.691 3.960 0.001 0.000 0.221 13 G HA3 -0.270 3.691 3.960 0.001 0.000 0.221 13 G C 1.561 176.424 174.900 -0.061 0.000 1.115 13 G CA 0.992 46.084 45.100 -0.012 0.000 0.751 13 G HN 0.653 nan 8.290 nan 0.000 0.567 14 A N 1.177 124.006 122.820 0.015 0.000 1.940 14 A HA -0.082 4.239 4.320 0.001 0.000 0.219 14 A C 2.085 179.640 177.584 -0.048 0.000 1.176 14 A CA 2.094 54.117 52.037 -0.025 0.000 0.631 14 A CB -0.351 18.644 19.000 -0.007 0.000 0.814 14 A HN 0.302 nan 8.150 nan 0.000 0.446 15 D N -0.463 119.953 120.400 0.028 0.000 2.144 15 D HA -0.123 4.518 4.640 0.001 0.000 0.199 15 D C 1.806 177.939 176.300 -0.278 0.000 0.984 15 D CA 1.204 55.232 54.000 0.048 0.000 0.834 15 D CB -0.410 40.593 40.800 0.340 0.000 0.955 15 D HN 0.376 nan 8.370 nan 0.000 0.465 16 L N 0.659 121.490 121.223 -0.653 0.000 2.056 16 L HA -0.102 4.239 4.340 0.001 0.000 0.207 16 L C 2.190 178.725 176.870 -0.558 0.000 1.078 16 L CA 1.216 55.355 54.840 -1.168 0.000 0.749 16 L CB -0.508 40.810 42.059 -1.235 0.000 0.901 16 L HN -0.143 nan 8.230 nan 0.000 0.433 17 V N -1.022 118.689 119.914 -0.337 0.000 2.287 17 V HA -0.302 3.819 4.120 0.001 0.000 0.248 17 V C 2.539 178.528 176.094 -0.175 0.000 1.053 17 V CA 1.773 63.948 62.300 -0.208 0.000 1.027 17 V CB -0.568 31.169 31.823 -0.143 0.000 0.646 17 V HN 0.350 nan 8.190 nan 0.000 0.447 18 V N -0.367 119.452 119.914 -0.159 0.000 2.343 18 V HA -0.242 3.878 4.120 0.001 0.000 0.247 18 V C 2.555 178.581 176.094 -0.113 0.000 1.051 18 V CA 2.319 64.552 62.300 -0.113 0.000 1.036 18 V CB -0.660 31.122 31.823 -0.068 0.000 0.654 18 V HN 0.553 nan 8.190 nan 0.000 0.451 19 S N -0.654 114.963 115.700 -0.138 0.000 2.368 19 S HA -0.286 4.184 4.470 0.001 0.000 0.225 19 S C 2.016 176.543 174.600 -0.122 0.000 1.030 19 S CA 1.772 59.921 58.200 -0.086 0.000 0.999 19 S CB -0.345 62.826 63.200 -0.049 0.000 0.844 19 S HN 0.592 nan 8.310 nan 0.000 0.459 20 Q N 1.258 120.948 119.800 -0.182 0.000 2.124 20 Q HA 0.040 4.381 4.340 0.001 0.000 0.202 20 Q C 1.875 177.737 176.000 -0.230 0.000 0.977 20 Q CA 1.340 57.032 55.803 -0.184 0.000 0.850 20 Q CB -0.502 28.129 28.738 -0.178 0.000 0.901 20 Q HN 0.528 nan 8.270 nan 0.000 0.429 21 L N -0.115 120.990 121.223 -0.196 0.000 2.056 21 L HA -0.167 4.173 4.340 0.001 0.000 0.207 21 L C 2.286 179.034 176.870 -0.204 0.000 1.078 21 L CA 1.552 56.262 54.840 -0.217 0.000 0.749 21 L CB -0.446 41.549 42.059 -0.107 0.000 0.901 21 L HN 0.306 nan 8.230 nan 0.000 0.433 22 E N 0.194 120.312 120.200 -0.136 0.000 2.077 22 E HA -0.226 4.125 4.350 0.001 0.000 0.193 22 E C 2.269 178.798 176.600 -0.118 0.000 0.989 22 E CA 1.154 57.493 56.400 -0.102 0.000 0.800 22 E CB -0.171 29.494 29.700 -0.058 0.000 0.746 22 E HN 0.497 nan 8.360 nan 0.000 0.452 23 A N 1.180 123.919 122.820 -0.135 0.000 1.972 23 A HA -0.185 4.135 4.320 0.001 0.000 0.219 23 A C 1.989 179.460 177.584 -0.187 0.000 1.169 23 A CA 1.081 53.039 52.037 -0.132 0.000 0.635 23 A CB -0.153 18.775 19.000 -0.121 0.000 0.810 23 A HN 0.106 nan 8.150 nan 0.000 0.446 24 Q N -1.423 118.196 119.800 -0.300 0.000 2.472 24 Q HA 0.109 4.450 4.340 0.001 0.000 0.208 24 Q C 1.248 177.103 176.000 -0.242 0.000 0.958 24 Q CA 0.803 56.362 55.803 -0.406 0.000 0.932 24 Q CB -0.075 28.102 28.738 -0.935 0.000 1.007 24 Q HN 0.993 nan 8.270 nan 0.000 0.508 25 G N 0.648 109.348 108.800 -0.166 0.000 2.136 25 G HA2 -0.259 3.702 3.960 0.001 0.000 0.242 25 G HA3 -0.259 3.702 3.960 0.001 0.000 0.242 25 G C 0.226 175.083 174.900 -0.071 0.000 0.989 25 G CA 0.243 45.285 45.100 -0.096 0.000 0.682 25 G HN 0.231 nan 8.290 nan 0.000 0.522 26 V N 0.532 120.393 119.914 -0.088 0.000 2.540 26 V HA 0.130 4.251 4.120 0.001 0.000 0.297 26 V C 1.783 177.851 176.094 -0.044 0.000 1.024 26 V CA 0.997 63.277 62.300 -0.033 0.000 1.105 26 V CB 1.014 32.825 31.823 -0.020 0.000 0.938 26 V HN 0.504 nan 8.190 nan 0.000 0.482 27 R N 2.632 123.110 120.500 -0.036 0.000 2.237 27 R HA 0.145 4.486 4.340 0.001 0.000 0.195 27 R C 0.361 176.607 176.300 -0.091 0.000 0.956 27 R CA 0.243 56.310 56.100 -0.054 0.000 1.029 27 R CB 0.333 30.608 30.300 -0.042 0.000 0.972 27 R HN 0.867 nan 8.270 nan 0.000 0.493 28 Q N -0.180 119.539 119.800 -0.134 0.000 2.575 28 Q HA 0.333 4.673 4.340 0.001 0.000 0.290 28 Q C -1.455 174.349 176.000 -0.327 0.000 0.963 28 Q CA -0.791 54.862 55.803 -0.250 0.000 0.783 28 Q CB 1.778 30.299 28.738 -0.361 0.000 1.467 28 Q HN -0.130 nan 8.270 nan 0.000 0.402 29 V N 1.568 121.263 119.914 -0.365 0.000 2.656 29 V HA 0.594 4.715 4.120 0.001 0.000 0.307 29 V C -1.046 174.856 176.094 -0.320 0.000 1.051 29 V CA -0.570 61.563 62.300 -0.279 0.000 0.893 29 V CB 1.481 33.188 31.823 -0.193 0.000 0.999 29 V HN 0.674 nan 8.190 nan 0.000 0.426 30 F N 2.540 122.529 119.950 0.066 0.000 2.436 30 F HA 0.903 5.431 4.527 0.001 0.000 0.340 30 F C 0.831 176.706 175.800 0.126 0.000 1.113 30 F CA -0.003 58.062 58.000 0.108 0.000 1.022 30 F CB 2.044 41.114 39.000 0.116 0.000 1.128 30 F HN 0.752 nan 8.300 nan 0.000 0.466 31 G N 2.312 111.327 108.800 0.359 0.000 2.325 31 G HA2 0.540 4.500 3.960 0.001 0.000 0.295 31 G HA3 0.540 4.500 3.960 0.001 0.000 0.295 31 G C -2.074 173.020 174.900 0.324 0.000 1.274 31 G CA -0.837 44.469 45.100 0.342 0.000 0.857 31 G HN 0.494 nan 8.290 nan 0.000 0.499 32 I N 2.181 122.921 120.570 0.284 0.000 2.548 32 I HA 0.357 4.527 4.170 0.001 0.000 0.287 32 I C -2.294 173.752 176.117 -0.117 0.000 1.103 32 I CA -1.900 59.431 61.300 0.050 0.000 1.049 32 I CB 3.034 41.043 38.000 0.015 0.000 1.232 32 I HN 0.299 nan 8.210 nan 0.000 0.429 33 P HA 0.367 nan 4.420 nan 0.000 0.274 33 P C -0.378 176.736 177.300 -0.310 0.000 1.246 33 P CA 0.019 62.584 63.100 -0.892 0.000 0.795 33 P CB 1.525 32.420 31.700 -1.341 0.000 1.006 34 G N -1.482 107.213 108.800 -0.176 0.000 2.673 34 G HA2 0.436 4.397 3.960 0.001 0.000 0.292 34 G HA3 0.436 4.397 3.960 0.001 0.000 0.292 34 G C 0.522 175.402 174.900 -0.034 0.000 1.450 34 G CA -0.057 44.998 45.100 -0.074 0.000 0.837 34 G HN 0.396 nan 8.290 nan 0.000 0.505 35 A N 0.756 123.562 122.820 -0.023 0.000 1.884 35 A HA -0.104 4.217 4.320 0.001 0.000 0.219 35 A C 2.343 179.934 177.584 0.013 0.000 1.197 35 A CA 2.281 54.314 52.037 -0.008 0.000 0.637 35 A CB -0.441 18.556 19.000 -0.006 0.000 0.827 35 A HN 0.504 nan 8.150 nan 0.000 0.450 36 K N -1.157 119.256 120.400 0.022 0.000 2.152 36 K HA -0.098 4.223 4.320 0.001 0.000 0.206 36 K C 1.465 178.093 176.600 0.047 0.000 1.048 36 K CA 1.348 57.654 56.287 0.032 0.000 0.933 36 K CB -0.456 32.065 32.500 0.035 0.000 0.721 36 K HN 0.547 nan 8.250 nan 0.000 0.447 37 I N 1.631 122.248 120.570 0.078 0.000 4.018 37 I HA -0.077 4.094 4.170 0.001 0.000 0.337 37 I C 0.593 176.834 176.117 0.207 0.000 1.327 37 I CA -0.009 61.370 61.300 0.131 0.000 1.100 37 I CB 0.017 38.131 38.000 0.190 0.000 1.025 37 I HN 0.050 nan 8.210 nan 0.000 0.396 38 D N 0.218 120.698 120.400 0.135 0.000 2.311 38 D HA -0.280 4.361 4.640 0.001 0.000 0.212 38 D C 1.905 178.287 176.300 0.136 0.000 0.972 38 D CA 0.988 55.074 54.000 0.143 0.000 0.887 38 D CB -0.267 40.542 40.800 0.015 0.000 0.915 38 D HN 0.122 nan 8.370 nan 0.000 0.497 39 K N 0.496 120.934 120.400 0.065 0.000 2.148 39 K HA -0.005 4.316 4.320 0.001 0.000 0.204 39 K C 1.827 178.435 176.600 0.014 0.000 1.050 39 K CA 0.721 57.006 56.287 -0.004 0.000 0.942 39 K CB -0.321 32.143 32.500 -0.060 0.000 0.724 39 K HN 0.136 nan 8.250 nan 0.000 0.446 40 V N 0.408 120.344 119.914 0.036 0.000 2.427 40 V HA -0.163 3.958 4.120 0.001 0.000 0.248 40 V C 1.875 177.933 176.094 -0.060 0.000 1.051 40 V CA 1.583 63.858 62.300 -0.042 0.000 1.048 40 V CB -0.579 31.180 31.823 -0.106 0.000 0.666 40 V HN 0.166 nan 8.190 nan 0.000 0.456 41 F N 0.910 120.847 119.950 -0.021 0.000 2.134 41 F HA -0.188 4.339 4.527 0.001 0.000 0.299 41 F C 2.277 178.067 175.800 -0.017 0.000 1.097 41 F CA 2.145 60.137 58.000 -0.014 0.000 1.264 41 F CB -0.473 38.522 39.000 -0.008 0.000 1.001 41 F HN 0.247 nan 8.300 nan 0.000 0.479 42 D N -0.531 119.963 120.400 0.158 0.000 2.097 42 D HA -0.162 4.478 4.640 0.001 0.000 0.195 42 D C 2.175 178.498 176.300 0.038 0.000 0.989 42 D CA 1.750 55.794 54.000 0.072 0.000 0.827 42 D CB -0.112 40.701 40.800 0.023 0.000 0.966 42 D HN 0.050 nan 8.370 nan 0.000 0.456 43 S N -0.475 115.234 115.700 0.015 0.000 2.400 43 S HA -0.104 4.366 4.470 0.001 0.000 0.232 43 S C 1.993 176.597 174.600 0.006 0.000 1.025 43 S CA 0.554 58.762 58.200 0.014 0.000 0.993 43 S CB -0.312 62.890 63.200 0.003 0.000 0.808 43 S HN 0.331 nan 8.310 nan 0.000 0.478 44 L N 1.027 122.241 121.223 -0.015 0.000 2.265 44 L HA -0.057 4.283 4.340 0.001 0.000 0.215 44 L C 2.018 178.889 176.870 0.002 0.000 1.117 44 L CA 0.636 55.458 54.840 -0.030 0.000 0.782 44 L CB -0.529 41.484 42.059 -0.077 0.000 0.914 44 L HN 0.313 nan 8.230 nan 0.000 0.441 45 L N -0.467 120.771 121.223 0.025 0.000 2.083 45 L HA -0.220 4.120 4.340 0.001 0.000 0.209 45 L C 1.377 178.262 176.870 0.024 0.000 1.083 45 L CA 1.084 55.942 54.840 0.031 0.000 0.752 45 L CB -0.390 41.692 42.059 0.039 0.000 0.899 45 L HN 0.322 nan 8.230 nan 0.000 0.433 46 D N -0.790 119.626 120.400 0.026 0.000 2.319 46 D HA 0.038 4.678 4.640 0.001 0.000 0.230 46 D C 0.704 177.017 176.300 0.023 0.000 1.094 46 D CA 0.246 54.264 54.000 0.029 0.000 0.856 46 D CB 0.475 41.300 40.800 0.042 0.000 0.915 46 D HN 0.086 nan 8.370 nan 0.000 0.517 47 S N -0.453 115.253 115.700 0.011 0.000 2.689 47 S HA 0.275 4.746 4.470 0.001 0.000 0.306 47 S C 1.257 175.852 174.600 -0.007 0.000 1.104 47 S CA -0.496 57.705 58.200 0.000 0.000 0.973 47 S CB 1.704 64.895 63.200 -0.015 0.000 1.121 47 S HN 0.023 nan 8.310 nan 0.000 0.523 48 S N 1.634 117.325 115.700 -0.013 0.000 2.522 48 S HA 0.219 4.690 4.470 0.001 0.000 0.227 48 S C 0.633 175.215 174.600 -0.029 0.000 0.986 48 S CA -0.048 58.142 58.200 -0.017 0.000 0.929 48 S CB -0.733 62.456 63.200 -0.018 0.000 0.769 48 S HN 0.637 nan 8.310 nan 0.000 0.529 49 I N 2.747 123.294 120.570 -0.039 0.000 2.533 49 I HA 0.169 4.339 4.170 0.001 0.000 0.284 49 I C 0.841 176.923 176.117 -0.058 0.000 1.109 49 I CA -0.310 60.955 61.300 -0.058 0.000 1.412 49 I CB 0.467 38.423 38.000 -0.073 0.000 1.396 49 I HN 0.166 nan 8.210 nan 0.000 0.543 50 R N 7.011 127.468 120.500 -0.071 0.000 2.389 50 R HA 0.391 4.732 4.340 0.001 0.000 0.295 50 R C -0.684 175.565 176.300 -0.086 0.000 1.075 50 R CA -0.464 55.599 56.100 -0.061 0.000 1.005 50 R CB 0.543 30.807 30.300 -0.059 0.000 0.987 50 R HN 0.579 nan 8.270 nan 0.000 0.452 51 I N 6.714 127.265 120.570 -0.032 0.000 2.312 51 I HA 0.174 4.345 4.170 0.001 0.000 0.291 51 I C 0.035 176.171 176.117 0.031 0.000 1.031 51 I CA -0.157 61.144 61.300 0.002 0.000 1.293 51 I CB 1.017 39.073 38.000 0.093 0.000 1.403 51 I HN 0.495 nan 8.210 nan 0.000 0.484 52 I N 8.983 129.556 120.570 0.004 0.000 2.388 52 I HA 0.293 4.463 4.170 0.001 0.000 0.281 52 I C -2.326 173.905 176.117 0.189 0.000 1.046 52 I CA -1.921 59.424 61.300 0.075 0.000 1.187 52 I CB 0.989 38.997 38.000 0.013 0.000 1.351 52 I HN 0.229 nan 8.210 nan 0.000 0.472 53 P HA 0.071 nan 4.420 nan 0.000 0.271 53 P C -0.221 177.193 177.300 0.191 0.000 1.220 53 P CA -0.065 63.144 63.100 0.183 0.000 0.768 53 P CB 0.871 32.641 31.700 0.117 0.000 0.848 54 V N 2.167 122.199 119.914 0.197 0.000 3.234 54 V HA 0.551 4.672 4.120 0.001 0.000 0.317 54 V C 1.008 177.181 176.094 0.133 0.000 1.147 54 V CA -0.563 61.847 62.300 0.183 0.000 1.037 54 V CB 2.089 34.035 31.823 0.204 0.000 1.148 54 V HN 0.218 nan 8.190 nan 0.000 0.455 55 R N -0.732 119.847 120.500 0.133 0.000 2.308 55 R HA 0.325 4.666 4.340 0.001 0.000 0.202 55 R C -0.136 176.250 176.300 0.143 0.000 0.898 55 R CA 0.505 56.676 56.100 0.120 0.000 1.046 55 R CB -0.492 29.884 30.300 0.126 0.000 1.026 55 R HN 1.010 nan 8.270 nan 0.000 0.512 56 H N -0.478 118.625 119.070 0.054 0.000 3.042 56 H HA 0.162 4.718 4.556 0.001 0.000 0.345 56 H C 0.092 175.442 175.328 0.036 0.000 1.052 56 H CA -0.218 55.852 56.048 0.038 0.000 1.311 56 H CB 1.427 31.205 29.762 0.027 0.000 1.810 56 H HN -0.230 nan 8.280 nan 0.000 0.505 57 E N 3.145 123.316 120.200 -0.048 0.000 2.147 57 E HA -0.251 4.099 4.350 0.001 0.000 0.199 57 E C 2.008 178.659 176.600 0.085 0.000 1.005 57 E CA 1.874 58.299 56.400 0.041 0.000 0.810 57 E CB -0.074 29.617 29.700 -0.015 0.000 0.736 57 E HN 0.672 nan 8.360 nan 0.000 0.460 58 A N 1.380 124.332 122.820 0.219 0.000 1.917 58 A HA -0.270 4.051 4.320 0.001 0.000 0.219 58 A C 1.771 179.183 177.584 -0.288 0.000 1.182 58 A CA 1.863 53.850 52.037 -0.083 0.000 0.633 58 A CB -0.553 18.425 19.000 -0.036 0.000 0.819 58 A HN 0.203 nan 8.150 nan 0.000 0.448 59 N N 0.234 118.950 118.700 0.026 0.000 2.396 59 N HA -0.020 4.721 4.740 0.001 0.000 0.180 59 N C 1.741 177.263 175.510 0.021 0.000 1.028 59 N CA 1.178 54.300 53.050 0.120 0.000 0.893 59 N CB -0.443 38.138 38.487 0.157 0.000 0.967 59 N HN 0.516 nan 8.380 nan 0.000 0.440 60 A N 1.110 123.942 122.820 0.019 0.000 1.930 60 A HA 0.085 4.405 4.320 0.001 0.000 0.217 60 A C 2.380 179.938 177.584 -0.043 0.000 1.175 60 A CA 1.616 53.674 52.037 0.036 0.000 0.627 60 A CB -0.546 18.549 19.000 0.159 0.000 0.815 60 A HN 0.296 nan 8.150 nan 0.000 0.443 61 A N -0.992 121.772 122.820 -0.092 0.000 1.897 61 A HA 0.051 4.371 4.320 0.001 0.000 0.215 61 A C 2.025 179.584 177.584 -0.041 0.000 1.181 61 A CA 1.219 53.194 52.037 -0.103 0.000 0.620 61 A CB -0.751 18.119 19.000 -0.217 0.000 0.821 61 A HN 0.512 nan 8.150 nan 0.000 0.443 62 F N -0.423 119.539 119.950 0.020 0.000 2.102 62 F HA -0.209 4.318 4.527 0.001 0.000 0.298 62 F C 2.659 178.521 175.800 0.103 0.000 1.105 62 F CA 1.336 59.376 58.000 0.066 0.000 1.239 62 F CB -0.351 38.584 39.000 -0.108 0.000 0.991 62 F HN 0.129 nan 8.300 nan 0.000 0.474 63 M N -0.079 119.541 119.600 0.033 0.000 2.117 63 M HA -0.183 4.298 4.480 0.001 0.000 0.262 63 M C 2.548 178.648 176.300 -0.333 0.000 1.065 63 M CA 1.637 56.757 55.300 -0.299 0.000 1.114 63 M CB -0.597 31.423 32.600 -0.965 0.000 1.361 63 M HN 0.208 nan 8.290 nan 0.000 0.408 64 A N 0.511 123.173 122.820 -0.263 0.000 1.902 64 A HA -0.082 4.239 4.320 0.001 0.000 0.217 64 A C 2.384 180.035 177.584 0.111 0.000 1.181 64 A CA 1.924 53.997 52.037 0.060 0.000 0.623 64 A CB -0.967 18.124 19.000 0.152 0.000 0.818 64 A HN 0.498 nan 8.150 nan 0.000 0.443 65 A N -0.051 122.850 122.820 0.135 0.000 1.908 65 A HA 0.075 4.396 4.320 0.001 0.000 0.218 65 A C 2.514 180.141 177.584 0.072 0.000 1.181 65 A CA 2.351 54.479 52.037 0.151 0.000 0.627 65 A CB -1.060 18.118 19.000 0.297 0.000 0.818 65 A HN 1.120 nan 8.150 nan 0.000 0.445 66 A N -0.793 122.074 122.820 0.079 0.000 1.933 66 A HA 0.026 4.346 4.320 0.001 0.000 0.218 66 A C 2.235 179.841 177.584 0.038 0.000 1.175 66 A CA 1.734 53.767 52.037 -0.005 0.000 0.628 66 A CB -0.860 18.180 19.000 0.067 0.000 0.814 66 A HN 0.392 nan 8.150 nan 0.000 0.444 67 V N -0.184 119.791 119.914 0.103 0.000 2.358 67 V HA -0.166 3.955 4.120 0.001 0.000 0.246 67 V C 2.795 178.944 176.094 0.092 0.000 1.047 67 V CA 1.979 64.358 62.300 0.133 0.000 1.035 67 V CB -1.310 30.659 31.823 0.245 0.000 0.658 67 V HN 0.609 nan 8.190 nan 0.000 0.452 68 G N -0.540 108.312 108.800 0.087 0.000 2.402 68 G HA2 -0.277 3.683 3.960 0.001 0.000 0.216 68 G HA3 -0.277 3.683 3.960 0.001 0.000 0.216 68 G C 1.705 176.622 174.900 0.029 0.000 1.162 68 G CA 0.851 45.990 45.100 0.065 0.000 0.777 68 G HN 0.427 nan 8.290 nan 0.000 0.539 69 R N 0.039 120.539 120.500 0.001 0.000 2.091 69 R HA 0.000 4.341 4.340 0.001 0.000 0.238 69 R C 2.468 178.752 176.300 -0.026 0.000 1.136 69 R CA 1.343 57.423 56.100 -0.033 0.000 0.959 69 R CB -0.294 29.948 30.300 -0.097 0.000 0.856 69 R HN 0.443 nan 8.270 nan 0.000 0.437 70 I N -0.092 120.469 120.570 -0.015 0.000 2.277 70 I HA -0.190 3.981 4.170 0.001 0.000 0.243 70 I C 2.382 178.500 176.117 0.001 0.000 1.094 70 I CA 1.660 62.954 61.300 -0.010 0.000 1.393 70 I CB -0.346 37.652 38.000 -0.003 0.000 1.078 70 I HN 0.352 nan 8.210 nan 0.000 0.417 71 T N -2.123 112.441 114.554 0.017 0.000 3.067 71 T HA 0.188 4.539 4.350 0.001 0.000 0.261 71 T C 1.695 176.408 174.700 0.021 0.000 1.110 71 T CA 0.656 62.767 62.100 0.019 0.000 1.113 71 T CB 0.312 69.200 68.868 0.032 0.000 0.917 71 T HN 0.547 nan 8.240 nan 0.000 0.499 72 G N 1.379 110.194 108.800 0.025 0.000 2.205 72 G HA2 -0.222 3.739 3.960 0.001 0.000 0.261 72 G HA3 -0.222 3.739 3.960 0.001 0.000 0.261 72 G C 0.028 174.956 174.900 0.047 0.000 0.980 72 G CA 0.230 45.346 45.100 0.027 0.000 0.632 72 G HN 0.623 nan 8.290 nan 0.000 0.533 73 K N 0.797 121.235 120.400 0.063 0.000 2.206 73 K HA 0.712 5.033 4.320 0.001 0.000 0.264 73 K C 0.534 177.214 176.600 0.133 0.000 0.967 73 K CA 0.027 56.376 56.287 0.102 0.000 0.844 73 K CB 1.784 34.334 32.500 0.083 0.000 1.099 73 K HN 0.662 nan 8.250 nan 0.000 0.441 74 A N 2.300 125.228 122.820 0.180 0.000 2.546 74 A HA 0.291 4.612 4.320 0.001 0.000 0.243 74 A C 0.752 178.432 177.584 0.161 0.000 1.063 74 A CA 0.442 52.547 52.037 0.114 0.000 0.757 74 A CB -0.155 18.806 19.000 -0.064 0.000 0.991 74 A HN 0.730 nan 8.150 nan 0.000 0.503 75 G N 0.407 109.287 108.800 0.134 0.000 2.539 75 G HA2 0.487 4.448 3.960 0.001 0.000 0.258 75 G HA3 0.487 4.448 3.960 0.001 0.000 0.258 75 G C -0.502 174.508 174.900 0.183 0.000 1.202 75 G CA -0.292 44.936 45.100 0.213 0.000 0.851 75 G HN 0.925 nan 8.290 nan 0.000 0.556 76 V N 0.706 120.771 119.914 0.252 0.000 2.487 76 V HA 0.686 4.807 4.120 0.001 0.000 0.298 76 V C 0.358 176.590 176.094 0.230 0.000 1.028 76 V CA -0.744 61.659 62.300 0.171 0.000 0.860 76 V CB 1.238 33.144 31.823 0.139 0.000 0.991 76 V HN 1.105 nan 8.190 nan 0.000 0.427 77 A N 4.810 127.724 122.820 0.157 0.000 2.337 77 A HA 0.936 5.256 4.320 0.001 0.000 0.329 77 A C -1.210 176.428 177.584 0.091 0.000 1.146 77 A CA -0.549 51.593 52.037 0.175 0.000 0.800 77 A CB 1.376 20.469 19.000 0.156 0.000 1.220 77 A HN 0.834 nan 8.150 nan 0.000 0.472 78 L N 3.438 124.717 121.223 0.094 0.000 2.404 78 L HA 0.702 5.042 4.340 0.001 0.000 0.272 78 L C -0.526 176.467 176.870 0.205 0.000 0.980 78 L CA -0.350 54.510 54.840 0.032 0.000 0.836 78 L CB 1.740 43.655 42.059 -0.240 0.000 1.238 78 L HN 0.938 nan 8.230 nan 0.000 0.408 79 V N 0.899 120.930 119.914 0.195 0.000 3.158 79 V HA 0.764 4.885 4.120 0.001 0.000 0.311 79 V C -0.144 176.066 176.094 0.194 0.000 1.181 79 V CA -0.423 62.009 62.300 0.219 0.000 1.054 79 V CB 1.634 33.557 31.823 0.168 0.000 1.085 79 V HN 0.733 nan 8.190 nan 0.000 0.446 80 T N 0.696 115.338 114.554 0.146 0.000 2.880 80 T HA 0.536 4.887 4.350 0.001 0.000 0.279 80 T C 0.586 175.345 174.700 0.098 0.000 0.990 80 T CA 0.369 62.534 62.100 0.109 0.000 0.938 80 T CB 1.129 70.033 68.868 0.059 0.000 1.206 80 T HN 1.639 nan 8.240 nan 0.000 0.573 81 S N 0.190 115.937 115.700 0.078 0.000 2.606 81 S HA 0.511 4.982 4.470 0.001 0.000 0.257 81 S C 1.344 175.985 174.600 0.069 0.000 1.327 81 S CA -0.064 58.185 58.200 0.081 0.000 0.984 81 S CB -0.392 62.844 63.200 0.061 0.000 0.941 81 S HN 1.628 nan 8.310 nan 0.000 0.576 82 G N 1.615 110.458 108.800 0.071 0.000 2.634 82 G HA2 -0.296 3.665 3.960 0.001 0.000 0.318 82 G HA3 -0.296 3.665 3.960 0.001 0.000 0.318 82 G C -1.001 173.925 174.900 0.043 0.000 1.207 82 G CA 0.353 45.483 45.100 0.050 0.000 0.987 82 G HN 0.753 nan 8.290 nan 0.000 0.547 83 P HA -0.073 nan 4.420 nan 0.000 0.221 83 P C 1.903 179.204 177.300 0.002 0.000 1.145 83 P CA 2.534 65.635 63.100 0.001 0.000 0.795 83 P CB -0.727 30.965 31.700 -0.014 0.000 0.775 84 G N 0.639 109.454 108.800 0.024 0.000 2.440 84 G HA2 -0.309 3.651 3.960 0.001 0.000 0.218 84 G HA3 -0.309 3.651 3.960 0.001 0.000 0.218 84 G C 1.837 176.790 174.900 0.089 0.000 1.154 84 G CA 1.319 46.443 45.100 0.041 0.000 0.767 84 G HN 0.430 nan 8.290 nan 0.000 0.552 85 C N 0.628 120.008 119.300 0.133 0.000 2.492 85 C HA 0.168 4.629 4.460 0.001 0.000 0.279 85 C C 3.270 178.376 174.990 0.194 0.000 1.335 85 C CA 0.848 60.004 59.018 0.230 0.000 1.734 85 C CB -0.590 27.310 27.740 0.266 0.000 2.027 85 C HN 0.431 nan 8.230 nan 0.000 0.496 86 S N 1.722 117.462 115.700 0.066 0.000 2.442 86 S HA -0.184 4.287 4.470 0.001 0.000 0.236 86 S C 1.420 175.983 174.600 -0.063 0.000 1.007 86 S CA 1.607 59.774 58.200 -0.054 0.000 0.965 86 S CB -1.285 61.886 63.200 -0.049 0.000 0.773 86 S HN 0.790 nan 8.310 nan 0.000 0.504 87 N N 0.746 119.438 118.700 -0.013 0.000 2.512 87 N HA 0.194 4.935 4.740 0.001 0.000 0.183 87 N C 1.213 176.731 175.510 0.013 0.000 1.073 87 N CA 0.433 53.484 53.050 0.001 0.000 0.911 87 N CB -0.134 38.292 38.487 -0.102 0.000 0.964 87 N HN 0.407 nan 8.380 nan 0.000 0.447 88 L N 0.447 121.679 121.223 0.014 0.000 2.477 88 L HA 0.046 4.386 4.340 0.001 0.000 0.220 88 L C 1.745 178.555 176.870 -0.099 0.000 1.106 88 L CA -0.108 54.743 54.840 0.018 0.000 0.851 88 L CB -0.024 42.163 42.059 0.212 0.000 0.994 88 L HN 0.142 nan 8.230 nan 0.000 0.462 89 I N 0.283 120.691 120.570 -0.270 0.000 2.091 89 I HA -0.362 3.809 4.170 0.001 0.000 0.240 89 I C 2.460 178.433 176.117 -0.240 0.000 1.046 89 I CA 2.014 63.057 61.300 -0.429 0.000 1.306 89 I CB -1.707 36.007 38.000 -0.477 0.000 1.018 89 I HN 0.244 nan 8.210 nan 0.000 0.404 90 T N 0.872 115.322 114.554 -0.173 0.000 2.759 90 T HA -0.116 4.235 4.350 0.001 0.000 0.269 90 T C 1.911 176.538 174.700 -0.121 0.000 1.042 90 T CA 1.565 63.601 62.100 -0.106 0.000 1.140 90 T CB -0.772 68.066 68.868 -0.050 0.000 0.864 90 T HN 0.607 nan 8.240 nan 0.000 0.455 91 G N 1.201 109.811 108.800 -0.317 0.000 2.408 91 G HA2 -0.146 3.814 3.960 0.001 0.000 0.217 91 G HA3 -0.146 3.814 3.960 0.001 0.000 0.217 91 G C 1.526 176.323 174.900 -0.172 0.000 1.150 91 G CA 0.489 45.244 45.100 -0.575 0.000 0.776 91 G HN 0.296 nan 8.290 nan 0.000 0.542 92 M N 1.140 120.694 119.600 -0.075 0.000 2.175 92 M HA 0.113 4.594 4.480 0.001 0.000 0.264 92 M C 2.984 179.315 176.300 0.050 0.000 1.063 92 M CA 1.147 56.475 55.300 0.048 0.000 1.119 92 M CB -1.117 31.581 32.600 0.164 0.000 1.377 92 M HN 0.313 nan 8.290 nan 0.000 0.415 93 A N -0.102 122.720 122.820 0.002 0.000 1.902 93 A HA -0.128 4.193 4.320 0.001 0.000 0.217 93 A C 2.327 179.952 177.584 0.068 0.000 1.181 93 A CA 2.187 54.233 52.037 0.015 0.000 0.623 93 A CB -1.071 17.913 19.000 -0.028 0.000 0.818 93 A HN 0.463 nan 8.150 nan 0.000 0.443 94 T N 0.244 114.869 114.554 0.118 0.000 2.746 94 T HA 0.002 4.352 4.350 0.001 0.000 0.267 94 T C 2.233 177.068 174.700 0.226 0.000 1.039 94 T CA 1.519 63.746 62.100 0.212 0.000 1.142 94 T CB -0.424 68.677 68.868 0.388 0.000 0.866 94 T HN 0.589 nan 8.240 nan 0.000 0.444 95 A N 1.865 124.810 122.820 0.209 0.000 1.902 95 A HA -0.150 4.170 4.320 0.001 0.000 0.217 95 A C 2.200 179.855 177.584 0.117 0.000 1.181 95 A CA 1.978 54.124 52.037 0.181 0.000 0.623 95 A CB -0.861 18.230 19.000 0.151 0.000 0.818 95 A HN 0.468 nan 8.150 nan 0.000 0.443 96 N N -0.132 118.625 118.700 0.095 0.000 2.166 96 N HA -0.095 4.645 4.740 0.001 0.000 0.186 96 N C 1.867 177.407 175.510 0.050 0.000 1.019 96 N CA 1.670 54.761 53.050 0.068 0.000 0.856 96 N CB -0.193 38.332 38.487 0.063 0.000 0.993 96 N HN 0.345 nan 8.380 nan 0.000 0.426 97 S N -0.005 115.729 115.700 0.058 0.000 2.382 97 S HA -0.044 4.426 4.470 0.001 0.000 0.228 97 S C 1.181 175.809 174.600 0.047 0.000 1.027 97 S CA 0.906 59.130 58.200 0.041 0.000 0.991 97 S CB -0.148 63.082 63.200 0.051 0.000 0.823 97 S HN 0.388 nan 8.310 nan 0.000 0.469 98 E N -0.024 120.223 120.200 0.078 0.000 2.479 98 E HA 0.198 4.549 4.350 0.001 0.000 0.193 98 E C 1.241 177.862 176.600 0.036 0.000 1.049 98 E CA 0.446 56.886 56.400 0.066 0.000 0.870 98 E CB -0.087 29.670 29.700 0.095 0.000 0.944 98 E HN 0.504 nan 8.360 nan 0.000 0.492 99 G N 2.328 111.151 108.800 0.038 0.000 2.160 99 G HA2 -0.198 3.763 3.960 0.001 0.000 0.244 99 G HA3 -0.198 3.763 3.960 0.001 0.000 0.244 99 G C -0.546 174.371 174.900 0.028 0.000 1.022 99 G CA 0.058 45.175 45.100 0.029 0.000 0.741 99 G HN 0.126 nan 8.290 nan 0.000 0.508 100 D N 1.444 121.869 120.400 0.041 0.000 2.280 100 D HA 0.386 5.027 4.640 0.001 0.000 0.243 100 D C -2.024 174.303 176.300 0.044 0.000 1.129 100 D CA -1.232 52.791 54.000 0.037 0.000 0.848 100 D CB 1.727 42.559 40.800 0.054 0.000 1.107 100 D HN 0.180 nan 8.370 nan 0.000 0.471 101 P HA 0.074 nan 4.420 nan 0.000 0.276 101 P C -0.607 176.702 177.300 0.015 0.000 1.264 101 P CA -0.189 62.923 63.100 0.019 0.000 0.769 101 P CB 0.839 32.553 31.700 0.025 0.000 0.840 102 V N 5.069 124.976 119.914 -0.011 0.000 2.733 102 V HA 0.252 4.373 4.120 0.001 0.000 0.306 102 V C -0.022 176.008 176.094 -0.107 0.000 1.084 102 V CA -0.763 61.526 62.300 -0.018 0.000 0.905 102 V CB 2.694 34.546 31.823 0.048 0.000 1.010 102 V HN 0.214 nan 8.190 nan 0.000 0.424 103 V N 3.834 123.619 119.914 -0.216 0.000 2.384 103 V HA 0.815 4.936 4.120 0.001 0.000 0.287 103 V C 0.288 176.294 176.094 -0.147 0.000 1.020 103 V CA -0.368 61.731 62.300 -0.335 0.000 0.850 103 V CB 1.725 33.009 31.823 -0.898 0.000 0.987 103 V HN 1.009 nan 8.190 nan 0.000 0.436 104 A N 6.594 129.375 122.820 -0.064 0.000 2.303 104 A HA 0.855 5.176 4.320 0.001 0.000 0.320 104 A C -0.818 176.702 177.584 -0.107 0.000 1.192 104 A CA -0.507 51.534 52.037 0.008 0.000 0.821 104 A CB 0.699 19.788 19.000 0.149 0.000 1.188 104 A HN 0.803 nan 8.150 nan 0.000 0.492 105 L N 3.155 124.318 121.223 -0.100 0.000 2.276 105 L HA 0.604 4.945 4.340 0.001 0.000 0.286 105 L C 0.625 177.429 176.870 -0.110 0.000 1.024 105 L CA -0.429 54.300 54.840 -0.185 0.000 0.826 105 L CB 1.673 43.656 42.059 -0.127 0.000 1.211 105 L HN 0.798 nan 8.230 nan 0.000 0.422 106 G N 1.686 110.367 108.800 -0.199 0.000 2.415 106 G HA2 0.568 4.529 3.960 0.001 0.000 0.327 106 G HA3 0.568 4.529 3.960 0.001 0.000 0.327 106 G C 0.028 174.924 174.900 -0.007 0.000 1.182 106 G CA -0.482 44.636 45.100 0.030 0.000 0.924 106 G HN 0.635 nan 8.290 nan 0.000 0.470 107 G N -0.378 108.456 108.800 0.058 0.000 2.667 107 G HA2 0.667 4.628 3.960 0.001 0.000 0.250 107 G HA3 0.667 4.628 3.960 0.001 0.000 0.250 107 G C 0.009 174.942 174.900 0.056 0.000 1.212 107 G CA 0.558 45.684 45.100 0.044 0.000 0.874 107 G HN 1.461 nan 8.290 nan 0.000 0.561 108 A N -0.716 122.126 122.820 0.037 0.000 2.606 108 A HA 0.693 5.013 4.320 0.001 0.000 0.293 108 A C -0.021 177.582 177.584 0.031 0.000 1.082 108 A CA -0.045 52.018 52.037 0.044 0.000 0.685 108 A CB 0.929 19.950 19.000 0.036 0.000 1.284 108 A HN 2.117 nan 8.150 nan 0.000 0.408 109 V N -0.514 119.419 119.914 0.032 0.000 3.139 109 V HA 0.318 4.439 4.120 0.001 0.000 0.307 109 V C 0.365 176.471 176.094 0.019 0.000 1.095 109 V CA -0.411 61.904 62.300 0.024 0.000 1.160 109 V CB -0.260 31.577 31.823 0.023 0.000 1.003 109 V HN 0.843 nan 8.190 nan 0.000 0.489 110 K N 2.140 122.550 120.400 0.017 0.000 2.518 110 K HA 0.081 4.402 4.320 0.001 0.000 0.276 110 K C 1.432 178.040 176.600 0.013 0.000 0.974 110 K CA 0.198 56.493 56.287 0.015 0.000 0.986 110 K CB 0.358 32.868 32.500 0.015 0.000 0.901 110 K HN 0.612 nan 8.250 nan 0.000 0.497 111 R N 1.417 121.923 120.500 0.011 0.000 2.103 111 R HA -0.242 4.098 4.340 0.001 0.000 0.242 111 R C 2.225 178.531 176.300 0.010 0.000 1.142 111 R CA 1.801 57.906 56.100 0.009 0.000 0.960 111 R CB -0.456 29.848 30.300 0.007 0.000 0.858 111 R HN 0.768 nan 8.270 nan 0.000 0.439 112 A N 1.329 124.155 122.820 0.011 0.000 1.978 112 A HA -0.190 4.131 4.320 0.001 0.000 0.220 112 A C 1.505 179.095 177.584 0.011 0.000 1.170 112 A CA 1.755 53.798 52.037 0.010 0.000 0.636 112 A CB -0.281 18.726 19.000 0.011 0.000 0.810 112 A HN 0.216 nan 8.150 nan 0.000 0.448 113 D N -0.496 119.911 120.400 0.012 0.000 2.277 113 D HA -0.010 4.631 4.640 0.001 0.000 0.208 113 D C 1.126 177.434 176.300 0.013 0.000 0.962 113 D CA 0.573 54.580 54.000 0.012 0.000 0.865 113 D CB -0.020 40.788 40.800 0.013 0.000 0.939 113 D HN 0.542 nan 8.370 nan 0.000 0.510 122 M N 2.842 122.462 119.600 0.033 0.000 2.108 122 M HA 0.294 4.774 4.480 0.001 0.000 0.354 122 M C -0.789 175.542 176.300 0.052 0.000 1.229 122 M CA -0.365 54.957 55.300 0.037 0.000 1.081 122 M CB 0.500 33.125 32.600 0.042 0.000 1.606 122 M HN 0.710 nan 8.290 nan 0.000 0.467 123 D N 3.929 124.354 120.400 0.043 0.000 2.508 123 D HA 0.032 4.673 4.640 0.001 0.000 0.224 123 D C 1.272 177.619 176.300 0.078 0.000 1.171 123 D CA 0.062 54.095 54.000 0.055 0.000 1.006 123 D CB 0.580 41.401 40.800 0.035 0.000 1.073 123 D HN 0.762 nan 8.370 nan 0.000 0.513 124 T N -1.162 113.467 114.554 0.125 0.000 2.788 124 T HA -0.144 4.207 4.350 0.001 0.000 0.268 124 T C 2.088 176.916 174.700 0.213 0.000 1.044 124 T CA 0.765 62.971 62.100 0.177 0.000 1.139 124 T CB -0.330 68.669 68.868 0.219 0.000 0.867 124 T HN 0.137 nan 8.240 nan 0.000 0.454 125 V N 2.374 122.419 119.914 0.218 0.000 2.332 125 V HA -0.146 3.975 4.120 0.001 0.000 0.248 125 V C 3.258 179.431 176.094 0.132 0.000 1.055 125 V CA 1.801 64.220 62.300 0.199 0.000 1.038 125 V CB -1.465 30.428 31.823 0.117 0.000 0.651 125 V HN 0.708 nan 8.190 nan 0.000 0.450 126 A N -0.822 122.049 122.820 0.084 0.000 1.930 126 A HA -0.207 4.113 4.320 0.001 0.000 0.217 126 A C 2.212 179.809 177.584 0.022 0.000 1.175 126 A CA 2.113 54.176 52.037 0.044 0.000 0.627 126 A CB -0.451 18.564 19.000 0.025 0.000 0.815 126 A HN 0.515 nan 8.150 nan 0.000 0.443 127 M N -2.130 117.479 119.600 0.015 0.000 2.175 127 M HA -0.019 4.462 4.480 0.001 0.000 0.264 127 M C 1.712 177.903 176.300 -0.183 0.000 1.063 127 M CA 1.397 56.641 55.300 -0.095 0.000 1.119 127 M CB -0.281 32.236 32.600 -0.139 0.000 1.377 127 M HN 0.437 nan 8.290 nan 0.000 0.415 128 F N -0.323 119.511 119.950 -0.193 0.000 2.416 128 F HA 0.002 4.529 4.527 0.000 0.000 0.296 128 F C 2.552 178.305 175.800 -0.078 0.000 1.099 128 F CA 0.667 58.549 58.000 -0.197 0.000 1.427 128 F CB -0.523 38.258 39.000 -0.365 0.000 1.079 128 F HN 0.023 nan 8.300 nan 0.000 0.536 129 S N 0.749 116.526 115.700 0.128 0.000 2.372 129 S HA -0.196 4.275 4.470 0.001 0.000 0.227 129 S C -0.447 174.182 174.600 0.048 0.000 1.044 129 S CA 1.814 60.063 58.200 0.082 0.000 1.050 129 S CB -1.368 61.862 63.200 0.050 0.000 0.901 129 S HN 0.237 nan 8.310 nan 0.000 0.447 130 P HA 0.027 nan 4.420 nan 0.000 0.230 130 P C 0.750 178.044 177.300 -0.010 0.000 1.158 130 P CA 0.732 63.828 63.100 -0.008 0.000 0.769 130 P CB -0.026 31.653 31.700 -0.035 0.000 0.807 131 V N -5.466 114.446 119.914 -0.004 0.000 3.166 131 V HA 0.352 4.473 4.120 0.001 0.000 0.332 131 V C 0.156 176.289 176.094 0.065 0.000 1.434 131 V CA 0.072 62.373 62.300 0.002 0.000 1.121 131 V CB -0.424 31.362 31.823 -0.063 0.000 1.062 131 V HN 0.054 nan 8.190 nan 0.000 0.489 132 T N -3.679 110.936 114.554 0.102 0.000 2.865 132 T HA 0.519 4.870 4.350 0.001 0.000 0.294 132 T C 0.207 174.983 174.700 0.127 0.000 1.119 132 T CA -0.511 61.675 62.100 0.143 0.000 1.007 132 T CB 2.598 71.599 68.868 0.222 0.000 1.225 132 T HN 0.026 nan 8.240 nan 0.000 0.515 133 K N -0.908 119.578 120.400 0.144 0.000 2.323 133 K HA 0.200 4.520 4.320 0.001 0.000 0.197 133 K C -0.616 176.115 176.600 0.219 0.000 1.043 133 K CA 0.248 56.623 56.287 0.147 0.000 0.997 133 K CB 0.288 32.862 32.500 0.124 0.000 0.807 133 K HN 0.606 nan 8.250 nan 0.000 0.497 134 Y N -0.032 120.304 120.300 0.061 0.000 2.401 134 Y HA 0.459 5.010 4.550 0.002 0.000 0.330 134 Y C -2.038 173.910 175.900 0.080 0.000 1.071 134 Y CA -0.992 57.140 58.100 0.053 0.000 1.049 134 Y CB 1.821 40.294 38.460 0.021 0.000 1.239 134 Y HN -0.126 nan 8.280 nan 0.000 0.437 135 A N 7.889 130.580 122.820 -0.215 0.000 2.414 135 A HA 0.757 5.078 4.320 0.001 0.000 0.286 135 A C -2.001 175.406 177.584 -0.294 0.000 1.073 135 A CA -0.507 51.477 52.037 -0.089 0.000 0.727 135 A CB 0.770 19.851 19.000 0.135 0.000 1.215 135 A HN 0.874 nan 8.150 nan 0.000 0.430 136 I N 0.969 121.330 120.570 -0.348 0.000 2.913 136 I HA 0.557 4.728 4.170 0.001 0.000 0.302 136 I C -1.150 174.837 176.117 -0.217 0.000 1.246 136 I CA -0.460 60.658 61.300 -0.304 0.000 1.010 136 I CB 2.198 39.926 38.000 -0.453 0.000 1.259 136 I HN 0.799 nan 8.210 nan 0.000 0.434 137 E N 4.928 125.048 120.200 -0.133 0.000 2.199 137 E HA 0.469 4.819 4.350 0.001 0.000 0.269 137 E C -1.605 174.944 176.600 -0.084 0.000 0.899 137 E CA -0.726 55.608 56.400 -0.110 0.000 0.772 137 E CB 2.093 31.765 29.700 -0.046 0.000 1.155 137 E HN 0.434 nan 8.360 nan 0.000 0.408 138 V N 4.749 124.612 119.914 -0.084 0.000 2.387 138 V HA 0.068 4.188 4.120 0.001 0.000 0.260 138 V C 1.089 177.161 176.094 -0.037 0.000 1.054 138 V CA 0.480 62.747 62.300 -0.056 0.000 0.967 138 V CB 0.507 32.294 31.823 -0.060 0.000 1.036 138 V HN 0.925 nan 8.190 nan 0.000 0.481 139 T N 0.957 115.496 114.554 -0.026 0.000 3.069 139 T HA 0.454 4.805 4.350 0.001 0.000 0.252 139 T C 0.509 175.204 174.700 -0.009 0.000 1.053 139 T CA 0.456 62.547 62.100 -0.015 0.000 0.964 139 T CB 0.500 69.362 68.868 -0.011 0.000 1.005 139 T HN 0.730 nan 8.240 nan 0.000 0.532 140 A N 2.891 125.705 122.820 -0.010 0.000 2.375 140 A HA 0.669 4.990 4.320 0.001 0.000 0.291 140 A C -1.749 175.831 177.584 -0.007 0.000 1.160 140 A CA -1.766 50.268 52.037 -0.004 0.000 0.747 140 A CB 1.464 20.463 19.000 -0.001 0.000 1.170 140 A HN 0.013 nan 8.150 nan 0.000 0.458 141 P HA -0.205 nan 4.420 nan 0.000 0.218 141 P C 0.343 177.638 177.300 -0.009 0.000 1.146 141 P CA 1.292 64.387 63.100 -0.007 0.000 0.820 141 P CB 0.258 31.962 31.700 0.007 0.000 0.778 142 D N -0.483 119.919 120.400 0.003 0.000 2.363 142 D HA 0.056 4.696 4.640 0.001 0.000 0.220 142 D C 1.622 177.922 176.300 0.001 0.000 0.994 142 D CA 0.681 54.687 54.000 0.010 0.000 0.890 142 D CB 0.055 40.866 40.800 0.019 0.000 0.906 142 D HN 0.240 nan 8.370 nan 0.000 0.530 143 A N 0.104 122.919 122.820 -0.007 0.000 2.390 143 A HA 0.099 4.419 4.320 0.001 0.000 0.232 143 A C 1.808 179.380 177.584 -0.020 0.000 1.233 143 A CA -0.237 51.796 52.037 -0.006 0.000 0.907 143 A CB 0.119 19.118 19.000 -0.000 0.000 0.967 143 A HN 0.084 nan 8.150 nan 0.000 0.512 144 L N 0.536 121.734 121.223 -0.041 0.000 1.963 144 L HA -0.235 4.106 4.340 0.001 0.000 0.220 144 L C 2.683 179.509 176.870 -0.073 0.000 1.076 144 L CA 2.659 57.460 54.840 -0.066 0.000 0.772 144 L CB -0.881 41.119 42.059 -0.098 0.000 0.892 144 L HN 0.379 nan 8.230 nan 0.000 0.435 145 A N -0.545 122.217 122.820 -0.098 0.000 1.908 145 A HA -0.270 4.051 4.320 0.001 0.000 0.218 145 A C 2.113 179.670 177.584 -0.046 0.000 1.181 145 A CA 1.928 53.905 52.037 -0.100 0.000 0.627 145 A CB -0.840 18.091 19.000 -0.116 0.000 0.818 145 A HN 0.765 nan 8.150 nan 0.000 0.445 146 E N -0.416 119.772 120.200 -0.021 0.000 2.106 146 E HA -0.095 4.255 4.350 0.001 0.000 0.192 146 E C 1.686 178.303 176.600 0.029 0.000 0.984 146 E CA 1.348 57.750 56.400 0.004 0.000 0.806 146 E CB -0.552 29.156 29.700 0.013 0.000 0.750 146 E HN 0.261 nan 8.360 nan 0.000 0.458 147 V N 1.492 121.428 119.914 0.038 0.000 2.343 147 V HA -0.223 3.897 4.120 0.001 0.000 0.247 147 V C 2.452 178.604 176.094 0.097 0.000 1.051 147 V CA 1.439 63.796 62.300 0.095 0.000 1.036 147 V CB -0.119 31.737 31.823 0.056 0.000 0.654 147 V HN 0.213 nan 8.190 nan 0.000 0.451 148 V N -0.518 119.425 119.914 0.049 0.000 2.307 148 V HA -0.232 3.888 4.120 0.001 0.000 0.245 148 V C 2.662 178.851 176.094 0.159 0.000 1.045 148 V CA 2.264 64.617 62.300 0.088 0.000 1.024 148 V CB -0.604 31.248 31.823 0.049 0.000 0.651 148 V HN 0.626 nan 8.190 nan 0.000 0.449 149 S N 0.752 116.491 115.700 0.065 0.000 2.359 149 S HA -0.240 4.231 4.470 0.001 0.000 0.224 149 S C 1.885 176.508 174.600 0.039 0.000 1.035 149 S CA 2.014 60.239 58.200 0.043 0.000 1.018 149 S CB -0.492 62.699 63.200 -0.016 0.000 0.876 149 S HN 0.662 nan 8.310 nan 0.000 0.448 150 N N 1.712 120.394 118.700 -0.030 0.000 2.309 150 N HA 0.050 4.790 4.740 0.001 0.000 0.182 150 N C 1.800 177.016 175.510 -0.489 0.000 1.018 150 N CA 1.097 54.050 53.050 -0.162 0.000 0.876 150 N CB -0.804 37.637 38.487 -0.077 0.000 0.972 150 N HN 0.545 nan 8.380 nan 0.000 0.434 151 A N 0.492 123.042 122.820 -0.449 0.000 1.877 151 A HA -0.081 4.240 4.320 0.001 0.000 0.216 151 A C 1.946 179.275 177.584 -0.426 0.000 1.186 151 A CA 0.989 52.640 52.037 -0.643 0.000 0.620 151 A CB -0.836 18.023 19.000 -0.234 0.000 0.822 151 A HN 0.162 nan 8.150 nan 0.000 0.443 152 F N -0.452 119.368 119.950 -0.218 0.000 2.146 152 F HA -0.060 4.467 4.527 0.001 0.000 0.298 152 F C 2.552 178.273 175.800 -0.132 0.000 1.096 152 F CA 1.597 59.517 58.000 -0.133 0.000 1.275 152 F CB -0.313 38.631 39.000 -0.092 0.000 1.008 152 F HN 0.084 nan 8.300 nan 0.000 0.480 153 R N -0.026 120.484 120.500 0.018 0.000 2.083 153 R HA -0.170 4.170 4.340 0.001 0.000 0.237 153 R C 2.419 178.676 176.300 -0.071 0.000 1.137 153 R CA 1.379 57.464 56.100 -0.026 0.000 0.951 153 R CB -0.716 29.556 30.300 -0.046 0.000 0.851 153 R HN 0.287 nan 8.270 nan 0.000 0.434 154 A N 0.480 123.191 122.820 -0.183 0.000 1.933 154 A HA -0.089 4.232 4.320 0.001 0.000 0.218 154 A C 2.227 179.765 177.584 -0.077 0.000 1.175 154 A CA 1.687 53.635 52.037 -0.149 0.000 0.628 154 A CB -0.472 18.349 19.000 -0.298 0.000 0.814 154 A HN 0.449 nan 8.150 nan 0.000 0.444 155 A N -0.299 122.453 122.820 -0.113 0.000 1.930 155 A HA -0.029 4.292 4.320 0.001 0.000 0.215 155 A C 1.845 179.419 177.584 -0.016 0.000 1.176 155 A CA 1.335 53.334 52.037 -0.063 0.000 0.632 155 A CB -0.287 18.635 19.000 -0.131 0.000 0.819 155 A HN 0.607 nan 8.150 nan 0.000 0.445 156 E N -0.277 119.922 120.200 -0.001 0.000 2.318 156 E HA 0.012 4.362 4.350 0.001 0.000 0.193 156 E C 0.460 177.075 176.600 0.026 0.000 0.998 156 E CA 0.011 56.428 56.400 0.028 0.000 0.859 156 E CB 0.097 29.833 29.700 0.060 0.000 0.812 156 E HN 0.686 nan 8.360 nan 0.000 0.492 157 Q N 0.022 119.834 119.800 0.020 0.000 2.256 157 Q HA 0.373 4.713 4.340 0.001 0.000 0.232 157 Q C 0.778 176.800 176.000 0.037 0.000 0.965 157 Q CA -0.008 55.810 55.803 0.025 0.000 0.908 157 Q CB 1.257 30.006 28.738 0.019 0.000 1.209 157 Q HN 0.187 nan 8.270 nan 0.000 0.489 158 G N 1.103 109.928 108.800 0.042 0.000 2.596 158 G HA2 -0.360 3.601 3.960 0.001 0.000 0.295 158 G HA3 -0.360 3.601 3.960 0.001 0.000 0.295 158 G C -0.569 174.370 174.900 0.064 0.000 1.240 158 G CA -0.078 45.057 45.100 0.059 0.000 0.985 158 G HN 0.618 nan 8.290 nan 0.000 0.555 159 R N 1.796 122.348 120.500 0.088 0.000 2.220 159 R HA 0.388 4.729 4.340 0.001 0.000 0.340 159 R C -2.221 174.115 176.300 0.061 0.000 1.076 159 R CA -1.341 54.806 56.100 0.079 0.000 0.920 159 R CB 0.851 31.215 30.300 0.107 0.000 1.062 159 R HN 0.260 nan 8.270 nan 0.000 0.469 160 P HA -0.006 nan 4.420 nan 0.000 0.269 160 P C 0.029 177.351 177.300 0.038 0.000 1.211 160 P CA 0.161 63.282 63.100 0.035 0.000 0.781 160 P CB 0.765 32.482 31.700 0.028 0.000 0.877 161 G N -0.536 108.285 108.800 0.035 0.000 2.561 161 G HA2 0.503 4.463 3.960 0.001 0.000 0.310 161 G HA3 0.503 4.463 3.960 0.001 0.000 0.310 161 G C -1.307 173.620 174.900 0.045 0.000 1.292 161 G CA -0.469 44.659 45.100 0.046 0.000 0.811 161 G HN 0.536 nan 8.290 nan 0.000 0.482 162 S N -1.068 114.673 115.700 0.069 0.000 2.578 162 S HA 0.835 5.306 4.470 0.001 0.000 0.283 162 S C -0.062 174.604 174.600 0.109 0.000 1.195 162 S CA 0.154 58.401 58.200 0.078 0.000 1.050 162 S CB 1.740 65.005 63.200 0.110 0.000 1.012 162 S HN 2.009 nan 8.310 nan 0.000 0.511 163 A N 2.054 124.926 122.820 0.088 0.000 2.393 163 A HA 0.755 5.076 4.320 0.001 0.000 0.306 163 A C -1.295 176.387 177.584 0.163 0.000 1.050 163 A CA -0.694 51.443 52.037 0.167 0.000 0.724 163 A CB 0.991 20.024 19.000 0.054 0.000 1.248 163 A HN 0.958 nan 8.150 nan 0.000 0.424 164 F N 2.839 122.797 119.950 0.014 0.000 2.482 164 F HA 0.668 5.195 4.527 0.000 0.000 0.331 164 F C -1.065 174.646 175.800 -0.148 0.000 1.115 164 F CA -0.798 57.083 58.000 -0.199 0.000 0.955 164 F CB 1.929 40.615 39.000 -0.525 0.000 1.136 164 F HN 0.331 nan 8.300 nan 0.000 0.452 165 V N 5.186 124.513 119.914 -0.979 0.000 2.407 165 V HA 0.335 4.456 4.120 0.001 0.000 0.291 165 V C -0.339 175.106 176.094 -1.083 0.000 1.018 165 V CA -0.748 61.095 62.300 -0.761 0.000 0.842 165 V CB 1.411 33.046 31.823 -0.314 0.000 0.996 165 V HN 0.826 nan 8.190 nan 0.000 0.426 166 S N 6.076 121.260 115.700 -0.859 0.000 2.489 166 S HA 0.630 5.101 4.470 0.001 0.000 0.277 166 S C -0.541 173.909 174.600 -0.250 0.000 1.230 166 S CA -0.450 57.449 58.200 -0.501 0.000 1.053 166 S CB 0.132 63.233 63.200 -0.166 0.000 0.955 166 S HN 0.577 nan 8.310 nan 0.000 0.488 167 L N 7.248 128.366 121.223 -0.175 0.000 2.337 167 L HA 0.403 4.743 4.340 0.001 0.000 0.269 167 L C -2.357 174.485 176.870 -0.047 0.000 1.018 167 L CA -2.212 52.566 54.840 -0.103 0.000 0.876 167 L CB 1.494 43.493 42.059 -0.101 0.000 1.236 167 L HN 0.446 nan 8.230 nan 0.000 0.436 168 P HA -0.055 nan 4.420 nan 0.000 0.265 168 P C 0.449 177.749 177.300 -0.001 0.000 1.193 168 P CA 0.146 63.241 63.100 -0.008 0.000 0.765 168 P CB 0.732 32.428 31.700 -0.007 0.000 0.823 169 Q N 3.587 123.394 119.800 0.010 0.000 2.077 169 Q HA -0.289 4.052 4.340 0.001 0.000 0.206 169 Q C 1.397 177.408 176.000 0.019 0.000 0.989 169 Q CA 2.276 58.089 55.803 0.016 0.000 0.853 169 Q CB -0.301 28.449 28.738 0.019 0.000 0.907 169 Q HN 0.543 nan 8.270 nan 0.000 0.418 170 D N -0.641 119.770 120.400 0.019 0.000 2.178 170 D HA -0.143 4.497 4.640 0.001 0.000 0.201 170 D C 1.839 178.156 176.300 0.028 0.000 0.980 170 D CA 1.254 55.269 54.000 0.026 0.000 0.842 170 D CB -0.351 40.462 40.800 0.022 0.000 0.948 170 D HN 0.281 nan 8.370 nan 0.000 0.472 171 V N 1.360 121.283 119.914 0.015 0.000 2.453 171 V HA -0.193 3.927 4.120 0.001 0.000 0.247 171 V C 2.873 178.975 176.094 0.013 0.000 1.048 171 V CA 1.675 63.980 62.300 0.008 0.000 1.049 171 V CB -0.252 31.564 31.823 -0.011 0.000 0.672 171 V HN 0.334 nan 8.190 nan 0.000 0.457 172 V N -2.502 117.419 119.914 0.011 0.000 3.052 172 V HA 0.009 4.130 4.120 0.001 0.000 0.254 172 V C 1.790 177.919 176.094 0.059 0.000 1.100 172 V CA 1.525 63.834 62.300 0.015 0.000 1.112 172 V CB -0.518 31.301 31.823 -0.007 0.000 0.738 172 V HN 0.399 nan 8.190 nan 0.000 0.469 173 D N 1.670 122.111 120.400 0.068 0.000 2.240 173 D HA 0.179 4.820 4.640 0.001 0.000 0.206 173 D C 1.397 177.836 176.300 0.232 0.000 0.963 173 D CA 1.258 55.327 54.000 0.115 0.000 0.863 173 D CB -0.155 40.684 40.800 0.065 0.000 0.973 173 D HN 0.605 nan 8.370 nan 0.000 0.501 174 G N 1.449 110.329 108.800 0.134 0.000 2.537 174 G HA2 0.376 4.337 3.960 0.001 0.000 0.273 174 G HA3 0.376 4.337 3.960 0.001 0.000 0.273 174 G C -2.408 172.541 174.900 0.082 0.000 1.189 174 G CA -0.946 44.215 45.100 0.103 0.000 0.881 174 G HN -0.071 nan 8.290 nan 0.000 0.535 175 P HA 0.252 nan 4.420 nan 0.000 0.270 175 P C -0.630 176.711 177.300 0.068 0.000 1.223 175 P CA -0.065 63.052 63.100 0.028 0.000 0.785 175 P CB 1.718 33.417 31.700 -0.001 0.000 0.923 176 V N 0.893 120.882 119.914 0.125 0.000 3.048 176 V HA 0.479 4.600 4.120 0.001 0.000 0.303 176 V C -1.096 175.149 176.094 0.252 0.000 1.214 176 V CA -0.559 61.823 62.300 0.137 0.000 0.984 176 V CB 2.488 34.353 31.823 0.071 0.000 1.054 176 V HN 0.782 nan 8.190 nan 0.000 0.430 177 S N 3.796 119.608 115.700 0.186 0.000 2.498 177 S HA 0.998 5.468 4.470 0.001 0.000 0.317 177 S C -0.189 174.535 174.600 0.206 0.000 1.090 177 S CA 0.089 58.411 58.200 0.204 0.000 1.089 177 S CB 1.220 64.480 63.200 0.100 0.000 0.997 177 S HN 2.040 nan 8.310 nan 0.000 0.470 178 G N 1.921 110.915 108.800 0.325 0.000 2.349 178 G HA2 0.542 4.502 3.960 0.001 0.000 0.294 178 G HA3 0.542 4.502 3.960 0.001 0.000 0.294 178 G C -2.084 173.050 174.900 0.390 0.000 1.380 178 G CA -1.075 44.172 45.100 0.244 0.000 0.811 178 G HN 0.910 nan 8.290 nan 0.000 0.519 179 K N -0.935 119.602 120.400 0.229 0.000 2.385 179 K HA 0.751 5.072 4.320 0.001 0.000 0.248 179 K C -0.837 175.849 176.600 0.143 0.000 0.955 179 K CA -0.951 55.479 56.287 0.240 0.000 0.816 179 K CB 2.688 35.268 32.500 0.134 0.000 1.250 179 K HN 0.319 nan 8.250 nan 0.000 0.434 180 V N 3.491 123.503 119.914 0.162 0.000 2.421 180 V HA 0.030 4.151 4.120 0.001 0.000 0.271 180 V C 0.308 176.412 176.094 0.017 0.000 1.031 180 V CA -0.254 62.075 62.300 0.049 0.000 1.032 180 V CB -0.213 31.652 31.823 0.070 0.000 1.009 180 V HN 0.574 nan 8.190 nan 0.000 0.477 181 L N 9.248 130.461 121.223 -0.016 0.000 2.500 181 L HA 0.221 4.562 4.340 0.001 0.000 0.272 181 L C -1.531 175.319 176.870 -0.035 0.000 1.149 181 L CA -1.386 53.443 54.840 -0.018 0.000 0.897 181 L CB 0.505 42.549 42.059 -0.024 0.000 1.178 181 L HN 0.448 nan 8.230 nan 0.000 0.473 182 P HA -0.022 nan 4.420 nan 0.000 0.265 182 P C -0.610 176.661 177.300 -0.049 0.000 1.187 182 P CA -0.351 62.729 63.100 -0.034 0.000 0.766 182 P CB 0.801 32.490 31.700 -0.019 0.000 0.820 183 A N 2.853 125.633 122.820 -0.066 0.000 2.410 183 A HA 0.239 4.560 4.320 0.001 0.000 0.292 183 A C 1.567 179.123 177.584 -0.046 0.000 1.232 183 A CA 0.030 52.021 52.037 -0.077 0.000 0.893 183 A CB -0.581 18.353 19.000 -0.110 0.000 1.131 183 A HN 0.574 nan 8.150 nan 0.000 0.530 184 S N 2.820 118.501 115.700 -0.033 0.000 2.461 184 S HA 0.365 4.835 4.470 0.001 0.000 0.228 184 S C 1.180 175.772 174.600 -0.015 0.000 1.005 184 S CA 0.560 58.748 58.200 -0.019 0.000 0.942 184 S CB -0.840 62.353 63.200 -0.012 0.000 0.776 184 S HN 2.482 nan 8.310 nan 0.000 0.514 185 G N 1.174 109.966 108.800 -0.015 0.000 2.825 185 G HA2 0.197 4.157 3.960 0.001 0.000 0.684 185 G HA3 0.197 4.157 3.960 0.001 0.000 0.684 185 G C -0.026 174.876 174.900 0.004 0.000 1.528 185 G CA -0.591 44.506 45.100 -0.004 0.000 0.963 185 G HN 1.455 nan 8.290 nan 0.000 0.577 186 A N 2.495 125.322 122.820 0.011 0.000 2.553 186 A HA 0.501 4.822 4.320 0.001 0.000 0.258 186 A C -0.838 176.751 177.584 0.008 0.000 1.069 186 A CA 0.539 52.584 52.037 0.012 0.000 0.767 186 A CB -0.473 18.537 19.000 0.016 0.000 0.997 186 A HN 0.768 nan 8.150 nan 0.000 0.512 187 P HA 0.049 nan 4.420 nan 0.000 0.266 187 P C -0.415 176.889 177.300 0.007 0.000 1.193 187 P CA 0.191 63.295 63.100 0.006 0.000 0.770 187 P CB 0.404 32.109 31.700 0.007 0.000 0.836 188 Q N 2.504 122.307 119.800 0.005 0.000 2.390 188 Q HA 0.287 4.627 4.340 0.001 0.000 0.249 188 Q C 0.165 176.168 176.000 0.006 0.000 0.996 188 Q CA 0.030 55.836 55.803 0.004 0.000 0.899 188 Q CB 0.786 29.525 28.738 0.002 0.000 1.216 188 Q HN 0.526 nan 8.270 nan 0.000 0.465 189 M N 0.480 120.085 119.600 0.008 0.000 2.202 189 M HA 0.308 4.789 4.480 0.001 0.000 0.316 189 M C 0.897 177.201 176.300 0.007 0.000 1.138 189 M CA -0.095 55.211 55.300 0.010 0.000 1.151 189 M CB 0.673 33.281 32.600 0.014 0.000 1.422 189 M HN 0.596 nan 8.290 nan 0.000 0.471 190 G N 0.263 109.068 108.800 0.008 0.000 2.477 190 G HA2 0.594 4.555 3.960 0.001 0.000 0.304 190 G HA3 0.594 4.555 3.960 0.001 0.000 0.304 190 G C -0.578 174.327 174.900 0.008 0.000 1.175 190 G CA -0.692 44.412 45.100 0.007 0.000 0.907 190 G HN 0.891 nan 8.290 nan 0.000 0.509 191 A N -0.131 122.692 122.820 0.006 0.000 2.448 191 A HA 0.593 4.914 4.320 0.001 0.000 0.239 191 A C 1.188 178.779 177.584 0.012 0.000 1.080 191 A CA 0.432 52.472 52.037 0.006 0.000 0.779 191 A CB -0.231 18.771 19.000 0.003 0.000 1.026 191 A HN 1.953 nan 8.150 nan 0.000 0.499 192 A N 2.070 124.899 122.820 0.015 0.000 2.492 192 A HA 0.473 4.793 4.320 0.001 0.000 0.236 192 A C -1.783 175.812 177.584 0.018 0.000 1.078 192 A CA -0.585 51.465 52.037 0.021 0.000 0.773 192 A CB -0.715 18.301 19.000 0.028 0.000 1.023 192 A HN 0.739 nan 8.150 nan 0.000 0.504 193 P HA -0.014 nan 4.420 nan 0.000 0.266 193 P C -0.163 177.147 177.300 0.016 0.000 1.195 193 P CA -0.013 63.097 63.100 0.016 0.000 0.768 193 P CB 0.532 32.242 31.700 0.017 0.000 0.838 194 D N 1.918 122.326 120.400 0.013 0.000 2.133 194 D HA -0.181 4.460 4.640 0.001 0.000 0.195 194 D C 1.169 177.478 176.300 0.015 0.000 0.997 194 D CA 1.505 55.513 54.000 0.013 0.000 0.840 194 D CB -0.239 40.567 40.800 0.010 0.000 0.947 194 D HN 0.463 nan 8.370 nan 0.000 0.452 195 D N 0.554 120.963 120.400 0.014 0.000 2.178 195 D HA -0.087 4.554 4.640 0.001 0.000 0.201 195 D C 2.023 178.334 176.300 0.019 0.000 0.980 195 D CA 0.923 54.932 54.000 0.015 0.000 0.842 195 D CB -0.115 40.693 40.800 0.013 0.000 0.948 195 D HN 0.160 nan 8.370 nan 0.000 0.472 196 A N 0.691 123.523 122.820 0.021 0.000 1.929 196 A HA -0.058 4.263 4.320 0.001 0.000 0.216 196 A C 2.336 179.938 177.584 0.030 0.000 1.176 196 A CA 0.545 52.598 52.037 0.027 0.000 0.628 196 A CB -0.487 18.532 19.000 0.031 0.000 0.816 196 A HN 0.151 nan 8.150 nan 0.000 0.444 197 I N -0.127 120.460 120.570 0.027 0.000 2.315 197 I HA -0.194 3.976 4.170 0.001 0.000 0.248 197 I C 1.690 177.824 176.117 0.029 0.000 1.117 197 I CA 1.217 62.535 61.300 0.030 0.000 1.404 197 I CB -0.441 37.573 38.000 0.024 0.000 1.071 197 I HN 0.262 nan 8.210 nan 0.000 0.419 198 D N 0.540 120.954 120.400 0.023 0.000 2.117 198 D HA -0.243 4.398 4.640 0.001 0.000 0.197 198 D C 2.051 178.365 176.300 0.023 0.000 0.987 198 D CA 1.200 55.212 54.000 0.020 0.000 0.829 198 D CB -0.259 40.550 40.800 0.016 0.000 0.961 198 D HN 0.435 nan 8.370 nan 0.000 0.460 199 Q N 0.752 120.566 119.800 0.024 0.000 2.096 199 Q HA -0.136 4.205 4.340 0.001 0.000 0.204 199 Q C 2.147 178.164 176.000 0.029 0.000 0.982 199 Q CA 1.225 57.043 55.803 0.024 0.000 0.850 199 Q CB 0.170 28.923 28.738 0.024 0.000 0.901 199 Q HN 0.080 nan 8.270 nan 0.000 0.422 200 V N 0.881 120.817 119.914 0.037 0.000 2.379 200 V HA -0.202 3.919 4.120 0.001 0.000 0.245 200 V C 2.391 178.512 176.094 0.044 0.000 1.044 200 V CA 1.608 63.936 62.300 0.046 0.000 1.036 200 V CB -1.013 30.847 31.823 0.062 0.000 0.664 200 V HN 0.512 nan 8.190 nan 0.000 0.453 201 A N -0.149 122.696 122.820 0.042 0.000 1.978 201 A HA -0.278 4.043 4.320 0.001 0.000 0.220 201 A C 2.335 179.937 177.584 0.030 0.000 1.170 201 A CA 2.245 54.306 52.037 0.039 0.000 0.636 201 A CB -0.452 18.567 19.000 0.032 0.000 0.810 201 A HN 0.552 nan 8.150 nan 0.000 0.448 202 K N -0.350 120.066 120.400 0.026 0.000 2.116 202 K HA 0.050 4.371 4.320 0.001 0.000 0.203 202 K C 1.788 178.400 176.600 0.020 0.000 1.052 202 K CA 0.886 57.186 56.287 0.022 0.000 0.952 202 K CB -0.243 32.268 32.500 0.020 0.000 0.729 202 K HN 0.470 nan 8.250 nan 0.000 0.446 203 L N 0.936 122.171 121.223 0.020 0.000 2.093 203 L HA -0.134 4.207 4.340 0.001 0.000 0.208 203 L C 2.307 179.181 176.870 0.007 0.000 1.085 203 L CA 0.929 55.777 54.840 0.014 0.000 0.755 203 L CB -0.280 41.789 42.059 0.018 0.000 0.904 203 L HN 0.215 nan 8.230 nan 0.000 0.435 204 I N -0.224 120.351 120.570 0.008 0.000 2.493 204 I HA -0.253 3.918 4.170 0.001 0.000 0.254 204 I C 2.694 178.814 176.117 0.005 0.000 1.160 204 I CA 0.939 62.235 61.300 -0.007 0.000 1.445 204 I CB -0.343 37.658 38.000 0.002 0.000 1.086 204 I HN 0.213 nan 8.210 nan 0.000 0.433 205 A N 0.337 123.168 122.820 0.018 0.000 1.854 205 A HA -0.169 4.152 4.320 0.001 0.000 0.214 205 A C 2.321 179.916 177.584 0.019 0.000 1.192 205 A CA 1.584 53.638 52.037 0.028 0.000 0.611 205 A CB -0.983 18.037 19.000 0.034 0.000 0.832 205 A HN 0.442 nan 8.150 nan 0.000 0.442 206 Q N -0.561 119.247 119.800 0.014 0.000 2.344 206 Q HA 0.613 4.954 4.340 0.001 0.000 0.212 206 Q C 0.443 176.444 176.000 0.002 0.000 0.943 206 Q CA 0.683 56.491 55.803 0.009 0.000 0.955 206 Q CB -1.327 27.416 28.738 0.009 0.000 1.000 206 Q HN 1.144 nan 8.270 nan 0.000 0.488 207 A N -0.236 122.583 122.820 -0.002 0.000 2.342 207 A HA 0.677 4.998 4.320 0.001 0.000 0.323 207 A C 0.488 178.062 177.584 -0.015 0.000 1.125 207 A CA -0.464 51.566 52.037 -0.012 0.000 0.785 207 A CB 1.235 20.219 19.000 -0.026 0.000 1.221 207 A HN 0.301 nan 8.150 nan 0.000 0.463 208 K N 0.718 121.107 120.400 -0.017 0.000 2.350 208 K HA 0.149 4.470 4.320 0.001 0.000 0.196 208 K C -0.217 176.366 176.600 -0.029 0.000 1.084 208 K CA 0.306 56.582 56.287 -0.019 0.000 0.967 208 K CB 0.400 32.892 32.500 -0.013 0.000 0.950 208 K HN 0.585 nan 8.250 nan 0.000 0.512 209 N N 2.186 120.867 118.700 -0.031 0.000 2.813 209 N HA 0.198 4.939 4.740 0.001 0.000 0.282 209 N C -2.861 172.615 175.510 -0.056 0.000 1.748 209 N CA -0.965 52.062 53.050 -0.039 0.000 0.860 209 N CB 1.640 40.112 38.487 -0.024 0.000 1.204 209 N HN 0.090 nan 8.380 nan 0.000 0.490 210 P HA 0.443 nan 4.420 nan 0.000 0.286 210 P C -0.368 176.817 177.300 -0.191 0.000 1.261 210 P CA -0.483 62.531 63.100 -0.144 0.000 0.821 210 P CB 2.186 33.778 31.700 -0.180 0.000 1.013 211 I N 1.687 122.120 120.570 -0.228 0.000 2.775 211 I HA 0.390 4.561 4.170 0.001 0.000 0.295 211 I C -1.438 174.551 176.117 -0.214 0.000 1.287 211 I CA -1.273 59.902 61.300 -0.209 0.000 1.029 211 I CB 1.768 39.707 38.000 -0.103 0.000 1.282 211 I HN 0.151 nan 8.210 nan 0.000 0.426 212 F N 7.167 127.093 119.950 -0.041 0.000 2.411 212 F HA 0.399 4.926 4.527 0.001 0.000 0.350 212 F C -0.300 175.423 175.800 -0.128 0.000 1.114 212 F CA -0.804 57.155 58.000 -0.068 0.000 1.135 212 F CB 1.571 40.540 39.000 -0.052 0.000 1.120 212 F HN 0.226 nan 8.300 nan 0.000 0.495 213 L N 6.451 127.683 121.223 0.015 0.000 2.277 213 L HA 0.468 4.809 4.340 0.001 0.000 0.284 213 L C -1.022 175.768 176.870 -0.134 0.000 1.028 213 L CA -0.502 54.213 54.840 -0.209 0.000 0.835 213 L CB 0.527 42.255 42.059 -0.552 0.000 1.215 213 L HN 0.446 nan 8.230 nan 0.000 0.425 214 L N 5.087 126.263 121.223 -0.079 0.000 2.312 214 L HA 0.706 5.046 4.340 0.001 0.000 0.281 214 L C 0.850 177.740 176.870 0.034 0.000 1.070 214 L CA -0.351 54.473 54.840 -0.027 0.000 0.805 214 L CB 1.163 43.206 42.059 -0.026 0.000 1.174 214 L HN 0.750 nan 8.230 nan 0.000 0.434 215 G N 1.005 109.871 108.800 0.111 0.000 2.932 215 G HA2 0.395 4.356 3.960 0.001 0.000 0.283 215 G HA3 0.395 4.356 3.960 0.001 0.000 0.283 215 G C 0.403 175.359 174.900 0.094 0.000 1.336 215 G CA -0.741 44.478 45.100 0.199 0.000 1.056 215 G HN 0.547 nan 8.290 nan 0.000 0.522 216 L N -0.062 121.209 121.223 0.080 0.000 2.011 216 L HA -0.207 4.134 4.340 0.001 0.000 0.225 216 L C 2.628 179.512 176.870 0.023 0.000 1.084 216 L CA 2.396 57.260 54.840 0.041 0.000 0.791 216 L CB -0.378 41.700 42.059 0.032 0.000 0.898 216 L HN 0.410 nan 8.230 nan 0.000 0.440 217 M N -0.630 118.988 119.600 0.029 0.000 2.279 217 M HA -0.105 4.376 4.480 0.001 0.000 0.264 217 M C 2.373 178.667 176.300 -0.010 0.000 1.062 217 M CA 1.613 56.921 55.300 0.014 0.000 1.099 217 M CB -1.934 30.681 32.600 0.025 0.000 1.394 217 M HN 0.525 nan 8.290 nan 0.000 0.426 218 A N 0.322 123.133 122.820 -0.015 0.000 2.070 218 A HA -0.096 4.225 4.320 0.001 0.000 0.220 218 A C 2.305 179.855 177.584 -0.056 0.000 1.159 218 A CA 1.903 53.909 52.037 -0.052 0.000 0.656 218 A CB -0.733 18.228 19.000 -0.065 0.000 0.800 218 A HN 0.614 nan 8.150 nan 0.000 0.453 219 S N -0.958 114.720 115.700 -0.037 0.000 2.593 219 S HA 0.084 4.555 4.470 0.001 0.000 0.217 219 S C 0.613 175.189 174.600 -0.039 0.000 0.966 219 S CA -0.355 57.820 58.200 -0.042 0.000 0.914 219 S CB -0.124 63.056 63.200 -0.033 0.000 0.776 219 S HN 0.473 nan 8.310 nan 0.000 0.523 220 Q N 2.496 122.277 119.800 -0.031 0.000 2.361 220 Q HA 0.187 4.528 4.340 0.001 0.000 0.276 220 Q C -1.482 174.499 176.000 -0.032 0.000 1.022 220 Q CA -1.799 53.988 55.803 -0.026 0.000 0.898 220 Q CB 0.333 29.061 28.738 -0.016 0.000 1.246 220 Q HN 0.222 nan 8.270 nan 0.000 0.410 221 P HA -0.189 nan 4.420 nan 0.000 0.218 221 P C 0.095 177.378 177.300 -0.029 0.000 1.148 221 P CA 1.374 64.457 63.100 -0.029 0.000 0.822 221 P CB 0.421 32.108 31.700 -0.022 0.000 0.784 222 E N -0.136 120.049 120.200 -0.024 0.000 2.338 222 E HA -0.088 4.263 4.350 0.001 0.000 0.197 222 E C 1.303 177.884 176.600 -0.032 0.000 1.007 222 E CA 0.729 57.115 56.400 -0.024 0.000 0.849 222 E CB -0.741 28.949 29.700 -0.017 0.000 0.774 222 E HN 0.372 nan 8.360 nan 0.000 0.506 223 N N -0.624 118.051 118.700 -0.041 0.000 2.205 223 N HA 0.077 4.818 4.740 0.001 0.000 0.201 223 N C 1.051 176.519 175.510 -0.070 0.000 1.128 223 N CA 0.197 53.213 53.050 -0.056 0.000 0.867 223 N CB 0.602 39.052 38.487 -0.061 0.000 0.996 223 N HN 0.001 nan 8.380 nan 0.000 0.503 224 S N 1.685 117.349 115.700 -0.061 0.000 2.348 224 S HA -0.077 4.394 4.470 0.001 0.000 0.221 224 S C 1.787 176.345 174.600 -0.070 0.000 1.033 224 S CA 1.299 59.459 58.200 -0.068 0.000 1.010 224 S CB 0.157 63.326 63.200 -0.053 0.000 0.891 224 S HN 0.228 nan 8.310 nan 0.000 0.442 225 K N 0.752 121.119 120.400 -0.054 0.000 2.026 225 K HA -0.014 4.307 4.320 0.001 0.000 0.208 225 K C 2.422 178.987 176.600 -0.059 0.000 1.048 225 K CA 1.217 57.474 56.287 -0.049 0.000 0.929 225 K CB -0.424 32.055 32.500 -0.036 0.000 0.713 225 K HN 0.426 nan 8.250 nan 0.000 0.439 226 A N 1.384 124.166 122.820 -0.063 0.000 1.933 226 A HA -0.161 4.159 4.320 0.001 0.000 0.218 226 A C 2.101 179.621 177.584 -0.106 0.000 1.175 226 A CA 1.184 53.179 52.037 -0.071 0.000 0.628 226 A CB -0.484 18.477 19.000 -0.065 0.000 0.814 226 A HN 0.235 nan 8.150 nan 0.000 0.444 227 L N -0.442 120.702 121.223 -0.131 0.000 2.027 227 L HA -0.115 4.226 4.340 0.001 0.000 0.206 227 L C 2.441 179.195 176.870 -0.193 0.000 1.074 227 L CA 1.761 56.483 54.840 -0.196 0.000 0.745 227 L CB -0.495 41.447 42.059 -0.195 0.000 0.898 227 L HN 0.220 nan 8.230 nan 0.000 0.433 228 R N -0.223 120.192 120.500 -0.141 0.000 2.091 228 R HA -0.179 4.162 4.340 0.001 0.000 0.238 228 R C 2.376 178.630 176.300 -0.078 0.000 1.136 228 R CA 1.685 57.717 56.100 -0.115 0.000 0.959 228 R CB -0.973 29.285 30.300 -0.071 0.000 0.856 228 R HN 0.457 nan 8.270 nan 0.000 0.437 229 R N 0.728 121.190 120.500 -0.063 0.000 2.081 229 R HA -0.129 4.212 4.340 0.001 0.000 0.235 229 R C 2.217 178.502 176.300 -0.025 0.000 1.131 229 R CA 1.273 57.352 56.100 -0.035 0.000 0.960 229 R CB -0.291 29.989 30.300 -0.033 0.000 0.856 229 R HN 0.116 nan 8.270 nan 0.000 0.436 230 L N 0.799 121.985 121.223 -0.060 0.000 2.109 230 L HA -0.044 4.297 4.340 0.001 0.000 0.207 230 L C 1.915 178.800 176.870 0.024 0.000 1.086 230 L CA 1.499 56.319 54.840 -0.033 0.000 0.760 230 L CB -0.257 41.726 42.059 -0.127 0.000 0.910 230 L HN 0.222 nan 8.230 nan 0.000 0.437 231 L N -0.267 120.912 121.223 -0.074 0.000 2.056 231 L HA -0.139 4.202 4.340 0.001 0.000 0.207 231 L C 2.969 179.935 176.870 0.161 0.000 1.078 231 L CA 1.539 56.341 54.840 -0.064 0.000 0.749 231 L CB -1.291 40.465 42.059 -0.506 0.000 0.901 231 L HN 0.431 nan 8.230 nan 0.000 0.433 232 E N 0.263 120.522 120.200 0.099 0.000 2.110 232 E HA -0.237 4.114 4.350 0.001 0.000 0.193 232 E C 2.142 178.806 176.600 0.108 0.000 0.988 232 E CA 1.861 58.335 56.400 0.124 0.000 0.804 232 E CB -1.158 28.577 29.700 0.058 0.000 0.745 232 E HN 0.664 nan 8.360 nan 0.000 0.458 233 T N -2.084 112.528 114.554 0.097 0.000 3.014 233 T HA -0.049 4.302 4.350 0.001 0.000 0.263 233 T C 2.263 177.044 174.700 0.135 0.000 1.078 233 T CA 1.614 63.767 62.100 0.088 0.000 1.135 233 T CB -0.012 68.889 68.868 0.055 0.000 0.895 233 T HN 0.554 nan 8.240 nan 0.000 0.480 234 S N 0.029 115.847 115.700 0.196 0.000 2.483 234 S HA 0.097 4.567 4.470 0.001 0.000 0.221 234 S C 1.132 175.923 174.600 0.319 0.000 1.030 234 S CA 0.526 58.862 58.200 0.226 0.000 0.925 234 S CB -0.985 62.365 63.200 0.251 0.000 0.795 234 S HN 0.747 nan 8.310 nan 0.000 0.511 235 H N 0.427 119.659 119.070 0.270 0.000 2.822 235 H HA -0.129 4.427 4.556 0.001 0.000 0.295 235 H C -0.762 174.769 175.328 0.338 0.000 1.151 235 H CA 0.376 56.634 56.048 0.350 0.000 1.151 235 H CB -1.433 28.436 29.762 0.179 0.000 1.343 235 H HN 0.516 nan 8.280 nan 0.000 0.382 236 I N 1.472 122.254 120.570 0.353 0.000 2.634 236 I HA 0.083 4.254 4.170 0.001 0.000 0.284 236 I C -1.748 174.531 176.117 0.270 0.000 1.124 236 I CA -1.629 59.735 61.300 0.106 0.000 1.417 236 I CB 0.749 38.591 38.000 -0.264 0.000 1.396 236 I HN 0.043 nan 8.210 nan 0.000 0.571 237 P HA 0.026 nan 4.420 nan 0.000 0.268 237 P C -1.136 176.322 177.300 0.265 0.000 1.208 237 P CA 0.004 63.219 63.100 0.192 0.000 0.777 237 P CB 0.519 32.225 31.700 0.011 0.000 0.875 238 V N -0.969 119.152 119.914 0.345 0.000 2.760 238 V HA 0.818 4.939 4.120 0.001 0.000 0.309 238 V C -0.604 175.559 176.094 0.115 0.000 1.077 238 V CA -0.448 62.018 62.300 0.277 0.000 0.910 238 V CB 1.873 33.880 31.823 0.307 0.000 1.008 238 V HN 0.509 nan 8.190 nan 0.000 0.424 239 T N 2.526 117.082 114.554 0.004 0.000 2.906 239 T HA 0.811 5.162 4.350 0.001 0.000 0.295 239 T C -0.511 174.140 174.700 -0.082 0.000 1.061 239 T CA -0.116 61.892 62.100 -0.153 0.000 1.000 239 T CB 1.940 70.678 68.868 -0.217 0.000 1.103 239 T HN 1.126 nan 8.240 nan 0.000 0.486 240 S N 1.268 116.907 115.700 -0.101 0.000 2.595 240 S HA 0.684 5.155 4.470 0.001 0.000 0.281 240 S C -0.169 174.320 174.600 -0.186 0.000 1.117 240 S CA -0.967 57.187 58.200 -0.077 0.000 0.873 240 S CB 1.771 64.999 63.200 0.045 0.000 1.108 240 S HN 1.017 nan 8.310 nan 0.000 0.477 241 T N -0.631 113.862 114.554 -0.102 0.000 2.816 241 T HA 0.380 4.731 4.350 0.001 0.000 0.282 241 T C 0.485 175.117 174.700 -0.113 0.000 0.993 241 T CA -0.297 61.760 62.100 -0.072 0.000 0.994 241 T CB 0.069 69.019 68.868 0.136 0.000 1.025 241 T HN 0.494 nan 8.240 nan 0.000 0.529 242 Y N 0.180 120.491 120.300 0.018 0.000 2.352 242 Y HA -0.052 4.498 4.550 0.001 0.000 0.292 242 Y C 3.028 178.949 175.900 0.036 0.000 1.136 242 Y CA 1.091 59.212 58.100 0.035 0.000 1.227 242 Y CB -0.386 38.099 38.460 0.041 0.000 0.991 242 Y HN 0.685 nan 8.280 nan 0.000 0.545 243 Q N -0.734 119.160 119.800 0.157 0.000 2.226 243 Q HA -0.110 4.231 4.340 0.001 0.000 0.204 243 Q C 1.645 177.674 176.000 0.048 0.000 0.975 243 Q CA 1.144 57.002 55.803 0.092 0.000 0.866 243 Q CB -0.109 28.676 28.738 0.079 0.000 0.915 243 Q HN 0.439 nan 8.270 nan 0.000 0.440 244 A N -0.268 122.575 122.820 0.038 0.000 2.507 244 A HA 0.451 4.771 4.320 0.001 0.000 0.270 244 A C 1.650 179.229 177.584 -0.008 0.000 1.318 244 A CA 0.475 52.517 52.037 0.009 0.000 0.924 244 A CB -0.010 18.999 19.000 0.015 0.000 1.061 244 A HN 0.293 nan 8.150 nan 0.000 0.516 245 A N -0.233 122.584 122.820 -0.004 0.000 1.986 245 A HA 0.029 4.349 4.320 0.001 0.000 0.220 245 A C 2.005 179.581 177.584 -0.014 0.000 1.171 245 A CA 1.859 53.889 52.037 -0.011 0.000 0.640 245 A CB -0.592 18.440 19.000 0.053 0.000 0.811 245 A HN 0.852 nan 8.150 nan 0.000 0.451 246 G N -1.870 106.914 108.800 -0.027 0.000 3.088 246 G HA2 0.342 4.303 3.960 0.001 0.000 0.217 246 G HA3 0.342 4.303 3.960 0.001 0.000 0.217 246 G C 1.310 176.164 174.900 -0.075 0.000 1.159 246 G CA 0.928 45.998 45.100 -0.050 0.000 0.760 246 G HN 0.660 nan 8.290 nan 0.000 0.550 247 A N -0.165 122.612 122.820 -0.073 0.000 1.877 247 A HA 0.350 4.671 4.320 0.001 0.000 0.216 247 A C 0.843 178.346 177.584 -0.136 0.000 1.186 247 A CA 1.259 53.242 52.037 -0.089 0.000 0.620 247 A CB 0.014 18.971 19.000 -0.071 0.000 0.822 247 A HN 0.358 nan 8.150 nan 0.000 0.443 248 V N -0.495 119.302 119.914 -0.195 0.000 2.888 248 V HA 0.467 4.588 4.120 0.001 0.000 0.309 248 V C -0.998 174.684 176.094 -0.686 0.000 1.114 248 V CA -0.991 61.109 62.300 -0.334 0.000 0.940 248 V CB 1.926 33.582 31.823 -0.278 0.000 1.021 248 V HN 0.469 nan 8.190 nan 0.000 0.426 249 N N 0.976 119.286 118.700 -0.649 0.000 2.469 249 N HA 0.355 5.096 4.740 0.001 0.000 0.286 249 N C 0.589 175.755 175.510 -0.574 0.000 1.275 249 N CA -0.609 52.004 53.050 -0.728 0.000 0.790 249 N CB 2.249 40.594 38.487 -0.236 0.000 1.446 249 N HN 0.676 nan 8.380 nan 0.000 0.501 250 Q N 0.281 119.973 119.800 -0.180 0.000 2.077 250 Q HA -0.117 4.224 4.340 0.001 0.000 0.206 250 Q C 0.258 176.325 176.000 0.111 0.000 0.989 250 Q CA 2.078 57.988 55.803 0.178 0.000 0.853 250 Q CB -0.185 28.746 28.738 0.321 0.000 0.907 250 Q HN 0.595 nan 8.270 nan 0.000 0.418 251 D N -0.624 119.820 120.400 0.073 0.000 2.348 251 D HA -0.077 4.564 4.640 0.001 0.000 0.216 251 D C 0.541 176.876 176.300 0.057 0.000 0.970 251 D CA 1.048 55.088 54.000 0.067 0.000 0.889 251 D CB -0.270 40.567 40.800 0.060 0.000 0.912 251 D HN 0.631 nan 8.370 nan 0.000 0.524 252 N N -0.676 118.053 118.700 0.049 0.000 2.205 252 N HA 0.045 4.786 4.740 0.001 0.000 0.201 252 N C -0.541 175.097 175.510 0.213 0.000 1.128 252 N CA -0.291 52.806 53.050 0.078 0.000 0.867 252 N CB 0.274 38.772 38.487 0.017 0.000 0.996 252 N HN -0.075 nan 8.380 nan 0.000 0.503 253 F N 0.969 120.930 119.950 0.018 0.000 2.839 253 F HA 0.304 4.831 4.527 0.001 0.000 0.344 253 F C 0.921 176.808 175.800 0.146 0.000 1.242 253 F CA -1.439 56.614 58.000 0.088 0.000 1.091 253 F CB 0.796 39.853 39.000 0.096 0.000 1.374 253 F HN 0.031 nan 8.300 nan 0.000 0.553 254 S N 3.871 119.409 115.700 -0.270 0.000 2.387 254 S HA -0.186 4.285 4.470 0.001 0.000 0.230 254 S C 1.305 175.718 174.600 -0.311 0.000 1.035 254 S CA 1.183 59.253 58.200 -0.216 0.000 1.014 254 S CB -0.309 62.819 63.200 -0.120 0.000 0.836 254 S HN 0.747 nan 8.310 nan 0.000 0.466 255 R N 0.248 120.291 120.500 -0.763 0.000 2.721 255 R HA 0.341 4.682 4.340 0.001 0.000 0.296 255 R C -0.672 175.660 176.300 0.054 0.000 1.174 255 R CA -0.456 55.389 56.100 -0.425 0.000 1.129 255 R CB -0.221 29.759 30.300 -0.533 0.000 1.316 255 R HN 0.420 nan 8.270 nan 0.000 0.571 256 F N 0.858 120.849 119.950 0.067 0.000 2.467 256 F HA 0.205 4.732 4.527 0.001 0.000 0.362 256 F C 0.834 176.670 175.800 0.061 0.000 1.090 256 F CA -0.948 57.179 58.000 0.212 0.000 1.202 256 F CB 0.922 40.047 39.000 0.208 0.000 1.113 256 F HN 0.014 nan 8.300 nan 0.000 0.541 257 A N 4.770 127.269 122.820 -0.534 0.000 2.423 257 A HA 0.573 4.894 4.320 0.001 0.000 0.246 257 A C 0.916 178.076 177.584 -0.706 0.000 1.278 257 A CA 0.304 52.051 52.037 -0.484 0.000 0.903 257 A CB -1.259 17.582 19.000 -0.264 0.000 0.997 257 A HN 1.741 nan 8.150 nan 0.000 0.510 258 G N -0.472 107.444 108.800 -1.474 0.000 2.756 258 G HA2 -0.122 3.839 3.960 0.001 0.000 0.678 258 G HA3 -0.122 3.839 3.960 0.001 0.000 0.678 258 G C -0.535 174.004 174.900 -0.602 0.000 1.349 258 G CA -0.703 43.840 45.100 -0.929 0.000 0.847 258 G HN 0.607 nan 8.290 nan 0.000 0.548 259 R N -0.684 119.646 120.500 -0.284 0.000 2.308 259 R HA 0.550 4.891 4.340 0.001 0.000 0.305 259 R C 0.740 176.818 176.300 -0.370 0.000 1.053 259 R CA -0.052 55.812 56.100 -0.394 0.000 0.957 259 R CB 1.438 31.313 30.300 -0.709 0.000 1.022 259 R HN 1.074 nan 8.270 nan 0.000 0.461 260 V N 0.201 119.861 119.914 -0.423 0.000 2.547 260 V HA 0.918 5.038 4.120 0.001 0.000 0.299 260 V C 0.826 176.517 176.094 -0.673 0.000 1.040 260 V CA 0.138 62.169 62.300 -0.448 0.000 0.913 260 V CB 1.447 32.976 31.823 -0.491 0.000 0.992 260 V HN 0.914 nan 8.190 nan 0.000 0.449 261 G N 1.982 110.479 108.800 -0.505 0.000 2.813 261 G HA2 -0.145 3.816 3.960 0.001 0.000 0.194 261 G HA3 -0.145 3.816 3.960 0.001 0.000 0.194 261 G C 0.045 175.050 174.900 0.175 0.000 1.010 261 G CA 0.417 45.375 45.100 -0.237 0.000 0.771 261 G HN 0.970 nan 8.290 nan 0.000 0.485 262 L N 0.007 121.284 121.223 0.091 0.000 2.590 262 L HA 0.715 5.056 4.340 0.001 0.000 0.181 262 L C 0.473 177.003 176.870 -0.567 0.000 1.134 262 L CA 0.407 55.074 54.840 -0.289 0.000 0.850 262 L CB -0.083 41.589 42.059 -0.644 0.000 1.172 262 L HN 0.068 nan 8.230 nan 0.000 0.498 263 F N 0.979 120.824 119.950 -0.174 0.000 2.375 263 F HA 0.199 4.727 4.527 0.002 0.000 0.333 263 F C 1.156 176.616 175.800 -0.567 0.000 1.104 263 F CA -0.300 57.512 58.000 -0.313 0.000 1.149 263 F CB 0.362 39.261 39.000 -0.169 0.000 1.190 263 F HN 0.231 nan 8.300 nan 0.000 0.533 264 N N 0.035 118.535 118.700 -0.333 0.000 2.322 264 N HA -0.035 4.706 4.740 0.001 0.000 0.194 264 N C -0.365 175.124 175.510 -0.035 0.000 1.126 264 N CA -0.025 52.866 53.050 -0.265 0.000 0.845 264 N CB -0.607 37.820 38.487 -0.100 0.000 0.976 264 N HN 0.560 nan 8.380 nan 0.000 0.475 265 N N -1.005 117.681 118.700 -0.022 0.000 2.416 265 N HA 0.076 4.817 4.740 0.001 0.000 0.267 265 N C -0.776 174.706 175.510 -0.048 0.000 1.294 265 N CA -0.475 52.555 53.050 -0.034 0.000 0.891 265 N CB 0.270 38.714 38.487 -0.072 0.000 1.238 265 N HN -0.003 nan 8.380 nan 0.000 0.508 266 Q N 0.197 119.987 119.800 -0.016 0.000 2.259 266 Q HA 0.434 4.775 4.340 0.001 0.000 0.249 266 Q C 0.782 176.749 176.000 -0.055 0.000 0.914 266 Q CA -0.126 55.648 55.803 -0.048 0.000 0.904 266 Q CB 1.754 30.475 28.738 -0.028 0.000 1.213 266 Q HN 0.376 nan 8.270 nan 0.000 0.428 267 A N 2.651 125.407 122.820 -0.105 0.000 1.929 267 A HA -0.061 4.260 4.320 0.001 0.000 0.216 267 A C 1.867 179.395 177.584 -0.093 0.000 1.176 267 A CA 1.638 53.616 52.037 -0.098 0.000 0.628 267 A CB -0.741 18.180 19.000 -0.131 0.000 0.816 267 A HN 0.848 nan 8.150 nan 0.000 0.444 268 G N 0.047 108.765 108.800 -0.138 0.000 2.469 268 G HA2 -0.303 3.658 3.960 0.001 0.000 0.219 268 G HA3 -0.303 3.658 3.960 0.001 0.000 0.219 268 G C 1.217 176.088 174.900 -0.048 0.000 1.150 268 G CA 1.264 46.283 45.100 -0.135 0.000 0.763 268 G HN 0.481 nan 8.290 nan 0.000 0.561 269 D N 0.368 120.779 120.400 0.018 0.000 2.117 269 D HA -0.049 4.592 4.640 0.001 0.000 0.198 269 D C 2.745 179.102 176.300 0.096 0.000 0.982 269 D CA 0.603 54.676 54.000 0.123 0.000 0.828 269 D CB -0.165 40.759 40.800 0.206 0.000 0.967 269 D HN 0.281 nan 8.370 nan 0.000 0.464 270 R N 0.360 120.890 120.500 0.050 0.000 2.073 270 R HA -0.048 4.293 4.340 0.001 0.000 0.234 270 R C 2.644 178.959 176.300 0.025 0.000 1.134 270 R CA 0.651 56.773 56.100 0.036 0.000 0.952 270 R CB -0.426 29.879 30.300 0.010 0.000 0.850 270 R HN 0.212 nan 8.270 nan 0.000 0.433 271 L N 0.679 121.902 121.223 -0.001 0.000 2.083 271 L HA -0.186 4.155 4.340 0.001 0.000 0.209 271 L C 2.409 179.285 176.870 0.010 0.000 1.083 271 L CA 1.090 55.923 54.840 -0.013 0.000 0.752 271 L CB -0.389 41.644 42.059 -0.045 0.000 0.899 271 L HN 0.212 nan 8.230 nan 0.000 0.433 272 L N -0.805 120.438 121.223 0.033 0.000 2.056 272 L HA -0.231 4.109 4.340 0.001 0.000 0.207 272 L C 2.666 179.627 176.870 0.152 0.000 1.078 272 L CA 1.325 56.220 54.840 0.091 0.000 0.749 272 L CB -0.387 41.748 42.059 0.127 0.000 0.901 272 L HN 0.326 nan 8.230 nan 0.000 0.433 273 Q N -0.635 119.244 119.800 0.132 0.000 2.167 273 Q HA -0.203 4.138 4.340 0.001 0.000 0.202 273 Q C 2.139 178.179 176.000 0.067 0.000 0.970 273 Q CA 1.102 56.970 55.803 0.108 0.000 0.855 273 Q CB -0.104 28.688 28.738 0.091 0.000 0.911 273 Q HN 0.362 nan 8.270 nan 0.000 0.438 274 L N 0.571 121.823 121.223 0.047 0.000 2.131 274 L HA 0.178 4.519 4.340 0.001 0.000 0.206 274 L C 0.635 177.518 176.870 0.023 0.000 1.087 274 L CA 0.684 55.539 54.840 0.025 0.000 0.767 274 L CB -0.670 41.395 42.059 0.009 0.000 0.917 274 L HN -0.007 nan 8.230 nan 0.000 0.441 275 A N 0.701 123.538 122.820 0.028 0.000 2.609 275 A HA -0.017 4.304 4.320 0.001 0.000 0.232 275 A C 0.884 178.485 177.584 0.028 0.000 1.041 275 A CA 0.724 52.774 52.037 0.020 0.000 0.753 275 A CB -0.243 18.774 19.000 0.029 0.000 0.966 275 A HN 0.655 nan 8.150 nan 0.000 0.510 276 D N 0.381 120.787 120.400 0.011 0.000 2.407 276 D HA 0.219 4.860 4.640 0.001 0.000 0.208 276 D C -0.145 176.164 176.300 0.014 0.000 1.083 276 D CA 0.066 54.073 54.000 0.012 0.000 0.844 276 D CB 0.203 41.004 40.800 0.002 0.000 0.967 276 D HN 0.314 nan 8.370 nan 0.000 0.506 277 L N 0.980 122.207 121.223 0.007 0.000 2.516 277 L HA 0.424 4.764 4.340 0.001 0.000 0.267 277 L C -1.924 174.945 176.870 -0.002 0.000 0.957 277 L CA -0.764 54.079 54.840 0.004 0.000 0.860 277 L CB 2.295 44.340 42.059 -0.023 0.000 1.265 277 L HN -0.206 nan 8.230 nan 0.000 0.403 278 V N 6.470 126.412 119.914 0.047 0.000 2.444 278 V HA 0.525 4.645 4.120 0.001 0.000 0.294 278 V C -0.114 176.026 176.094 0.077 0.000 1.022 278 V CA -0.365 61.965 62.300 0.051 0.000 0.850 278 V CB 1.758 33.673 31.823 0.153 0.000 0.992 278 V HN 0.603 nan 8.190 nan 0.000 0.426 279 I N 4.224 124.833 120.570 0.065 0.000 2.328 279 I HA 0.349 4.520 4.170 0.001 0.000 0.287 279 I C -0.276 175.961 176.117 0.200 0.000 1.012 279 I CA -0.149 61.254 61.300 0.172 0.000 1.195 279 I CB 1.195 39.361 38.000 0.276 0.000 1.350 279 I HN 0.519 nan 8.210 nan 0.000 0.464 280 C N 7.448 126.851 119.300 0.171 0.000 2.347 280 C HA 0.534 4.994 4.460 0.001 0.000 0.353 280 C C 0.374 175.417 174.990 0.089 0.000 1.273 280 C CA -0.511 58.587 59.018 0.134 0.000 1.861 280 C CB -0.367 27.568 27.740 0.325 0.000 2.420 280 C HN 0.528 nan 8.230 nan 0.000 0.542 281 I N 2.909 123.506 120.570 0.044 0.000 2.418 281 I HA 0.452 4.623 4.170 0.001 0.000 0.287 281 I C 1.041 177.168 176.117 0.017 0.000 1.008 281 I CA 0.040 61.327 61.300 -0.022 0.000 1.104 281 I CB 1.207 39.146 38.000 -0.100 0.000 1.264 281 I HN 0.930 nan 8.210 nan 0.000 0.438 282 G N 4.477 113.275 108.800 -0.003 0.000 2.283 282 G HA2 -0.329 3.632 3.960 0.001 0.000 0.280 282 G HA3 -0.329 3.632 3.960 0.001 0.000 0.280 282 G C -0.391 174.590 174.900 0.136 0.000 1.029 282 G CA 0.268 45.395 45.100 0.045 0.000 0.840 282 G HN 0.678 nan 8.290 nan 0.000 0.505 283 Y N 0.557 120.880 120.300 0.037 0.000 2.387 283 Y HA 0.697 5.248 4.550 0.002 0.000 0.336 283 Y C 0.005 175.989 175.900 0.140 0.000 1.067 283 Y CA -0.746 57.400 58.100 0.078 0.000 1.114 283 Y CB 2.138 40.642 38.460 0.073 0.000 1.208 283 Y HN 0.334 nan 8.280 nan 0.000 0.458 284 S N 5.998 121.234 115.700 -0.772 0.000 2.521 284 S HA 0.430 4.901 4.470 0.001 0.000 0.295 284 S C -2.251 171.625 174.600 -1.207 0.000 1.098 284 S CA -1.895 55.880 58.200 -0.708 0.000 0.999 284 S CB 1.719 64.721 63.200 -0.330 0.000 1.034 284 S HN 0.601 nan 8.310 nan 0.000 0.483 285 P HA -0.146 nan 4.420 nan 0.000 0.218 285 P C 1.560 178.714 177.300 -0.243 0.000 1.146 285 P CA 1.359 64.160 63.100 -0.499 0.000 0.820 285 P CB -0.186 31.349 31.700 -0.275 0.000 0.778 286 V N -2.139 117.616 119.914 -0.265 0.000 2.594 286 V HA -0.217 3.904 4.120 0.001 0.000 0.253 286 V C 1.786 177.855 176.094 -0.042 0.000 1.069 286 V CA 1.678 63.894 62.300 -0.141 0.000 1.082 286 V CB -1.437 30.280 31.823 -0.177 0.000 0.680 286 V HN 0.137 nan 8.190 nan 0.000 0.469 287 E N -0.788 119.383 120.200 -0.049 0.000 2.208 287 E HA -0.000 4.350 4.350 0.001 0.000 0.193 287 E C 0.017 176.818 176.600 0.335 0.000 0.988 287 E CA 1.026 57.498 56.400 0.120 0.000 0.828 287 E CB 0.102 29.881 29.700 0.132 0.000 0.763 287 E HN 0.718 nan 8.360 nan 0.000 0.478 288 Y N 0.734 121.168 120.300 0.223 0.000 2.262 288 Y HA 0.112 4.663 4.550 0.001 0.000 0.317 288 Y C -1.352 174.760 175.900 0.353 0.000 1.230 288 Y CA -1.655 56.620 58.100 0.291 0.000 1.166 288 Y CB 0.626 39.282 38.460 0.328 0.000 1.254 288 Y HN -0.174 nan 8.280 nan 0.000 0.405 289 E N 7.899 128.106 120.200 0.011 0.000 2.729 289 E HA 0.016 4.367 4.350 0.001 0.000 0.246 289 E C -1.841 174.600 176.600 -0.266 0.000 0.984 289 E CA -0.629 55.698 56.400 -0.122 0.000 0.951 289 E CB 0.946 30.562 29.700 -0.140 0.000 0.914 289 E HN 0.446 nan 8.360 nan 0.000 0.509 290 P HA -0.205 nan 4.420 nan 0.000 0.219 290 P C 0.695 177.567 177.300 -0.713 0.000 1.146 290 P CA 1.616 64.337 63.100 -0.632 0.000 0.808 290 P CB 0.155 31.674 31.700 -0.301 0.000 0.779 291 A N -1.078 121.510 122.820 -0.387 0.000 2.076 291 A HA -0.176 4.145 4.320 0.001 0.000 0.220 291 A C 1.967 179.377 177.584 -0.290 0.000 1.160 291 A CA 1.504 53.365 52.037 -0.293 0.000 0.653 291 A CB -1.180 17.708 19.000 -0.187 0.000 0.801 291 A HN 0.084 nan 8.150 nan 0.000 0.455 292 M N -1.334 118.054 119.600 -0.353 0.000 2.506 292 M HA 0.034 4.514 4.480 0.001 0.000 0.260 292 M C 1.616 177.879 176.300 -0.062 0.000 1.104 292 M CA 0.620 55.765 55.300 -0.259 0.000 1.112 292 M CB -0.691 31.658 32.600 -0.419 0.000 1.401 292 M HN 0.988 nan 8.290 nan 0.000 0.473 293 W N -1.635 119.555 121.300 -0.184 0.000 2.340 293 W HA 0.297 4.958 4.660 0.001 0.000 0.250 293 W C -0.223 176.286 176.519 -0.017 0.000 0.952 293 W CA -0.382 56.932 57.345 -0.051 0.000 1.219 293 W CB -0.318 29.149 29.460 0.012 0.000 0.921 293 W HN 0.081 nan 8.180 nan 0.000 0.603 294 N N 2.510 120.785 118.700 -0.708 0.000 2.485 294 N HA 0.157 4.898 4.740 0.001 0.000 0.243 294 N C 0.843 176.175 175.510 -0.297 0.000 0.987 294 N CA 0.477 53.170 53.050 -0.594 0.000 0.940 294 N CB 1.643 39.411 38.487 -1.199 0.000 1.122 294 N HN 0.055 nan 8.380 nan 0.000 0.509 295 S N 1.929 117.555 115.700 -0.123 0.000 2.496 295 S HA 0.189 4.660 4.470 0.001 0.000 0.224 295 S C 1.486 176.039 174.600 -0.078 0.000 0.996 295 S CA 0.489 58.638 58.200 -0.084 0.000 0.927 295 S CB -0.116 63.065 63.200 -0.032 0.000 0.774 295 S HN 0.812 nan 8.310 nan 0.000 0.524 296 G N 2.849 111.603 108.800 -0.076 0.000 2.234 296 G HA2 -0.370 3.591 3.960 0.001 0.000 0.235 296 G HA3 -0.370 3.591 3.960 0.001 0.000 0.235 296 G C 0.762 175.647 174.900 -0.025 0.000 0.997 296 G CA 0.312 45.377 45.100 -0.059 0.000 0.623 296 G HN 0.745 nan 8.290 nan 0.000 0.514 297 N N 0.874 119.567 118.700 -0.012 0.000 2.453 297 N HA 0.343 5.084 4.740 0.001 0.000 0.183 297 N C 1.144 176.662 175.510 0.012 0.000 1.041 297 N CA 0.739 53.789 53.050 -0.001 0.000 0.900 297 N CB 0.075 38.563 38.487 0.002 0.000 0.961 297 N HN 0.949 nan 8.380 nan 0.000 0.443 298 A N 0.953 123.791 122.820 0.029 0.000 2.310 298 A HA 0.337 4.657 4.320 0.001 0.000 0.299 298 A C 0.078 177.687 177.584 0.041 0.000 1.147 298 A CA -0.493 51.570 52.037 0.045 0.000 0.818 298 A CB 0.680 19.730 19.000 0.083 0.000 1.096 298 A HN 0.188 nan 8.150 nan 0.000 0.495 299 T N 2.138 116.712 114.554 0.032 0.000 2.888 299 T HA 0.309 4.660 4.350 0.001 0.000 0.301 299 T C -0.226 174.504 174.700 0.050 0.000 1.001 299 T CA 0.559 62.675 62.100 0.028 0.000 1.147 299 T CB -0.006 68.874 68.868 0.020 0.000 0.931 299 T HN 0.506 nan 8.240 nan 0.000 0.541 300 L N 6.013 127.262 121.223 0.042 0.000 2.305 300 L HA 0.626 4.967 4.340 0.001 0.000 0.284 300 L C -0.910 175.998 176.870 0.063 0.000 1.013 300 L CA -0.474 54.408 54.840 0.069 0.000 0.819 300 L CB 1.297 43.374 42.059 0.030 0.000 1.227 300 L HN 0.408 nan 8.230 nan 0.000 0.417 301 V N 4.774 124.753 119.914 0.109 0.000 2.459 301 V HA 0.390 4.510 4.120 0.001 0.000 0.295 301 V C -0.910 175.305 176.094 0.201 0.000 1.029 301 V CA -0.655 61.720 62.300 0.125 0.000 0.874 301 V CB 1.500 33.388 31.823 0.109 0.000 0.985 301 V HN 0.857 nan 8.190 nan 0.000 0.438 302 H N 4.894 124.029 119.070 0.109 0.000 2.481 302 H HA 0.704 5.261 4.556 0.002 0.000 0.333 302 H C -1.002 174.416 175.328 0.150 0.000 1.066 302 H CA -0.518 55.639 56.048 0.182 0.000 1.209 302 H CB 1.169 31.035 29.762 0.172 0.000 1.445 302 H HN 0.579 nan 8.280 nan 0.000 0.488 303 I N 5.290 125.695 120.570 -0.275 0.000 2.439 303 I HA 0.289 4.460 4.170 0.001 0.000 0.285 303 I C -0.973 174.974 176.117 -0.284 0.000 1.021 303 I CA -0.448 60.748 61.300 -0.174 0.000 1.091 303 I CB 1.503 39.473 38.000 -0.050 0.000 1.242 303 I HN 0.652 nan 8.210 nan 0.000 0.439 304 D N 3.021 123.320 120.400 -0.169 0.000 2.671 304 D HA 0.199 4.839 4.640 0.001 0.000 0.273 304 D C 0.438 176.768 176.300 0.049 0.000 1.264 304 D CA -0.461 53.507 54.000 -0.055 0.000 0.788 304 D CB 2.220 43.006 40.800 -0.023 0.000 1.324 304 D HN 0.201 nan 8.370 nan 0.000 0.424 305 V N -0.856 119.095 119.914 0.062 0.000 3.141 305 V HA 0.286 4.407 4.120 0.001 0.000 0.265 305 V C 0.707 176.848 176.094 0.079 0.000 1.126 305 V CA 0.849 63.185 62.300 0.061 0.000 1.141 305 V CB -0.862 30.991 31.823 0.051 0.000 0.743 305 V HN 0.298 nan 8.190 nan 0.000 0.492 306 L N -0.791 120.504 121.223 0.121 0.000 2.350 306 L HA 0.609 4.950 4.340 0.001 0.000 0.260 306 L C -2.613 174.331 176.870 0.124 0.000 1.015 306 L CA -2.292 52.603 54.840 0.092 0.000 0.821 306 L CB 2.237 44.341 42.059 0.076 0.000 1.370 306 L HN -0.141 nan 8.230 nan 0.000 0.416 307 P HA 0.027 nan 4.420 nan 0.000 0.270 307 P C -0.868 176.335 177.300 -0.162 0.000 1.227 307 P CA -0.177 62.891 63.100 -0.054 0.000 0.788 307 P CB 0.461 32.089 31.700 -0.119 0.000 0.926 308 A N 1.331 123.935 122.820 -0.359 0.000 2.425 308 A HA 0.179 4.500 4.320 0.001 0.000 0.249 308 A C -0.698 176.777 177.584 -0.180 0.000 1.084 308 A CA -0.026 51.724 52.037 -0.478 0.000 0.781 308 A CB -0.566 18.027 19.000 -0.678 0.000 1.019 308 A HN 0.487 nan 8.150 nan 0.000 0.490 309 Y N 2.131 122.443 120.300 0.020 0.000 2.636 309 Y HA 0.140 4.690 4.550 0.001 0.000 0.334 309 Y C 0.819 176.778 175.900 0.098 0.000 1.286 309 Y CA 0.069 58.185 58.100 0.028 0.000 1.688 309 Y CB -0.174 38.278 38.460 -0.013 0.000 1.662 309 Y HN 0.693 nan 8.280 nan 0.000 0.465 310 E N 2.432 122.739 120.200 0.178 0.000 2.438 310 E HA 0.132 4.483 4.350 0.001 0.000 0.261 310 E C -0.136 176.558 176.600 0.155 0.000 1.103 310 E CA 0.102 56.613 56.400 0.186 0.000 0.959 310 E CB 0.660 30.393 29.700 0.054 0.000 0.958 310 E HN 0.685 nan 8.360 nan 0.000 0.447 311 E N -0.619 119.667 120.200 0.144 0.000 2.439 311 E HA 0.127 4.478 4.350 0.001 0.000 0.279 311 E C 0.443 177.072 176.600 0.049 0.000 1.077 311 E CA -0.968 55.481 56.400 0.082 0.000 0.849 311 E CB 0.399 30.142 29.700 0.071 0.000 1.408 311 E HN 0.423 nan 8.360 nan 0.000 0.457 312 R N 0.845 121.352 120.500 0.011 0.000 2.153 312 R HA -0.178 4.163 4.340 0.001 0.000 0.252 312 R C 0.121 176.401 176.300 -0.033 0.000 1.158 312 R CA 2.067 58.157 56.100 -0.016 0.000 0.975 312 R CB -0.685 29.598 30.300 -0.029 0.000 0.871 312 R HN 0.472 nan 8.270 nan 0.000 0.450 313 N N -1.032 117.647 118.700 -0.034 0.000 2.282 313 N HA 0.039 4.780 4.740 0.001 0.000 0.240 313 N C -1.332 174.171 175.510 -0.012 0.000 1.182 313 N CA -0.046 52.950 53.050 -0.089 0.000 0.874 313 N CB 0.839 39.213 38.487 -0.188 0.000 1.126 313 N HN 0.233 nan 8.380 nan 0.000 0.516 314 Y N 1.229 121.481 120.300 -0.080 0.000 2.517 314 Y HA 0.154 4.704 4.550 0.001 0.000 0.346 314 Y C -0.758 175.152 175.900 0.018 0.000 1.113 314 Y CA -0.843 57.256 58.100 -0.002 0.000 1.295 314 Y CB 0.363 38.877 38.460 0.092 0.000 1.094 314 Y HN -0.073 nan 8.280 nan 0.000 0.608 315 T N 2.360 116.779 114.554 -0.225 0.000 3.241 315 T HA 0.437 4.788 4.350 0.001 0.000 0.387 315 T C -2.874 171.688 174.700 -0.230 0.000 1.451 315 T CA -2.137 59.846 62.100 -0.195 0.000 1.363 315 T CB 0.672 69.484 68.868 -0.094 0.000 1.074 315 T HN 0.238 nan 8.240 nan 0.000 0.598 316 P HA 0.057 nan 4.420 nan 0.000 0.260 316 P C 0.577 177.824 177.300 -0.088 0.000 1.172 316 P CA 0.100 63.079 63.100 -0.202 0.000 0.760 316 P CB 0.567 32.164 31.700 -0.172 0.000 0.773 317 D N 1.393 121.765 120.400 -0.046 0.000 2.178 317 D HA -0.040 4.600 4.640 0.001 0.000 0.202 317 D C 0.459 176.758 176.300 -0.002 0.000 0.974 317 D CA 1.353 55.341 54.000 -0.021 0.000 0.841 317 D CB 0.303 41.098 40.800 -0.008 0.000 0.953 317 D HN 0.142 nan 8.370 nan 0.000 0.478 318 V N 0.664 120.588 119.914 0.018 0.000 2.588 318 V HA 0.282 4.403 4.120 0.001 0.000 0.304 318 V C -0.364 175.772 176.094 0.069 0.000 1.042 318 V CA -0.817 61.505 62.300 0.038 0.000 0.877 318 V CB 2.690 34.541 31.823 0.047 0.000 0.996 318 V HN -0.104 nan 8.190 nan 0.000 0.425 319 E N 4.572 124.815 120.200 0.072 0.000 2.220 319 E HA 0.598 4.949 4.350 0.001 0.000 0.256 319 E C -1.673 175.002 176.600 0.124 0.000 0.881 319 E CA -0.555 55.920 56.400 0.125 0.000 0.766 319 E CB 1.367 31.103 29.700 0.061 0.000 1.187 319 E HN 0.656 nan 8.360 nan 0.000 0.419 320 L N 4.183 125.500 121.223 0.156 0.000 2.313 320 L HA 0.611 4.952 4.340 0.001 0.000 0.283 320 L C -0.716 176.225 176.870 0.118 0.000 1.013 320 L CA -1.150 53.752 54.840 0.104 0.000 0.816 320 L CB 1.606 43.708 42.059 0.071 0.000 1.236 320 L HN 0.279 nan 8.230 nan 0.000 0.419 321 V N 1.962 121.928 119.914 0.088 0.000 2.588 321 V HA 0.979 5.100 4.120 0.001 0.000 0.304 321 V C 0.336 176.459 176.094 0.049 0.000 1.042 321 V CA -0.233 62.116 62.300 0.081 0.000 0.877 321 V CB 1.460 33.331 31.823 0.079 0.000 0.996 321 V HN 1.047 nan 8.190 nan 0.000 0.425 322 G N 3.251 112.075 108.800 0.039 0.000 2.333 322 G HA2 0.271 4.232 3.960 0.001 0.000 0.288 322 G HA3 0.271 4.232 3.960 0.001 0.000 0.288 322 G C -1.546 173.364 174.900 0.017 0.000 1.286 322 G CA -0.711 44.404 45.100 0.026 0.000 0.865 322 G HN 0.712 nan 8.290 nan 0.000 0.506 323 D N -0.200 120.206 120.400 0.010 0.000 2.434 323 D HA 0.252 4.893 4.640 0.001 0.000 0.252 323 D C 1.771 178.068 176.300 -0.004 0.000 1.185 323 D CA 0.047 54.049 54.000 0.003 0.000 0.886 323 D CB 0.423 41.223 40.800 0.000 0.000 1.148 323 D HN 0.344 nan 8.370 nan 0.000 0.483 324 I N 3.528 124.091 120.570 -0.011 0.000 2.202 324 I HA -0.249 3.922 4.170 0.001 0.000 0.242 324 I C 2.308 178.403 176.117 -0.036 0.000 1.091 324 I CA 1.035 62.319 61.300 -0.026 0.000 1.368 324 I CB -0.329 37.651 38.000 -0.034 0.000 1.058 324 I HN 0.571 nan 8.210 nan 0.000 0.410 325 A N 1.103 123.903 122.820 -0.033 0.000 1.865 325 A HA -0.182 4.139 4.320 0.001 0.000 0.217 325 A C 2.441 180.007 177.584 -0.030 0.000 1.191 325 A CA 2.160 54.174 52.037 -0.037 0.000 0.623 325 A CB -1.535 17.446 19.000 -0.031 0.000 0.826 325 A HN 0.468 nan 8.150 nan 0.000 0.444 326 G N -1.514 107.275 108.800 -0.019 0.000 2.422 326 G HA2 -0.121 3.840 3.960 0.001 0.000 0.218 326 G HA3 -0.121 3.840 3.960 0.001 0.000 0.218 326 G C 1.554 176.448 174.900 -0.011 0.000 1.146 326 G CA 1.643 46.736 45.100 -0.013 0.000 0.769 326 G HN 0.448 nan 8.290 nan 0.000 0.547 327 T N 1.352 115.899 114.554 -0.011 0.000 2.777 327 T HA 0.009 4.360 4.350 0.001 0.000 0.266 327 T C 2.407 177.100 174.700 -0.012 0.000 1.040 327 T CA 0.755 62.852 62.100 -0.006 0.000 1.141 327 T CB -0.165 68.701 68.868 -0.003 0.000 0.868 327 T HN 0.138 nan 8.240 nan 0.000 0.444 328 L N 1.070 122.273 121.223 -0.033 0.000 2.093 328 L HA -0.068 4.273 4.340 0.001 0.000 0.208 328 L C 2.569 179.419 176.870 -0.034 0.000 1.085 328 L CA 0.903 55.713 54.840 -0.050 0.000 0.755 328 L CB -0.638 41.362 42.059 -0.098 0.000 0.904 328 L HN 0.227 nan 8.230 nan 0.000 0.435 329 N N 0.692 119.374 118.700 -0.029 0.000 2.120 329 N HA -0.160 4.580 4.740 0.001 0.000 0.188 329 N C 1.782 177.287 175.510 -0.008 0.000 1.024 329 N CA 1.283 54.321 53.050 -0.020 0.000 0.852 329 N CB -0.101 38.375 38.487 -0.019 0.000 1.003 329 N HN 0.366 nan 8.380 nan 0.000 0.424 330 K N 0.470 120.867 120.400 -0.004 0.000 2.097 330 K HA -0.055 4.266 4.320 0.001 0.000 0.205 330 K C 1.939 178.546 176.600 0.010 0.000 1.050 330 K CA 0.467 56.755 56.287 0.003 0.000 0.938 330 K CB -0.180 32.323 32.500 0.005 0.000 0.718 330 K HN 0.009 nan 8.250 nan 0.000 0.442 331 L N 1.271 122.503 121.223 0.016 0.000 2.046 331 L HA -0.118 4.223 4.340 0.001 0.000 0.208 331 L C 2.184 179.076 176.870 0.038 0.000 1.077 331 L CA 1.779 56.639 54.840 0.034 0.000 0.747 331 L CB -0.685 41.404 42.059 0.049 0.000 0.896 331 L HN 0.125 nan 8.230 nan 0.000 0.432 332 A N -1.270 121.566 122.820 0.027 0.000 1.972 332 A HA -0.241 4.080 4.320 0.001 0.000 0.219 332 A C 2.179 179.772 177.584 0.016 0.000 1.169 332 A CA 1.680 53.734 52.037 0.028 0.000 0.635 332 A CB -0.551 18.456 19.000 0.011 0.000 0.810 332 A HN 0.660 nan 8.150 nan 0.000 0.446 333 Q N -0.433 119.371 119.800 0.007 0.000 2.488 333 Q HA 0.026 4.367 4.340 0.001 0.000 0.211 333 Q C 0.567 176.565 176.000 -0.003 0.000 0.967 333 Q CA 0.582 56.385 55.803 -0.000 0.000 0.926 333 Q CB 0.095 28.832 28.738 -0.002 0.000 0.992 333 Q HN 0.578 nan 8.270 nan 0.000 0.506 334 N N -0.233 118.470 118.700 0.005 0.000 2.214 334 N HA 0.189 4.929 4.740 0.001 0.000 0.214 334 N C -0.631 174.879 175.510 0.000 0.000 1.132 334 N CA 0.219 53.271 53.050 0.002 0.000 0.856 334 N CB 1.095 39.589 38.487 0.012 0.000 1.020 334 N HN 0.160 nan 8.380 nan 0.000 0.509 335 I N 0.641 121.210 120.570 -0.001 0.000 2.378 335 I HA 0.174 4.345 4.170 0.001 0.000 0.291 335 I C 0.433 176.514 176.117 -0.061 0.000 0.992 335 I CA -0.425 60.873 61.300 -0.003 0.000 1.154 335 I CB 1.804 39.829 38.000 0.042 0.000 1.315 335 I HN -0.201 nan 8.210 nan 0.000 0.448 336 D N 3.770 124.082 120.400 -0.146 0.000 2.355 336 D HA 0.100 4.741 4.640 0.001 0.000 0.206 336 D C 0.199 176.153 176.300 -0.576 0.000 1.010 336 D CA 0.920 54.693 54.000 -0.378 0.000 0.875 336 D CB 0.574 41.056 40.800 -0.530 0.000 0.966 336 D HN 0.450 nan 8.370 nan 0.000 0.512 337 H N 0.134 119.229 119.070 0.041 0.000 2.930 337 H HA 0.377 4.934 4.556 0.001 0.000 0.371 337 H C 0.196 175.563 175.328 0.066 0.000 1.169 337 H CA -0.553 55.523 56.048 0.045 0.000 1.157 337 H CB 1.615 31.398 29.762 0.036 0.000 1.789 337 H HN -0.198 nan 8.280 nan 0.000 0.547 338 R N 0.790 121.416 120.500 0.211 0.000 2.679 338 R HA 0.159 4.500 4.340 0.001 0.000 0.269 338 R C 0.096 176.506 176.300 0.184 0.000 1.076 338 R CA -0.837 55.383 56.100 0.200 0.000 1.160 338 R CB 0.885 31.300 30.300 0.191 0.000 1.054 338 R HN 0.268 nan 8.270 nan 0.000 0.507 339 L N 1.677 123.005 121.223 0.175 0.000 2.426 339 L HA 0.133 4.474 4.340 0.001 0.000 0.271 339 L C -0.747 176.159 176.870 0.060 0.000 1.169 339 L CA 0.135 55.027 54.840 0.087 0.000 0.836 339 L CB 1.226 43.304 42.059 0.031 0.000 1.112 339 L HN 0.242 nan 8.230 nan 0.000 0.465 340 V N 6.690 126.620 119.914 0.026 0.000 2.347 340 V HA 0.286 4.407 4.120 0.001 0.000 0.280 340 V C 0.336 176.417 176.094 -0.022 0.000 1.021 340 V CA -0.715 61.589 62.300 0.007 0.000 0.847 340 V CB 1.101 32.926 31.823 0.002 0.000 0.990 340 V HN 0.643 nan 8.190 nan 0.000 0.444 341 L N 4.476 125.672 121.223 -0.044 0.000 2.514 341 L HA 0.159 4.500 4.340 0.001 0.000 0.280 341 L C 1.161 178.008 176.870 -0.038 0.000 1.223 341 L CA 0.447 55.253 54.840 -0.055 0.000 0.864 341 L CB 0.706 42.720 42.059 -0.076 0.000 1.118 341 L HN 0.863 nan 8.230 nan 0.000 0.494 342 S N 2.729 118.407 115.700 -0.036 0.000 2.624 342 S HA 0.295 4.766 4.470 0.001 0.000 0.263 342 S C -1.777 172.807 174.600 -0.028 0.000 1.287 342 S CA -1.126 57.057 58.200 -0.028 0.000 0.990 342 S CB 1.185 64.371 63.200 -0.024 0.000 0.950 342 S HN 0.405 nan 8.310 nan 0.000 0.561 343 P HA -0.151 nan 4.420 nan 0.000 0.213 343 P C 1.585 178.872 177.300 -0.022 0.000 1.170 343 P CA 1.625 64.712 63.100 -0.021 0.000 0.902 343 P CB -0.065 31.625 31.700 -0.016 0.000 0.789 344 Q N -0.888 118.900 119.800 -0.019 0.000 2.124 344 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 344 Q C 2.241 178.226 176.000 -0.025 0.000 0.977 344 Q CA 1.598 57.390 55.803 -0.018 0.000 0.850 344 Q CB -0.760 27.971 28.738 -0.013 0.000 0.901 344 Q HN 0.182 nan 8.270 nan 0.000 0.429 345 A N 1.431 124.233 122.820 -0.031 0.000 1.865 345 A HA -0.160 4.161 4.320 0.001 0.000 0.217 345 A C 2.358 179.912 177.584 -0.049 0.000 1.191 345 A CA 1.756 53.767 52.037 -0.042 0.000 0.623 345 A CB -0.916 18.054 19.000 -0.050 0.000 0.826 345 A HN 0.404 nan 8.150 nan 0.000 0.444 346 A N -0.894 121.898 122.820 -0.048 0.000 1.933 346 A HA -0.164 4.156 4.320 0.001 0.000 0.218 346 A C 2.060 179.619 177.584 -0.041 0.000 1.175 346 A CA 1.832 53.839 52.037 -0.050 0.000 0.628 346 A CB -0.453 18.521 19.000 -0.043 0.000 0.814 346 A HN 0.508 nan 8.150 nan 0.000 0.444 347 E N 0.452 120.632 120.200 -0.033 0.000 2.038 347 E HA -0.184 4.167 4.350 0.001 0.000 0.195 347 E C 1.947 178.531 176.600 -0.027 0.000 1.000 347 E CA 1.506 57.890 56.400 -0.026 0.000 0.803 347 E CB -0.355 29.333 29.700 -0.019 0.000 0.750 347 E HN 0.670 nan 8.360 nan 0.000 0.448 348 I N 0.741 121.292 120.570 -0.031 0.000 2.163 348 I HA -0.316 3.855 4.170 0.001 0.000 0.243 348 I C 2.621 178.708 176.117 -0.049 0.000 1.085 348 I CA 0.989 62.268 61.300 -0.035 0.000 1.347 348 I CB -0.303 37.675 38.000 -0.037 0.000 1.044 348 I HN 0.104 nan 8.210 nan 0.000 0.408 349 L N 0.342 121.530 121.223 -0.058 0.000 2.275 349 L HA -0.204 4.137 4.340 0.001 0.000 0.215 349 L C 3.220 180.057 176.870 -0.055 0.000 1.119 349 L CA 1.090 55.888 54.840 -0.069 0.000 0.790 349 L CB -0.733 41.276 42.059 -0.082 0.000 0.919 349 L HN 0.254 nan 8.230 nan 0.000 0.443 350 R N -0.153 120.322 120.500 -0.041 0.000 2.075 350 R HA -0.174 4.167 4.340 0.001 0.000 0.232 350 R C 1.779 178.074 176.300 -0.008 0.000 1.126 350 R CA 1.858 57.941 56.100 -0.028 0.000 0.963 350 R CB -1.359 28.925 30.300 -0.026 0.000 0.858 350 R HN 0.350 nan 8.270 nan 0.000 0.435 351 D N -0.099 120.296 120.400 -0.008 0.000 2.117 351 D HA -0.167 4.473 4.640 0.001 0.000 0.197 351 D C 2.054 178.342 176.300 -0.019 0.000 0.987 351 D CA 1.543 55.549 54.000 0.010 0.000 0.829 351 D CB -0.300 40.494 40.800 -0.009 0.000 0.961 351 D HN 0.496 nan 8.370 nan 0.000 0.460 352 R N 0.951 121.415 120.500 -0.060 0.000 2.120 352 R HA -0.149 4.192 4.340 0.001 0.000 0.234 352 R C 2.218 178.460 176.300 -0.096 0.000 1.123 352 R CA 1.153 57.190 56.100 -0.105 0.000 0.975 352 R CB -0.050 30.176 30.300 -0.124 0.000 0.866 352 R HN 0.204 nan 8.270 nan 0.000 0.446 353 Q N -0.297 119.473 119.800 -0.050 0.000 2.030 353 Q HA -0.276 4.065 4.340 0.001 0.000 0.204 353 Q C 1.978 177.988 176.000 0.017 0.000 0.986 353 Q CA 2.060 57.844 55.803 -0.031 0.000 0.843 353 Q CB -0.308 28.419 28.738 -0.018 0.000 0.904 353 Q HN 0.640 nan 8.270 nan 0.000 0.420 354 H N -0.318 118.706 119.070 -0.077 0.000 2.352 354 H HA -0.176 4.381 4.556 0.001 0.000 0.299 354 H C 2.304 177.581 175.328 -0.085 0.000 1.097 354 H CA 1.487 57.495 56.048 -0.066 0.000 1.311 354 H CB 0.155 29.885 29.762 -0.054 0.000 1.377 354 H HN 0.390 nan 8.280 nan 0.000 0.504 355 Q N 0.387 120.114 119.800 -0.123 0.000 2.061 355 Q HA -0.260 4.081 4.340 0.001 0.000 0.204 355 Q C 2.727 178.589 176.000 -0.230 0.000 0.984 355 Q CA 2.346 58.007 55.803 -0.237 0.000 0.846 355 Q CB -0.150 28.456 28.738 -0.221 0.000 0.902 355 Q HN 0.524 nan 8.270 nan 0.000 0.421 356 R N 0.978 121.338 120.500 -0.234 0.000 2.091 356 R HA -0.191 4.150 4.340 0.001 0.000 0.238 356 R C 1.833 178.052 176.300 -0.136 0.000 1.136 356 R CA 1.886 57.796 56.100 -0.317 0.000 0.959 356 R CB -1.398 28.721 30.300 -0.302 0.000 0.856 356 R HN 0.616 nan 8.270 nan 0.000 0.437 357 E N 0.480 120.654 120.200 -0.043 0.000 2.058 357 E HA -0.124 4.226 4.350 0.001 0.000 0.194 357 E C 2.194 178.818 176.600 0.040 0.000 0.997 357 E CA 1.477 57.897 56.400 0.033 0.000 0.801 357 E CB -0.233 29.527 29.700 0.099 0.000 0.746 357 E HN 0.529 nan 8.360 nan 0.000 0.450 358 L N 0.583 121.806 121.223 0.000 0.000 2.131 358 L HA -0.195 4.146 4.340 0.001 0.000 0.210 358 L C 2.351 179.239 176.870 0.029 0.000 1.092 358 L CA 0.751 55.585 54.840 -0.010 0.000 0.759 358 L CB -0.263 41.726 42.059 -0.118 0.000 0.903 358 L HN 0.197 nan 8.230 nan 0.000 0.435 359 L N -1.241 119.993 121.223 0.018 0.000 2.179 359 L HA -0.038 4.303 4.340 0.001 0.000 0.208 359 L C 0.978 178.020 176.870 0.286 0.000 1.096 359 L CA 0.226 55.148 54.840 0.135 0.000 0.779 359 L CB -0.356 41.724 42.059 0.034 0.000 0.922 359 L HN 0.251 nan 8.230 nan 0.000 0.443 367 N N 0.969 119.653 118.700 -0.028 0.000 2.214 367 N HA 0.046 4.787 4.740 0.001 0.000 0.214 367 N C 0.426 175.950 175.510 0.022 0.000 1.132 367 N CA -0.130 52.913 53.050 -0.013 0.000 0.856 367 N CB 0.658 39.133 38.487 -0.021 0.000 1.020 367 N HN 0.669 nan 8.380 nan 0.000 0.509 368 Q N 0.123 119.943 119.800 0.033 0.000 2.584 368 Q HA 0.241 4.581 4.340 0.001 0.000 0.235 368 Q C -0.900 175.186 176.000 0.144 0.000 1.079 368 Q CA 0.096 55.940 55.803 0.068 0.000 0.977 368 Q CB 0.713 29.480 28.738 0.047 0.000 1.293 368 Q HN 0.078 nan 8.270 nan 0.000 0.553 369 F N -0.418 119.501 119.950 -0.052 0.000 2.605 369 F HA 0.545 5.073 4.527 0.001 0.000 0.320 369 F C -1.035 174.728 175.800 -0.062 0.000 1.159 369 F CA -0.619 57.339 58.000 -0.070 0.000 0.999 369 F CB 1.377 40.340 39.000 -0.062 0.000 1.258 369 F HN 0.912 nan 8.300 nan 0.000 0.464 370 A N 5.509 127.896 122.820 -0.720 0.000 2.536 370 A HA 0.338 4.659 4.320 0.001 0.000 0.234 370 A C -0.022 177.347 177.584 -0.358 0.000 1.076 370 A CA -0.226 51.258 52.037 -0.921 0.000 0.769 370 A CB -0.002 18.576 19.000 -0.703 0.000 1.020 370 A HN 0.856 nan 8.150 nan 0.000 0.508 371 L N 0.761 121.829 121.223 -0.259 0.000 2.499 371 L HA 0.040 4.381 4.340 0.001 0.000 0.281 371 L C 0.828 177.536 176.870 -0.270 0.000 1.234 371 L CA 0.128 54.862 54.840 -0.178 0.000 0.839 371 L CB 0.093 42.018 42.059 -0.224 0.000 1.104 371 L HN 0.892 nan 8.230 nan 0.000 0.500 372 H N 3.288 122.190 119.070 -0.279 0.000 2.525 372 H HA 0.149 4.705 4.556 0.001 0.000 0.339 372 H C -1.836 173.207 175.328 -0.475 0.000 1.109 372 H CA -1.312 54.551 56.048 -0.308 0.000 1.352 372 H CB 1.475 31.117 29.762 -0.199 0.000 1.461 372 H HN 0.257 nan 8.280 nan 0.000 0.533 373 P HA -0.248 nan 4.420 nan 0.000 0.215 373 P C 1.506 178.503 177.300 -0.505 0.000 1.163 373 P CA 1.040 63.562 63.100 -0.963 0.000 0.894 373 P CB 0.145 30.571 31.700 -2.124 0.000 0.791 374 L N -0.563 120.546 121.223 -0.190 0.000 2.079 374 L HA -0.155 4.186 4.340 0.001 0.000 0.210 374 L C 2.446 179.244 176.870 -0.121 0.000 1.081 374 L CA 1.877 56.687 54.840 -0.050 0.000 0.752 374 L CB -1.089 41.033 42.059 0.106 0.000 0.896 374 L HN -0.226 nan 8.230 nan 0.000 0.433 375 R N 0.045 120.487 120.500 -0.097 0.000 2.081 375 R HA -0.118 4.223 4.340 0.001 0.000 0.235 375 R C 2.135 178.320 176.300 -0.191 0.000 1.131 375 R CA 2.071 58.088 56.100 -0.138 0.000 0.960 375 R CB -0.727 29.503 30.300 -0.116 0.000 0.856 375 R HN 0.526 nan 8.270 nan 0.000 0.436 376 I N -0.369 120.021 120.570 -0.301 0.000 2.179 376 I HA -0.252 3.919 4.170 0.001 0.000 0.242 376 I C 2.139 178.184 176.117 -0.119 0.000 1.088 376 I CA 1.192 62.276 61.300 -0.360 0.000 1.357 376 I CB -0.449 37.018 38.000 -0.889 0.000 1.051 376 I HN -0.023 nan 8.210 nan 0.000 0.409 377 V N 1.004 120.911 119.914 -0.012 0.000 2.282 377 V HA -0.324 3.797 4.120 0.001 0.000 0.249 377 V C 2.642 178.685 176.094 -0.084 0.000 1.057 377 V CA 2.046 64.417 62.300 0.119 0.000 1.032 377 V CB -0.781 31.069 31.823 0.044 0.000 0.645 377 V HN 0.365 nan 8.190 nan 0.000 0.447 378 R N -0.165 120.232 120.500 -0.172 0.000 2.081 378 R HA -0.101 4.240 4.340 0.001 0.000 0.235 378 R C 2.356 178.569 176.300 -0.145 0.000 1.131 378 R CA 1.499 57.484 56.100 -0.191 0.000 0.960 378 R CB -0.606 29.598 30.300 -0.159 0.000 0.856 378 R HN 0.553 nan 8.270 nan 0.000 0.436 379 A N 0.231 122.983 122.820 -0.113 0.000 2.015 379 A HA -0.126 4.195 4.320 0.001 0.000 0.219 379 A C 2.036 179.588 177.584 -0.053 0.000 1.163 379 A CA 1.166 53.148 52.037 -0.092 0.000 0.646 379 A CB -0.303 18.632 19.000 -0.109 0.000 0.806 379 A HN 0.210 nan 8.150 nan 0.000 0.448 380 M N -1.146 118.454 119.600 -0.000 0.000 2.193 380 M HA -0.148 4.332 4.480 0.001 0.000 0.265 380 M C 2.337 178.693 176.300 0.093 0.000 1.071 380 M CA 1.284 56.653 55.300 0.116 0.000 1.140 380 M CB -0.349 32.444 32.600 0.321 0.000 1.369 380 M HN 0.456 nan 8.290 nan 0.000 0.423 381 Q N 0.352 120.067 119.800 -0.142 0.000 2.181 381 Q HA -0.186 4.155 4.340 0.001 0.000 0.205 381 Q C 1.262 177.185 176.000 -0.128 0.000 0.980 381 Q CA 1.053 56.652 55.803 -0.339 0.000 0.862 381 Q CB -0.214 28.132 28.738 -0.653 0.000 0.905 381 Q HN 0.503 nan 8.270 nan 0.000 0.429 382 D N 0.546 120.889 120.400 -0.096 0.000 2.269 382 D HA -0.090 4.551 4.640 0.001 0.000 0.208 382 D C 1.853 178.137 176.300 -0.026 0.000 0.963 382 D CA 0.916 54.879 54.000 -0.061 0.000 0.864 382 D CB 0.092 40.852 40.800 -0.065 0.000 0.936 382 D HN 0.482 nan 8.370 nan 0.000 0.505 383 I N -2.405 118.163 120.570 -0.004 0.000 3.708 383 I HA 0.082 4.253 4.170 0.001 0.000 0.302 383 I C 0.419 176.561 176.117 0.043 0.000 1.255 383 I CA -0.037 61.269 61.300 0.010 0.000 1.362 383 I CB 0.326 38.325 38.000 -0.002 0.000 1.100 383 I HN -0.357 nan 8.210 nan 0.000 0.434 384 V N 4.685 124.648 119.914 0.083 0.000 2.408 384 V HA 0.251 4.371 4.120 0.001 0.000 0.267 384 V C -0.482 175.672 176.094 0.100 0.000 1.047 384 V CA -0.278 62.096 62.300 0.123 0.000 0.937 384 V CB 0.145 32.113 31.823 0.242 0.000 0.999 384 V HN 0.655 nan 8.190 nan 0.000 0.472 385 N N 2.440 121.185 118.700 0.075 0.000 2.966 385 N HA 0.309 5.050 4.740 0.001 0.000 0.314 385 N C 0.948 176.492 175.510 0.058 0.000 1.397 385 N CA -0.263 52.822 53.050 0.058 0.000 0.776 385 N CB 0.829 39.339 38.487 0.038 0.000 1.576 385 N HN 0.318 nan 8.380 nan 0.000 0.592 386 S N -2.139 113.587 115.700 0.044 0.000 2.528 386 S HA -0.116 4.354 4.470 0.001 0.000 0.244 386 S C 0.089 174.710 174.600 0.035 0.000 0.982 386 S CA 0.869 59.092 58.200 0.037 0.000 0.953 386 S CB -0.524 62.692 63.200 0.027 0.000 0.754 386 S HN 0.583 nan 8.310 nan 0.000 0.529 387 D N 0.559 120.983 120.400 0.040 0.000 2.398 387 D HA 0.246 4.886 4.640 0.001 0.000 0.210 387 D C -0.253 176.080 176.300 0.055 0.000 1.094 387 D CA 0.179 54.205 54.000 0.042 0.000 0.839 387 D CB 0.967 41.791 40.800 0.040 0.000 0.963 387 D HN 0.290 nan 8.370 nan 0.000 0.506 388 V N 1.161 121.111 119.914 0.060 0.000 2.513 388 V HA 0.271 4.391 4.120 0.001 0.000 0.299 388 V C 0.460 176.595 176.094 0.069 0.000 1.035 388 V CA -0.516 61.827 62.300 0.072 0.000 0.889 388 V CB 2.046 33.914 31.823 0.075 0.000 0.988 388 V HN -0.137 nan 8.190 nan 0.000 0.440 389 T N 5.682 120.282 114.554 0.077 0.000 2.845 389 T HA 0.577 4.928 4.350 0.001 0.000 0.288 389 T C -0.570 174.167 174.700 0.062 0.000 0.980 389 T CA -0.088 62.050 62.100 0.063 0.000 1.071 389 T CB 1.048 69.961 68.868 0.075 0.000 0.941 389 T HN 0.446 nan 8.240 nan 0.000 0.487 390 L N 4.312 125.554 121.223 0.032 0.000 2.333 390 L HA 0.678 5.019 4.340 0.001 0.000 0.280 390 L C 0.028 176.909 176.870 0.019 0.000 1.004 390 L CA -0.232 54.616 54.840 0.013 0.000 0.820 390 L CB 1.708 43.736 42.059 -0.051 0.000 1.247 390 L HN 0.745 nan 8.230 nan 0.000 0.416 391 T N 2.231 116.828 114.554 0.072 0.000 2.829 391 T HA 0.799 5.150 4.350 0.001 0.000 0.280 391 T C -0.689 174.108 174.700 0.162 0.000 0.999 391 T CA -0.708 61.494 62.100 0.170 0.000 0.983 391 T CB 1.505 70.557 68.868 0.306 0.000 0.968 391 T HN 0.375 nan 8.240 nan 0.000 0.446 392 V N 3.251 123.306 119.914 0.235 0.000 2.487 392 V HA 0.431 4.552 4.120 0.001 0.000 0.298 392 V C 0.229 176.523 176.094 0.334 0.000 1.028 392 V CA -0.910 61.516 62.300 0.210 0.000 0.860 392 V CB 1.592 33.456 31.823 0.069 0.000 0.991 392 V HN 1.014 nan 8.190 nan 0.000 0.427 393 D N 2.230 122.834 120.400 0.340 0.000 2.440 393 D HA 0.356 4.997 4.640 0.001 0.000 0.269 393 D C -0.439 176.086 176.300 0.374 0.000 1.249 393 D CA -0.495 53.671 54.000 0.276 0.000 1.055 393 D CB 1.457 42.391 40.800 0.223 0.000 1.104 393 D HN 0.421 nan 8.370 nan 0.000 0.561 394 M N 0.022 119.709 119.600 0.144 0.000 2.268 394 M HA 0.491 4.972 4.480 0.001 0.000 0.344 394 M C -0.397 175.764 176.300 -0.232 0.000 1.106 394 M CA 0.000 55.184 55.300 -0.193 0.000 1.010 394 M CB 0.972 33.418 32.600 -0.256 0.000 1.649 394 M HN 0.411 nan 8.290 nan 0.000 0.443 395 G N 1.828 110.192 108.800 -0.727 0.000 2.320 395 G HA2 0.205 4.166 3.960 0.001 0.000 0.297 395 G HA3 0.205 4.166 3.960 0.001 0.000 0.297 395 G C -0.250 174.158 174.900 -0.820 0.000 1.344 395 G CA -0.279 44.460 45.100 -0.603 0.000 0.851 395 G HN 0.543 nan 8.290 nan 0.000 0.567 396 S N -0.469 114.984 115.700 -0.410 0.000 2.374 396 S HA -0.157 4.314 4.470 0.001 0.000 0.227 396 S C 2.185 176.694 174.600 -0.151 0.000 1.037 396 S CA 2.722 60.746 58.200 -0.294 0.000 1.024 396 S CB -0.607 62.310 63.200 -0.472 0.000 0.861 396 S HN 0.863 nan 8.310 nan 0.000 0.456 397 F N 1.381 121.305 119.950 -0.043 0.000 2.250 397 F HA -0.108 4.419 4.527 0.001 0.000 0.301 397 F C 1.994 177.643 175.800 -0.252 0.000 1.077 397 F CA 1.604 59.288 58.000 -0.528 0.000 1.348 397 F CB -1.225 36.892 39.000 -1.470 0.000 1.040 397 F HN 0.297 nan 8.300 nan 0.000 0.509 398 H N 0.463 118.881 119.070 -1.087 0.000 2.357 398 H HA -0.096 4.461 4.556 0.001 0.000 0.301 398 H C 2.069 177.251 175.328 -0.243 0.000 1.082 398 H CA 2.144 57.841 56.048 -0.586 0.000 1.342 398 H CB 0.005 29.337 29.762 -0.716 0.000 1.389 398 H HN 0.188 nan 8.280 nan 0.000 0.511 399 I N -0.343 120.193 120.570 -0.057 0.000 2.226 399 I HA -0.269 3.901 4.170 0.001 0.000 0.245 399 I C 1.837 178.039 176.117 0.141 0.000 1.100 399 I CA 0.954 62.247 61.300 -0.011 0.000 1.374 399 I CB -1.534 36.377 38.000 -0.149 0.000 1.057 399 I HN 0.462 nan 8.210 nan 0.000 0.413 400 W N 1.369 122.761 121.300 0.153 0.000 2.355 400 W HA -0.144 4.516 4.660 0.001 0.000 0.309 400 W C 2.652 179.397 176.519 0.376 0.000 1.206 400 W CA 0.943 58.476 57.345 0.313 0.000 1.284 400 W CB -0.623 29.042 29.460 0.342 0.000 1.145 400 W HN -0.007 nan 8.180 nan 0.000 0.502 401 I N -0.049 120.784 120.570 0.438 0.000 2.286 401 I HA -0.289 3.882 4.170 0.001 0.000 0.248 401 I C 2.492 178.784 176.117 0.291 0.000 1.115 401 I CA 1.305 62.816 61.300 0.350 0.000 1.392 401 I CB -0.890 37.139 38.000 0.048 0.000 1.065 401 I HN -0.022 nan 8.210 nan 0.000 0.418 402 A N 0.750 123.688 122.820 0.196 0.000 1.969 402 A HA -0.213 4.107 4.320 0.001 0.000 0.218 402 A C 2.312 180.168 177.584 0.454 0.000 1.169 402 A CA 1.488 53.703 52.037 0.296 0.000 0.635 402 A CB -0.444 18.668 19.000 0.186 0.000 0.810 402 A HN 0.280 nan 8.150 nan 0.000 0.445 403 R N -0.992 119.734 120.500 0.378 0.000 2.096 403 R HA -0.129 4.212 4.340 0.001 0.000 0.235 403 R C 0.544 176.771 176.300 -0.122 0.000 1.127 403 R CA 1.691 57.685 56.100 -0.177 0.000 0.968 403 R CB -0.648 29.500 30.300 -0.253 0.000 0.861 403 R HN 0.559 nan 8.270 nan 0.000 0.440 404 Y N -0.270 120.143 120.300 0.189 0.000 2.607 404 Y HA 0.276 4.827 4.550 0.001 0.000 0.266 404 Y C 1.271 177.183 175.900 0.020 0.000 1.178 404 Y CA -0.441 57.669 58.100 0.017 0.000 1.226 404 Y CB 0.086 38.554 38.460 0.013 0.000 1.144 404 Y HN -0.033 nan 8.280 nan 0.000 0.528 405 L N -0.245 121.182 121.223 0.340 0.000 2.081 405 L HA -0.322 4.019 4.340 0.001 0.000 0.212 405 L C 2.489 179.517 176.870 0.264 0.000 1.080 405 L CA 1.899 56.951 54.840 0.354 0.000 0.754 405 L CB -0.492 41.744 42.059 0.295 0.000 0.893 405 L HN 0.547 nan 8.230 nan 0.000 0.433 406 Y N -0.439 120.017 120.300 0.259 0.000 2.298 406 Y HA -0.226 4.325 4.550 0.001 0.000 0.287 406 Y C 2.190 178.191 175.900 0.168 0.000 1.164 406 Y CA 1.438 59.660 58.100 0.205 0.000 1.229 406 Y CB -1.559 36.999 38.460 0.164 0.000 0.977 406 Y HN 0.155 nan 8.280 nan 0.000 0.538 407 T N -2.984 111.267 114.554 -0.506 0.000 3.069 407 T HA 0.213 4.564 4.350 0.001 0.000 0.252 407 T C -0.073 174.504 174.700 -0.204 0.000 1.053 407 T CA -0.460 61.440 62.100 -0.333 0.000 0.964 407 T CB -0.575 67.981 68.868 -0.520 0.000 1.005 407 T HN 0.120 nan 8.240 nan 0.000 0.532 408 F N 3.239 123.146 119.950 -0.071 0.000 2.399 408 F HA 0.455 4.983 4.527 0.002 0.000 0.342 408 F C 0.864 176.662 175.800 -0.002 0.000 1.106 408 F CA -1.048 56.942 58.000 -0.017 0.000 1.196 408 F CB 0.917 39.922 39.000 0.010 0.000 1.163 408 F HN -0.012 nan 8.300 nan 0.000 0.547 409 R N 2.023 122.631 120.500 0.180 0.000 2.651 409 R HA 0.710 5.051 4.340 0.001 0.000 0.282 409 R C -1.006 175.360 176.300 0.110 0.000 1.565 409 R CA -0.486 55.679 56.100 0.108 0.000 1.661 409 R CB 0.613 30.947 30.300 0.056 0.000 1.189 409 R HN 0.493 nan 8.270 nan 0.000 0.621 410 A N 1.291 124.181 122.820 0.118 0.000 2.294 410 A HA 0.442 4.763 4.320 0.001 0.000 0.330 410 A C 0.903 178.515 177.584 0.047 0.000 1.133 410 A CA -0.944 51.144 52.037 0.086 0.000 0.836 410 A CB 1.085 20.134 19.000 0.082 0.000 1.190 410 A HN 0.732 nan 8.150 nan 0.000 0.492 411 R N -0.225 120.299 120.500 0.040 0.000 2.083 411 R HA -0.136 4.205 4.340 0.001 0.000 0.237 411 R C 0.587 176.893 176.300 0.009 0.000 1.137 411 R CA 2.206 58.320 56.100 0.024 0.000 0.951 411 R CB 0.010 30.327 30.300 0.029 0.000 0.851 411 R HN 0.799 nan 8.270 nan 0.000 0.434 412 Q N -0.804 119.001 119.800 0.008 0.000 2.426 412 Q HA 0.358 4.699 4.340 0.001 0.000 0.278 412 Q C -2.078 173.910 176.000 -0.021 0.000 1.007 412 Q CA -0.822 54.973 55.803 -0.013 0.000 0.850 412 Q CB 2.577 31.302 28.738 -0.022 0.000 1.427 412 Q HN 0.052 nan 8.270 nan 0.000 0.391 413 V N 3.866 123.754 119.914 -0.042 0.000 2.443 413 V HA 0.437 4.558 4.120 0.001 0.000 0.293 413 V C -0.485 175.556 176.094 -0.088 0.000 1.021 413 V CA -0.476 61.789 62.300 -0.059 0.000 0.848 413 V CB 1.677 33.462 31.823 -0.063 0.000 0.998 413 V HN 0.841 nan 8.190 nan 0.000 0.424 414 M N 5.727 125.260 119.600 -0.112 0.000 2.069 414 M HA 0.501 4.982 4.480 0.001 0.000 0.349 414 M C 0.437 176.688 176.300 -0.083 0.000 1.194 414 M CA 0.127 55.274 55.300 -0.255 0.000 1.081 414 M CB 1.319 33.628 32.600 -0.484 0.000 1.500 414 M HN 0.762 nan 8.290 nan 0.000 0.438 415 I N 0.183 120.737 120.570 -0.026 0.000 4.881 415 I HA 0.121 4.292 4.170 0.001 0.000 0.319 415 I C 0.733 177.000 176.117 0.251 0.000 1.205 415 I CA 0.251 61.639 61.300 0.146 0.000 1.368 415 I CB 0.874 38.884 38.000 0.016 0.000 1.484 415 I HN 0.557 nan 8.210 nan 0.000 0.486 416 S N 2.443 118.237 115.700 0.156 0.000 2.593 416 S HA -0.044 4.427 4.470 0.001 0.000 0.300 416 S C 0.098 174.828 174.600 0.216 0.000 1.267 416 S CA 0.590 58.897 58.200 0.178 0.000 1.065 416 S CB -0.272 63.004 63.200 0.128 0.000 0.807 416 S HN 0.508 nan 8.310 nan 0.000 0.499 417 N N 3.131 121.924 118.700 0.154 0.000 2.785 417 N HA 0.214 4.955 4.740 0.001 0.000 0.224 417 N C 0.723 176.240 175.510 0.011 0.000 1.448 417 N CA 0.221 53.345 53.050 0.124 0.000 0.748 417 N CB 0.190 38.731 38.487 0.090 0.000 1.385 417 N HN 0.631 nan 8.380 nan 0.000 0.538 418 G N 0.522 109.344 108.800 0.036 0.000 2.442 418 G HA2 -0.249 3.712 3.960 0.001 0.000 0.219 418 G HA3 -0.249 3.712 3.960 0.001 0.000 0.219 418 G C 1.008 175.893 174.900 -0.024 0.000 1.141 418 G CA 0.784 45.886 45.100 0.004 0.000 0.763 418 G HN 0.424 nan 8.290 nan 0.000 0.554 419 Q N -0.323 119.470 119.800 -0.010 0.000 2.435 419 Q HA 0.030 4.371 4.340 0.001 0.000 0.207 419 Q C 0.908 176.868 176.000 -0.067 0.000 0.956 419 Q CA 0.417 56.203 55.803 -0.027 0.000 0.917 419 Q CB 0.066 28.805 28.738 0.001 0.000 0.997 419 Q HN 0.692 nan 8.270 nan 0.000 0.497 420 Q N 0.119 119.861 119.800 -0.097 0.000 2.487 420 Q HA -0.125 4.216 4.340 0.001 0.000 0.279 420 Q C -0.800 175.112 176.000 -0.146 0.000 1.228 420 Q CA 0.554 56.258 55.803 -0.165 0.000 0.873 420 Q CB -2.283 26.346 28.738 -0.180 0.000 1.260 420 Q HN 0.221 nan 8.270 nan 0.000 0.471 421 T N 1.885 116.371 114.554 -0.115 0.000 2.769 421 T HA 0.289 4.640 4.350 0.001 0.000 0.293 421 T C 0.731 175.314 174.700 -0.195 0.000 0.931 421 T CA -0.082 61.948 62.100 -0.117 0.000 1.139 421 T CB 0.180 69.014 68.868 -0.056 0.000 0.881 421 T HN 0.276 nan 8.240 nan 0.000 0.532 422 M N 1.642 121.149 119.600 -0.154 0.000 2.228 422 M HA 0.573 5.053 4.480 0.001 0.000 0.326 422 M C 1.171 177.342 176.300 -0.216 0.000 1.122 422 M CA 0.183 55.399 55.300 -0.141 0.000 1.161 422 M CB 0.335 32.900 32.600 -0.059 0.000 1.437 422 M HN 0.723 nan 8.290 nan 0.000 0.465 423 G N 0.927 109.592 108.800 -0.224 0.000 2.195 423 G HA2 -0.279 3.682 3.960 0.001 0.000 0.246 423 G HA3 -0.279 3.682 3.960 0.001 0.000 0.246 423 G C 0.477 175.020 174.900 -0.595 0.000 0.984 423 G CA 0.707 45.629 45.100 -0.296 0.000 0.633 423 G HN 1.275 nan 8.290 nan 0.000 0.525 424 V N -1.203 118.150 119.914 -0.935 0.000 2.427 424 V HA 0.255 4.376 4.120 0.001 0.000 0.248 424 V C 2.974 178.422 176.094 -1.077 0.000 1.051 424 V CA 2.225 63.563 62.300 -1.604 0.000 1.048 424 V CB -1.440 29.037 31.823 -2.243 0.000 0.666 424 V HN 1.532 nan 8.190 nan 0.000 0.456 425 A N 1.305 123.836 122.820 -0.482 0.000 1.859 425 A HA -0.254 4.067 4.320 0.001 0.000 0.218 425 A C 2.241 179.875 177.584 0.083 0.000 1.209 425 A CA 2.671 54.687 52.037 -0.034 0.000 0.639 425 A CB -0.995 18.061 19.000 0.094 0.000 0.835 425 A HN 0.646 nan 8.150 nan 0.000 0.450 426 L N 0.924 122.186 121.223 0.065 0.000 1.989 426 L HA -0.087 4.253 4.340 0.001 0.000 0.211 426 L C -0.444 176.457 176.870 0.053 0.000 1.071 426 L CA 2.870 57.753 54.840 0.071 0.000 0.749 426 L CB -1.234 40.760 42.059 -0.108 0.000 0.890 426 L HN 0.273 nan 8.230 nan 0.000 0.431 427 P HA -0.195 nan 4.420 nan 0.000 0.217 427 P C 1.372 178.777 177.300 0.175 0.000 1.150 427 P CA 1.568 64.701 63.100 0.056 0.000 0.832 427 P CB -0.430 31.315 31.700 0.074 0.000 0.787 428 W N 0.946 122.251 121.300 0.009 0.000 2.338 428 W HA -0.017 4.644 4.660 0.001 0.000 0.304 428 W C 2.786 179.341 176.519 0.059 0.000 1.212 428 W CA 1.175 58.535 57.345 0.024 0.000 1.264 428 W CB -1.760 27.700 29.460 -0.001 0.000 1.142 428 W HN 0.009 nan 8.180 nan 0.000 0.512 429 A N 0.031 123.042 122.820 0.318 0.000 1.902 429 A HA -0.178 4.143 4.320 0.001 0.000 0.217 429 A C 2.059 179.797 177.584 0.257 0.000 1.181 429 A CA 1.898 54.083 52.037 0.246 0.000 0.623 429 A CB -0.979 18.145 19.000 0.207 0.000 0.818 429 A HN 0.218 nan 8.150 nan 0.000 0.443 430 I N -0.354 120.350 120.570 0.224 0.000 2.226 430 I HA -0.212 3.959 4.170 0.001 0.000 0.245 430 I C 2.704 179.022 176.117 0.335 0.000 1.100 430 I CA 1.192 62.651 61.300 0.264 0.000 1.374 430 I CB -0.663 37.448 38.000 0.185 0.000 1.057 430 I HN 0.404 nan 8.210 nan 0.000 0.413 431 G N 0.411 109.344 108.800 0.221 0.000 2.418 431 G HA2 -0.212 3.749 3.960 0.001 0.000 0.217 431 G HA3 -0.212 3.749 3.960 0.001 0.000 0.217 431 G C 1.867 176.905 174.900 0.229 0.000 1.158 431 G CA 0.803 46.022 45.100 0.199 0.000 0.771 431 G HN 0.489 nan 8.290 nan 0.000 0.545 432 A N 0.041 122.986 122.820 0.208 0.000 1.902 432 A HA -0.065 4.255 4.320 0.001 0.000 0.217 432 A C 2.157 179.853 177.584 0.187 0.000 1.181 432 A CA 1.616 53.748 52.037 0.160 0.000 0.623 432 A CB -0.778 18.305 19.000 0.138 0.000 0.818 432 A HN 0.570 nan 8.150 nan 0.000 0.443 433 W N 0.666 122.027 121.300 0.101 0.000 2.363 433 W HA -0.132 4.528 4.660 0.001 0.000 0.296 433 W C 1.588 178.168 176.519 0.102 0.000 1.212 433 W CA 1.748 59.150 57.345 0.094 0.000 1.260 433 W CB -0.293 29.226 29.460 0.098 0.000 1.131 433 W HN 0.247 nan 8.180 nan 0.000 0.530 434 L N -0.058 121.213 121.223 0.081 0.000 2.191 434 L HA -0.219 4.122 4.340 0.001 0.000 0.212 434 L C 2.115 178.884 176.870 -0.168 0.000 1.103 434 L CA 0.869 55.638 54.840 -0.118 0.000 0.769 434 L CB -0.855 41.334 42.059 0.216 0.000 0.908 434 L HN -0.113 nan 8.230 nan 0.000 0.438 435 V N -0.673 119.198 119.914 -0.073 0.000 2.488 435 V HA -0.154 3.967 4.120 0.001 0.000 0.246 435 V C 0.255 176.271 176.094 -0.130 0.000 1.046 435 V CA 1.345 63.608 62.300 -0.062 0.000 1.053 435 V CB -0.483 31.340 31.823 -0.000 0.000 0.679 435 V HN 0.529 nan 8.190 nan 0.000 0.458 436 N N -0.507 118.079 118.700 -0.189 0.000 2.750 436 N HA 0.275 5.016 4.740 0.001 0.000 0.253 436 N C -2.484 172.811 175.510 -0.358 0.000 1.408 436 N CA -0.939 51.995 53.050 -0.193 0.000 0.780 436 N CB 1.796 40.233 38.487 -0.084 0.000 1.191 436 N HN 0.116 nan 8.380 nan 0.000 0.511 437 P HA -0.222 nan 4.420 nan 0.000 0.221 437 P C 1.179 178.342 177.300 -0.228 0.000 1.145 437 P CA 1.113 63.640 63.100 -0.955 0.000 0.795 437 P CB 0.260 31.483 31.700 -0.796 0.000 0.775 438 E N -0.108 120.031 120.200 -0.102 0.000 2.427 438 E HA -0.067 4.284 4.350 0.001 0.000 0.196 438 E C 0.598 177.254 176.600 0.094 0.000 1.028 438 E CA 0.671 57.091 56.400 0.033 0.000 0.864 438 E CB -0.232 29.472 29.700 0.006 0.000 0.813 438 E HN 0.298 nan 8.360 nan 0.000 0.514 439 R N 0.699 121.256 120.500 0.094 0.000 2.674 439 R HA 0.454 4.794 4.340 0.001 0.000 0.266 439 R C -0.099 176.356 176.300 0.259 0.000 1.016 439 R CA -0.812 55.370 56.100 0.137 0.000 1.062 439 R CB 1.337 31.689 30.300 0.087 0.000 1.142 439 R HN -0.085 nan 8.270 nan 0.000 0.517 440 K N 0.623 121.141 120.400 0.197 0.000 2.110 440 K HA 0.387 4.708 4.320 0.001 0.000 0.263 440 K C -1.139 175.570 176.600 0.183 0.000 0.975 440 K CA -0.480 55.925 56.287 0.195 0.000 0.895 440 K CB 1.361 33.931 32.500 0.117 0.000 1.060 440 K HN 0.268 nan 8.250 nan 0.000 0.448 441 V N 3.680 123.698 119.914 0.174 0.000 2.656 441 V HA 0.416 4.537 4.120 0.001 0.000 0.307 441 V C -0.988 175.165 176.094 0.099 0.000 1.051 441 V CA -0.983 61.408 62.300 0.151 0.000 0.893 441 V CB 1.849 33.795 31.823 0.206 0.000 0.999 441 V HN 0.589 nan 8.190 nan 0.000 0.426 442 V N 3.705 123.668 119.914 0.082 0.000 2.448 442 V HA 0.674 4.794 4.120 0.001 0.000 0.295 442 V C 0.016 176.135 176.094 0.042 0.000 1.025 442 V CA -0.335 61.995 62.300 0.050 0.000 0.859 442 V CB 2.051 33.900 31.823 0.043 0.000 0.988 442 V HN 1.025 nan 8.190 nan 0.000 0.431 443 S N 3.897 119.604 115.700 0.013 0.000 2.513 443 S HA 0.846 5.317 4.470 0.001 0.000 0.299 443 S C -0.918 173.516 174.600 -0.277 0.000 1.087 443 S CA -0.804 57.390 58.200 -0.009 0.000 1.012 443 S CB 2.056 65.357 63.200 0.169 0.000 1.044 443 S HN 0.752 nan 8.310 nan 0.000 0.485 444 V N 2.180 121.940 119.914 -0.255 0.000 2.656 444 V HA 0.910 5.031 4.120 0.001 0.000 0.307 444 V C -0.552 175.235 176.094 -0.512 0.000 1.051 444 V CA 0.249 62.295 62.300 -0.423 0.000 0.893 444 V CB 1.697 33.389 31.823 -0.218 0.000 0.999 444 V HN 1.493 nan 8.190 nan 0.000 0.426 445 S N 4.254 119.517 115.700 -0.728 0.000 2.705 445 S HA 0.892 5.362 4.470 0.001 0.000 0.280 445 S C -0.079 173.937 174.600 -0.974 0.000 1.174 445 S CA -0.203 57.515 58.200 -0.804 0.000 0.823 445 S CB 1.344 64.514 63.200 -0.050 0.000 1.162 445 S HN 1.448 nan 8.310 nan 0.000 0.487 446 G N -0.190 108.253 108.800 -0.594 0.000 2.537 446 G HA2 0.462 4.423 3.960 0.001 0.000 0.297 446 G HA3 0.462 4.423 3.960 0.001 0.000 0.297 446 G C -0.030 174.908 174.900 0.064 0.000 1.310 446 G CA -0.196 44.855 45.100 -0.082 0.000 1.027 446 G HN 0.779 nan 8.290 nan 0.000 0.505 447 D N -0.961 119.541 120.400 0.170 0.000 2.183 447 D HA -0.009 4.632 4.640 0.001 0.000 0.203 447 D C 2.170 178.643 176.300 0.288 0.000 0.969 447 D CA 1.131 55.247 54.000 0.193 0.000 0.842 447 D CB -0.669 40.350 40.800 0.365 0.000 0.957 447 D HN 0.460 nan 8.370 nan 0.000 0.484 448 G N 0.644 109.691 108.800 0.412 0.000 2.414 448 G HA2 -0.126 3.835 3.960 0.001 0.000 0.215 448 G HA3 -0.126 3.835 3.960 0.001 0.000 0.215 448 G C 1.730 176.800 174.900 0.283 0.000 1.188 448 G CA 0.810 46.177 45.100 0.446 0.000 0.783 448 G HN 0.442 nan 8.290 nan 0.000 0.537 449 G N 0.317 109.271 108.800 0.256 0.000 2.422 449 G HA2 -0.182 3.779 3.960 0.001 0.000 0.218 449 G HA3 -0.182 3.779 3.960 0.001 0.000 0.218 449 G C 1.619 176.566 174.900 0.080 0.000 1.146 449 G CA 0.931 46.109 45.100 0.131 0.000 0.769 449 G HN 0.332 nan 8.290 nan 0.000 0.547 450 F N 1.318 121.251 119.950 -0.028 0.000 2.091 450 F HA -0.042 4.486 4.527 0.001 0.000 0.299 450 F C 2.292 178.032 175.800 -0.099 0.000 1.103 450 F CA 1.250 59.190 58.000 -0.100 0.000 1.228 450 F CB -0.271 38.642 39.000 -0.146 0.000 0.984 450 F HN 0.034 nan 8.300 nan 0.000 0.477 451 L N -0.091 121.011 121.223 -0.202 0.000 2.376 451 L HA -0.147 4.193 4.340 0.001 0.000 0.219 451 L C 2.221 178.968 176.870 -0.206 0.000 1.133 451 L CA 0.854 55.521 54.840 -0.289 0.000 0.816 451 L CB -0.659 41.316 42.059 -0.139 0.000 0.933 451 L HN 0.329 nan 8.230 nan 0.000 0.449 452 Q N -0.596 119.114 119.800 -0.149 0.000 2.311 452 Q HA -0.085 4.256 4.340 0.001 0.000 0.203 452 Q C 1.638 177.531 176.000 -0.178 0.000 0.954 452 Q CA 1.539 57.261 55.803 -0.135 0.000 0.885 452 Q CB 0.276 28.958 28.738 -0.093 0.000 0.963 452 Q HN 0.529 nan 8.270 nan 0.000 0.471 453 S N -1.773 113.795 115.700 -0.221 0.000 2.900 453 S HA 0.060 4.530 4.470 0.001 0.000 0.253 453 S C 1.380 175.817 174.600 -0.271 0.000 1.029 453 S CA 0.127 58.209 58.200 -0.198 0.000 1.096 453 S CB 0.349 63.453 63.200 -0.159 0.000 1.067 453 S HN 0.205 nan 8.310 nan 0.000 0.610 454 S N 2.878 118.306 115.700 -0.453 0.000 2.469 454 S HA -0.113 4.358 4.470 0.001 0.000 0.238 454 S C 2.155 176.590 174.600 -0.275 0.000 0.998 454 S CA 0.775 58.617 58.200 -0.597 0.000 0.957 454 S CB -0.828 61.689 63.200 -1.138 0.000 0.764 454 S HN 0.705 nan 8.310 nan 0.000 0.514 455 M N 0.631 120.183 119.600 -0.080 0.000 2.446 455 M HA 0.062 4.542 4.480 0.001 0.000 0.263 455 M C 0.762 177.081 176.300 0.032 0.000 1.066 455 M CA 1.427 56.780 55.300 0.089 0.000 1.087 455 M CB -1.197 31.472 32.600 0.114 0.000 1.406 455 M HN 0.092 nan 8.290 nan 0.000 0.459 456 E N 1.383 121.543 120.200 -0.066 0.000 2.511 456 E HA 0.157 4.508 4.350 0.001 0.000 0.196 456 E C 2.140 178.666 176.600 -0.124 0.000 1.066 456 E CA 0.230 56.606 56.400 -0.040 0.000 0.871 456 E CB -0.456 29.234 29.700 -0.016 0.000 0.863 456 E HN 0.624 nan 8.360 nan 0.000 0.520 457 L N 0.675 121.690 121.223 -0.346 0.000 2.141 457 L HA -0.129 4.212 4.340 0.001 0.000 0.209 457 L C 2.528 179.249 176.870 -0.248 0.000 1.094 457 L CA 0.978 55.518 54.840 -0.499 0.000 0.763 457 L CB -0.175 41.163 42.059 -1.201 0.000 0.908 457 L HN 0.100 nan 8.230 nan 0.000 0.437 458 E N 0.119 120.318 120.200 -0.003 0.000 2.077 458 E HA -0.188 4.163 4.350 0.001 0.000 0.193 458 E C 1.917 178.585 176.600 0.114 0.000 0.989 458 E CA 1.867 58.417 56.400 0.249 0.000 0.800 458 E CB 0.050 29.949 29.700 0.331 0.000 0.746 458 E HN 0.386 nan 8.360 nan 0.000 0.452 459 T N 1.011 115.615 114.554 0.084 0.000 2.746 459 T HA -0.096 4.255 4.350 0.001 0.000 0.267 459 T C 1.911 176.652 174.700 0.068 0.000 1.039 459 T CA 1.662 63.819 62.100 0.095 0.000 1.142 459 T CB -0.333 68.605 68.868 0.117 0.000 0.866 459 T HN 0.330 nan 8.240 nan 0.000 0.444 460 A N 0.964 123.791 122.820 0.012 0.000 1.902 460 A HA -0.046 4.274 4.320 0.001 0.000 0.217 460 A C 2.598 180.148 177.584 -0.057 0.000 1.181 460 A CA 1.351 53.361 52.037 -0.045 0.000 0.623 460 A CB -1.027 17.919 19.000 -0.088 0.000 0.818 460 A HN 0.352 nan 8.150 nan 0.000 0.443 461 V N 0.104 120.009 119.914 -0.015 0.000 2.343 461 V HA -0.255 3.865 4.120 0.001 0.000 0.247 461 V C 2.665 178.774 176.094 0.026 0.000 1.051 461 V CA 2.322 64.627 62.300 0.008 0.000 1.036 461 V CB -0.811 31.048 31.823 0.060 0.000 0.654 461 V HN 0.723 nan 8.190 nan 0.000 0.451 462 R N -0.086 120.445 120.500 0.052 0.000 2.120 462 R HA -0.097 4.244 4.340 0.001 0.000 0.234 462 R C 2.016 178.363 176.300 0.079 0.000 1.123 462 R CA 1.593 57.733 56.100 0.068 0.000 0.975 462 R CB -0.193 30.157 30.300 0.083 0.000 0.866 462 R HN 0.471 nan 8.270 nan 0.000 0.446 463 L N 0.330 121.600 121.223 0.078 0.000 2.529 463 L HA 0.143 4.484 4.340 0.001 0.000 0.223 463 L C 0.339 177.245 176.870 0.061 0.000 1.113 463 L CA 0.272 55.192 54.840 0.134 0.000 0.861 463 L CB 0.071 42.258 42.059 0.213 0.000 1.012 463 L HN 0.157 nan 8.230 nan 0.000 0.461 464 K N -0.074 120.292 120.400 -0.057 0.000 3.125 464 K HA -0.169 4.152 4.320 0.001 0.000 0.268 464 K C 0.265 176.579 176.600 -0.477 0.000 1.078 464 K CA 0.318 56.529 56.287 -0.126 0.000 0.775 464 K CB -1.724 30.786 32.500 0.016 0.000 1.253 464 K HN 0.334 nan 8.250 nan 0.000 0.486 465 A N 1.473 123.821 122.820 -0.786 0.000 2.492 465 A HA 0.119 4.440 4.320 0.001 0.000 0.254 465 A C 0.548 177.429 177.584 -1.171 0.000 1.091 465 A CA -0.002 50.984 52.037 -1.752 0.000 0.768 465 A CB 0.165 18.616 19.000 -0.916 0.000 1.028 465 A HN 0.370 nan 8.150 nan 0.000 0.498 466 N N 2.570 120.416 118.700 -1.423 0.000 3.103 466 N HA 0.265 5.005 4.740 0.001 0.000 0.305 466 N C -0.995 174.335 175.510 -0.300 0.000 1.232 466 N CA 0.207 52.976 53.050 -0.469 0.000 1.190 466 N CB -0.242 38.232 38.487 -0.022 0.000 1.461 466 N HN 0.276 nan 8.380 nan 0.000 0.538 467 V N 2.550 122.309 119.914 -0.258 0.000 2.495 467 V HA 0.398 4.519 4.120 0.001 0.000 0.298 467 V C -0.390 175.700 176.094 -0.007 0.000 1.031 467 V CA -1.052 61.199 62.300 -0.081 0.000 0.871 467 V CB 1.634 33.421 31.823 -0.061 0.000 0.988 467 V HN 0.267 nan 8.190 nan 0.000 0.432 468 L N 4.887 126.130 121.223 0.033 0.000 2.276 468 L HA 0.587 4.927 4.340 0.001 0.000 0.286 468 L C -0.580 176.326 176.870 0.060 0.000 1.024 468 L CA -0.097 54.769 54.840 0.043 0.000 0.826 468 L CB 0.918 42.983 42.059 0.011 0.000 1.211 468 L HN 0.757 nan 8.230 nan 0.000 0.422 469 H N 4.752 123.822 119.070 -0.001 0.000 2.488 469 H HA 0.611 5.168 4.556 0.001 0.000 0.322 469 H C -1.251 174.036 175.328 -0.069 0.000 1.078 469 H CA -0.360 55.676 56.048 -0.020 0.000 1.260 469 H CB 0.961 30.725 29.762 0.004 0.000 1.425 469 H HN 0.665 nan 8.280 nan 0.000 0.471 470 L N 6.984 127.913 121.223 -0.490 0.000 2.296 470 L HA 0.407 4.748 4.340 0.001 0.000 0.286 470 L C -0.505 176.135 176.870 -0.383 0.000 1.023 470 L CA -0.668 53.994 54.840 -0.297 0.000 0.812 470 L CB 1.575 43.555 42.059 -0.132 0.000 1.223 470 L HN 0.595 nan 8.230 nan 0.000 0.421 471 I N 1.489 121.885 120.570 -0.289 0.000 2.355 471 I HA 0.214 4.385 4.170 0.001 0.000 0.288 471 I C -0.977 175.053 176.117 -0.145 0.000 0.999 471 I CA -0.422 60.676 61.300 -0.337 0.000 1.163 471 I CB 1.300 38.864 38.000 -0.725 0.000 1.316 471 I HN 0.489 nan 8.210 nan 0.000 0.454 472 W N 6.444 127.511 121.300 -0.389 0.000 2.437 472 W HA 0.367 5.028 4.660 0.002 0.000 0.312 472 W C -0.299 176.093 176.519 -0.210 0.000 1.242 472 W CA -0.556 56.629 57.345 -0.267 0.000 1.340 472 W CB 0.612 29.972 29.460 -0.167 0.000 1.327 472 W HN 0.083 nan 8.180 nan 0.000 0.476 473 V N 5.588 125.471 119.914 -0.052 0.000 2.383 473 V HA 0.184 4.305 4.120 0.001 0.000 0.275 473 V C 0.551 176.625 176.094 -0.034 0.000 1.036 473 V CA -0.363 61.935 62.300 -0.004 0.000 0.889 473 V CB 1.466 33.310 31.823 0.036 0.000 0.985 473 V HN 0.630 nan 8.190 nan 0.000 0.459 474 D N 2.523 122.953 120.400 0.050 0.000 2.516 474 D HA 0.010 4.650 4.640 0.001 0.000 0.241 474 D C 0.390 176.678 176.300 -0.019 0.000 1.246 474 D CA -0.173 53.828 54.000 0.002 0.000 0.808 474 D CB -0.279 40.602 40.800 0.135 0.000 1.147 474 D HN 0.639 nan 8.370 nan 0.000 0.527 475 N N 0.209 118.928 118.700 0.032 0.000 2.754 475 N HA -0.095 4.646 4.740 0.001 0.000 0.248 475 N C 0.110 175.123 175.510 -0.827 0.000 1.093 475 N CA 0.572 53.568 53.050 -0.090 0.000 0.699 475 N CB -0.964 37.504 38.487 -0.032 0.000 1.016 475 N HN 0.599 nan 8.380 nan 0.000 0.552 476 G N -1.093 107.107 108.800 -0.999 0.000 2.488 476 G HA2 0.393 4.354 3.960 0.001 0.000 0.301 476 G HA3 0.393 4.354 3.960 0.001 0.000 0.301 476 G C -1.772 172.819 174.900 -0.514 0.000 1.339 476 G CA -0.920 43.419 45.100 -1.269 0.000 0.803 476 G HN 0.175 nan 8.290 nan 0.000 0.482 477 Y N 2.169 122.390 120.300 -0.132 0.000 2.907 477 Y HA 0.235 4.786 4.550 0.002 0.000 0.332 477 Y C 1.843 177.750 175.900 0.013 0.000 1.211 477 Y CA -0.689 57.455 58.100 0.073 0.000 1.387 477 Y CB 0.694 39.221 38.460 0.111 0.000 1.396 477 Y HN 0.608 nan 8.280 nan 0.000 0.519 478 N N 2.104 120.891 118.700 0.145 0.000 2.069 478 N HA -0.240 4.500 4.740 0.001 0.000 0.191 478 N C 1.970 177.442 175.510 -0.063 0.000 1.031 478 N CA 1.514 54.569 53.050 0.009 0.000 0.852 478 N CB 0.071 38.482 38.487 -0.126 0.000 1.018 478 N HN 0.683 nan 8.380 nan 0.000 0.423 479 M N 0.565 120.123 119.600 -0.070 0.000 2.195 479 M HA -0.145 4.336 4.480 0.001 0.000 0.260 479 M C 1.584 177.839 176.300 -0.075 0.000 1.066 479 M CA 1.298 56.527 55.300 -0.119 0.000 1.089 479 M CB 0.218 32.726 32.600 -0.154 0.000 1.377 479 M HN -0.014 nan 8.290 nan 0.000 0.411 480 V N -0.189 119.716 119.914 -0.014 0.000 2.599 480 V HA -0.035 4.085 4.120 0.001 0.000 0.245 480 V C 2.554 178.660 176.094 0.020 0.000 1.046 480 V CA 1.296 63.595 62.300 -0.001 0.000 1.065 480 V CB -1.003 30.832 31.823 0.021 0.000 0.703 480 V HN 0.588 nan 8.190 nan 0.000 0.464 481 A N 1.441 124.284 122.820 0.037 0.000 1.908 481 A HA -0.221 4.099 4.320 0.001 0.000 0.218 481 A C 2.151 179.739 177.584 0.006 0.000 1.181 481 A CA 2.254 54.312 52.037 0.035 0.000 0.627 481 A CB -0.646 18.373 19.000 0.031 0.000 0.818 481 A HN 0.690 nan 8.150 nan 0.000 0.445 482 I N -3.016 117.538 120.570 -0.026 0.000 2.493 482 I HA -0.238 3.933 4.170 0.001 0.000 0.254 482 I C 2.133 178.215 176.117 -0.059 0.000 1.160 482 I CA 1.767 63.043 61.300 -0.040 0.000 1.445 482 I CB -0.641 37.323 38.000 -0.060 0.000 1.086 482 I HN 0.328 nan 8.210 nan 0.000 0.433 483 Q N 1.393 121.154 119.800 -0.066 0.000 2.123 483 Q HA -0.133 4.207 4.340 0.001 0.000 0.199 483 Q C 2.070 177.986 176.000 -0.140 0.000 0.966 483 Q CA 1.581 57.326 55.803 -0.096 0.000 0.845 483 Q CB -0.075 28.615 28.738 -0.080 0.000 0.907 483 Q HN 0.659 nan 8.270 nan 0.000 0.439 484 E N 0.661 120.827 120.200 -0.057 0.000 2.072 484 E HA -0.206 4.145 4.350 0.001 0.000 0.191 484 E C 1.862 178.421 176.600 -0.068 0.000 0.985 484 E CA 0.884 57.280 56.400 -0.007 0.000 0.801 484 E CB 0.058 29.876 29.700 0.197 0.000 0.750 484 E HN 0.191 nan 8.360 nan 0.000 0.452 485 E N 2.038 122.221 120.200 -0.027 0.000 2.038 485 E HA -0.232 4.119 4.350 0.001 0.000 0.195 485 E C 1.917 178.474 176.600 -0.073 0.000 1.000 485 E CA 1.556 57.945 56.400 -0.019 0.000 0.803 485 E CB -0.099 29.598 29.700 -0.005 0.000 0.750 485 E HN 0.066 nan 8.360 nan 0.000 0.448 486 K N 0.083 120.418 120.400 -0.109 0.000 2.063 486 K HA -0.202 4.119 4.320 0.001 0.000 0.208 486 K C 1.983 178.466 176.600 -0.195 0.000 1.048 486 K CA 1.790 58.002 56.287 -0.124 0.000 0.928 486 K CB -0.051 32.378 32.500 -0.118 0.000 0.713 486 K HN 0.048 nan 8.250 nan 0.000 0.442 487 K N -1.113 119.058 120.400 -0.383 0.000 2.166 487 K HA -0.057 4.264 4.320 0.001 0.000 0.201 487 K C 1.466 177.743 176.600 -0.539 0.000 1.052 487 K CA 1.136 57.065 56.287 -0.596 0.000 0.969 487 K CB 0.187 32.058 32.500 -1.048 0.000 0.761 487 K HN 0.277 nan 8.250 nan 0.000 0.459 488 Y N -0.163 120.137 120.300 -0.000 0.000 2.453 488 Y HA 0.166 4.717 4.550 0.001 0.000 0.247 488 Y C 0.106 176.008 175.900 0.004 0.000 1.124 488 Y CA -0.761 57.340 58.100 0.002 0.000 1.243 488 Y CB 0.759 39.220 38.460 0.002 0.000 1.213 488 Y HN -0.118 nan 8.280 nan 0.000 0.523 489 Q N 0.660 120.506 119.800 0.077 0.000 2.452 489 Q HA -0.221 4.120 4.340 0.001 0.000 0.248 489 Q C -0.329 175.717 176.000 0.076 0.000 0.874 489 Q CA 1.446 57.284 55.803 0.058 0.000 1.208 489 Q CB -1.883 26.885 28.738 0.049 0.000 1.569 489 Q HN 0.807 nan 8.270 nan 0.000 0.579 490 R N -1.562 119.008 120.500 0.116 0.000 2.680 490 R HA 0.785 5.126 4.340 0.001 0.000 0.269 490 R C -0.870 175.498 176.300 0.113 0.000 1.026 490 R CA -1.029 55.128 56.100 0.095 0.000 0.889 490 R CB 1.210 31.558 30.300 0.080 0.000 1.241 490 R HN -0.010 nan 8.270 nan 0.000 0.463 491 L N 1.307 122.575 121.223 0.075 0.000 2.344 491 L HA 0.668 5.009 4.340 0.001 0.000 0.272 491 L C -0.339 176.566 176.870 0.058 0.000 1.035 491 L CA -0.947 53.937 54.840 0.073 0.000 0.807 491 L CB 2.096 44.184 42.059 0.048 0.000 1.237 491 L HN 0.967 nan 8.230 nan 0.000 0.442 492 S N -0.771 114.968 115.700 0.065 0.000 2.614 492 S HA 0.566 5.037 4.470 0.001 0.000 0.275 492 S C 0.224 174.868 174.600 0.073 0.000 1.161 492 S CA -0.198 58.032 58.200 0.050 0.000 0.969 492 S CB 1.583 64.796 63.200 0.021 0.000 1.059 492 S HN 1.125 nan 8.310 nan 0.000 0.482 493 G N 1.349 110.197 108.800 0.079 0.000 2.258 493 G HA2 -0.252 3.708 3.960 0.001 0.000 0.274 493 G HA3 -0.252 3.708 3.960 0.001 0.000 0.274 493 G C 0.491 175.516 174.900 0.208 0.000 1.021 493 G CA 0.688 45.865 45.100 0.128 0.000 0.798 493 G HN 2.054 nan 8.290 nan 0.000 0.507 494 V N -3.951 116.047 119.914 0.140 0.000 3.380 494 V HA 0.532 4.652 4.120 0.001 0.000 0.307 494 V C 0.392 176.410 176.094 -0.127 0.000 1.434 494 V CA 0.339 62.728 62.300 0.149 0.000 1.075 494 V CB 0.194 32.091 31.823 0.124 0.000 0.954 494 V HN 0.363 nan 8.190 nan 0.000 0.444 495 E N 1.517 121.633 120.200 -0.140 0.000 2.210 495 E HA 0.713 5.064 4.350 0.001 0.000 0.266 495 E C -1.240 175.240 176.600 -0.200 0.000 0.883 495 E CA -0.656 55.564 56.400 -0.300 0.000 0.761 495 E CB 2.365 31.980 29.700 -0.142 0.000 1.156 495 E HN 0.466 nan 8.360 nan 0.000 0.412 496 F N -0.697 119.195 119.950 -0.097 0.000 2.706 496 F HA 0.768 5.295 4.527 0.001 0.000 0.328 496 F C 0.461 176.230 175.800 -0.051 0.000 1.123 496 F CA -1.430 56.521 58.000 -0.082 0.000 0.978 496 F CB -0.016 38.903 39.000 -0.134 0.000 1.404 496 F HN 0.419 nan 8.300 nan 0.000 0.497 497 G N 0.196 109.173 108.800 0.295 0.000 2.634 497 G HA2 0.540 4.500 3.960 0.001 0.000 0.255 497 G HA3 0.540 4.500 3.960 0.001 0.000 0.255 497 G C -2.737 172.271 174.900 0.181 0.000 1.205 497 G CA -1.288 43.908 45.100 0.161 0.000 0.884 497 G HN 0.642 nan 8.290 nan 0.000 0.549 498 P HA 0.473 nan 4.420 nan 0.000 0.280 498 P C -0.786 176.460 177.300 -0.089 0.000 1.272 498 P CA -0.403 62.718 63.100 0.035 0.000 0.819 498 P CB 1.689 33.400 31.700 0.018 0.000 1.122 499 M N 0.030 119.479 119.600 -0.253 0.000 2.575 499 M HA 0.225 4.706 4.480 0.001 0.000 0.284 499 M C -0.817 175.178 176.300 -0.508 0.000 1.253 499 M CA -0.593 54.416 55.300 -0.485 0.000 0.861 499 M CB 2.449 34.508 32.600 -0.903 0.000 1.733 499 M HN 0.206 nan 8.290 nan 0.000 0.462 500 D N 1.071 121.273 120.400 -0.329 0.000 2.524 500 D HA 0.254 4.895 4.640 0.001 0.000 0.222 500 D C 0.218 176.469 176.300 -0.083 0.000 1.142 500 D CA -0.056 53.860 54.000 -0.140 0.000 0.973 500 D CB -0.075 40.703 40.800 -0.037 0.000 1.025 500 D HN 0.415 nan 8.370 nan 0.000 0.519 501 F N 1.440 121.434 119.950 0.074 0.000 2.250 501 F HA -0.118 4.410 4.527 0.001 0.000 0.301 501 F C 2.447 178.333 175.800 0.143 0.000 1.077 501 F CA 0.742 58.796 58.000 0.089 0.000 1.348 501 F CB 0.036 38.996 39.000 -0.068 0.000 1.040 501 F HN 0.282 nan 8.300 nan 0.000 0.509 502 K N 0.809 121.353 120.400 0.240 0.000 2.001 502 K HA -0.143 4.178 4.320 0.001 0.000 0.208 502 K C 2.314 178.993 176.600 0.132 0.000 1.048 502 K CA 1.257 57.633 56.287 0.148 0.000 0.932 502 K CB -0.316 32.230 32.500 0.077 0.000 0.715 502 K HN 0.166 nan 8.250 nan 0.000 0.437 503 A N 0.287 123.178 122.820 0.119 0.000 1.898 503 A HA -0.177 4.144 4.320 0.001 0.000 0.216 503 A C 2.057 179.736 177.584 0.159 0.000 1.181 503 A CA 1.360 53.453 52.037 0.093 0.000 0.620 503 A CB -0.942 18.091 19.000 0.056 0.000 0.819 503 A HN 0.585 nan 8.150 nan 0.000 0.442 504 Y N 0.757 121.128 120.300 0.119 0.000 2.081 504 Y HA -0.246 4.305 4.550 0.001 0.000 0.280 504 Y C 2.688 178.812 175.900 0.372 0.000 1.163 504 Y CA 1.922 60.155 58.100 0.221 0.000 1.135 504 Y CB -0.538 38.099 38.460 0.295 0.000 0.970 504 Y HN 0.314 nan 8.280 nan 0.000 0.498 505 A N 0.179 123.300 122.820 0.502 0.000 1.902 505 A HA -0.213 4.108 4.320 0.001 0.000 0.217 505 A C 2.026 179.768 177.584 0.264 0.000 1.181 505 A CA 1.907 54.180 52.037 0.393 0.000 0.623 505 A CB -0.775 18.399 19.000 0.289 0.000 0.818 505 A HN 0.676 nan 8.150 nan 0.000 0.443 506 E N 0.471 120.761 120.200 0.150 0.000 2.204 506 E HA -0.145 4.205 4.350 0.001 0.000 0.195 506 E C 2.163 178.792 176.600 0.047 0.000 0.990 506 E CA 1.226 57.667 56.400 0.068 0.000 0.821 506 E CB -0.231 29.476 29.700 0.011 0.000 0.750 506 E HN 0.808 nan 8.360 nan 0.000 0.477 507 S N 0.192 115.899 115.700 0.013 0.000 2.474 507 S HA -0.107 4.364 4.470 0.001 0.000 0.235 507 S C 1.566 176.060 174.600 -0.178 0.000 0.997 507 S CA 0.605 58.730 58.200 -0.125 0.000 0.949 507 S CB -0.321 62.728 63.200 -0.252 0.000 0.766 507 S HN 0.169 nan 8.310 nan 0.000 0.517 508 F N 1.813 121.701 119.950 -0.103 0.000 2.664 508 F HA 0.376 4.904 4.527 0.001 0.000 0.296 508 F C 2.063 177.837 175.800 -0.043 0.000 1.125 508 F CA 0.367 58.320 58.000 -0.080 0.000 1.444 508 F CB -0.052 38.906 39.000 -0.071 0.000 1.114 508 F HN 0.427 nan 8.300 nan 0.000 0.576 509 G N 0.189 109.070 108.800 0.134 0.000 2.144 509 G HA2 -0.054 3.906 3.960 0.001 0.000 0.218 509 G HA3 -0.054 3.906 3.960 0.001 0.000 0.218 509 G C 0.154 175.097 174.900 0.072 0.000 0.988 509 G CA -0.195 44.950 45.100 0.074 0.000 0.659 509 G HN 0.595 nan 8.290 nan 0.000 0.522 510 A N -0.611 122.268 122.820 0.098 0.000 2.256 510 A HA 0.867 5.187 4.320 0.001 0.000 0.318 510 A C 0.255 177.864 177.584 0.043 0.000 1.103 510 A CA -0.106 51.971 52.037 0.066 0.000 0.860 510 A CB 0.975 20.015 19.000 0.066 0.000 1.182 510 A HN 0.604 nan 8.150 nan 0.000 0.501 511 K N 0.103 120.525 120.400 0.037 0.000 2.227 511 K HA 0.538 4.859 4.320 0.001 0.000 0.280 511 K C 0.067 176.628 176.600 -0.065 0.000 1.041 511 K CA 0.502 56.764 56.287 -0.042 0.000 0.905 511 K CB 0.880 33.405 32.500 0.040 0.000 1.068 511 K HN 0.851 nan 8.250 nan 0.000 0.470 512 G N 2.869 111.512 108.800 -0.262 0.000 2.453 512 G HA2 0.731 4.692 3.960 0.001 0.000 0.323 512 G HA3 0.731 4.692 3.960 0.001 0.000 0.323 512 G C -1.466 173.135 174.900 -0.498 0.000 1.198 512 G CA -0.559 44.445 45.100 -0.159 0.000 0.959 512 G HN 0.423 nan 8.290 nan 0.000 0.482 513 F N -0.273 119.704 119.950 0.044 0.000 2.613 513 F HA 0.736 5.263 4.527 0.001 0.000 0.310 513 F C 0.164 175.982 175.800 0.030 0.000 1.085 513 F CA -0.959 57.056 58.000 0.026 0.000 0.945 513 F CB 2.822 41.824 39.000 0.004 0.000 1.298 513 F HN 0.691 nan 8.300 nan 0.000 0.455 514 A N 1.475 124.422 122.820 0.213 0.000 2.411 514 A HA 0.673 4.994 4.320 0.001 0.000 0.285 514 A C -1.518 176.133 177.584 0.112 0.000 1.129 514 A CA -0.674 51.449 52.037 0.143 0.000 0.736 514 A CB 0.824 19.898 19.000 0.123 0.000 1.186 514 A HN 0.524 nan 8.150 nan 0.000 0.445 515 V N 3.427 123.393 119.914 0.087 0.000 2.421 515 V HA 0.075 4.196 4.120 0.001 0.000 0.271 515 V C 0.844 177.000 176.094 0.103 0.000 1.031 515 V CA 0.632 62.965 62.300 0.055 0.000 1.032 515 V CB 0.242 32.080 31.823 0.025 0.000 1.009 515 V HN 1.013 nan 8.190 nan 0.000 0.477 516 E N 2.723 122.894 120.200 -0.049 0.000 2.481 516 E HA 0.137 4.488 4.350 0.001 0.000 0.198 516 E C 0.501 176.517 176.600 -0.974 0.000 1.027 516 E CA 0.230 56.505 56.400 -0.207 0.000 0.900 516 E CB 0.726 30.356 29.700 -0.116 0.000 0.993 516 E HN 0.772 nan 8.360 nan 0.000 0.482 517 S N -1.409 113.837 115.700 -0.757 0.000 2.565 517 S HA 0.572 5.042 4.470 0.001 0.000 0.269 517 S C 0.587 174.980 174.600 -0.346 0.000 1.153 517 S CA -0.400 57.303 58.200 -0.827 0.000 0.835 517 S CB 1.532 64.447 63.200 -0.474 0.000 1.122 517 S HN -0.037 nan 8.310 nan 0.000 0.462 518 A N 1.187 123.888 122.820 -0.198 0.000 1.902 518 A HA -0.039 4.282 4.320 0.001 0.000 0.217 518 A C 1.728 179.257 177.584 -0.092 0.000 1.181 518 A CA 2.091 54.088 52.037 -0.066 0.000 0.623 518 A CB -1.268 17.717 19.000 -0.024 0.000 0.818 518 A HN 0.923 nan 8.150 nan 0.000 0.443 519 E N 0.360 120.495 120.200 -0.107 0.000 2.118 519 E HA -0.044 4.307 4.350 0.001 0.000 0.195 519 E C 2.032 178.579 176.600 -0.089 0.000 0.992 519 E CA 1.278 57.624 56.400 -0.090 0.000 0.804 519 E CB -0.503 29.145 29.700 -0.086 0.000 0.741 519 E HN 0.598 nan 8.360 nan 0.000 0.458 520 A N 0.691 123.447 122.820 -0.107 0.000 2.067 520 A HA -0.073 4.248 4.320 0.001 0.000 0.219 520 A C 1.952 179.486 177.584 -0.084 0.000 1.158 520 A CA 0.611 52.594 52.037 -0.089 0.000 0.661 520 A CB -0.488 18.455 19.000 -0.096 0.000 0.801 520 A HN 0.229 nan 8.150 nan 0.000 0.452 521 L N 0.443 121.612 121.223 -0.090 0.000 1.941 521 L HA -0.244 4.097 4.340 0.001 0.000 0.224 521 L C 2.214 179.020 176.870 -0.106 0.000 1.081 521 L CA 2.839 57.620 54.840 -0.098 0.000 0.784 521 L CB -0.998 40.998 42.059 -0.106 0.000 0.894 521 L HN 0.423 nan 8.230 nan 0.000 0.436 522 E N -0.335 119.807 120.200 -0.096 0.000 2.070 522 E HA -0.203 4.148 4.350 0.001 0.000 0.197 522 E C -0.136 176.406 176.600 -0.095 0.000 1.004 522 E CA 2.230 58.575 56.400 -0.092 0.000 0.805 522 E CB -1.746 27.907 29.700 -0.077 0.000 0.744 522 E HN 0.495 nan 8.360 nan 0.000 0.451 523 P HA -0.093 nan 4.420 nan 0.000 0.216 523 P C 1.174 178.403 177.300 -0.118 0.000 1.153 523 P CA 1.581 64.632 63.100 -0.082 0.000 0.848 523 P CB 0.006 31.670 31.700 -0.060 0.000 0.787 524 T N -0.125 114.349 114.554 -0.133 0.000 2.708 524 T HA -0.102 4.249 4.350 0.001 0.000 0.266 524 T C 1.745 176.226 174.700 -0.365 0.000 1.037 524 T CA 1.126 63.095 62.100 -0.218 0.000 1.146 524 T CB -0.970 67.817 68.868 -0.135 0.000 0.865 524 T HN 0.040 nan 8.240 nan 0.000 0.435 525 L N 0.832 121.906 121.223 -0.248 0.000 2.046 525 L HA -0.162 4.178 4.340 0.001 0.000 0.208 525 L C 3.404 180.147 176.870 -0.212 0.000 1.077 525 L CA 1.770 56.471 54.840 -0.231 0.000 0.747 525 L CB -0.887 41.086 42.059 -0.143 0.000 0.896 525 L HN 0.253 nan 8.230 nan 0.000 0.432 526 R N 0.429 120.831 120.500 -0.163 0.000 2.081 526 R HA -0.080 4.260 4.340 0.001 0.000 0.235 526 R C 2.338 178.553 176.300 -0.141 0.000 1.131 526 R CA 1.692 57.721 56.100 -0.119 0.000 0.960 526 R CB -1.602 28.647 30.300 -0.085 0.000 0.856 526 R HN 0.497 nan 8.270 nan 0.000 0.436 527 A N 0.734 123.436 122.820 -0.197 0.000 1.877 527 A HA 0.241 4.562 4.320 0.001 0.000 0.216 527 A C 2.829 180.249 177.584 -0.273 0.000 1.186 527 A CA 2.015 53.941 52.037 -0.186 0.000 0.620 527 A CB -0.891 18.010 19.000 -0.165 0.000 0.822 527 A HN 0.995 nan 8.150 nan 0.000 0.443 528 A N -1.213 121.250 122.820 -0.595 0.000 1.972 528 A HA -0.090 4.231 4.320 0.001 0.000 0.219 528 A C 2.138 179.627 177.584 -0.158 0.000 1.169 528 A CA 1.821 53.545 52.037 -0.521 0.000 0.635 528 A CB -0.453 18.130 19.000 -0.696 0.000 0.810 528 A HN 0.419 nan 8.150 nan 0.000 0.446 529 M N 0.010 119.527 119.600 -0.139 0.000 2.296 529 M HA -0.104 4.377 4.480 0.001 0.000 0.265 529 M C 1.003 177.293 176.300 -0.018 0.000 1.064 529 M CA 1.199 56.465 55.300 -0.055 0.000 1.109 529 M CB -1.129 31.442 32.600 -0.049 0.000 1.396 529 M HN 0.376 nan 8.290 nan 0.000 0.430 530 D N -0.001 120.386 120.400 -0.022 0.000 2.269 530 D HA -0.012 4.629 4.640 0.001 0.000 0.208 530 D C 0.492 176.813 176.300 0.036 0.000 0.963 530 D CA 0.294 54.300 54.000 0.010 0.000 0.864 530 D CB 0.221 41.027 40.800 0.010 0.000 0.936 530 D HN 0.115 nan 8.370 nan 0.000 0.505 531 V N 2.043 121.988 119.914 0.052 0.000 2.557 531 V HA -0.132 3.989 4.120 0.001 0.000 0.301 531 V C 0.418 176.543 176.094 0.053 0.000 1.026 531 V CA 0.252 62.599 62.300 0.080 0.000 1.137 531 V CB 0.682 32.587 31.823 0.136 0.000 0.917 531 V HN -0.018 nan 8.190 nan 0.000 0.484 532 D N 4.157 124.587 120.400 0.050 0.000 2.522 532 D HA 0.528 5.169 4.640 0.001 0.000 0.218 532 D C 0.364 176.675 176.300 0.019 0.000 1.149 532 D CA 1.262 55.288 54.000 0.043 0.000 0.981 532 D CB -0.134 40.699 40.800 0.054 0.000 1.041 532 D HN 0.886 nan 8.370 nan 0.000 0.518 533 G N 2.410 111.199 108.800 -0.018 0.000 2.350 533 G HA2 0.052 4.013 3.960 0.001 0.000 0.282 533 G HA3 0.052 4.013 3.960 0.001 0.000 0.282 533 G C -2.964 171.889 174.900 -0.079 0.000 1.314 533 G CA -1.094 43.961 45.100 -0.076 0.000 0.915 533 G HN 0.145 nan 8.290 nan 0.000 0.499 534 P HA 0.498 nan 4.420 nan 0.000 0.268 534 P C -0.295 177.025 177.300 0.034 0.000 1.204 534 P CA 0.736 63.806 63.100 -0.049 0.000 0.768 534 P CB 1.370 33.034 31.700 -0.060 0.000 0.842 535 A N 2.563 125.427 122.820 0.074 0.000 2.547 535 A HA 0.660 4.981 4.320 0.001 0.000 0.297 535 A C -1.451 176.237 177.584 0.173 0.000 1.056 535 A CA -0.528 51.609 52.037 0.165 0.000 0.688 535 A CB 1.335 20.468 19.000 0.222 0.000 1.282 535 A HN 0.279 nan 8.150 nan 0.000 0.400 536 V N 1.445 121.492 119.914 0.222 0.000 2.638 536 V HA 0.614 4.735 4.120 0.001 0.000 0.306 536 V C -0.754 175.466 176.094 0.210 0.000 1.052 536 V CA -0.573 61.828 62.300 0.169 0.000 0.885 536 V CB 1.852 33.751 31.823 0.127 0.000 0.999 536 V HN 0.769 nan 8.190 nan 0.000 0.424 537 V N 3.505 123.471 119.914 0.087 0.000 2.407 537 V HA 0.718 4.839 4.120 0.001 0.000 0.291 537 V C 0.375 176.441 176.094 -0.047 0.000 1.018 537 V CA -0.662 61.683 62.300 0.075 0.000 0.842 537 V CB 1.672 33.487 31.823 -0.013 0.000 0.996 537 V HN 0.999 nan 8.190 nan 0.000 0.426 538 A N 6.451 129.269 122.820 -0.004 0.000 2.366 538 A HA 0.814 5.134 4.320 0.001 0.000 0.272 538 A C -0.352 177.197 177.584 -0.057 0.000 1.135 538 A CA -0.157 51.840 52.037 -0.068 0.000 0.804 538 A CB 0.074 19.139 19.000 0.110 0.000 1.064 538 A HN 0.812 nan 8.150 nan 0.000 0.499 539 I N 4.353 124.837 120.570 -0.143 0.000 2.495 539 I HA 0.243 4.413 4.170 0.001 0.000 0.277 539 I C -2.546 173.431 176.117 -0.232 0.000 1.045 539 I CA -1.992 59.194 61.300 -0.190 0.000 1.135 539 I CB 2.055 39.845 38.000 -0.349 0.000 1.241 539 I HN 0.380 nan 8.210 nan 0.000 0.469 540 P HA 0.026 nan 4.420 nan 0.000 0.264 540 P C -0.602 176.450 177.300 -0.413 0.000 1.193 540 P CA 0.153 63.088 63.100 -0.274 0.000 0.763 540 P CB 1.053 32.535 31.700 -0.363 0.000 0.810 541 V N 3.197 122.841 119.914 -0.450 0.000 2.823 541 V HA 0.431 4.551 4.120 0.001 0.000 0.312 541 V C -1.100 174.671 176.094 -0.538 0.000 1.072 541 V CA -0.717 61.238 62.300 -0.574 0.000 0.937 541 V CB 2.305 33.686 31.823 -0.736 0.000 1.013 541 V HN 0.371 nan 8.190 nan 0.000 0.430 542 D N 3.820 123.937 120.400 -0.473 0.000 2.427 542 D HA 0.270 4.910 4.640 0.001 0.000 0.226 542 D C -0.120 176.051 176.300 -0.215 0.000 1.076 542 D CA 0.027 53.851 54.000 -0.294 0.000 0.849 542 D CB 0.927 41.606 40.800 -0.202 0.000 1.052 542 D HN 0.648 nan 8.370 nan 0.000 0.515 543 Y N 2.282 122.550 120.300 -0.055 0.000 2.470 543 Y HA 0.125 4.676 4.550 0.001 0.000 0.284 543 Y C 2.194 178.129 175.900 0.058 0.000 1.188 543 Y CA -0.446 57.670 58.100 0.027 0.000 1.269 543 Y CB 0.530 39.043 38.460 0.089 0.000 1.094 543 Y HN 0.220 nan 8.280 nan 0.000 0.518 544 R N 0.102 120.698 120.500 0.160 0.000 2.159 544 R HA -0.183 4.158 4.340 0.001 0.000 0.237 544 R C 0.600 176.998 176.300 0.162 0.000 1.131 544 R CA 1.662 57.841 56.100 0.132 0.000 0.982 544 R CB -0.149 30.201 30.300 0.084 0.000 0.868 544 R HN 0.392 nan 8.270 nan 0.000 0.453 545 D N -0.381 120.143 120.400 0.206 0.000 2.349 545 D HA -0.017 4.624 4.640 0.001 0.000 0.215 545 D C 1.157 177.663 176.300 0.343 0.000 1.016 545 D CA 0.228 54.396 54.000 0.280 0.000 0.870 545 D CB 0.006 41.028 40.800 0.369 0.000 0.917 545 D HN 0.078 nan 8.370 nan 0.000 0.524 546 N N 0.874 119.789 118.700 0.358 0.000 2.060 546 N HA -0.134 4.607 4.740 0.001 0.000 0.195 546 N C -1.078 174.502 175.510 0.116 0.000 1.028 546 N CA 1.171 54.395 53.050 0.289 0.000 0.861 546 N CB -1.290 37.312 38.487 0.191 0.000 1.029 546 N HN 0.240 nan 8.380 nan 0.000 0.428 547 P HA -0.132 nan 4.420 nan 0.000 0.217 547 P C 1.392 178.713 177.300 0.036 0.000 1.148 547 P CA 0.933 64.059 63.100 0.044 0.000 0.834 547 P CB 0.001 31.730 31.700 0.050 0.000 0.783 548 L N -1.823 119.443 121.223 0.071 0.000 2.027 548 L HA -0.163 4.178 4.340 0.001 0.000 0.206 548 L C 2.358 179.226 176.870 -0.003 0.000 1.074 548 L CA 1.071 55.944 54.840 0.056 0.000 0.745 548 L CB -1.143 40.985 42.059 0.115 0.000 0.898 548 L HN 0.010 nan 8.230 nan 0.000 0.433 549 L N 0.093 121.281 121.223 -0.059 0.000 2.083 549 L HA -0.205 4.135 4.340 0.001 0.000 0.209 549 L C 2.884 179.689 176.870 -0.109 0.000 1.083 549 L CA 2.335 57.054 54.840 -0.201 0.000 0.752 549 L CB -0.624 41.088 42.059 -0.578 0.000 0.899 549 L HN 0.257 nan 8.230 nan 0.000 0.433 550 M N -1.066 118.484 119.600 -0.084 0.000 2.213 550 M HA 0.052 4.532 4.480 0.001 0.000 0.263 550 M C 2.256 178.530 176.300 -0.045 0.000 1.062 550 M CA 2.027 57.284 55.300 -0.072 0.000 1.105 550 M CB -2.634 29.928 32.600 -0.063 0.000 1.385 550 M HN 0.473 nan 8.290 nan 0.000 0.417 551 G N -0.584 108.199 108.800 -0.028 0.000 2.535 551 G HA2 -0.099 3.862 3.960 0.001 0.000 0.218 551 G HA3 -0.099 3.862 3.960 0.001 0.000 0.218 551 G C 1.366 176.260 174.900 -0.010 0.000 1.122 551 G CA 0.830 45.920 45.100 -0.016 0.000 0.769 551 G HN 0.808 nan 8.290 nan 0.000 0.549 552 Q N -0.649 119.153 119.800 0.002 0.000 2.319 552 Q HA 0.304 4.645 4.340 0.001 0.000 0.202 552 Q C 0.397 176.440 176.000 0.071 0.000 0.896 552 Q CA -0.257 55.572 55.803 0.044 0.000 0.942 552 Q CB 0.406 29.180 28.738 0.061 0.000 1.083 552 Q HN 0.386 nan 8.270 nan 0.000 0.510 553 L N 0.786 121.995 121.223 -0.022 0.000 2.399 553 L HA 0.239 4.580 4.340 0.001 0.000 0.265 553 L C 0.338 177.153 176.870 -0.092 0.000 1.089 553 L CA -0.984 53.772 54.840 -0.140 0.000 0.802 553 L CB 0.566 42.528 42.059 -0.162 0.000 1.180 553 L HN 0.165 nan 8.230 nan 0.000 0.454 554 H N 2.313 121.362 119.070 -0.035 0.000 3.145 554 H HA 0.140 4.697 4.556 0.002 0.000 0.288 554 H C 0.502 175.819 175.328 -0.018 0.000 0.969 554 H CA 0.066 56.115 56.048 0.002 0.000 1.444 554 H CB 0.228 30.008 29.762 0.031 0.000 1.500 554 H HN 0.465 nan 8.280 nan 0.000 0.552 555 L N 0.000 121.290 121.223 0.111 0.000 2.949 555 L HA 0.000 4.341 4.340 0.001 0.000 0.249 555 L CA 0.000 54.866 54.840 0.044 0.000 0.813 555 L CB 0.000 42.075 42.059 0.026 0.000 0.961 555 L HN 0.000 nan 8.230 nan 0.000 0.502