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 3fwm_1_A DATA FIRST_RESID 75 DATA SEQUENCE VFAVLIAIYG VYLDQKIRSR IDGKVWQLPA AVYGRMVNLE PDMTISKNEM DATA SEQUENCE VKLLEATQYR QVSKMTRPGE FTVQANSIEM IRRPFDFPDS KEGQVRARLT DATA SEQUENCE FDGDHLATIV NMENNRQFGF FRLDPRLITM ISSPNGEQRL FVPRSGFPDL DATA SEQUENCE LVDTLLATEX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXTLTQQLVK DATA SEQUENCE NLFLSSERSY WRKANEAYMA LIMDARYSKD RILELYMNEV YLGQSGDNEI DATA SEQUENCE RGFPLASLYY FGRPVEELSL DQQALLVGMV KGASIYNPWR NPKLALERRN DATA SEQUENCE LVLRLXXXXX XXXXXXXXXX XXXXXXXXXX XXVISPQPAF MQLVRQELQA DATA SEQUENCE KLGDKVKDLS GVKIFTTFDS VAQDAAEKAA VEGIPALKKQ RKLSDLETAI DATA SEQUENCE VVVDRFSGEV RAMVGGSEPQ FAGYNRAMQA RRSIGSLAKP ATYLTALSQP DATA SEQUENCE KIYRLNTWIA DAPIALRQPN GQVWSPQNDD RRYSESGRVM LVDALTRSMN DATA SEQUENCE VPTVNLGMAL GLPAVTETWI KLGVPKDQLH PVPAMLLGAL NLTPIEVAQA DATA SEQUENCE FQTIASGGNR APLSALRSVI AEDGKVLYQS FPQAERAVPA QAAYLTLWTM DATA SEQUENCE QQVVQRGTGR QLGAKYPNLH LAGKTGTTNN NVDTWFAGID GSTVTITWVG DATA SEQUENCE RDNNQPTKLY GASGAMSIYQ RYLANQTPTP LNLVPPEDIA DMGVDYDGNF DATA SEQUENCE VCSGGMRILP VWTSDPQSLC QQSEMQ 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 75 V HA 0.000 nan 4.120 nan 0.000 0.244 75 V C 0.000 175.987 176.094 -0.178 0.000 1.182 75 V CA 0.000 62.261 62.300 -0.065 0.000 1.235 75 V CB 0.000 31.765 31.823 -0.096 0.000 1.184 76 F N 2.067 122.017 119.950 0.000 0.000 2.335 76 F HA 0.633 5.160 4.527 -0.000 0.000 0.365 76 F C 1.135 176.936 175.800 0.001 0.000 1.122 76 F CA -0.434 57.566 58.000 0.000 0.000 1.151 76 F CB 1.439 40.441 39.000 0.002 0.000 1.282 76 F HN 0.465 nan 8.300 nan 0.000 0.513 77 A N 3.486 126.363 122.820 0.095 0.000 3.030 77 A HA 0.320 4.639 4.320 -0.000 0.000 0.273 77 A C 0.603 178.234 177.584 0.078 0.000 1.841 77 A CA -0.228 51.848 52.037 0.065 0.000 1.479 77 A CB -0.943 18.068 19.000 0.017 0.000 1.048 77 A HN 0.626 nan 8.150 nan 0.000 0.612 78 V N 2.238 122.216 119.914 0.106 0.000 3.189 78 V HA -0.014 4.106 4.120 -0.000 0.000 0.366 78 V C 1.496 177.640 176.094 0.084 0.000 1.313 78 V CA 0.545 62.901 62.300 0.094 0.000 1.302 78 V CB -1.175 30.706 31.823 0.096 0.000 1.260 78 V HN 0.882 nan 8.190 nan 0.000 0.484 79 L N -1.213 120.055 121.223 0.074 0.000 2.610 79 L HA 0.090 4.430 4.340 -0.000 0.000 0.232 79 L C 2.079 179.022 176.870 0.121 0.000 1.149 79 L CA 0.986 55.874 54.840 0.081 0.000 0.872 79 L CB -0.552 41.539 42.059 0.054 0.000 0.992 79 L HN 0.388 nan 8.230 nan 0.000 0.447 80 I N -1.089 119.546 120.570 0.109 0.000 2.617 80 I HA 0.105 4.275 4.170 -0.000 0.000 0.256 80 I C 2.557 178.839 176.117 0.275 0.000 1.167 80 I CA 1.333 62.724 61.300 0.153 0.000 1.469 80 I CB -0.832 37.163 38.000 -0.009 0.000 1.098 80 I HN 0.099 nan 8.210 nan 0.000 0.436 81 A N 1.284 124.228 122.820 0.206 0.000 2.015 81 A HA 0.044 4.363 4.320 -0.000 0.000 0.219 81 A C 2.284 179.995 177.584 0.211 0.000 1.163 81 A CA 1.562 53.737 52.037 0.231 0.000 0.646 81 A CB -0.903 18.184 19.000 0.144 0.000 0.806 81 A HN 0.531 nan 8.150 nan 0.000 0.448 82 I N -2.096 118.590 120.570 0.193 0.000 2.162 82 I HA -0.222 3.948 4.170 -0.000 0.000 0.238 82 I C 2.366 178.619 176.117 0.226 0.000 1.076 82 I CA 1.565 62.966 61.300 0.169 0.000 1.353 82 I CB -0.476 37.600 38.000 0.128 0.000 1.063 82 I HN 0.519 nan 8.210 nan 0.000 0.408 83 Y N 1.767 122.157 120.300 0.149 0.000 2.651 83 Y HA -0.120 4.430 4.550 -0.000 0.000 0.293 83 Y C 1.977 178.034 175.900 0.262 0.000 1.151 83 Y CA 1.059 59.272 58.100 0.188 0.000 1.362 83 Y CB -0.367 38.195 38.460 0.171 0.000 0.973 83 Y HN 0.081 nan 8.280 nan 0.000 0.561 84 G N -1.400 107.569 108.800 0.282 0.000 2.838 84 G HA2 0.005 3.964 3.960 -0.000 0.000 0.210 84 G HA3 0.005 3.964 3.960 -0.000 0.000 0.210 84 G C 1.238 176.076 174.900 -0.104 0.000 1.153 84 G CA 0.694 45.855 45.100 0.102 0.000 0.778 84 G HN 0.368 nan 8.290 nan 0.000 0.539 85 V N -0.871 119.045 119.914 0.005 0.000 2.788 85 V HA 0.148 4.268 4.120 -0.000 0.000 0.241 85 V C 1.896 177.980 176.094 -0.017 0.000 1.083 85 V CA 0.352 62.642 62.300 -0.017 0.000 1.103 85 V CB -0.240 31.605 31.823 0.038 0.000 0.800 85 V HN 0.386 nan 8.190 nan 0.000 0.476 86 Y N -0.009 120.244 120.300 -0.078 0.000 2.574 86 Y HA -0.094 4.455 4.550 -0.000 0.000 0.294 86 Y C 2.114 177.925 175.900 -0.150 0.000 1.142 86 Y CA 1.240 59.293 58.100 -0.078 0.000 1.314 86 Y CB 0.244 38.689 38.460 -0.025 0.000 0.991 86 Y HN 0.169 nan 8.280 nan 0.000 0.555 87 L N -0.555 120.574 121.223 -0.157 0.000 2.095 87 L HA -0.179 4.161 4.340 -0.000 0.000 0.204 87 L C 1.947 178.638 176.870 -0.299 0.000 1.080 87 L CA 1.690 56.341 54.840 -0.315 0.000 0.759 87 L CB -0.352 41.397 42.059 -0.516 0.000 0.914 87 L HN 0.129 nan 8.230 nan 0.000 0.439 88 D N -0.279 119.966 120.400 -0.258 0.000 2.190 88 D HA -0.298 4.342 4.640 -0.000 0.000 0.200 88 D C 2.122 178.307 176.300 -0.192 0.000 0.992 88 D CA 1.038 54.912 54.000 -0.210 0.000 0.854 88 D CB 0.027 40.727 40.800 -0.167 0.000 0.936 88 D HN 0.295 nan 8.370 nan 0.000 0.462 89 Q N -0.226 119.429 119.800 -0.242 0.000 2.234 89 Q HA -0.214 4.126 4.340 -0.000 0.000 0.206 89 Q C 1.433 177.311 176.000 -0.204 0.000 0.980 89 Q CA 1.281 56.924 55.803 -0.268 0.000 0.869 89 Q CB 0.114 28.558 28.738 -0.491 0.000 0.912 89 Q HN 0.250 nan 8.270 nan 0.000 0.436 90 K N -0.481 119.795 120.400 -0.206 0.000 2.308 90 K HA 0.167 4.486 4.320 -0.000 0.000 0.197 90 K C 1.430 177.964 176.600 -0.110 0.000 1.049 90 K CA 0.209 56.404 56.287 -0.154 0.000 0.991 90 K CB 0.498 32.887 32.500 -0.186 0.000 0.836 90 K HN 0.170 nan 8.250 nan 0.000 0.500 91 I N 1.217 121.689 120.570 -0.162 0.000 3.684 91 I HA -0.002 4.168 4.170 -0.000 0.000 0.308 91 I C 1.284 177.457 176.117 0.094 0.000 1.263 91 I CA 0.493 61.777 61.300 -0.027 0.000 1.174 91 I CB -0.177 37.772 38.000 -0.084 0.000 1.021 91 I HN 0.143 nan 8.210 nan 0.000 0.451 92 R N -0.398 120.120 120.500 0.030 0.000 2.411 92 R HA 0.150 4.490 4.340 -0.000 0.000 0.176 92 R C 2.205 178.517 176.300 0.019 0.000 1.072 92 R CA 0.339 56.468 56.100 0.050 0.000 1.132 92 R CB -0.141 30.151 30.300 -0.013 0.000 1.203 92 R HN 0.053 nan 8.270 nan 0.000 0.537 93 S N 1.298 116.988 115.700 -0.017 0.000 2.440 93 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 93 S C 1.696 176.281 174.600 -0.024 0.000 1.010 93 S CA 1.467 59.653 58.200 -0.024 0.000 0.972 93 S CB -0.164 63.014 63.200 -0.035 0.000 0.774 93 S HN 0.116 nan 8.310 nan 0.000 0.501 94 R N 1.563 122.060 120.500 -0.005 0.000 2.052 94 R HA 0.249 4.588 4.340 -0.000 0.000 0.224 94 R C 1.817 178.044 176.300 -0.121 0.000 1.149 94 R CA 1.289 57.367 56.100 -0.036 0.000 0.962 94 R CB -0.525 29.821 30.300 0.076 0.000 0.856 94 R HN 0.379 nan 8.270 nan 0.000 0.433 95 I N 0.513 121.024 120.570 -0.098 0.000 3.059 95 I HA 0.003 4.172 4.170 -0.000 0.000 0.270 95 I C 0.033 176.067 176.117 -0.137 0.000 1.238 95 I CA 0.456 61.630 61.300 -0.210 0.000 1.478 95 I CB -0.153 37.641 38.000 -0.344 0.000 1.097 95 I HN 0.047 nan 8.210 nan 0.000 0.455 96 D N 2.099 122.478 120.400 -0.035 0.000 3.057 96 D HA 0.409 5.048 4.640 -0.000 0.000 0.246 96 D C 0.599 176.871 176.300 -0.045 0.000 1.238 96 D CA 0.375 54.370 54.000 -0.008 0.000 0.949 96 D CB 0.284 41.105 40.800 0.035 0.000 1.086 96 D HN 0.433 nan 8.370 nan 0.000 0.487 97 G N -0.238 108.508 108.800 -0.090 0.000 2.491 97 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.183 97 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.183 97 G C -0.963 173.852 174.900 -0.143 0.000 1.221 97 G CA -0.956 44.088 45.100 -0.092 0.000 0.996 97 G HN 0.051 nan 8.290 nan 0.000 0.474 98 K N 1.476 121.802 120.400 -0.123 0.000 2.237 98 K HA 0.318 4.637 4.320 -0.000 0.000 0.283 98 K C 1.489 177.950 176.600 -0.231 0.000 1.080 98 K CA -0.149 56.053 56.287 -0.142 0.000 0.965 98 K CB 1.086 33.540 32.500 -0.076 0.000 1.098 98 K HN 0.277 nan 8.250 nan 0.000 0.434 99 V N 2.861 122.535 119.914 -0.399 0.000 2.358 99 V HA -0.129 3.991 4.120 -0.000 0.000 0.246 99 V C 0.854 176.488 176.094 -0.766 0.000 1.047 99 V CA 1.100 62.959 62.300 -0.735 0.000 1.035 99 V CB -0.193 30.892 31.823 -1.229 0.000 0.658 99 V HN 0.683 nan 8.190 nan 0.000 0.452 100 W N -1.189 120.045 121.300 -0.108 0.000 3.031 100 W HA 0.551 5.211 4.660 -0.000 0.000 0.337 100 W C -0.504 175.974 176.519 -0.069 0.000 1.187 100 W CA -1.303 55.993 57.345 -0.081 0.000 1.166 100 W CB 1.182 30.601 29.460 -0.070 0.000 1.437 100 W HN -0.107 nan 8.180 nan 0.000 0.551 101 Q N 1.810 121.729 119.800 0.198 0.000 2.281 101 Q HA 0.318 4.658 4.340 -0.000 0.000 0.267 101 Q C -1.041 175.025 176.000 0.110 0.000 1.053 101 Q CA 0.545 56.414 55.803 0.109 0.000 0.905 101 Q CB 0.167 28.944 28.738 0.065 0.000 1.195 101 Q HN 0.388 nan 8.270 nan 0.000 0.398 102 L N 8.296 129.572 121.223 0.088 0.000 2.272 102 L HA 0.516 4.855 4.340 -0.000 0.000 0.289 102 L C -1.952 174.933 176.870 0.025 0.000 1.032 102 L CA -2.288 52.590 54.840 0.063 0.000 0.810 102 L CB 1.406 43.521 42.059 0.094 0.000 1.205 102 L HN 0.622 nan 8.230 nan 0.000 0.422 103 P HA 0.027 nan 4.420 nan 0.000 0.270 103 P C -0.546 176.740 177.300 -0.024 0.000 1.223 103 P CA -0.363 62.723 63.100 -0.024 0.000 0.785 103 P CB 0.823 32.492 31.700 -0.052 0.000 0.923 104 A N 1.861 124.662 122.820 -0.033 0.000 2.440 104 A HA 0.471 4.790 4.320 -0.000 0.000 0.251 104 A C 0.483 178.017 177.584 -0.084 0.000 1.089 104 A CA -0.134 51.880 52.037 -0.039 0.000 0.779 104 A CB -0.383 18.596 19.000 -0.036 0.000 1.022 104 A HN 0.606 nan 8.150 nan 0.000 0.492 105 A N 2.321 125.080 122.820 -0.102 0.000 2.290 105 A HA 0.579 4.899 4.320 -0.000 0.000 0.310 105 A C -0.292 177.102 177.584 -0.316 0.000 1.202 105 A CA -0.421 51.478 52.037 -0.230 0.000 0.837 105 A CB 0.438 19.308 19.000 -0.215 0.000 1.139 105 A HN 1.062 nan 8.150 nan 0.000 0.509 106 V N 3.319 123.006 119.914 -0.378 0.000 2.370 106 V HA 0.373 4.493 4.120 -0.000 0.000 0.283 106 V C -0.941 174.909 176.094 -0.407 0.000 1.023 106 V CA -0.332 61.796 62.300 -0.288 0.000 0.857 106 V CB 0.223 31.949 31.823 -0.162 0.000 0.985 106 V HN 0.760 nan 8.190 nan 0.000 0.443 107 Y N 2.225 122.465 120.300 -0.101 0.000 2.446 107 Y HA 0.720 5.269 4.550 -0.000 0.000 0.338 107 Y C 1.022 176.978 175.900 0.093 0.000 1.055 107 Y CA -0.076 58.015 58.100 -0.014 0.000 1.101 107 Y CB 1.903 40.354 38.460 -0.015 0.000 1.221 107 Y HN 0.752 nan 8.280 nan 0.000 0.460 108 G N 1.370 110.353 108.800 0.306 0.000 2.489 108 G HA2 0.280 4.240 3.960 -0.000 0.000 0.271 108 G HA3 0.280 4.240 3.960 -0.000 0.000 0.271 108 G C -0.532 174.544 174.900 0.292 0.000 1.427 108 G CA -0.968 44.330 45.100 0.330 0.000 1.057 108 G HN 0.740 nan 8.290 nan 0.000 0.532 109 R N -1.521 119.107 120.500 0.214 0.000 2.582 109 R HA 0.401 4.741 4.340 -0.000 0.000 0.271 109 R C -0.406 175.963 176.300 0.115 0.000 1.078 109 R CA -0.262 55.934 56.100 0.160 0.000 1.127 109 R CB 0.585 30.942 30.300 0.095 0.000 1.038 109 R HN 0.288 nan 8.270 nan 0.000 0.500 110 M N 3.087 122.749 119.600 0.103 0.000 2.061 110 M HA 0.218 4.698 4.480 -0.000 0.000 0.346 110 M C -0.995 175.321 176.300 0.027 0.000 1.112 110 M CA -0.779 54.563 55.300 0.069 0.000 1.021 110 M CB 2.017 34.678 32.600 0.102 0.000 1.530 110 M HN 0.398 nan 8.290 nan 0.000 0.437 111 V N 4.484 124.402 119.914 0.006 0.000 2.509 111 V HA 0.269 4.388 4.120 -0.000 0.000 0.284 111 V C 0.137 176.205 176.094 -0.043 0.000 1.047 111 V CA -0.601 61.691 62.300 -0.013 0.000 0.952 111 V CB 1.359 33.177 31.823 -0.009 0.000 0.988 111 V HN 0.790 nan 8.190 nan 0.000 0.469 112 N N 4.359 123.033 118.700 -0.043 0.000 2.421 112 N HA 0.558 5.297 4.740 -0.000 0.000 0.285 112 N C -1.127 174.407 175.510 0.040 0.000 1.027 112 N CA -0.643 52.390 53.050 -0.029 0.000 0.918 112 N CB 1.812 40.235 38.487 -0.106 0.000 1.152 112 N HN 0.458 nan 8.380 nan 0.000 0.485 113 L N 1.422 122.710 121.223 0.110 0.000 2.334 113 L HA 0.493 4.833 4.340 -0.000 0.000 0.275 113 L C 0.222 177.199 176.870 0.179 0.000 1.036 113 L CA -0.443 54.481 54.840 0.139 0.000 0.807 113 L CB 1.358 43.527 42.059 0.185 0.000 1.231 113 L HN 0.555 nan 8.230 nan 0.000 0.438 114 E N 3.065 123.341 120.200 0.126 0.000 2.340 114 E HA 0.484 4.834 4.350 -0.000 0.000 0.273 114 E C -2.699 173.947 176.600 0.077 0.000 0.891 114 E CA -2.175 54.303 56.400 0.130 0.000 0.757 114 E CB 2.758 32.525 29.700 0.112 0.000 1.231 114 E HN 0.206 nan 8.360 nan 0.000 0.439 115 P HA 0.077 nan 4.420 nan 0.000 0.267 115 P C -0.822 176.509 177.300 0.051 0.000 1.200 115 P CA 0.477 63.604 63.100 0.045 0.000 0.772 115 P CB 0.330 32.053 31.700 0.037 0.000 0.855 116 D N -1.642 118.809 120.400 0.085 0.000 3.006 116 D HA -0.145 4.495 4.640 -0.000 0.000 0.205 116 D C 0.364 176.656 176.300 -0.012 0.000 1.075 116 D CA 0.855 54.863 54.000 0.013 0.000 1.000 116 D CB -1.384 39.377 40.800 -0.065 0.000 1.097 116 D HN 0.504 nan 8.370 nan 0.000 0.426 117 M N 0.228 119.867 119.600 0.065 0.000 2.233 117 M HA 0.254 4.733 4.480 -0.000 0.000 0.350 117 M C -0.159 176.219 176.300 0.130 0.000 1.176 117 M CA 0.393 55.734 55.300 0.069 0.000 1.150 117 M CB 0.834 33.476 32.600 0.071 0.000 1.530 117 M HN -0.187 nan 8.290 nan 0.000 0.459 118 T N 6.598 121.212 114.554 0.100 0.000 2.978 118 T HA 0.488 4.838 4.350 -0.000 0.000 0.278 118 T C -0.243 174.533 174.700 0.127 0.000 0.945 118 T CA -0.178 62.001 62.100 0.132 0.000 1.070 118 T CB -0.941 67.980 68.868 0.088 0.000 0.948 118 T HN 0.636 nan 8.240 nan 0.000 0.617 119 I N 1.597 122.272 120.570 0.176 0.000 2.994 119 I HA 0.667 4.837 4.170 -0.000 0.000 0.306 119 I C -0.449 175.776 176.117 0.179 0.000 1.195 119 I CA -0.707 60.685 61.300 0.153 0.000 1.001 119 I CB 2.161 40.265 38.000 0.174 0.000 1.244 119 I HN 0.544 nan 8.210 nan 0.000 0.437 120 S N 4.328 120.044 115.700 0.026 0.000 2.704 120 S HA 0.430 4.900 4.470 -0.000 0.000 0.305 120 S C 0.642 174.897 174.600 -0.576 0.000 1.107 120 S CA -0.620 57.487 58.200 -0.155 0.000 0.993 120 S CB 1.900 65.022 63.200 -0.130 0.000 1.110 120 S HN 0.830 nan 8.310 nan 0.000 0.534 121 K N 0.548 120.315 120.400 -1.054 0.000 2.025 121 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 121 K C 1.387 177.649 176.600 -0.562 0.000 1.049 121 K CA 1.518 56.966 56.287 -1.399 0.000 0.933 121 K CB -0.461 31.404 32.500 -1.059 0.000 0.714 121 K HN 0.594 nan 8.250 nan 0.000 0.438 122 N N 1.307 119.802 118.700 -0.342 0.000 2.120 122 N HA -0.195 4.545 4.740 -0.000 0.000 0.188 122 N C 1.584 177.000 175.510 -0.156 0.000 1.024 122 N CA 1.178 54.117 53.050 -0.186 0.000 0.852 122 N CB -0.204 38.205 38.487 -0.130 0.000 1.003 122 N HN 0.378 nan 8.380 nan 0.000 0.424 123 E N -0.072 120.029 120.200 -0.165 0.000 2.077 123 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 123 E C 1.835 178.371 176.600 -0.107 0.000 0.989 123 E CA 1.028 57.360 56.400 -0.113 0.000 0.800 123 E CB -0.013 29.637 29.700 -0.083 0.000 0.746 123 E HN 0.163 nan 8.360 nan 0.000 0.452 124 M N 0.036 119.553 119.600 -0.138 0.000 2.132 124 M HA -0.110 4.369 4.480 -0.000 0.000 0.263 124 M C 1.984 178.180 176.300 -0.172 0.000 1.065 124 M CA 1.167 56.416 55.300 -0.085 0.000 1.122 124 M CB -0.110 32.526 32.600 0.061 0.000 1.365 124 M HN 0.033 nan 8.290 nan 0.000 0.411 125 V N 0.588 120.387 119.914 -0.192 0.000 2.282 125 V HA -0.367 3.753 4.120 -0.000 0.000 0.249 125 V C 2.294 178.315 176.094 -0.122 0.000 1.057 125 V CA 2.295 64.479 62.300 -0.193 0.000 1.032 125 V CB -0.935 30.873 31.823 -0.025 0.000 0.645 125 V HN 0.503 nan 8.190 nan 0.000 0.447 126 K N -0.454 119.900 120.400 -0.077 0.000 2.063 126 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 126 K C 2.083 178.653 176.600 -0.049 0.000 1.048 126 K CA 1.638 57.899 56.287 -0.043 0.000 0.928 126 K CB -0.403 32.065 32.500 -0.054 0.000 0.713 126 K HN 0.362 nan 8.250 nan 0.000 0.442 127 L N 1.087 122.264 121.223 -0.077 0.000 2.141 127 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 127 L C 1.705 178.534 176.870 -0.067 0.000 1.094 127 L CA 1.443 56.245 54.840 -0.064 0.000 0.763 127 L CB -0.130 41.891 42.059 -0.063 0.000 0.908 127 L HN 0.122 nan 8.230 nan 0.000 0.437 128 L N -0.773 120.350 121.223 -0.167 0.000 2.072 128 L HA -0.134 4.206 4.340 -0.000 0.000 0.205 128 L C 2.555 179.485 176.870 0.099 0.000 1.079 128 L CA 1.312 56.035 54.840 -0.194 0.000 0.752 128 L CB -0.678 40.963 42.059 -0.696 0.000 0.906 128 L HN 0.309 nan 8.230 nan 0.000 0.436 129 E N 0.399 120.657 120.200 0.096 0.000 2.150 129 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 129 E C 2.197 178.888 176.600 0.151 0.000 0.985 129 E CA 1.114 57.639 56.400 0.208 0.000 0.814 129 E CB -0.110 29.709 29.700 0.197 0.000 0.752 129 E HN 0.476 nan 8.360 nan 0.000 0.466 130 A N 0.888 123.764 122.820 0.094 0.000 2.172 130 A HA -0.061 4.258 4.320 -0.000 0.000 0.216 130 A C 1.802 179.453 177.584 0.112 0.000 1.154 130 A CA 1.013 53.096 52.037 0.078 0.000 0.701 130 A CB -0.110 18.907 19.000 0.028 0.000 0.789 130 A HN 0.066 nan 8.150 nan 0.000 0.465 131 T N -0.105 114.547 114.554 0.164 0.000 3.214 131 T HA 0.215 4.565 4.350 -0.000 0.000 0.264 131 T C 0.083 174.921 174.700 0.231 0.000 1.012 131 T CA 0.077 62.304 62.100 0.212 0.000 0.901 131 T CB 0.212 69.233 68.868 0.254 0.000 1.070 131 T HN 0.478 nan 8.240 nan 0.000 0.561 132 Q N -1.153 118.753 119.800 0.177 0.000 2.385 132 Q HA -0.165 4.174 4.340 -0.000 0.000 0.215 132 Q C -0.569 175.470 176.000 0.064 0.000 0.671 132 Q CA 0.831 56.692 55.803 0.096 0.000 1.335 132 Q CB -2.222 26.528 28.738 0.019 0.000 1.425 132 Q HN 0.650 nan 8.270 nan 0.000 0.781 133 Y N 0.794 121.198 120.300 0.174 0.000 2.326 133 Y HA 0.342 4.891 4.550 -0.000 0.000 0.333 133 Y C 1.286 177.414 175.900 0.380 0.000 1.240 133 Y CA 0.032 58.302 58.100 0.283 0.000 1.365 133 Y CB 0.782 39.412 38.460 0.285 0.000 1.289 133 Y HN -0.089 nan 8.280 nan 0.000 0.548 134 R N 1.852 122.607 120.500 0.425 0.000 2.480 134 R HA 0.255 4.594 4.340 -0.000 0.000 0.306 134 R C -1.063 175.043 176.300 -0.324 0.000 0.958 134 R CA -0.988 55.187 56.100 0.126 0.000 0.861 134 R CB 1.811 32.137 30.300 0.043 0.000 1.171 134 R HN 0.611 nan 8.270 nan 0.000 0.445 135 Q N 2.788 122.215 119.800 -0.622 0.000 2.288 135 Q HA 0.422 4.761 4.340 -0.000 0.000 0.254 135 Q C -0.567 175.161 176.000 -0.454 0.000 0.932 135 Q CA -0.480 54.679 55.803 -1.073 0.000 0.902 135 Q CB 1.277 29.569 28.738 -0.743 0.000 1.203 135 Q HN 0.556 nan 8.270 nan 0.000 0.415 136 V N -0.022 119.664 119.914 -0.380 0.000 3.202 136 V HA 0.490 4.609 4.120 -0.000 0.000 0.306 136 V C 0.389 176.411 176.094 -0.119 0.000 1.283 136 V CA 0.095 62.286 62.300 -0.182 0.000 1.065 136 V CB 1.321 33.068 31.823 -0.126 0.000 1.079 136 V HN 0.927 nan 8.190 nan 0.000 0.448 137 S N 0.295 115.952 115.700 -0.071 0.000 2.371 137 S HA 0.255 4.725 4.470 -0.000 0.000 0.221 137 S C 0.646 175.230 174.600 -0.027 0.000 1.036 137 S CA 0.633 58.808 58.200 -0.042 0.000 0.965 137 S CB -0.325 62.856 63.200 -0.031 0.000 0.845 137 S HN 0.802 nan 8.310 nan 0.000 0.475 138 K N 0.609 120.994 120.400 -0.024 0.000 2.397 138 K HA 0.490 4.809 4.320 -0.000 0.000 0.253 138 K C -1.113 175.484 176.600 -0.004 0.000 0.932 138 K CA -0.293 55.989 56.287 -0.009 0.000 0.795 138 K CB 1.991 34.488 32.500 -0.005 0.000 1.159 138 K HN 0.246 nan 8.250 nan 0.000 0.424 139 M N 1.543 121.151 119.600 0.013 0.000 2.274 139 M HA 0.157 4.637 4.480 -0.000 0.000 0.344 139 M C 0.785 177.102 176.300 0.030 0.000 1.161 139 M CA 0.220 55.538 55.300 0.029 0.000 1.126 139 M CB 1.312 33.947 32.600 0.058 0.000 1.522 139 M HN 0.911 nan 8.290 nan 0.000 0.461 140 T N -1.225 113.349 114.554 0.033 0.000 3.151 140 T HA 0.305 4.655 4.350 -0.000 0.000 0.257 140 T C 0.426 175.148 174.700 0.037 0.000 0.872 140 T CA -0.401 61.716 62.100 0.029 0.000 0.873 140 T CB 0.586 69.463 68.868 0.015 0.000 1.272 140 T HN 0.651 nan 8.240 nan 0.000 0.543 141 R N 1.281 121.807 120.500 0.044 0.000 2.854 141 R HA 0.688 5.028 4.340 -0.000 0.000 0.271 141 R C -3.188 173.155 176.300 0.072 0.000 0.994 141 R CA -2.471 53.657 56.100 0.046 0.000 0.945 141 R CB 1.153 31.468 30.300 0.025 0.000 1.194 141 R HN 0.059 nan 8.270 nan 0.000 0.476 142 P HA 0.035 nan 4.420 nan 0.000 0.269 142 P C 0.261 177.594 177.300 0.055 0.000 1.215 142 P CA 0.589 63.743 63.100 0.089 0.000 0.780 142 P CB 0.526 32.264 31.700 0.063 0.000 0.898 143 G N 0.134 108.980 108.800 0.076 0.000 2.147 143 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.244 143 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.244 143 G C -0.213 174.778 174.900 0.152 0.000 1.005 143 G CA -0.191 44.794 45.100 -0.192 0.000 0.713 143 G HN 0.576 nan 8.290 nan 0.000 0.515 144 E N -1.129 119.268 120.200 0.328 0.000 2.299 144 E HA 0.797 5.146 4.350 -0.000 0.000 0.265 144 E C -0.334 176.533 176.600 0.445 0.000 0.911 144 E CA -0.925 55.656 56.400 0.302 0.000 0.789 144 E CB 1.833 31.604 29.700 0.118 0.000 1.246 144 E HN 0.639 nan 8.360 nan 0.000 0.427 145 F N -1.739 118.311 119.950 0.168 0.000 2.654 145 F HA 0.608 5.135 4.527 -0.000 0.000 0.308 145 F C -0.913 174.936 175.800 0.082 0.000 1.108 145 F CA -0.930 57.142 58.000 0.120 0.000 0.957 145 F CB 1.435 40.498 39.000 0.105 0.000 1.309 145 F HN 0.321 nan 8.300 nan 0.000 0.446 146 T N -0.070 114.603 114.554 0.197 0.000 2.908 146 T HA 0.802 5.152 4.350 -0.000 0.000 0.290 146 T C -1.231 173.590 174.700 0.203 0.000 1.034 146 T CA -0.855 61.295 62.100 0.084 0.000 1.010 146 T CB 1.704 70.600 68.868 0.046 0.000 1.068 146 T HN 0.716 nan 8.240 nan 0.000 0.481 147 V N 2.372 122.368 119.914 0.137 0.000 2.459 147 V HA 0.567 4.686 4.120 -0.000 0.000 0.295 147 V C -0.455 175.688 176.094 0.082 0.000 1.029 147 V CA -0.717 61.669 62.300 0.144 0.000 0.874 147 V CB 1.287 33.194 31.823 0.139 0.000 0.985 147 V HN 0.957 nan 8.190 nan 0.000 0.438 148 Q N 1.898 121.747 119.800 0.083 0.000 2.495 148 Q HA 0.754 5.093 4.340 -0.000 0.000 0.283 148 Q C 1.250 177.279 176.000 0.049 0.000 1.097 148 Q CA -0.080 55.757 55.803 0.057 0.000 0.836 148 Q CB 1.415 30.187 28.738 0.056 0.000 1.426 148 Q HN 0.712 nan 8.270 nan 0.000 0.459 149 A N 0.725 123.565 122.820 0.034 0.000 1.896 149 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 149 A C 0.824 178.428 177.584 0.033 0.000 1.206 149 A CA 2.596 54.647 52.037 0.024 0.000 0.647 149 A CB -0.437 18.575 19.000 0.019 0.000 0.828 149 A HN 0.689 nan 8.150 nan 0.000 0.455 150 N N -1.550 117.189 118.700 0.065 0.000 2.241 150 N HA 0.225 4.965 4.740 -0.000 0.000 0.238 150 N C -0.620 175.024 175.510 0.223 0.000 1.244 150 N CA 0.714 53.830 53.050 0.110 0.000 0.880 150 N CB 0.936 39.467 38.487 0.073 0.000 1.179 150 N HN 0.608 nan 8.380 nan 0.000 0.513 151 S N -1.254 114.580 115.700 0.224 0.000 2.611 151 S HA 0.681 5.151 4.470 -0.000 0.000 0.268 151 S C -1.384 173.364 174.600 0.248 0.000 1.156 151 S CA -0.810 57.560 58.200 0.283 0.000 0.817 151 S CB 1.415 64.684 63.200 0.116 0.000 1.122 151 S HN -0.051 nan 8.310 nan 0.000 0.466 152 I N 0.675 121.397 120.570 0.252 0.000 2.730 152 I HA 0.521 4.690 4.170 -0.000 0.000 0.298 152 I C -0.862 175.337 176.117 0.136 0.000 1.089 152 I CA -0.410 61.019 61.300 0.214 0.000 1.041 152 I CB 2.392 40.532 38.000 0.234 0.000 1.235 152 I HN 0.750 nan 8.210 nan 0.000 0.423 153 E N 6.545 126.835 120.200 0.150 0.000 2.187 153 E HA 0.685 5.034 4.350 -0.000 0.000 0.268 153 E C -1.038 175.665 176.600 0.171 0.000 0.896 153 E CA -0.757 55.709 56.400 0.110 0.000 0.766 153 E CB 2.207 31.958 29.700 0.085 0.000 1.142 153 E HN 0.495 nan 8.360 nan 0.000 0.408 154 M N 0.845 120.527 119.600 0.137 0.000 2.631 154 M HA 0.577 5.057 4.480 -0.000 0.000 0.288 154 M C -1.262 175.160 176.300 0.203 0.000 1.260 154 M CA -0.899 54.526 55.300 0.208 0.000 0.842 154 M CB 1.764 34.449 32.600 0.142 0.000 1.743 154 M HN 0.336 nan 8.290 nan 0.000 0.461 155 I N 2.554 123.288 120.570 0.273 0.000 2.361 155 I HA 0.338 4.507 4.170 -0.000 0.000 0.282 155 I C 0.019 176.366 176.117 0.383 0.000 1.075 155 I CA -0.668 60.793 61.300 0.268 0.000 1.205 155 I CB 0.449 38.575 38.000 0.210 0.000 1.406 155 I HN 0.732 nan 8.210 nan 0.000 0.481 156 R N 6.773 127.498 120.500 0.375 0.000 2.473 156 R HA 0.029 4.369 4.340 -0.000 0.000 0.315 156 R C 0.340 176.841 176.300 0.335 0.000 0.972 156 R CA 0.086 56.433 56.100 0.413 0.000 1.047 156 R CB 0.262 30.773 30.300 0.351 0.000 0.932 156 R HN 0.685 nan 8.270 nan 0.000 0.411 157 R N 4.693 125.396 120.500 0.338 0.000 2.774 157 R HA 0.277 4.616 4.340 -0.000 0.000 0.269 157 R C -2.182 174.229 176.300 0.185 0.000 1.068 157 R CA -1.365 54.846 56.100 0.185 0.000 1.180 157 R CB -0.334 30.011 30.300 0.075 0.000 1.077 157 R HN 0.271 nan 8.270 nan 0.000 0.513 158 P HA 0.128 nan 4.420 nan 0.000 0.275 158 P C -1.351 176.043 177.300 0.158 0.000 1.228 158 P CA -0.006 63.176 63.100 0.137 0.000 0.786 158 P CB 0.373 32.116 31.700 0.070 0.000 0.927 159 F N 0.999 120.898 119.950 -0.085 0.000 2.628 159 F HA 0.237 4.764 4.527 -0.000 0.000 0.309 159 F C -0.693 174.934 175.800 -0.289 0.000 1.108 159 F CA -0.868 56.941 58.000 -0.319 0.000 0.971 159 F CB 1.792 40.338 39.000 -0.756 0.000 1.279 159 F HN 0.107 nan 8.300 nan 0.000 0.441 160 D N 4.792 124.609 120.400 -0.971 0.000 2.608 160 D HA 0.145 4.785 4.640 -0.000 0.000 0.224 160 D C -0.461 175.574 176.300 -0.442 0.000 1.123 160 D CA 0.135 53.807 54.000 -0.548 0.000 1.030 160 D CB -0.694 39.824 40.800 -0.471 0.000 1.093 160 D HN 0.208 nan 8.370 nan 0.000 0.497 161 F N 1.465 121.418 119.950 0.006 0.000 2.578 161 F HA 0.124 4.651 4.527 -0.000 0.000 0.376 161 F C -0.800 174.958 175.800 -0.070 0.000 1.085 161 F CA -1.629 56.420 58.000 0.081 0.000 1.260 161 F CB 0.357 39.407 39.000 0.082 0.000 1.095 161 F HN 0.219 nan 8.300 nan 0.000 0.573 162 P HA -0.255 nan 4.420 nan 0.000 0.217 162 P C 1.251 178.563 177.300 0.020 0.000 1.162 162 P CA 1.661 64.733 63.100 -0.048 0.000 0.901 162 P CB 0.192 31.779 31.700 -0.188 0.000 0.793 163 D N -1.678 118.742 120.400 0.033 0.000 2.218 163 D HA -0.011 4.629 4.640 -0.000 0.000 0.204 163 D C 0.311 176.640 176.300 0.047 0.000 0.976 163 D CA 1.168 55.180 54.000 0.021 0.000 0.853 163 D CB -0.058 40.733 40.800 -0.016 0.000 0.939 163 D HN 0.070 nan 8.370 nan 0.000 0.481 164 S N -0.949 114.809 115.700 0.095 0.000 2.679 164 S HA 0.026 4.495 4.470 -0.000 0.000 0.326 164 S C -0.951 173.743 174.600 0.157 0.000 0.851 164 S CA -0.884 57.372 58.200 0.092 0.000 0.787 164 S CB 0.473 63.711 63.200 0.063 0.000 1.027 164 S HN 0.090 nan 8.310 nan 0.000 0.496 165 K N 2.805 123.276 120.400 0.117 0.000 2.440 165 K HA 0.247 4.566 4.320 -0.000 0.000 0.270 165 K C -0.428 176.268 176.600 0.160 0.000 0.980 165 K CA 0.396 56.758 56.287 0.125 0.000 0.953 165 K CB 0.337 32.861 32.500 0.041 0.000 0.925 165 K HN 0.707 nan 8.250 nan 0.000 0.497 166 E N 0.948 121.269 120.200 0.202 0.000 2.366 166 E HA 0.286 4.636 4.350 -0.000 0.000 0.278 166 E C -0.500 176.193 176.600 0.154 0.000 0.923 166 E CA -1.040 55.475 56.400 0.192 0.000 0.761 166 E CB 1.909 31.767 29.700 0.264 0.000 1.231 166 E HN 0.807 nan 8.360 nan 0.000 0.443 167 G N 0.803 109.677 108.800 0.123 0.000 2.531 167 G HA2 0.196 4.156 3.960 -0.000 0.000 0.281 167 G HA3 0.196 4.156 3.960 -0.000 0.000 0.281 167 G C -0.237 174.744 174.900 0.135 0.000 1.382 167 G CA -0.375 44.790 45.100 0.107 0.000 1.045 167 G HN 0.393 nan 8.290 nan 0.000 0.533 168 Q N -1.662 118.212 119.800 0.123 0.000 2.428 168 Q HA 0.374 4.714 4.340 -0.000 0.000 0.276 168 Q C -0.631 175.467 176.000 0.165 0.000 1.059 168 Q CA 0.422 56.313 55.803 0.146 0.000 0.923 168 Q CB 1.103 29.915 28.738 0.122 0.000 1.283 168 Q HN 0.196 nan 8.270 nan 0.000 0.447 169 V N 2.242 122.278 119.914 0.204 0.000 2.777 169 V HA 0.380 4.500 4.120 -0.000 0.000 0.306 169 V C -0.770 175.458 176.094 0.224 0.000 1.112 169 V CA -0.807 61.633 62.300 0.234 0.000 0.917 169 V CB 1.994 33.996 31.823 0.299 0.000 1.018 169 V HN 0.667 nan 8.190 nan 0.000 0.426 170 R N 2.511 123.117 120.500 0.177 0.000 2.246 170 R HA 0.801 5.141 4.340 -0.000 0.000 0.332 170 R C -0.482 175.876 176.300 0.097 0.000 0.974 170 R CA -0.112 56.067 56.100 0.132 0.000 0.837 170 R CB 1.382 31.743 30.300 0.102 0.000 1.145 170 R HN 0.963 nan 8.270 nan 0.000 0.467 171 A N 4.087 126.929 122.820 0.036 0.000 2.454 171 A HA 0.539 4.859 4.320 -0.000 0.000 0.302 171 A C -1.125 176.406 177.584 -0.089 0.000 1.079 171 A CA -0.833 51.157 52.037 -0.078 0.000 0.731 171 A CB 1.522 20.270 19.000 -0.420 0.000 1.299 171 A HN 0.757 nan 8.150 nan 0.000 0.413 172 R N 1.643 122.082 120.500 -0.102 0.000 2.343 172 R HA 0.574 4.913 4.340 -0.000 0.000 0.320 172 R C -1.728 174.475 176.300 -0.161 0.000 0.956 172 R CA -0.636 55.410 56.100 -0.090 0.000 0.836 172 R CB 0.564 30.833 30.300 -0.052 0.000 1.151 172 R HN 0.530 nan 8.270 nan 0.000 0.450 173 L N 3.709 124.831 121.223 -0.169 0.000 2.264 173 L HA 0.385 4.724 4.340 -0.000 0.000 0.289 173 L C 0.055 176.707 176.870 -0.363 0.000 1.044 173 L CA 0.010 54.661 54.840 -0.315 0.000 0.807 173 L CB 1.708 43.572 42.059 -0.325 0.000 1.192 173 L HN 0.591 nan 8.230 nan 0.000 0.425 174 T N 3.601 117.901 114.554 -0.424 0.000 2.797 174 T HA 0.642 4.992 4.350 -0.000 0.000 0.279 174 T C -0.545 173.888 174.700 -0.445 0.000 0.991 174 T CA -0.190 61.744 62.100 -0.277 0.000 0.979 174 T CB 0.510 69.292 68.868 -0.142 0.000 0.943 174 T HN 0.072 nan 8.240 nan 0.000 0.444 175 F N 1.650 121.565 119.950 -0.058 0.000 2.469 175 F HA 0.354 4.880 4.527 -0.000 0.000 0.332 175 F C 0.859 176.582 175.800 -0.127 0.000 1.103 175 F CA -0.985 56.963 58.000 -0.087 0.000 0.979 175 F CB 1.280 40.241 39.000 -0.065 0.000 1.137 175 F HN 0.398 nan 8.300 nan 0.000 0.463 176 D N 2.515 122.871 120.400 -0.073 0.000 2.970 176 D HA 0.281 4.920 4.640 -0.000 0.000 0.282 176 D C 1.105 177.311 176.300 -0.157 0.000 1.291 176 D CA 0.668 54.561 54.000 -0.179 0.000 0.967 176 D CB 0.215 40.782 40.800 -0.388 0.000 1.017 176 D HN 0.788 nan 8.370 nan 0.000 0.512 177 G N 2.904 111.691 108.800 -0.021 0.000 4.230 177 G HA2 -0.473 3.487 3.960 -0.000 0.000 0.340 177 G HA3 -0.473 3.487 3.960 -0.000 0.000 0.340 177 G C 1.112 176.020 174.900 0.013 0.000 1.315 177 G CA 0.877 45.972 45.100 -0.009 0.000 1.033 177 G HN 0.513 nan 8.290 nan 0.000 0.741 178 D N 1.886 122.303 120.400 0.029 0.000 2.092 178 D HA -0.023 4.617 4.640 -0.000 0.000 0.193 178 D C 1.251 177.665 176.300 0.189 0.000 0.994 178 D CA 2.203 56.276 54.000 0.122 0.000 0.828 178 D CB -0.578 40.358 40.800 0.226 0.000 0.963 178 D HN 0.916 nan 8.370 nan 0.000 0.450 179 H N -1.803 117.340 119.070 0.121 0.000 2.927 179 H HA 0.598 5.154 4.556 -0.000 0.000 0.316 179 H C -0.490 174.934 175.328 0.160 0.000 1.403 179 H CA -1.215 54.913 56.048 0.133 0.000 1.288 179 H CB 0.851 30.655 29.762 0.069 0.000 1.944 179 H HN -0.140 nan 8.280 nan 0.000 0.629 180 L N 1.220 122.545 121.223 0.171 0.000 2.360 180 L HA 0.261 4.601 4.340 -0.000 0.000 0.276 180 L C 0.936 177.800 176.870 -0.010 0.000 1.121 180 L CA 0.002 54.767 54.840 -0.125 0.000 0.845 180 L CB 0.989 42.974 42.059 -0.123 0.000 1.143 180 L HN 0.962 nan 8.230 nan 0.000 0.452 181 A N 3.000 125.731 122.820 -0.148 0.000 1.850 181 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 181 A C 0.792 178.343 177.584 -0.055 0.000 1.208 181 A CA 1.331 53.336 52.037 -0.054 0.000 0.609 181 A CB -0.032 18.909 19.000 -0.098 0.000 0.860 181 A HN 0.684 nan 8.150 nan 0.000 0.448 182 T N -2.377 112.098 114.554 -0.131 0.000 2.900 182 T HA 0.666 5.015 4.350 -0.000 0.000 0.303 182 T C -0.869 173.739 174.700 -0.154 0.000 1.142 182 T CA -0.618 61.418 62.100 -0.107 0.000 1.007 182 T CB 1.609 70.422 68.868 -0.092 0.000 1.156 182 T HN 0.180 nan 8.240 nan 0.000 0.490 183 I N 2.058 122.567 120.570 -0.102 0.000 2.389 183 I HA 0.550 4.719 4.170 -0.000 0.000 0.288 183 I C -0.769 175.315 176.117 -0.055 0.000 0.999 183 I CA -1.085 60.146 61.300 -0.116 0.000 1.129 183 I CB 1.603 39.540 38.000 -0.105 0.000 1.288 183 I HN 0.482 nan 8.210 nan 0.000 0.444 184 V N 5.230 125.087 119.914 -0.096 0.000 2.487 184 V HA 0.287 4.407 4.120 -0.000 0.000 0.298 184 V C 0.334 176.359 176.094 -0.116 0.000 1.028 184 V CA -0.836 61.378 62.300 -0.144 0.000 0.860 184 V CB 2.025 33.771 31.823 -0.128 0.000 0.991 184 V HN 0.671 nan 8.190 nan 0.000 0.427 185 N N 5.316 123.835 118.700 -0.301 0.000 2.416 185 N HA 0.056 4.795 4.740 -0.000 0.000 0.271 185 N C 1.123 176.581 175.510 -0.086 0.000 1.245 185 N CA -0.113 52.841 53.050 -0.159 0.000 0.940 185 N CB 0.869 39.079 38.487 -0.461 0.000 1.175 185 N HN 0.557 nan 8.380 nan 0.000 0.483 186 M N 1.578 121.173 119.600 -0.009 0.000 2.337 186 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 186 M C 1.666 177.961 176.300 -0.008 0.000 1.067 186 M CA 1.148 56.444 55.300 -0.008 0.000 1.074 186 M CB -0.646 31.966 32.600 0.021 0.000 1.395 186 M HN 0.677 nan 8.290 nan 0.000 0.431 187 E N 1.339 121.539 120.200 -0.000 0.000 2.028 187 E HA -0.200 4.150 4.350 -0.000 0.000 0.190 187 E C 1.034 177.618 176.600 -0.027 0.000 0.984 187 E CA 1.646 58.047 56.400 0.001 0.000 0.800 187 E CB 0.027 29.741 29.700 0.023 0.000 0.758 187 E HN 0.639 nan 8.360 nan 0.000 0.448 188 N N -0.159 118.505 118.700 -0.060 0.000 2.187 188 N HA 0.018 4.757 4.740 -0.000 0.000 0.212 188 N C -0.320 175.134 175.510 -0.093 0.000 1.152 188 N CA 0.090 53.096 53.050 -0.073 0.000 0.872 188 N CB 0.152 38.588 38.487 -0.085 0.000 1.025 188 N HN 0.083 nan 8.380 nan 0.000 0.514 189 N N -0.083 118.558 118.700 -0.099 0.000 2.713 189 N HA -0.210 4.529 4.740 -0.000 0.000 0.251 189 N C -0.740 174.686 175.510 -0.139 0.000 1.117 189 N CA 0.730 53.718 53.050 -0.103 0.000 0.770 189 N CB -0.929 37.516 38.487 -0.070 0.000 1.137 189 N HN 0.586 nan 8.380 nan 0.000 0.566 190 R N 0.481 120.861 120.500 -0.201 0.000 2.596 190 R HA 0.349 4.688 4.340 -0.000 0.000 0.267 190 R C 0.478 176.570 176.300 -0.347 0.000 1.026 190 R CA -0.523 55.434 56.100 -0.238 0.000 1.087 190 R CB 1.014 31.172 30.300 -0.237 0.000 1.132 190 R HN 0.133 nan 8.270 nan 0.000 0.531 191 Q N 1.069 120.703 119.800 -0.277 0.000 2.327 191 Q HA 0.161 4.501 4.340 -0.000 0.000 0.254 191 Q C -0.838 174.948 176.000 -0.356 0.000 0.952 191 Q CA 0.141 55.786 55.803 -0.263 0.000 0.884 191 Q CB 0.760 29.419 28.738 -0.130 0.000 1.224 191 Q HN 0.340 nan 8.270 nan 0.000 0.422 192 F N -0.404 119.471 119.950 -0.125 0.000 2.384 192 F HA 0.237 4.763 4.527 -0.000 0.000 0.338 192 F C 1.386 177.122 175.800 -0.107 0.000 1.103 192 F CA -0.242 57.675 58.000 -0.138 0.000 1.157 192 F CB 1.089 40.002 39.000 -0.146 0.000 1.167 192 F HN 0.745 nan 8.300 nan 0.000 0.529 193 G N 2.352 111.202 108.800 0.083 0.000 2.453 193 G HA2 0.056 4.016 3.960 -0.000 0.000 0.215 193 G HA3 0.056 4.016 3.960 -0.000 0.000 0.215 193 G C -0.328 174.685 174.900 0.188 0.000 1.147 193 G CA 0.420 45.575 45.100 0.091 0.000 0.802 193 G HN 0.537 nan 8.290 nan 0.000 0.535 194 F N -2.717 117.308 119.950 0.126 0.000 2.668 194 F HA 0.758 5.285 4.527 -0.000 0.000 0.309 194 F C -1.894 173.959 175.800 0.089 0.000 1.117 194 F CA -3.086 54.961 58.000 0.079 0.000 0.951 194 F CB 1.311 40.316 39.000 0.010 0.000 1.323 194 F HN -0.051 nan 8.300 nan 0.000 0.451 195 F N 2.534 122.499 119.950 0.025 0.000 2.574 195 F HA 0.665 5.191 4.527 -0.000 0.000 0.313 195 F C -1.070 174.681 175.800 -0.082 0.000 1.130 195 F CA -0.799 57.037 58.000 -0.275 0.000 0.936 195 F CB 1.722 40.508 39.000 -0.356 0.000 1.219 195 F HN 0.624 nan 8.300 nan 0.000 0.445 196 R N 6.514 126.537 120.500 -0.796 0.000 2.297 196 R HA 0.474 4.814 4.340 -0.000 0.000 0.308 196 R C -1.131 174.717 176.300 -0.753 0.000 1.029 196 R CA -0.893 54.829 56.100 -0.630 0.000 0.929 196 R CB 1.789 31.600 30.300 -0.814 0.000 1.046 196 R HN 0.671 nan 8.270 nan 0.000 0.461 197 L N 4.405 125.419 121.223 -0.347 0.000 2.289 197 L HA 0.172 4.511 4.340 -0.000 0.000 0.285 197 L C 0.138 177.044 176.870 0.060 0.000 1.049 197 L CA -0.695 54.043 54.840 -0.170 0.000 0.804 197 L CB 1.277 43.272 42.059 -0.108 0.000 1.195 197 L HN 0.740 nan 8.230 nan 0.000 0.428 198 D N 5.075 125.531 120.400 0.093 0.000 2.378 198 D HA 0.180 4.820 4.640 -0.000 0.000 0.238 198 D C -2.575 173.547 176.300 -0.296 0.000 1.180 198 D CA -1.220 52.616 54.000 -0.273 0.000 0.895 198 D CB 0.309 40.883 40.800 -0.378 0.000 1.192 198 D HN 0.208 nan 8.370 nan 0.000 0.438 199 P HA 0.267 nan 4.420 nan 0.000 0.286 199 P C -0.244 177.050 177.300 -0.010 0.000 1.261 199 P CA -0.671 62.317 63.100 -0.186 0.000 0.821 199 P CB 0.903 32.544 31.700 -0.098 0.000 1.013 200 R N 2.101 122.684 120.500 0.139 0.000 2.490 200 R HA 0.328 4.668 4.340 -0.000 0.000 0.278 200 R C -0.406 176.034 176.300 0.234 0.000 1.069 200 R CA -0.753 55.452 56.100 0.175 0.000 1.080 200 R CB 0.127 30.515 30.300 0.148 0.000 1.030 200 R HN 0.367 nan 8.270 nan 0.000 0.491 201 L N 5.803 127.114 121.223 0.148 0.000 2.361 201 L HA 0.153 4.493 4.340 -0.000 0.000 0.278 201 L C 0.590 177.391 176.870 -0.114 0.000 1.113 201 L CA 0.539 55.305 54.840 -0.124 0.000 0.849 201 L CB 0.723 42.698 42.059 -0.139 0.000 1.155 201 L HN 0.782 nan 8.230 nan 0.000 0.452 202 I N 2.556 123.012 120.570 -0.191 0.000 2.429 202 I HA 0.075 4.245 4.170 -0.000 0.000 0.247 202 I C 0.886 176.895 176.117 -0.181 0.000 1.099 202 I CA 0.733 61.915 61.300 -0.196 0.000 1.422 202 I CB 0.048 37.858 38.000 -0.317 0.000 1.112 202 I HN 0.729 nan 8.210 nan 0.000 0.430 203 T N -0.700 113.732 114.554 -0.203 0.000 2.686 203 T HA 0.346 4.696 4.350 -0.000 0.000 0.308 203 T C -1.505 173.087 174.700 -0.179 0.000 1.667 203 T CA -0.704 61.300 62.100 -0.159 0.000 0.987 203 T CB 1.135 69.925 68.868 -0.130 0.000 1.652 203 T HN -0.192 nan 8.240 nan 0.000 0.496 204 M N 1.836 121.352 119.600 -0.140 0.000 2.654 204 M HA 0.571 5.051 4.480 -0.000 0.000 0.310 204 M C -0.289 175.948 176.300 -0.105 0.000 1.211 204 M CA -0.908 54.314 55.300 -0.131 0.000 0.947 204 M CB 1.053 33.581 32.600 -0.119 0.000 1.647 204 M HN 0.514 nan 8.290 nan 0.000 0.481 205 I N 1.505 122.021 120.570 -0.091 0.000 2.306 205 I HA 0.147 4.317 4.170 -0.000 0.000 0.288 205 I C 0.141 176.221 176.117 -0.062 0.000 1.036 205 I CA -0.467 60.790 61.300 -0.072 0.000 1.221 205 I CB 1.011 38.973 38.000 -0.063 0.000 1.385 205 I HN 0.665 nan 8.210 nan 0.000 0.472 206 S N 4.306 119.969 115.700 -0.061 0.000 3.129 206 S HA -0.090 4.380 4.470 -0.000 0.000 0.371 206 S C 0.440 175.014 174.600 -0.044 0.000 1.196 206 S CA 0.008 58.174 58.200 -0.056 0.000 0.989 206 S CB -0.094 63.076 63.200 -0.049 0.000 0.695 206 S HN 0.784 nan 8.310 nan 0.000 0.499 207 S N 3.265 118.939 115.700 -0.043 0.000 2.578 207 S HA 0.485 4.955 4.470 -0.000 0.000 0.283 207 S C -1.850 172.736 174.600 -0.022 0.000 1.195 207 S CA -1.663 56.520 58.200 -0.028 0.000 1.050 207 S CB 1.209 64.395 63.200 -0.023 0.000 1.012 207 S HN 0.302 nan 8.310 nan 0.000 0.511 208 P HA -0.165 nan 4.420 nan 0.000 0.218 208 P C 1.185 178.481 177.300 -0.008 0.000 1.154 208 P CA 1.317 64.412 63.100 -0.008 0.000 0.872 208 P CB -0.114 31.585 31.700 -0.001 0.000 0.790 209 N N -1.206 117.492 118.700 -0.003 0.000 2.096 209 N HA -0.170 4.570 4.740 -0.000 0.000 0.195 209 N C 1.588 177.090 175.510 -0.013 0.000 1.017 209 N CA 2.167 55.216 53.050 -0.002 0.000 0.870 209 N CB -0.950 37.538 38.487 0.003 0.000 1.024 209 N HN 0.290 nan 8.380 nan 0.000 0.434 210 G N -0.728 108.057 108.800 -0.025 0.000 2.199 210 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.254 210 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.254 210 G C -0.241 174.634 174.900 -0.042 0.000 0.982 210 G CA 0.330 45.411 45.100 -0.031 0.000 0.632 210 G HN 0.462 nan 8.290 nan 0.000 0.529 211 E N 0.424 120.596 120.200 -0.047 0.000 2.134 211 E HA 0.533 4.883 4.350 -0.000 0.000 0.278 211 E C -0.394 176.137 176.600 -0.115 0.000 0.959 211 E CA -0.430 55.926 56.400 -0.074 0.000 0.783 211 E CB 1.305 30.963 29.700 -0.070 0.000 1.095 211 E HN 0.219 nan 8.360 nan 0.000 0.399 212 Q N 2.679 122.390 119.800 -0.148 0.000 2.322 212 Q HA 0.380 4.719 4.340 -0.000 0.000 0.265 212 Q C -1.074 174.807 176.000 -0.198 0.000 0.985 212 Q CA -0.227 55.479 55.803 -0.161 0.000 0.849 212 Q CB 1.233 29.870 28.738 -0.169 0.000 1.274 212 Q HN 0.368 nan 8.270 nan 0.000 0.449 213 R N 2.028 122.421 120.500 -0.179 0.000 2.837 213 R HA 0.647 4.987 4.340 -0.000 0.000 0.271 213 R C -1.520 174.734 176.300 -0.078 0.000 0.993 213 R CA -1.190 54.800 56.100 -0.184 0.000 0.931 213 R CB 1.553 31.656 30.300 -0.329 0.000 1.206 213 R HN 0.438 nan 8.270 nan 0.000 0.474 214 L N 2.566 123.772 121.223 -0.027 0.000 2.388 214 L HA 0.394 4.734 4.340 -0.000 0.000 0.267 214 L C -1.306 175.633 176.870 0.115 0.000 0.995 214 L CA -0.483 54.381 54.840 0.040 0.000 0.864 214 L CB 0.953 43.024 42.059 0.020 0.000 1.216 214 L HN 0.492 nan 8.230 nan 0.000 0.430 215 F N 5.665 125.631 119.950 0.027 0.000 2.541 215 F HA 0.475 5.002 4.527 -0.000 0.000 0.378 215 F C -0.469 175.360 175.800 0.048 0.000 1.068 215 F CA 0.163 58.211 58.000 0.079 0.000 1.199 215 F CB 0.601 39.678 39.000 0.127 0.000 1.091 215 F HN 0.217 nan 8.300 nan 0.000 0.555 216 V N 8.551 128.052 119.914 -0.688 0.000 2.577 216 V HA 0.361 4.481 4.120 -0.000 0.000 0.303 216 V C -2.108 173.346 176.094 -1.066 0.000 1.042 216 V CA -1.863 59.971 62.300 -0.777 0.000 0.872 216 V CB 1.897 33.389 31.823 -0.552 0.000 0.998 216 V HN 0.638 nan 8.190 nan 0.000 0.423 217 P HA 0.207 nan 4.420 nan 0.000 0.274 217 P C 0.777 177.902 177.300 -0.293 0.000 1.260 217 P CA -0.422 62.388 63.100 -0.484 0.000 0.793 217 P CB 0.612 32.166 31.700 -0.243 0.000 1.048 218 R N 1.075 121.602 120.500 0.045 0.000 2.091 218 R HA -0.125 4.214 4.340 -0.000 0.000 0.238 218 R C 2.089 178.448 176.300 0.097 0.000 1.136 218 R CA 2.568 58.802 56.100 0.224 0.000 0.959 218 R CB -1.460 28.948 30.300 0.180 0.000 0.856 218 R HN 0.649 nan 8.270 nan 0.000 0.437 219 S N -0.930 114.754 115.700 -0.026 0.000 2.383 219 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 219 S C 2.145 176.667 174.600 -0.130 0.000 1.030 219 S CA 1.276 59.448 58.200 -0.046 0.000 1.002 219 S CB -0.915 62.257 63.200 -0.046 0.000 0.829 219 S HN 0.441 nan 8.310 nan 0.000 0.467 220 G N 0.465 109.068 108.800 -0.328 0.000 2.535 220 G HA2 0.091 4.050 3.960 -0.000 0.000 0.218 220 G HA3 0.091 4.050 3.960 -0.000 0.000 0.218 220 G C 0.102 174.745 174.900 -0.428 0.000 1.122 220 G CA 0.037 44.879 45.100 -0.430 0.000 0.769 220 G HN 0.500 nan 8.290 nan 0.000 0.549 221 F N 0.878 120.799 119.950 -0.049 0.000 2.394 221 F HA 0.422 4.949 4.527 -0.000 0.000 0.340 221 F C -2.067 173.706 175.800 -0.046 0.000 1.105 221 F CA -3.246 54.722 58.000 -0.053 0.000 1.124 221 F CB 1.416 40.368 39.000 -0.080 0.000 1.145 221 F HN -0.199 nan 8.300 nan 0.000 0.505 222 P HA 0.118 nan 4.420 nan 0.000 0.276 222 P C 0.295 177.620 177.300 0.042 0.000 1.253 222 P CA -0.086 63.051 63.100 0.062 0.000 0.766 222 P CB 0.705 32.430 31.700 0.043 0.000 0.845 223 D N 2.329 122.747 120.400 0.030 0.000 2.600 223 D HA -0.253 4.387 4.640 -0.000 0.000 0.194 223 D C 1.883 178.177 176.300 -0.011 0.000 1.040 223 D CA 1.676 55.682 54.000 0.011 0.000 0.871 223 D CB -0.533 40.272 40.800 0.008 0.000 0.973 223 D HN 0.378 nan 8.370 nan 0.000 0.470 224 L N 0.438 121.655 121.223 -0.011 0.000 2.043 224 L HA -0.191 4.148 4.340 -0.000 0.000 0.212 224 L C 2.713 179.559 176.870 -0.041 0.000 1.075 224 L CA 1.100 55.927 54.840 -0.022 0.000 0.752 224 L CB -0.622 41.426 42.059 -0.017 0.000 0.891 224 L HN 0.197 nan 8.230 nan 0.000 0.432 225 L N -2.325 118.868 121.223 -0.051 0.000 2.291 225 L HA -0.064 4.276 4.340 -0.000 0.000 0.214 225 L C 2.310 179.068 176.870 -0.186 0.000 1.120 225 L CA 0.751 55.526 54.840 -0.109 0.000 0.799 225 L CB -0.189 41.795 42.059 -0.125 0.000 0.925 225 L HN -0.089 nan 8.230 nan 0.000 0.446 226 V N 1.001 120.830 119.914 -0.142 0.000 2.379 226 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 226 V C 2.208 178.237 176.094 -0.107 0.000 1.044 226 V CA 2.039 64.249 62.300 -0.151 0.000 1.036 226 V CB -0.380 31.386 31.823 -0.096 0.000 0.664 226 V HN 0.532 nan 8.190 nan 0.000 0.453 227 D N -0.208 120.150 120.400 -0.070 0.000 2.078 227 D HA -0.153 4.487 4.640 -0.000 0.000 0.193 227 D C 2.195 178.465 176.300 -0.050 0.000 0.990 227 D CA 2.004 55.973 54.000 -0.051 0.000 0.827 227 D CB -0.802 39.977 40.800 -0.035 0.000 0.975 227 D HN 0.366 nan 8.370 nan 0.000 0.451 228 T N 1.573 116.098 114.554 -0.048 0.000 2.737 228 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 228 T C 1.911 176.593 174.700 -0.029 0.000 1.040 228 T CA 0.711 62.792 62.100 -0.032 0.000 1.142 228 T CB -0.346 68.509 68.868 -0.022 0.000 0.861 228 T HN 0.016 nan 8.240 nan 0.000 0.456 229 L N 0.924 122.108 121.223 -0.066 0.000 2.005 229 L HA 0.129 4.469 4.340 -0.000 0.000 0.207 229 L C 1.868 178.702 176.870 -0.060 0.000 1.072 229 L CA 1.649 56.453 54.840 -0.060 0.000 0.744 229 L CB -0.618 41.350 42.059 -0.153 0.000 0.895 229 L HN 0.250 nan 8.230 nan 0.000 0.433 230 L N -0.361 120.813 121.223 -0.081 0.000 2.675 230 L HA 0.053 4.393 4.340 -0.000 0.000 0.239 230 L C 1.765 178.609 176.870 -0.044 0.000 1.151 230 L CA 0.473 55.269 54.840 -0.073 0.000 0.905 230 L CB -0.738 41.275 42.059 -0.076 0.000 1.057 230 L HN 0.369 nan 8.230 nan 0.000 0.435 231 A N -0.821 121.980 122.820 -0.032 0.000 2.382 231 A HA 0.052 4.372 4.320 -0.000 0.000 0.228 231 A C 1.939 179.517 177.584 -0.010 0.000 1.217 231 A CA 0.711 52.736 52.037 -0.020 0.000 0.923 231 A CB -0.078 18.911 19.000 -0.019 0.000 0.979 231 A HN 0.363 nan 8.150 nan 0.000 0.515 232 T N -3.365 111.188 114.554 -0.003 0.000 3.023 232 T HA 0.400 4.750 4.350 -0.000 0.000 0.253 232 T C 0.350 175.060 174.700 0.016 0.000 1.038 232 T CA 0.349 62.457 62.100 0.014 0.000 0.962 232 T CB 0.183 69.071 68.868 0.034 0.000 1.018 232 T HN 0.386 nan 8.240 nan 0.000 0.521 268 L N 1.226 122.424 121.223 -0.042 0.000 2.109 268 L HA 0.065 4.405 4.340 -0.000 0.000 0.207 268 L C 2.457 179.329 176.870 0.003 0.000 1.086 268 L CA 2.271 57.031 54.840 -0.134 0.000 0.760 268 L CB -0.841 41.049 42.059 -0.281 0.000 0.910 268 L HN 0.387 nan 8.230 nan 0.000 0.437 269 T N -1.245 113.330 114.554 0.035 0.000 2.821 269 T HA -0.250 4.099 4.350 -0.000 0.000 0.267 269 T C 1.740 176.519 174.700 0.132 0.000 1.046 269 T CA 1.769 63.925 62.100 0.094 0.000 1.139 269 T CB 0.193 69.108 68.868 0.078 0.000 0.871 269 T HN 0.302 nan 8.240 nan 0.000 0.454 270 Q N 0.579 120.445 119.800 0.110 0.000 2.050 270 Q HA -0.062 4.278 4.340 -0.000 0.000 0.202 270 Q C 2.388 178.481 176.000 0.155 0.000 0.980 270 Q CA 1.802 57.678 55.803 0.121 0.000 0.840 270 Q CB -0.198 28.593 28.738 0.088 0.000 0.898 270 Q HN 0.629 nan 8.270 nan 0.000 0.424 271 Q N -0.269 119.641 119.800 0.183 0.000 2.124 271 Q HA -0.150 4.190 4.340 -0.000 0.000 0.202 271 Q C 2.144 178.291 176.000 0.245 0.000 0.977 271 Q CA 1.172 57.117 55.803 0.237 0.000 0.850 271 Q CB -0.195 28.766 28.738 0.371 0.000 0.901 271 Q HN 0.426 nan 8.270 nan 0.000 0.429 272 L N 0.721 122.120 121.223 0.293 0.000 1.989 272 L HA -0.197 4.143 4.340 -0.000 0.000 0.211 272 L C 2.424 179.393 176.870 0.164 0.000 1.071 272 L CA 1.506 56.494 54.840 0.245 0.000 0.749 272 L CB -0.374 41.842 42.059 0.262 0.000 0.890 272 L HN 0.232 nan 8.230 nan 0.000 0.431 273 V N -2.290 117.758 119.914 0.223 0.000 2.343 273 V HA -0.290 3.829 4.120 -0.000 0.000 0.247 273 V C 2.526 178.775 176.094 0.258 0.000 1.051 273 V CA 2.066 64.570 62.300 0.340 0.000 1.036 273 V CB -1.037 31.007 31.823 0.368 0.000 0.654 273 V HN 0.491 nan 8.190 nan 0.000 0.451 274 K N 1.078 121.591 120.400 0.187 0.000 2.074 274 K HA -0.275 4.045 4.320 -0.000 0.000 0.209 274 K C 1.896 178.557 176.600 0.102 0.000 1.048 274 K CA 2.476 58.850 56.287 0.144 0.000 0.926 274 K CB -0.265 32.307 32.500 0.120 0.000 0.713 274 K HN 0.607 nan 8.250 nan 0.000 0.444 275 N N 0.304 119.049 118.700 0.075 0.000 2.290 275 N HA -0.033 4.707 4.740 -0.000 0.000 0.179 275 N C 1.555 177.061 175.510 -0.006 0.000 1.016 275 N CA 0.620 53.691 53.050 0.034 0.000 0.871 275 N CB 0.075 38.576 38.487 0.023 0.000 0.987 275 N HN 0.122 nan 8.380 nan 0.000 0.431 276 L N -1.335 119.834 121.223 -0.089 0.000 2.270 276 L HA 0.140 4.479 4.340 -0.000 0.000 0.210 276 L C 0.463 177.025 176.870 -0.513 0.000 1.104 276 L CA 0.973 55.596 54.840 -0.362 0.000 0.804 276 L CB 0.150 41.815 42.059 -0.656 0.000 0.937 276 L HN 0.094 nan 8.230 nan 0.000 0.450 277 F N -1.465 118.521 119.950 0.061 0.000 2.778 277 F HA 0.295 4.822 4.527 -0.000 0.000 0.314 277 F C 0.444 176.279 175.800 0.058 0.000 1.073 277 F CA -0.365 57.664 58.000 0.050 0.000 1.218 277 F CB 0.243 39.268 39.000 0.042 0.000 1.037 277 F HN -0.229 nan 8.300 nan 0.000 0.594 278 L N -1.021 120.329 121.223 0.212 0.000 2.271 278 L HA 0.676 5.016 4.340 -0.000 0.000 0.265 278 L C 0.473 177.404 176.870 0.102 0.000 1.013 278 L CA -0.947 53.990 54.840 0.161 0.000 0.820 278 L CB 1.481 43.639 42.059 0.165 0.000 1.352 278 L HN -0.071 nan 8.230 nan 0.000 0.443 279 S N -1.114 114.639 115.700 0.088 0.000 2.667 279 S HA 0.520 4.990 4.470 -0.000 0.000 0.292 279 S C 0.047 174.678 174.600 0.052 0.000 1.108 279 S CA -0.340 57.895 58.200 0.058 0.000 0.992 279 S CB 1.160 64.390 63.200 0.050 0.000 1.269 279 S HN 0.725 nan 8.310 nan 0.000 0.528 280 S N 0.848 116.569 115.700 0.035 0.000 2.576 280 S HA 0.181 4.650 4.470 -0.000 0.000 0.272 280 S C 0.534 175.164 174.600 0.049 0.000 1.352 280 S CA -0.595 57.623 58.200 0.030 0.000 1.021 280 S CB -0.357 62.852 63.200 0.014 0.000 0.887 280 S HN 0.837 nan 8.310 nan 0.000 0.542 281 E N 1.276 121.506 120.200 0.049 0.000 2.570 281 E HA -0.014 4.335 4.350 -0.000 0.000 0.263 281 E C 0.027 176.670 176.600 0.073 0.000 1.390 281 E CA -0.302 56.138 56.400 0.068 0.000 1.115 281 E CB 0.116 29.851 29.700 0.058 0.000 0.970 281 E HN 0.513 nan 8.360 nan 0.000 0.545 282 R N -0.334 120.222 120.500 0.094 0.000 2.726 282 R HA 0.151 4.490 4.340 -0.000 0.000 0.272 282 R C 1.418 177.806 176.300 0.147 0.000 1.097 282 R CA -0.094 56.077 56.100 0.118 0.000 1.198 282 R CB 0.265 30.650 30.300 0.141 0.000 1.114 282 R HN 0.586 nan 8.270 nan 0.000 0.550 283 S N 0.336 116.117 115.700 0.135 0.000 2.315 283 S HA -0.063 4.406 4.470 -0.000 0.000 0.211 283 S C 1.670 176.341 174.600 0.117 0.000 1.029 283 S CA 0.613 58.862 58.200 0.082 0.000 0.956 283 S CB -0.600 62.585 63.200 -0.024 0.000 0.918 283 S HN 0.593 nan 8.310 nan 0.000 0.470 284 Y N 0.702 121.037 120.300 0.057 0.000 2.110 284 Y HA -0.360 4.189 4.550 -0.000 0.000 0.258 284 Y C 2.213 178.065 175.900 -0.080 0.000 1.271 284 Y CA 2.270 60.349 58.100 -0.035 0.000 1.080 284 Y CB -0.627 37.785 38.460 -0.079 0.000 0.892 284 Y HN 0.333 nan 8.280 nan 0.000 0.510 285 W N -0.849 120.560 121.300 0.183 0.000 2.443 285 W HA -0.034 4.625 4.660 -0.000 0.000 0.296 285 W C 2.723 179.300 176.519 0.097 0.000 1.202 285 W CA 1.313 58.727 57.345 0.114 0.000 1.312 285 W CB -0.457 29.053 29.460 0.083 0.000 1.120 285 W HN -0.133 nan 8.180 nan 0.000 0.536 286 R N 1.797 122.481 120.500 0.308 0.000 2.088 286 R HA -0.246 4.094 4.340 -0.000 0.000 0.232 286 R C 2.254 178.644 176.300 0.151 0.000 1.136 286 R CA 2.212 58.435 56.100 0.206 0.000 0.926 286 R CB -0.844 29.551 30.300 0.158 0.000 0.837 286 R HN 0.083 nan 8.270 nan 0.000 0.429 287 K N -0.051 120.402 120.400 0.088 0.000 2.107 287 K HA -0.223 4.096 4.320 -0.000 0.000 0.211 287 K C 1.798 178.426 176.600 0.046 0.000 1.049 287 K CA 2.009 58.312 56.287 0.028 0.000 0.927 287 K CB -0.234 32.217 32.500 -0.083 0.000 0.714 287 K HN 0.334 nan 8.250 nan 0.000 0.452 288 A N 0.859 123.708 122.820 0.049 0.000 1.874 288 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 288 A C 1.908 179.583 177.584 0.151 0.000 1.189 288 A CA 1.560 53.627 52.037 0.050 0.000 0.615 288 A CB -0.774 18.200 19.000 -0.044 0.000 0.830 288 A HN 0.604 nan 8.150 nan 0.000 0.443 289 N N 0.125 118.951 118.700 0.210 0.000 2.104 289 N HA -0.247 4.492 4.740 -0.000 0.000 0.190 289 N C 1.793 177.451 175.510 0.247 0.000 1.024 289 N CA 1.883 55.106 53.050 0.289 0.000 0.853 289 N CB -0.165 38.500 38.487 0.296 0.000 1.008 289 N HN 0.760 nan 8.380 nan 0.000 0.424 290 E N -0.142 120.171 120.200 0.190 0.000 2.072 290 E HA -0.068 4.282 4.350 -0.000 0.000 0.190 290 E C 2.032 178.724 176.600 0.154 0.000 0.982 290 E CA 0.988 57.486 56.400 0.163 0.000 0.803 290 E CB -0.362 29.431 29.700 0.154 0.000 0.755 290 E HN 0.338 nan 8.360 nan 0.000 0.453 291 A N 0.790 123.699 122.820 0.148 0.000 1.986 291 A HA -0.224 4.095 4.320 -0.000 0.000 0.220 291 A C 2.067 179.771 177.584 0.200 0.000 1.171 291 A CA 1.572 53.691 52.037 0.136 0.000 0.640 291 A CB -0.887 18.170 19.000 0.096 0.000 0.811 291 A HN 0.482 nan 8.150 nan 0.000 0.451 292 Y N -0.128 120.212 120.300 0.066 0.000 2.220 292 Y HA -0.044 4.506 4.550 -0.000 0.000 0.291 292 Y C 2.285 178.198 175.900 0.022 0.000 1.129 292 Y CA 1.482 59.617 58.100 0.059 0.000 1.161 292 Y CB -0.481 38.045 38.460 0.110 0.000 0.997 292 Y HN 0.302 nan 8.280 nan 0.000 0.522 293 M N -0.865 118.747 119.600 0.020 0.000 2.296 293 M HA -0.129 4.351 4.480 -0.000 0.000 0.265 293 M C 2.343 178.629 176.300 -0.023 0.000 1.064 293 M CA 1.317 56.548 55.300 -0.114 0.000 1.109 293 M CB -0.368 32.163 32.600 -0.115 0.000 1.396 293 M HN 0.308 nan 8.290 nan 0.000 0.430 294 A N 0.528 123.382 122.820 0.057 0.000 1.873 294 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 294 A C 1.973 179.590 177.584 0.056 0.000 1.186 294 A CA 1.448 53.532 52.037 0.079 0.000 0.616 294 A CB -0.618 18.438 19.000 0.094 0.000 0.823 294 A HN 0.356 nan 8.150 nan 0.000 0.442 295 L N -0.241 121.012 121.223 0.050 0.000 2.072 295 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 295 L C 2.376 179.239 176.870 -0.012 0.000 1.079 295 L CA 1.281 56.144 54.840 0.038 0.000 0.752 295 L CB -0.534 41.571 42.059 0.077 0.000 0.906 295 L HN 0.376 nan 8.230 nan 0.000 0.436 296 I N -1.336 119.181 120.570 -0.088 0.000 2.163 296 I HA -0.376 3.794 4.170 -0.000 0.000 0.243 296 I C 2.533 178.616 176.117 -0.057 0.000 1.085 296 I CA 1.440 62.657 61.300 -0.140 0.000 1.347 296 I CB -0.284 37.544 38.000 -0.287 0.000 1.044 296 I HN 0.321 nan 8.210 nan 0.000 0.408 297 M N 1.100 120.701 119.600 0.001 0.000 2.126 297 M HA -0.296 4.184 4.480 -0.000 0.000 0.259 297 M C 1.905 178.280 176.300 0.124 0.000 1.073 297 M CA 2.065 57.436 55.300 0.118 0.000 1.103 297 M CB -0.565 32.120 32.600 0.142 0.000 1.284 297 M HN 0.058 nan 8.290 nan 0.000 0.420 298 D N -0.361 120.091 120.400 0.086 0.000 2.354 298 D HA -0.061 4.579 4.640 -0.000 0.000 0.216 298 D C 1.630 177.955 176.300 0.040 0.000 0.970 298 D CA 1.211 55.257 54.000 0.075 0.000 0.905 298 D CB -0.022 40.812 40.800 0.057 0.000 0.903 298 D HN 0.515 nan 8.370 nan 0.000 0.508 299 A N 0.161 122.985 122.820 0.007 0.000 1.850 299 A HA -0.016 4.304 4.320 -0.000 0.000 0.212 299 A C 2.084 179.619 177.584 -0.081 0.000 1.208 299 A CA 0.605 52.624 52.037 -0.031 0.000 0.609 299 A CB -0.028 18.945 19.000 -0.045 0.000 0.860 299 A HN 0.000 nan 8.150 nan 0.000 0.448 300 R N -1.449 118.959 120.500 -0.153 0.000 2.313 300 R HA 0.211 4.550 4.340 -0.000 0.000 0.199 300 R C -0.888 175.030 176.300 -0.636 0.000 0.958 300 R CA 0.232 56.106 56.100 -0.378 0.000 1.047 300 R CB -0.474 29.542 30.300 -0.473 0.000 0.955 300 R HN 0.581 nan 8.270 nan 0.000 0.481 301 Y N -1.300 119.001 120.300 0.002 0.000 2.576 301 Y HA 0.279 4.829 4.550 -0.000 0.000 0.346 301 Y C 0.540 176.452 175.900 0.020 0.000 1.018 301 Y CA -1.266 56.842 58.100 0.014 0.000 1.050 301 Y CB 1.579 40.053 38.460 0.023 0.000 1.280 301 Y HN -0.176 nan 8.280 nan 0.000 0.474 302 S N 0.416 116.252 115.700 0.226 0.000 2.745 302 S HA 0.405 4.875 4.470 -0.000 0.000 0.292 302 S C 0.936 175.597 174.600 0.102 0.000 1.133 302 S CA -0.801 57.474 58.200 0.124 0.000 0.998 302 S CB 1.964 65.228 63.200 0.106 0.000 1.087 302 S HN 0.797 nan 8.310 nan 0.000 0.551 303 K N 0.658 121.100 120.400 0.069 0.000 2.050 303 K HA -0.303 4.016 4.320 -0.000 0.000 0.233 303 K C 1.055 177.690 176.600 0.059 0.000 0.929 303 K CA 2.653 58.971 56.287 0.051 0.000 1.037 303 K CB -0.984 31.540 32.500 0.040 0.000 0.663 303 K HN 0.686 nan 8.250 nan 0.000 0.589 304 D N -0.321 120.119 120.400 0.065 0.000 2.228 304 D HA -0.153 4.486 4.640 -0.000 0.000 0.203 304 D C 2.061 178.423 176.300 0.103 0.000 0.988 304 D CA 1.017 55.064 54.000 0.079 0.000 0.864 304 D CB -0.241 40.610 40.800 0.086 0.000 0.928 304 D HN 0.269 nan 8.370 nan 0.000 0.469 305 R N 0.546 121.109 120.500 0.106 0.000 2.115 305 R HA -0.004 4.335 4.340 -0.000 0.000 0.226 305 R C 1.943 178.297 176.300 0.090 0.000 1.100 305 R CA 0.608 56.772 56.100 0.107 0.000 0.980 305 R CB -0.414 29.954 30.300 0.113 0.000 0.875 305 R HN 0.096 nan 8.270 nan 0.000 0.445 306 I N 1.368 121.993 120.570 0.091 0.000 2.163 306 I HA -0.218 3.952 4.170 -0.000 0.000 0.240 306 I C 2.097 178.287 176.117 0.123 0.000 1.081 306 I CA 1.306 62.662 61.300 0.092 0.000 1.353 306 I CB -1.083 36.965 38.000 0.080 0.000 1.054 306 I HN 0.303 nan 8.210 nan 0.000 0.407 307 L N -0.774 120.498 121.223 0.082 0.000 2.395 307 L HA 0.023 4.363 4.340 -0.000 0.000 0.218 307 L C 2.137 179.070 176.870 0.105 0.000 1.130 307 L CA 1.121 56.003 54.840 0.071 0.000 0.826 307 L CB -0.703 41.313 42.059 -0.072 0.000 0.941 307 L HN 0.272 nan 8.230 nan 0.000 0.451 308 E N 1.110 121.403 120.200 0.155 0.000 2.208 308 E HA -0.153 4.197 4.350 -0.000 0.000 0.193 308 E C 2.110 178.931 176.600 0.369 0.000 0.988 308 E CA 0.856 57.420 56.400 0.274 0.000 0.828 308 E CB -0.017 29.867 29.700 0.306 0.000 0.763 308 E HN 0.682 nan 8.360 nan 0.000 0.478 309 L N -0.168 121.239 121.223 0.306 0.000 2.162 309 L HA -0.058 4.282 4.340 -0.000 0.000 0.205 309 L C 2.354 179.460 176.870 0.394 0.000 1.086 309 L CA 0.697 55.758 54.840 0.369 0.000 0.778 309 L CB -0.391 41.762 42.059 0.156 0.000 0.928 309 L HN 0.221 nan 8.230 nan 0.000 0.446 310 Y N 0.922 121.322 120.300 0.166 0.000 2.114 310 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 310 Y C 2.506 178.481 175.900 0.124 0.000 1.143 310 Y CA 1.713 59.890 58.100 0.128 0.000 1.135 310 Y CB -0.102 38.396 38.460 0.063 0.000 0.980 310 Y HN 0.025 nan 8.280 nan 0.000 0.499 311 M N 0.306 120.034 119.600 0.213 0.000 2.632 311 M HA -0.158 4.322 4.480 -0.000 0.000 0.256 311 M C 0.798 177.198 176.300 0.166 0.000 1.080 311 M CA 1.045 56.375 55.300 0.051 0.000 1.084 311 M CB -0.166 32.023 32.600 -0.684 0.000 1.439 311 M HN 0.350 nan 8.290 nan 0.000 0.509 312 N N -0.196 118.622 118.700 0.197 0.000 2.184 312 N HA -0.005 4.735 4.740 -0.000 0.000 0.206 312 N C 1.258 176.652 175.510 -0.194 0.000 1.151 312 N CA 0.440 53.569 53.050 0.131 0.000 0.878 312 N CB 0.696 39.413 38.487 0.382 0.000 1.014 312 N HN 0.362 nan 8.380 nan 0.000 0.512 313 E N 0.750 120.894 120.200 -0.093 0.000 2.364 313 E HA -0.002 4.348 4.350 -0.000 0.000 0.203 313 E C 0.399 176.896 176.600 -0.172 0.000 0.888 313 E CA 0.004 56.311 56.400 -0.156 0.000 0.989 313 E CB 0.283 30.070 29.700 0.145 0.000 0.985 313 E HN -0.012 nan 8.360 nan 0.000 0.499 314 V N 1.206 120.987 119.914 -0.222 0.000 2.694 314 V HA 0.009 4.128 4.120 -0.000 0.000 0.306 314 V C 0.169 176.187 176.094 -0.127 0.000 1.054 314 V CA -0.305 61.864 62.300 -0.219 0.000 1.161 314 V CB -0.202 31.446 31.823 -0.292 0.000 0.916 314 V HN 0.240 nan 8.190 nan 0.000 0.490 315 Y N 4.482 124.687 120.300 -0.159 0.000 2.531 315 Y HA 0.430 4.980 4.550 -0.000 0.000 0.347 315 Y C 0.833 176.667 175.900 -0.110 0.000 1.024 315 Y CA -0.099 57.927 58.100 -0.123 0.000 1.306 315 Y CB 0.689 39.099 38.460 -0.083 0.000 1.149 315 Y HN 0.723 nan 8.280 nan 0.000 0.527 316 L N 5.478 126.367 121.223 -0.557 0.000 2.920 316 L HA 0.477 4.817 4.340 -0.000 0.000 0.257 316 L C 0.790 177.480 176.870 -0.299 0.000 1.150 316 L CA 0.301 54.919 54.840 -0.370 0.000 0.959 316 L CB 0.508 42.389 42.059 -0.296 0.000 1.321 316 L HN 0.808 nan 8.230 nan 0.000 0.555 317 G N -0.327 108.043 108.800 -0.717 0.000 2.488 317 G HA2 0.446 4.406 3.960 -0.000 0.000 0.301 317 G HA3 0.446 4.406 3.960 -0.000 0.000 0.301 317 G C -2.124 172.513 174.900 -0.438 0.000 1.339 317 G CA -0.274 44.617 45.100 -0.349 0.000 0.803 317 G HN -0.168 nan 8.290 nan 0.000 0.482 318 Q N -0.182 119.556 119.800 -0.103 0.000 2.309 318 Q HA 0.624 4.964 4.340 -0.000 0.000 0.254 318 Q C -1.211 174.774 176.000 -0.024 0.000 0.938 318 Q CA -0.376 55.415 55.803 -0.021 0.000 0.789 318 Q CB 1.838 30.662 28.738 0.144 0.000 1.313 318 Q HN 0.605 nan 8.270 nan 0.000 0.438 319 S N 3.384 119.001 115.700 -0.138 0.000 2.434 319 S HA 0.627 5.097 4.470 -0.000 0.000 0.318 319 S C 0.764 175.341 174.600 -0.038 0.000 1.062 319 S CA 0.670 58.834 58.200 -0.060 0.000 1.116 319 S CB -0.118 62.969 63.200 -0.188 0.000 0.977 319 S HN 1.062 nan 8.310 nan 0.000 0.480 320 G N 5.183 113.978 108.800 -0.008 0.000 2.815 320 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.326 320 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.326 320 G C -0.030 174.863 174.900 -0.012 0.000 1.191 320 G CA 0.904 45.994 45.100 -0.016 0.000 0.965 320 G HN 0.826 nan 8.290 nan 0.000 0.564 321 D N 0.612 120.999 120.400 -0.021 0.000 2.720 321 D HA 0.412 5.052 4.640 -0.000 0.000 0.285 321 D C -0.101 176.183 176.300 -0.026 0.000 1.359 321 D CA -0.484 53.507 54.000 -0.016 0.000 0.818 321 D CB 0.125 40.916 40.800 -0.016 0.000 1.108 321 D HN 0.287 nan 8.370 nan 0.000 0.474 322 N N 1.581 120.254 118.700 -0.045 0.000 2.372 322 N HA 0.174 4.914 4.740 -0.000 0.000 0.291 322 N C -0.469 174.997 175.510 -0.073 0.000 1.024 322 N CA -0.472 52.537 53.050 -0.068 0.000 0.873 322 N CB 1.574 39.998 38.487 -0.106 0.000 1.206 322 N HN 0.118 nan 8.380 nan 0.000 0.486 323 E N 1.758 121.938 120.200 -0.033 0.000 2.290 323 E HA 0.185 4.535 4.350 -0.000 0.000 0.277 323 E C 0.136 176.643 176.600 -0.156 0.000 1.035 323 E CA -0.215 56.204 56.400 0.032 0.000 0.873 323 E CB 1.296 31.084 29.700 0.145 0.000 1.029 323 E HN 0.360 nan 8.360 nan 0.000 0.419 324 I N 4.476 124.854 120.570 -0.320 0.000 2.297 324 I HA 0.191 4.360 4.170 -0.000 0.000 0.291 324 I C 0.773 176.660 176.117 -0.382 0.000 1.033 324 I CA -0.247 60.803 61.300 -0.416 0.000 1.253 324 I CB -0.098 37.530 38.000 -0.620 0.000 1.396 324 I HN 0.358 nan 8.210 nan 0.000 0.476 325 R N 3.974 124.309 120.500 -0.275 0.000 2.854 325 R HA 0.870 5.210 4.340 -0.000 0.000 0.271 325 R C -0.202 175.964 176.300 -0.223 0.000 0.994 325 R CA -0.962 54.991 56.100 -0.244 0.000 0.945 325 R CB 2.057 32.250 30.300 -0.179 0.000 1.194 325 R HN 0.671 nan 8.270 nan 0.000 0.476 326 G N 0.508 109.195 108.800 -0.188 0.000 2.785 326 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.686 326 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.686 326 G C -0.377 174.517 174.900 -0.011 0.000 1.155 326 G CA -0.440 44.624 45.100 -0.060 0.000 0.760 326 G HN 0.547 nan 8.290 nan 0.000 0.624 327 F N 2.030 122.003 119.950 0.039 0.000 2.186 327 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 327 F C 0.600 176.495 175.800 0.159 0.000 1.090 327 F CA 2.193 60.257 58.000 0.107 0.000 1.307 327 F CB -0.804 38.259 39.000 0.105 0.000 1.019 327 F HN 0.420 nan 8.300 nan 0.000 0.489 328 P HA -0.212 nan 4.420 nan 0.000 0.213 328 P C 1.867 179.252 177.300 0.141 0.000 1.170 328 P CA 1.250 64.485 63.100 0.224 0.000 0.902 328 P CB -0.033 31.759 31.700 0.154 0.000 0.789 329 L N -0.686 120.582 121.223 0.075 0.000 2.093 329 L HA 0.012 4.352 4.340 -0.000 0.000 0.208 329 L C 2.210 179.115 176.870 0.057 0.000 1.085 329 L CA 1.756 56.610 54.840 0.023 0.000 0.755 329 L CB -1.642 40.376 42.059 -0.069 0.000 0.904 329 L HN -0.135 nan 8.230 nan 0.000 0.435 330 A N -1.580 121.280 122.820 0.067 0.000 1.933 330 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 330 A C 2.393 180.163 177.584 0.311 0.000 1.175 330 A CA 1.864 54.001 52.037 0.168 0.000 0.628 330 A CB -0.861 18.192 19.000 0.089 0.000 0.814 330 A HN 0.497 nan 8.150 nan 0.000 0.444 331 S N -0.083 115.788 115.700 0.285 0.000 2.353 331 S HA -0.152 4.318 4.470 -0.000 0.000 0.222 331 S C 1.796 176.579 174.600 0.306 0.000 1.035 331 S CA 1.710 60.119 58.200 0.349 0.000 1.025 331 S CB -0.478 62.895 63.200 0.287 0.000 0.902 331 S HN 0.518 nan 8.310 nan 0.000 0.440 332 L N -0.553 120.797 121.223 0.210 0.000 2.201 332 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 332 L C 2.205 179.160 176.870 0.143 0.000 1.105 332 L CA 1.121 56.058 54.840 0.161 0.000 0.775 332 L CB -0.407 41.719 42.059 0.112 0.000 0.913 332 L HN 0.357 nan 8.230 nan 0.000 0.440 333 Y N -1.195 119.085 120.300 -0.034 0.000 2.263 333 Y HA -0.258 4.291 4.550 -0.000 0.000 0.292 333 Y C 2.103 177.859 175.900 -0.241 0.000 1.130 333 Y CA 1.493 59.479 58.100 -0.190 0.000 1.179 333 Y CB 0.126 38.382 38.460 -0.341 0.000 0.998 333 Y HN 0.033 nan 8.280 nan 0.000 0.532 334 Y N -2.604 117.659 120.300 -0.062 0.000 2.479 334 Y HA 0.062 4.612 4.550 -0.000 0.000 0.283 334 Y C 0.974 176.524 175.900 -0.584 0.000 1.109 334 Y CA 0.882 58.747 58.100 -0.392 0.000 1.239 334 Y CB -0.011 38.063 38.460 -0.644 0.000 1.108 334 Y HN 0.050 nan 8.280 nan 0.000 0.548 335 F N -1.936 118.126 119.950 0.187 0.000 2.767 335 F HA 0.402 4.929 4.527 -0.000 0.000 0.323 335 F C 1.681 177.537 175.800 0.094 0.000 1.091 335 F CA 0.135 58.205 58.000 0.116 0.000 1.192 335 F CB 0.377 39.431 39.000 0.090 0.000 1.056 335 F HN -0.062 nan 8.300 nan 0.000 0.571 336 G N 1.823 110.758 108.800 0.226 0.000 2.225 336 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.267 336 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.267 336 G C 0.095 175.086 174.900 0.152 0.000 1.024 336 G CA -0.036 45.157 45.100 0.156 0.000 0.784 336 G HN 0.369 nan 8.290 nan 0.000 0.507 337 R N -0.465 120.149 120.500 0.188 0.000 2.599 337 R HA 0.489 4.829 4.340 -0.000 0.000 0.295 337 R C -2.967 173.407 176.300 0.123 0.000 0.963 337 R CA -2.337 53.837 56.100 0.124 0.000 0.883 337 R CB 1.648 32.008 30.300 0.102 0.000 1.171 337 R HN -0.006 nan 8.270 nan 0.000 0.450 338 P HA -0.135 nan 4.420 nan 0.000 0.265 338 P C 1.146 178.502 177.300 0.094 0.000 1.187 338 P CA 0.079 63.227 63.100 0.080 0.000 0.766 338 P CB 0.636 32.362 31.700 0.043 0.000 0.820 339 V N 3.555 123.542 119.914 0.121 0.000 2.453 339 V HA -0.273 3.847 4.120 -0.000 0.000 0.252 339 V C 1.817 177.978 176.094 0.111 0.000 1.068 339 V CA 2.240 64.640 62.300 0.167 0.000 1.070 339 V CB -0.923 31.044 31.823 0.239 0.000 0.664 339 V HN 0.652 nan 8.190 nan 0.000 0.461 340 E N -0.543 119.689 120.200 0.052 0.000 2.401 340 E HA -0.184 4.166 4.350 -0.000 0.000 0.199 340 E C 1.461 178.077 176.600 0.027 0.000 1.023 340 E CA 1.275 57.690 56.400 0.025 0.000 0.859 340 E CB 0.029 29.724 29.700 -0.008 0.000 0.780 340 E HN 0.844 nan 8.360 nan 0.000 0.523 341 E N -0.130 120.088 120.200 0.029 0.000 2.630 341 E HA 0.166 4.515 4.350 -0.000 0.000 0.218 341 E C -0.111 176.483 176.600 -0.009 0.000 0.977 341 E CA -0.301 56.104 56.400 0.008 0.000 1.038 341 E CB 0.680 30.378 29.700 -0.002 0.000 1.051 341 E HN 0.164 nan 8.360 nan 0.000 0.487 342 L N 2.773 123.996 121.223 -0.000 0.000 2.514 342 L HA 0.018 4.358 4.340 -0.000 0.000 0.280 342 L C 0.926 177.748 176.870 -0.081 0.000 1.223 342 L CA 0.054 54.859 54.840 -0.057 0.000 0.864 342 L CB 0.336 42.390 42.059 -0.008 0.000 1.118 342 L HN 0.156 nan 8.230 nan 0.000 0.494 343 S N 2.421 118.033 115.700 -0.147 0.000 2.624 343 S HA 0.128 4.598 4.470 -0.000 0.000 0.263 343 S C 0.767 175.301 174.600 -0.110 0.000 1.287 343 S CA -0.833 57.295 58.200 -0.120 0.000 0.990 343 S CB 1.298 64.413 63.200 -0.141 0.000 0.950 343 S HN 0.547 nan 8.310 nan 0.000 0.561 344 L N 1.287 122.464 121.223 -0.077 0.000 2.141 344 L HA -0.095 4.244 4.340 -0.000 0.000 0.209 344 L C 2.279 179.109 176.870 -0.066 0.000 1.094 344 L CA 2.027 56.833 54.840 -0.057 0.000 0.763 344 L CB -0.886 41.148 42.059 -0.042 0.000 0.908 344 L HN 0.929 nan 8.230 nan 0.000 0.437 345 D N -1.673 118.674 120.400 -0.088 0.000 2.144 345 D HA -0.282 4.358 4.640 -0.000 0.000 0.199 345 D C 1.732 177.965 176.300 -0.113 0.000 0.984 345 D CA 1.334 55.280 54.000 -0.089 0.000 0.834 345 D CB -0.358 40.387 40.800 -0.092 0.000 0.955 345 D HN 0.520 nan 8.370 nan 0.000 0.465 346 Q N 0.295 119.959 119.800 -0.227 0.000 2.172 346 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 346 Q C 2.340 178.300 176.000 -0.067 0.000 0.964 346 Q CA 0.950 56.542 55.803 -0.352 0.000 0.855 346 Q CB -0.043 28.154 28.738 -0.901 0.000 0.918 346 Q HN 0.422 nan 8.270 nan 0.000 0.444 347 Q N 0.115 119.894 119.800 -0.035 0.000 2.079 347 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 347 Q C 2.104 178.153 176.000 0.082 0.000 0.974 347 Q CA 1.267 57.107 55.803 0.062 0.000 0.840 347 Q CB -0.125 28.625 28.738 0.020 0.000 0.898 347 Q HN 0.387 nan 8.270 nan 0.000 0.430 348 A N 0.564 123.397 122.820 0.022 0.000 1.933 348 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 348 A C 1.966 179.557 177.584 0.011 0.000 1.175 348 A CA 1.025 53.069 52.037 0.012 0.000 0.628 348 A CB -0.541 18.446 19.000 -0.021 0.000 0.814 348 A HN 0.343 nan 8.150 nan 0.000 0.444 349 L N -0.648 120.584 121.223 0.016 0.000 1.961 349 L HA -0.102 4.238 4.340 -0.000 0.000 0.210 349 L C 2.245 179.106 176.870 -0.014 0.000 1.072 349 L CA 1.818 56.652 54.840 -0.009 0.000 0.749 349 L CB -0.852 41.242 42.059 0.058 0.000 0.889 349 L HN 0.278 nan 8.230 nan 0.000 0.432 350 L N -0.903 120.353 121.223 0.054 0.000 1.978 350 L HA -0.279 4.060 4.340 -0.000 0.000 0.218 350 L C 2.540 179.439 176.870 0.049 0.000 1.075 350 L CA 1.962 56.798 54.840 -0.006 0.000 0.767 350 L CB -1.257 40.869 42.059 0.112 0.000 0.890 350 L HN 0.141 nan 8.230 nan 0.000 0.434 351 V N -0.156 119.926 119.914 0.281 0.000 2.282 351 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 351 V C 2.536 178.715 176.094 0.142 0.000 1.057 351 V CA 2.102 64.592 62.300 0.317 0.000 1.032 351 V CB -1.464 30.497 31.823 0.230 0.000 0.645 351 V HN 0.653 nan 8.190 nan 0.000 0.447 352 G N -0.744 108.080 108.800 0.039 0.000 2.440 352 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.218 352 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.218 352 G C 1.505 176.397 174.900 -0.014 0.000 1.154 352 G CA 1.102 46.166 45.100 -0.061 0.000 0.767 352 G HN 0.483 nan 8.290 nan 0.000 0.552 353 M N 0.333 119.945 119.600 0.020 0.000 2.539 353 M HA 0.027 4.507 4.480 -0.000 0.000 0.261 353 M C 2.469 178.875 176.300 0.176 0.000 1.069 353 M CA 0.263 55.657 55.300 0.157 0.000 1.081 353 M CB -0.154 32.430 32.600 -0.027 0.000 1.412 353 M HN 0.149 nan 8.290 nan 0.000 0.482 354 V N 0.994 120.985 119.914 0.129 0.000 2.490 354 V HA -0.235 3.885 4.120 -0.000 0.000 0.250 354 V C 2.106 178.304 176.094 0.173 0.000 1.061 354 V CA 1.866 64.244 62.300 0.131 0.000 1.064 354 V CB -0.360 31.579 31.823 0.194 0.000 0.670 354 V HN 0.428 nan 8.190 nan 0.000 0.461 355 K N -0.125 120.416 120.400 0.235 0.000 2.504 355 K HA 0.123 4.443 4.320 -0.000 0.000 0.195 355 K C 0.711 177.393 176.600 0.136 0.000 1.036 355 K CA 0.767 57.187 56.287 0.221 0.000 0.984 355 K CB 0.094 32.771 32.500 0.294 0.000 0.788 355 K HN 0.597 nan 8.250 nan 0.000 0.488 356 G N -0.250 108.617 108.800 0.112 0.000 2.936 356 G HA2 0.186 4.146 3.960 -0.000 0.000 0.227 356 G HA3 0.186 4.146 3.960 -0.000 0.000 0.227 356 G C 0.183 175.048 174.900 -0.058 0.000 3.708 356 G CA -0.192 44.868 45.100 -0.066 0.000 0.519 356 G HN 0.050 nan 8.290 nan 0.000 0.369 357 A N 0.647 123.545 122.820 0.130 0.000 1.972 357 A HA 0.157 4.476 4.320 -0.000 0.000 0.219 357 A C 2.570 180.226 177.584 0.121 0.000 1.169 357 A CA 2.610 54.721 52.037 0.123 0.000 0.635 357 A CB -0.175 18.848 19.000 0.037 0.000 0.810 357 A HN 0.885 nan 8.150 nan 0.000 0.446 358 S N -0.266 115.527 115.700 0.155 0.000 2.383 358 S HA -0.112 4.358 4.470 -0.000 0.000 0.227 358 S C 1.689 176.303 174.600 0.024 0.000 1.026 358 S CA 1.531 59.806 58.200 0.124 0.000 0.981 358 S CB -0.419 62.853 63.200 0.120 0.000 0.818 358 S HN 0.738 nan 8.310 nan 0.000 0.472 359 I N -2.318 118.187 120.570 -0.109 0.000 3.226 359 I HA 0.156 4.325 4.170 -0.000 0.000 0.277 359 I C 0.952 177.001 176.117 -0.113 0.000 1.243 359 I CA 0.912 62.111 61.300 -0.167 0.000 1.459 359 I CB -0.600 37.225 38.000 -0.291 0.000 1.093 359 I HN 0.072 nan 8.210 nan 0.000 0.453 360 Y N 0.847 121.157 120.300 0.016 0.000 2.457 360 Y HA 0.299 4.849 4.550 -0.000 0.000 0.263 360 Y C 0.908 176.776 175.900 -0.053 0.000 1.164 360 Y CA -1.444 56.642 58.100 -0.023 0.000 1.274 360 Y CB -1.106 37.331 38.460 -0.039 0.000 1.097 360 Y HN 0.176 nan 8.280 nan 0.000 0.523 361 N N 3.078 121.847 118.700 0.115 0.000 2.332 361 N HA -0.084 4.655 4.740 -0.000 0.000 0.274 361 N C -1.974 173.564 175.510 0.046 0.000 1.351 361 N CA -0.426 52.686 53.050 0.104 0.000 0.875 361 N CB 1.138 39.730 38.487 0.176 0.000 1.140 361 N HN 0.086 nan 8.380 nan 0.000 0.489 362 P HA -0.048 nan 4.420 nan 0.000 0.218 362 P C 0.668 177.842 177.300 -0.211 0.000 1.149 362 P CA 1.237 64.189 63.100 -0.247 0.000 0.817 362 P CB 0.057 31.443 31.700 -0.523 0.000 0.785 363 W N -0.442 120.882 121.300 0.040 0.000 2.413 363 W HA -0.013 4.647 4.660 -0.000 0.000 0.315 363 W C 2.582 179.114 176.519 0.021 0.000 1.186 363 W CA 0.256 57.614 57.345 0.021 0.000 1.326 363 W CB -1.062 28.404 29.460 0.011 0.000 1.153 363 W HN -0.249 nan 8.180 nan 0.000 0.489 364 R N 1.097 121.754 120.500 0.261 0.000 2.147 364 R HA -0.135 4.205 4.340 -0.000 0.000 0.225 364 R C 0.312 176.674 176.300 0.102 0.000 1.120 364 R CA 1.695 57.888 56.100 0.153 0.000 0.891 364 R CB -1.304 29.072 30.300 0.128 0.000 0.822 364 R HN 0.153 nan 8.270 nan 0.000 0.433 365 N N -0.012 118.737 118.700 0.082 0.000 2.626 365 N HA 0.225 4.965 4.740 -0.000 0.000 0.242 365 N C -2.625 172.911 175.510 0.042 0.000 1.005 365 N CA -2.051 51.034 53.050 0.058 0.000 0.905 365 N CB 1.489 40.009 38.487 0.054 0.000 1.128 365 N HN -0.042 nan 8.380 nan 0.000 0.512 366 P HA 0.019 nan 4.420 nan 0.000 0.237 366 P C 0.708 178.003 177.300 -0.009 0.000 1.178 366 P CA 0.832 63.922 63.100 -0.017 0.000 0.766 366 P CB 0.516 32.201 31.700 -0.026 0.000 0.876 367 K N -0.355 120.053 120.400 0.013 0.000 2.063 367 K HA 0.141 4.461 4.320 -0.000 0.000 0.204 367 K C 1.619 178.232 176.600 0.022 0.000 1.039 367 K CA 0.744 57.038 56.287 0.013 0.000 0.957 367 K CB -0.466 32.046 32.500 0.019 0.000 0.764 367 K HN 0.094 nan 8.250 nan 0.000 0.447 368 L N 1.046 122.303 121.223 0.056 0.000 2.675 368 L HA -0.020 4.320 4.340 -0.000 0.000 0.238 368 L C 1.787 178.718 176.870 0.101 0.000 1.155 368 L CA 0.087 54.986 54.840 0.099 0.000 0.881 368 L CB -0.362 41.793 42.059 0.160 0.000 1.008 368 L HN 0.252 nan 8.230 nan 0.000 0.443 369 A N -0.333 122.507 122.820 0.033 0.000 1.963 369 A HA 0.027 4.347 4.320 -0.000 0.000 0.207 369 A C 2.017 179.546 177.584 -0.093 0.000 1.243 369 A CA 0.100 52.115 52.037 -0.036 0.000 0.728 369 A CB -0.105 18.875 19.000 -0.032 0.000 0.895 369 A HN 0.316 nan 8.150 nan 0.000 0.467 370 L N -0.430 120.756 121.223 -0.061 0.000 2.313 370 L HA 0.031 4.370 4.340 -0.000 0.000 0.214 370 L C 2.164 178.997 176.870 -0.061 0.000 1.119 370 L CA 1.333 56.137 54.840 -0.060 0.000 0.809 370 L CB 0.034 42.068 42.059 -0.042 0.000 0.933 370 L HN 0.599 nan 8.230 nan 0.000 0.449 371 E N -0.799 119.367 120.200 -0.056 0.000 2.371 371 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 371 E C 2.090 178.635 176.600 -0.092 0.000 1.012 371 E CA 0.086 56.455 56.400 -0.052 0.000 0.860 371 E CB 0.248 29.934 29.700 -0.022 0.000 0.811 371 E HN 0.216 nan 8.360 nan 0.000 0.502 372 R N 0.497 120.897 120.500 -0.166 0.000 2.206 372 R HA 0.086 4.425 4.340 -0.000 0.000 0.198 372 R C 2.157 178.316 176.300 -0.234 0.000 0.986 372 R CA 0.128 56.056 56.100 -0.288 0.000 1.029 372 R CB -0.069 29.818 30.300 -0.690 0.000 0.966 372 R HN 0.065 nan 8.270 nan 0.000 0.487 373 R N 1.180 121.573 120.500 -0.177 0.000 2.070 373 R HA -0.073 4.267 4.340 -0.000 0.000 0.233 373 R C 1.215 177.465 176.300 -0.084 0.000 1.137 373 R CA 1.627 57.656 56.100 -0.118 0.000 0.945 373 R CB -0.298 29.949 30.300 -0.088 0.000 0.845 373 R HN 0.174 nan 8.270 nan 0.000 0.430 374 N N 1.094 119.750 118.700 -0.074 0.000 2.166 374 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 374 N C 1.901 177.380 175.510 -0.051 0.000 1.019 374 N CA 0.742 53.760 53.050 -0.054 0.000 0.856 374 N CB -0.417 38.044 38.487 -0.043 0.000 0.993 374 N HN 0.172 nan 8.380 nan 0.000 0.426 375 L N 0.319 121.503 121.223 -0.064 0.000 1.978 375 L HA -0.258 4.082 4.340 -0.000 0.000 0.218 375 L C 2.008 178.849 176.870 -0.047 0.000 1.075 375 L CA 1.351 56.158 54.840 -0.055 0.000 0.767 375 L CB -0.536 41.478 42.059 -0.074 0.000 0.890 375 L HN 0.040 nan 8.230 nan 0.000 0.434 376 V N 0.035 119.914 119.914 -0.059 0.000 2.287 376 V HA -0.338 3.782 4.120 -0.000 0.000 0.248 376 V C 2.392 178.468 176.094 -0.031 0.000 1.053 376 V CA 2.017 64.293 62.300 -0.040 0.000 1.027 376 V CB -0.491 31.308 31.823 -0.040 0.000 0.646 376 V HN 0.371 nan 8.190 nan 0.000 0.447 377 L N -0.291 120.911 121.223 -0.035 0.000 2.043 377 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 377 L C 2.238 179.093 176.870 -0.024 0.000 1.075 377 L CA 1.622 56.444 54.840 -0.029 0.000 0.752 377 L CB -0.625 41.415 42.059 -0.032 0.000 0.891 377 L HN 0.250 nan 8.230 nan 0.000 0.432 378 R N 0.181 120.666 120.500 -0.025 0.000 2.526 378 R HA 0.163 4.502 4.340 -0.000 0.000 0.223 378 R C -0.217 176.074 176.300 -0.016 0.000 1.250 378 R CA 0.131 56.219 56.100 -0.020 0.000 1.227 378 R CB -0.469 29.820 30.300 -0.020 0.000 1.109 378 R HN 0.334 nan 8.270 nan 0.000 0.499 408 I N 2.772 123.345 120.570 0.005 0.000 2.716 408 I HA 0.326 4.495 4.170 -0.000 0.000 0.259 408 I C 0.949 177.066 176.117 -0.000 0.000 1.172 408 I CA 1.623 62.931 61.300 0.014 0.000 1.478 408 I CB 0.698 38.693 38.000 -0.007 0.000 1.104 408 I HN 0.562 nan 8.210 nan 0.000 0.439 409 S N 1.565 117.267 115.700 0.004 0.000 2.571 409 S HA 0.554 5.023 4.470 -0.000 0.000 0.238 409 S C -2.731 171.860 174.600 -0.015 0.000 1.153 409 S CA -1.095 57.100 58.200 -0.009 0.000 1.141 409 S CB 0.429 63.628 63.200 -0.002 0.000 1.133 409 S HN -0.013 nan 8.310 nan 0.000 0.464 410 P HA 0.344 nan 4.420 nan 0.000 0.279 410 P C -0.741 176.514 177.300 -0.075 0.000 1.239 410 P CA 0.131 63.195 63.100 -0.059 0.000 0.789 410 P CB 0.487 32.139 31.700 -0.079 0.000 0.933 411 Q N 0.982 120.744 119.800 -0.063 0.000 2.452 411 Q HA -0.149 4.190 4.340 -0.000 0.000 0.318 411 Q C -1.544 174.462 176.000 0.010 0.000 1.386 411 Q CA 0.517 56.295 55.803 -0.040 0.000 0.872 411 Q CB -2.363 26.254 28.738 -0.201 0.000 1.151 411 Q HN 0.477 nan 8.270 nan 0.000 0.417 412 P HA -0.184 nan 4.420 nan 0.000 0.216 412 P C 1.255 178.566 177.300 0.018 0.000 1.153 412 P CA 2.258 65.363 63.100 0.008 0.000 0.858 412 P CB 0.040 31.748 31.700 0.015 0.000 0.789 413 A N -1.177 121.670 122.820 0.044 0.000 1.873 413 A HA -0.171 4.148 4.320 -0.000 0.000 0.215 413 A C 2.172 179.800 177.584 0.073 0.000 1.186 413 A CA 1.359 53.421 52.037 0.042 0.000 0.616 413 A CB -1.795 17.237 19.000 0.054 0.000 0.823 413 A HN 0.168 nan 8.150 nan 0.000 0.442 414 F N -0.223 119.724 119.950 -0.004 0.000 2.186 414 F HA -0.147 4.380 4.527 -0.000 0.000 0.299 414 F C 2.206 177.983 175.800 -0.039 0.000 1.090 414 F CA 1.620 59.627 58.000 0.012 0.000 1.307 414 F CB -0.062 38.980 39.000 0.069 0.000 1.019 414 F HN 0.073 nan 8.300 nan 0.000 0.489 415 M N 0.179 119.794 119.600 0.026 0.000 2.279 415 M HA -0.219 4.260 4.480 -0.000 0.000 0.264 415 M C 2.032 178.254 176.300 -0.130 0.000 1.062 415 M CA 1.408 56.664 55.300 -0.073 0.000 1.099 415 M CB -1.300 31.276 32.600 -0.039 0.000 1.394 415 M HN 0.345 nan 8.290 nan 0.000 0.426 416 Q N -0.457 119.276 119.800 -0.111 0.000 2.084 416 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 416 Q C 2.095 178.000 176.000 -0.160 0.000 0.978 416 Q CA 1.212 56.948 55.803 -0.112 0.000 0.844 416 Q CB -0.353 28.333 28.738 -0.086 0.000 0.898 416 Q HN 0.343 nan 8.270 nan 0.000 0.426 417 L N 0.301 121.381 121.223 -0.238 0.000 2.017 417 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 417 L C 2.166 178.857 176.870 -0.299 0.000 1.073 417 L CA 1.444 56.114 54.840 -0.283 0.000 0.745 417 L CB -0.657 41.157 42.059 -0.408 0.000 0.894 417 L HN -0.029 nan 8.230 nan 0.000 0.432 418 V N 0.138 119.820 119.914 -0.387 0.000 2.252 418 V HA -0.346 3.774 4.120 -0.000 0.000 0.249 418 V C 2.742 178.737 176.094 -0.164 0.000 1.056 418 V CA 2.305 64.445 62.300 -0.266 0.000 1.022 418 V CB -0.755 30.940 31.823 -0.214 0.000 0.641 418 V HN 0.460 nan 8.190 nan 0.000 0.445 419 R N -0.430 119.987 120.500 -0.138 0.000 2.083 419 R HA -0.249 4.091 4.340 -0.000 0.000 0.237 419 R C 2.481 178.723 176.300 -0.097 0.000 1.137 419 R CA 2.037 58.077 56.100 -0.100 0.000 0.951 419 R CB -0.426 29.825 30.300 -0.082 0.000 0.851 419 R HN 0.651 nan 8.270 nan 0.000 0.434 420 Q N 0.933 120.669 119.800 -0.106 0.000 2.050 420 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 420 Q C 1.882 177.821 176.000 -0.101 0.000 0.980 420 Q CA 1.718 57.464 55.803 -0.094 0.000 0.840 420 Q CB 0.028 28.709 28.738 -0.095 0.000 0.898 420 Q HN 0.351 nan 8.270 nan 0.000 0.424 421 E N -0.077 120.048 120.200 -0.125 0.000 2.153 421 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 421 E C 2.071 178.578 176.600 -0.156 0.000 0.988 421 E CA 0.825 57.143 56.400 -0.137 0.000 0.811 421 E CB -0.008 29.602 29.700 -0.150 0.000 0.746 421 E HN 0.413 nan 8.360 nan 0.000 0.466 422 L N 0.265 121.405 121.223 -0.138 0.000 2.027 422 L HA -0.217 4.122 4.340 -0.000 0.000 0.206 422 L C 2.698 179.508 176.870 -0.099 0.000 1.074 422 L CA 1.162 55.925 54.840 -0.129 0.000 0.745 422 L CB -0.339 41.664 42.059 -0.092 0.000 0.898 422 L HN 0.185 nan 8.230 nan 0.000 0.433 423 Q N 0.129 119.882 119.800 -0.078 0.000 2.030 423 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 423 Q C 2.220 178.187 176.000 -0.055 0.000 0.986 423 Q CA 2.302 58.072 55.803 -0.056 0.000 0.843 423 Q CB -0.336 28.373 28.738 -0.049 0.000 0.904 423 Q HN 0.453 nan 8.270 nan 0.000 0.420 424 A N 0.220 123.001 122.820 -0.066 0.000 1.908 424 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 424 A C 1.925 179.476 177.584 -0.055 0.000 1.181 424 A CA 1.875 53.880 52.037 -0.054 0.000 0.627 424 A CB -0.446 18.519 19.000 -0.058 0.000 0.818 424 A HN 0.201 nan 8.150 nan 0.000 0.445 425 K N -0.569 119.767 120.400 -0.107 0.000 2.044 425 K HA 0.174 4.493 4.320 -0.000 0.000 0.204 425 K C 1.769 178.343 176.600 -0.042 0.000 1.045 425 K CA 1.158 57.372 56.287 -0.122 0.000 0.951 425 K CB -0.622 31.634 32.500 -0.407 0.000 0.738 425 K HN 0.515 nan 8.250 nan 0.000 0.443 426 L N -0.584 120.606 121.223 -0.055 0.000 2.515 426 L HA 0.197 4.537 4.340 -0.000 0.000 0.223 426 L C 1.083 177.953 176.870 0.001 0.000 1.079 426 L CA 0.266 55.105 54.840 -0.001 0.000 0.857 426 L CB -0.035 42.024 42.059 -0.001 0.000 1.050 426 L HN 0.353 nan 8.230 nan 0.000 0.476 427 G N 1.100 109.890 108.800 -0.016 0.000 2.593 427 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.237 427 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.237 427 G C -0.217 174.676 174.900 -0.012 0.000 1.312 427 G CA 0.246 45.339 45.100 -0.011 0.000 0.896 427 G HN 0.301 nan 8.290 nan 0.000 0.574 428 D N 0.302 120.698 120.400 -0.007 0.000 2.347 428 D HA 0.182 4.822 4.640 -0.000 0.000 0.213 428 D C 1.509 177.809 176.300 -0.000 0.000 0.985 428 D CA 0.924 54.920 54.000 -0.007 0.000 0.879 428 D CB 0.177 40.974 40.800 -0.006 0.000 0.919 428 D HN 0.343 nan 8.370 nan 0.000 0.526 429 K N 1.133 121.536 120.400 0.005 0.000 2.737 429 K HA 0.143 4.463 4.320 -0.000 0.000 0.251 429 K C 0.095 176.704 176.600 0.015 0.000 1.280 429 K CA -0.117 56.177 56.287 0.011 0.000 1.219 429 K CB -0.207 32.303 32.500 0.016 0.000 1.587 429 K HN 0.065 nan 8.250 nan 0.000 0.279 430 V N 0.261 120.181 119.914 0.010 0.000 3.658 430 V HA 0.262 4.382 4.120 -0.000 0.000 0.197 430 V C 0.454 176.555 176.094 0.012 0.000 1.295 430 V CA -0.066 62.242 62.300 0.014 0.000 1.298 430 V CB 0.373 32.200 31.823 0.006 0.000 1.347 430 V HN 0.260 nan 8.190 nan 0.000 0.548 431 K N 1.560 121.962 120.400 0.003 0.000 2.589 431 K HA 0.100 4.420 4.320 -0.000 0.000 0.204 431 K C 1.156 177.759 176.600 0.005 0.000 1.029 431 K CA 0.856 57.145 56.287 0.002 0.000 1.177 431 K CB -0.808 31.688 32.500 -0.007 0.000 0.902 431 K HN 0.639 nan 8.250 nan 0.000 0.501 432 D N -0.398 120.007 120.400 0.008 0.000 2.219 432 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 432 D C 0.167 176.475 176.300 0.013 0.000 0.970 432 D CA 0.649 54.655 54.000 0.010 0.000 0.851 432 D CB 0.252 41.058 40.800 0.010 0.000 0.943 432 D HN 0.211 nan 8.370 nan 0.000 0.488 433 L N 0.003 121.235 121.223 0.016 0.000 2.421 433 L HA 0.295 4.635 4.340 -0.000 0.000 0.263 433 L C 0.640 177.522 176.870 0.022 0.000 1.122 433 L CA -0.519 54.333 54.840 0.021 0.000 0.804 433 L CB 1.383 43.459 42.059 0.028 0.000 1.150 433 L HN -0.193 nan 8.230 nan 0.000 0.457 434 S N -0.200 115.514 115.700 0.024 0.000 2.549 434 S HA 0.601 5.071 4.470 -0.000 0.000 0.297 434 S C 0.475 175.097 174.600 0.037 0.000 1.115 434 S CA 0.156 58.374 58.200 0.030 0.000 1.059 434 S CB 1.385 64.600 63.200 0.026 0.000 1.046 434 S HN 0.982 nan 8.310 nan 0.000 0.506 435 G N 2.073 110.902 108.800 0.047 0.000 2.338 435 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.296 435 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.296 435 G C -0.080 174.858 174.900 0.064 0.000 1.040 435 G CA 0.304 45.444 45.100 0.065 0.000 1.004 435 G HN 0.806 nan 8.290 nan 0.000 0.509 436 V N -0.301 119.642 119.914 0.048 0.000 2.607 436 V HA 0.452 4.572 4.120 -0.000 0.000 0.289 436 V C 0.629 176.748 176.094 0.042 0.000 1.053 436 V CA -0.089 62.243 62.300 0.054 0.000 0.996 436 V CB 1.619 33.468 31.823 0.042 0.000 0.995 436 V HN 0.428 nan 8.190 nan 0.000 0.476 437 K N 5.071 125.508 120.400 0.061 0.000 2.307 437 K HA 0.629 4.949 4.320 -0.000 0.000 0.263 437 K C -1.083 175.454 176.600 -0.104 0.000 0.973 437 K CA -0.251 56.018 56.287 -0.030 0.000 0.846 437 K CB 1.741 34.242 32.500 0.002 0.000 1.100 437 K HN 0.491 nan 8.250 nan 0.000 0.438 438 I N 4.045 124.509 120.570 -0.176 0.000 2.330 438 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 438 I C -0.868 175.162 176.117 -0.144 0.000 1.001 438 I CA -0.639 60.622 61.300 -0.066 0.000 1.193 438 I CB 0.494 38.481 38.000 -0.022 0.000 1.345 438 I HN 0.409 nan 8.210 nan 0.000 0.461 439 F N 4.781 124.884 119.950 0.255 0.000 2.361 439 F HA 0.374 4.901 4.527 -0.000 0.000 0.364 439 F C 1.041 176.986 175.800 0.241 0.000 1.120 439 F CA -0.607 57.553 58.000 0.266 0.000 1.102 439 F CB 1.275 40.411 39.000 0.227 0.000 1.183 439 F HN 0.411 nan 8.300 nan 0.000 0.476 440 T N -2.325 112.454 114.554 0.374 0.000 2.892 440 T HA 0.361 4.711 4.350 -0.000 0.000 0.280 440 T C 0.982 175.902 174.700 0.367 0.000 1.004 440 T CA 0.002 62.325 62.100 0.371 0.000 0.950 440 T CB 1.392 70.531 68.868 0.452 0.000 1.309 440 T HN 0.525 nan 8.240 nan 0.000 0.592 441 T N -1.957 112.844 114.554 0.413 0.000 3.054 441 T HA 0.261 4.610 4.350 -0.000 0.000 0.255 441 T C 0.251 175.084 174.700 0.222 0.000 1.035 441 T CA -0.584 61.694 62.100 0.297 0.000 0.941 441 T CB -0.665 68.380 68.868 0.294 0.000 1.026 441 T HN 0.502 nan 8.240 nan 0.000 0.533 442 F N 3.807 123.756 119.950 -0.003 0.000 2.602 442 F HA 0.257 4.784 4.527 -0.000 0.000 0.385 442 F C 0.214 175.902 175.800 -0.187 0.000 1.063 442 F CA -0.736 57.017 58.000 -0.411 0.000 1.233 442 F CB 0.327 38.910 39.000 -0.695 0.000 1.067 442 F HN 0.044 nan 8.300 nan 0.000 0.564 443 D N 4.743 124.688 120.400 -0.758 0.000 2.373 443 D HA 0.126 4.766 4.640 -0.000 0.000 0.227 443 D C 0.593 176.372 176.300 -0.869 0.000 1.091 443 D CA -0.052 53.613 54.000 -0.559 0.000 0.840 443 D CB 1.740 42.363 40.800 -0.295 0.000 1.060 443 D HN 0.655 nan 8.370 nan 0.000 0.502 444 S N 2.119 117.479 115.700 -0.567 0.000 2.383 444 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 444 S C 2.042 176.518 174.600 -0.207 0.000 1.030 444 S CA 0.723 58.726 58.200 -0.328 0.000 1.002 444 S CB 0.207 63.403 63.200 -0.008 0.000 0.829 444 S HN 0.507 nan 8.310 nan 0.000 0.467 445 V N 1.666 121.482 119.914 -0.164 0.000 2.358 445 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 445 V C 2.585 178.609 176.094 -0.118 0.000 1.047 445 V CA 1.621 63.853 62.300 -0.112 0.000 1.035 445 V CB -1.155 30.610 31.823 -0.097 0.000 0.658 445 V HN 0.526 nan 8.190 nan 0.000 0.452 446 A N -0.416 122.322 122.820 -0.138 0.000 1.898 446 A HA -0.270 4.049 4.320 -0.000 0.000 0.216 446 A C 2.187 179.771 177.584 -0.001 0.000 1.181 446 A CA 2.057 54.078 52.037 -0.027 0.000 0.620 446 A CB -0.512 18.485 19.000 -0.005 0.000 0.819 446 A HN 0.526 nan 8.150 nan 0.000 0.442 447 Q N 0.321 120.010 119.800 -0.183 0.000 2.050 447 Q HA -0.192 4.148 4.340 -0.000 0.000 0.202 447 Q C 1.425 177.424 176.000 -0.002 0.000 0.980 447 Q CA 2.187 57.926 55.803 -0.106 0.000 0.840 447 Q CB -0.373 28.255 28.738 -0.184 0.000 0.898 447 Q HN 0.595 nan 8.270 nan 0.000 0.424 448 D N -0.281 120.104 120.400 -0.024 0.000 2.116 448 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 448 D C 1.612 177.918 176.300 0.009 0.000 0.998 448 D CA 1.735 55.735 54.000 -0.001 0.000 0.836 448 D CB -0.466 40.326 40.800 -0.014 0.000 0.951 448 D HN 0.432 nan 8.370 nan 0.000 0.449 449 A N 0.614 123.436 122.820 0.002 0.000 1.930 449 A HA 0.052 4.372 4.320 -0.000 0.000 0.217 449 A C 2.267 179.954 177.584 0.172 0.000 1.175 449 A CA 2.001 54.035 52.037 -0.006 0.000 0.627 449 A CB -0.561 18.309 19.000 -0.217 0.000 0.815 449 A HN 0.238 nan 8.150 nan 0.000 0.443 450 A N -0.159 122.832 122.820 0.284 0.000 1.897 450 A HA -0.113 4.206 4.320 -0.000 0.000 0.215 450 A C 1.906 179.558 177.584 0.112 0.000 1.181 450 A CA 1.476 53.660 52.037 0.246 0.000 0.620 450 A CB -0.484 18.577 19.000 0.102 0.000 0.821 450 A HN 0.598 nan 8.150 nan 0.000 0.443 451 E N -0.368 119.875 120.200 0.071 0.000 2.085 451 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 451 E C 2.078 178.690 176.600 0.019 0.000 0.994 451 E CA 1.487 57.905 56.400 0.029 0.000 0.801 451 E CB -0.139 29.567 29.700 0.010 0.000 0.743 451 E HN 0.676 nan 8.360 nan 0.000 0.453 452 K N 0.742 121.157 120.400 0.025 0.000 2.097 452 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 452 K C 2.077 178.690 176.600 0.022 0.000 1.050 452 K CA 1.094 57.389 56.287 0.012 0.000 0.938 452 K CB -0.046 32.455 32.500 0.002 0.000 0.718 452 K HN 0.071 nan 8.250 nan 0.000 0.442 453 A N 1.100 123.951 122.820 0.052 0.000 1.898 453 A HA -0.040 4.280 4.320 -0.000 0.000 0.216 453 A C 2.349 179.955 177.584 0.036 0.000 1.181 453 A CA 1.647 53.718 52.037 0.058 0.000 0.620 453 A CB -0.822 18.252 19.000 0.123 0.000 0.819 453 A HN 0.471 nan 8.150 nan 0.000 0.442 454 A N -0.399 122.442 122.820 0.035 0.000 1.865 454 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 454 A C 2.235 179.819 177.584 0.001 0.000 1.191 454 A CA 2.008 54.054 52.037 0.015 0.000 0.623 454 A CB -1.048 17.962 19.000 0.017 0.000 0.826 454 A HN 0.441 nan 8.150 nan 0.000 0.444 455 V N -0.039 119.873 119.914 -0.003 0.000 2.358 455 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 455 V C 2.338 178.428 176.094 -0.006 0.000 1.047 455 V CA 2.327 64.620 62.300 -0.012 0.000 1.035 455 V CB -0.854 30.954 31.823 -0.024 0.000 0.658 455 V HN 0.658 nan 8.190 nan 0.000 0.452 456 E N 0.273 120.471 120.200 -0.003 0.000 2.140 456 E HA 0.037 4.386 4.350 -0.000 0.000 0.191 456 E C 2.350 178.946 176.600 -0.007 0.000 0.973 456 E CA 0.793 57.191 56.400 -0.004 0.000 0.829 456 E CB -0.417 29.281 29.700 -0.003 0.000 0.781 456 E HN 0.582 nan 8.360 nan 0.000 0.466 457 G N 1.941 110.738 108.800 -0.005 0.000 2.418 457 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 457 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 457 G C 1.552 176.437 174.900 -0.024 0.000 1.158 457 G CA 0.478 45.571 45.100 -0.012 0.000 0.771 457 G HN 0.055 nan 8.290 nan 0.000 0.545 458 I N 1.801 122.356 120.570 -0.026 0.000 2.202 458 I HA -0.037 4.132 4.170 -0.000 0.000 0.242 458 I C -0.127 175.971 176.117 -0.033 0.000 1.091 458 I CA 0.857 62.133 61.300 -0.039 0.000 1.368 458 I CB -1.753 36.225 38.000 -0.036 0.000 1.058 458 I HN 0.093 nan 8.210 nan 0.000 0.410 459 P HA -0.090 nan 4.420 nan 0.000 0.218 459 P C 1.615 178.904 177.300 -0.018 0.000 1.148 459 P CA 1.667 64.758 63.100 -0.015 0.000 0.822 459 P CB 0.021 31.716 31.700 -0.007 0.000 0.784 460 A N -0.574 122.235 122.820 -0.019 0.000 1.898 460 A HA -0.125 4.194 4.320 -0.000 0.000 0.216 460 A C 2.177 179.745 177.584 -0.026 0.000 1.181 460 A CA 1.239 53.264 52.037 -0.020 0.000 0.620 460 A CB -1.558 17.431 19.000 -0.018 0.000 0.819 460 A HN 0.116 nan 8.150 nan 0.000 0.442 461 L N -1.042 120.160 121.223 -0.035 0.000 2.141 461 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 461 L C 2.510 179.353 176.870 -0.045 0.000 1.094 461 L CA 1.548 56.361 54.840 -0.045 0.000 0.763 461 L CB -0.359 41.661 42.059 -0.065 0.000 0.908 461 L HN 0.330 nan 8.230 nan 0.000 0.437 462 K N -0.473 119.903 120.400 -0.040 0.000 2.103 462 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 462 K C 2.220 178.804 176.600 -0.026 0.000 1.052 462 K CA 0.692 56.958 56.287 -0.036 0.000 0.945 462 K CB 0.091 32.572 32.500 -0.031 0.000 0.722 462 K HN 0.007 nan 8.250 nan 0.000 0.443 463 K N 0.945 121.332 120.400 -0.021 0.000 2.057 463 K HA -0.162 4.157 4.320 -0.000 0.000 0.206 463 K C 2.051 178.642 176.600 -0.015 0.000 1.050 463 K CA 1.360 57.638 56.287 -0.016 0.000 0.935 463 K CB -0.016 32.476 32.500 -0.013 0.000 0.715 463 K HN 0.221 nan 8.250 nan 0.000 0.439 464 Q N 0.671 120.460 119.800 -0.018 0.000 2.369 464 Q HA -0.080 4.260 4.340 -0.000 0.000 0.206 464 Q C 0.632 176.625 176.000 -0.013 0.000 0.963 464 Q CA 0.905 56.700 55.803 -0.014 0.000 0.894 464 Q CB 0.309 29.038 28.738 -0.016 0.000 0.965 464 Q HN 0.207 nan 8.270 nan 0.000 0.475 465 R N -1.233 119.255 120.500 -0.020 0.000 2.569 465 R HA 0.192 4.532 4.340 -0.000 0.000 0.422 465 R C -0.324 175.961 176.300 -0.025 0.000 0.980 465 R CA -0.307 55.781 56.100 -0.021 0.000 1.164 465 R CB 0.690 30.973 30.300 -0.029 0.000 1.520 465 R HN -0.080 nan 8.270 nan 0.000 0.567 466 K N 1.065 121.452 120.400 -0.022 0.000 3.339 466 K HA -0.127 4.193 4.320 -0.000 0.000 0.299 466 K C 0.008 176.594 176.600 -0.024 0.000 1.270 466 K CA 0.623 56.898 56.287 -0.019 0.000 0.875 466 K CB -2.261 30.230 32.500 -0.014 0.000 1.298 466 K HN 0.373 nan 8.250 nan 0.000 0.485 467 L N 0.870 122.074 121.223 -0.033 0.000 2.439 467 L HA 0.127 4.467 4.340 -0.000 0.000 0.269 467 L C 2.061 178.914 176.870 -0.028 0.000 1.179 467 L CA 0.370 55.188 54.840 -0.037 0.000 0.828 467 L CB 0.722 42.749 42.059 -0.053 0.000 1.106 467 L HN 0.216 nan 8.230 nan 0.000 0.467 468 S N -0.204 115.481 115.700 -0.025 0.000 2.439 468 S HA 0.019 4.489 4.470 -0.000 0.000 0.224 468 S C 0.103 174.694 174.600 -0.015 0.000 1.029 468 S CA 0.263 58.453 58.200 -0.017 0.000 0.946 468 S CB -0.262 62.930 63.200 -0.014 0.000 0.797 468 S HN 0.873 nan 8.310 nan 0.000 0.504 469 D N -0.866 119.522 120.400 -0.020 0.000 2.602 469 D HA 0.703 5.343 4.640 -0.000 0.000 0.236 469 D C -1.319 174.961 176.300 -0.033 0.000 1.209 469 D CA -0.798 53.193 54.000 -0.016 0.000 0.831 469 D CB 1.359 42.157 40.800 -0.003 0.000 1.478 469 D HN 0.167 nan 8.370 nan 0.000 0.438 470 L N -0.117 121.087 121.223 -0.032 0.000 2.781 470 L HA 0.479 4.819 4.340 -0.000 0.000 0.256 470 L C -1.828 175.008 176.870 -0.057 0.000 0.930 470 L CA -0.193 54.603 54.840 -0.074 0.000 0.967 470 L CB 1.882 43.882 42.059 -0.099 0.000 1.551 470 L HN 0.618 nan 8.230 nan 0.000 0.445 471 E N 1.227 121.370 120.200 -0.094 0.000 2.423 471 E HA 0.829 5.179 4.350 -0.000 0.000 0.269 471 E C -1.328 175.185 176.600 -0.146 0.000 0.948 471 E CA -0.545 55.852 56.400 -0.005 0.000 0.802 471 E CB 2.400 32.222 29.700 0.204 0.000 1.339 471 E HN 0.588 nan 8.360 nan 0.000 0.445 472 T N -0.906 113.701 114.554 0.088 0.000 2.830 472 T HA 0.710 5.060 4.350 -0.000 0.000 0.322 472 T C -1.952 172.909 174.700 0.268 0.000 1.501 472 T CA -0.227 61.919 62.100 0.078 0.000 1.036 472 T CB 1.280 70.124 68.868 -0.039 0.000 1.379 472 T HN 0.527 nan 8.240 nan 0.000 0.493 473 A N 2.675 125.666 122.820 0.286 0.000 2.549 473 A HA 0.892 5.212 4.320 -0.000 0.000 0.297 473 A C -1.644 176.005 177.584 0.109 0.000 1.061 473 A CA -0.610 51.524 52.037 0.162 0.000 0.690 473 A CB 1.213 20.273 19.000 0.100 0.000 1.287 473 A HN 0.792 nan 8.150 nan 0.000 0.402 474 I N 1.381 121.985 120.570 0.057 0.000 2.607 474 I HA 0.519 4.689 4.170 -0.000 0.000 0.290 474 I C -1.178 174.945 176.117 0.010 0.000 1.129 474 I CA -0.937 60.374 61.300 0.018 0.000 1.042 474 I CB 2.381 40.361 38.000 -0.033 0.000 1.242 474 I HN 0.353 nan 8.210 nan 0.000 0.421 475 V N 6.246 126.161 119.914 0.003 0.000 2.638 475 V HA 0.503 4.623 4.120 -0.000 0.000 0.306 475 V C -0.449 175.630 176.094 -0.025 0.000 1.052 475 V CA -0.714 61.596 62.300 0.017 0.000 0.885 475 V CB 2.369 34.223 31.823 0.050 0.000 0.999 475 V HN 0.407 nan 8.190 nan 0.000 0.424 476 V N 5.262 125.166 119.914 -0.015 0.000 2.448 476 V HA 0.750 4.870 4.120 -0.000 0.000 0.295 476 V C -0.293 175.823 176.094 0.036 0.000 1.025 476 V CA -0.569 61.719 62.300 -0.020 0.000 0.859 476 V CB 1.921 33.725 31.823 -0.031 0.000 0.988 476 V HN 0.811 nan 8.190 nan 0.000 0.431 477 V N 0.968 120.903 119.914 0.035 0.000 2.962 477 V HA 0.627 4.747 4.120 -0.000 0.000 0.313 477 V C -0.418 175.696 176.094 0.035 0.000 1.099 477 V CA -0.778 61.552 62.300 0.049 0.000 0.971 477 V CB 2.100 33.952 31.823 0.048 0.000 1.028 477 V HN 0.842 nan 8.190 nan 0.000 0.430 478 D N 2.597 123.025 120.400 0.047 0.000 2.458 478 D HA 0.057 4.696 4.640 -0.000 0.000 0.243 478 D C 1.109 177.402 176.300 -0.013 0.000 1.146 478 D CA 0.234 54.259 54.000 0.041 0.000 0.877 478 D CB 1.353 42.200 40.800 0.078 0.000 1.176 478 D HN 0.817 nan 8.370 nan 0.000 0.461 479 R N 3.014 123.454 120.500 -0.099 0.000 2.091 479 R HA -0.178 4.162 4.340 -0.000 0.000 0.238 479 R C 1.329 177.391 176.300 -0.398 0.000 1.136 479 R CA 1.640 57.538 56.100 -0.337 0.000 0.959 479 R CB -0.031 29.912 30.300 -0.595 0.000 0.856 479 R HN 0.514 nan 8.270 nan 0.000 0.437 480 F N -1.216 118.753 119.950 0.032 0.000 2.500 480 F HA 0.091 4.618 4.527 -0.000 0.000 0.285 480 F C 2.477 178.287 175.800 0.016 0.000 1.088 480 F CA 0.538 58.551 58.000 0.022 0.000 1.432 480 F CB 0.261 39.273 39.000 0.019 0.000 1.131 480 F HN 0.105 nan 8.300 nan 0.000 0.582 481 S N -0.762 115.049 115.700 0.185 0.000 2.517 481 S HA 0.328 4.798 4.470 -0.000 0.000 0.214 481 S C 1.753 176.396 174.600 0.070 0.000 0.991 481 S CA 0.516 58.784 58.200 0.114 0.000 0.906 481 S CB 0.251 63.515 63.200 0.106 0.000 0.789 481 S HN 0.517 nan 8.310 nan 0.000 0.513 482 G N 1.061 109.898 108.800 0.061 0.000 2.162 482 G HA2 -0.264 3.695 3.960 -0.000 0.000 0.260 482 G HA3 -0.264 3.695 3.960 -0.000 0.000 0.260 482 G C -0.277 174.660 174.900 0.062 0.000 0.976 482 G CA 0.296 45.424 45.100 0.046 0.000 0.655 482 G HN 0.639 nan 8.290 nan 0.000 0.533 483 E N 0.014 120.262 120.200 0.079 0.000 2.344 483 E HA 0.383 4.733 4.350 -0.000 0.000 0.270 483 E C 0.438 177.113 176.600 0.124 0.000 1.021 483 E CA -0.450 56.015 56.400 0.107 0.000 0.887 483 E CB 1.521 31.290 29.700 0.114 0.000 0.997 483 E HN 0.122 nan 8.360 nan 0.000 0.429 484 V N 5.639 125.658 119.914 0.175 0.000 2.427 484 V HA 0.033 4.152 4.120 -0.000 0.000 0.268 484 V C 1.302 177.560 176.094 0.274 0.000 1.046 484 V CA -0.097 62.338 62.300 0.224 0.000 0.970 484 V CB 0.616 32.604 31.823 0.275 0.000 1.001 484 V HN 0.666 nan 8.190 nan 0.000 0.476 485 R N 3.457 124.037 120.500 0.132 0.000 2.156 485 R HA 0.464 4.804 4.340 -0.000 0.000 0.207 485 R C 0.501 176.715 176.300 -0.144 0.000 1.040 485 R CA 0.872 56.965 56.100 -0.011 0.000 1.013 485 R CB 0.356 30.643 30.300 -0.021 0.000 0.931 485 R HN 0.692 nan 8.270 nan 0.000 0.465 486 A N 0.901 123.726 122.820 0.008 0.000 2.604 486 A HA 0.695 5.015 4.320 -0.000 0.000 0.295 486 A C -1.483 176.190 177.584 0.148 0.000 1.067 486 A CA -0.613 51.422 52.037 -0.002 0.000 0.683 486 A CB 1.963 20.930 19.000 -0.055 0.000 1.281 486 A HN 0.142 nan 8.150 nan 0.000 0.407 487 M N 2.346 122.070 119.600 0.206 0.000 2.255 487 M HA 0.566 5.046 4.480 -0.000 0.000 0.275 487 M C -2.276 174.106 176.300 0.137 0.000 1.050 487 M CA -0.389 55.024 55.300 0.188 0.000 0.978 487 M CB 1.831 34.596 32.600 0.274 0.000 1.761 487 M HN 0.499 nan 8.290 nan 0.000 0.479 488 V N 4.073 124.033 119.914 0.076 0.000 2.444 488 V HA 0.590 4.710 4.120 -0.000 0.000 0.294 488 V C 0.625 176.741 176.094 0.037 0.000 1.022 488 V CA -0.172 62.161 62.300 0.055 0.000 0.850 488 V CB 1.728 33.576 31.823 0.042 0.000 0.992 488 V HN 1.025 nan 8.190 nan 0.000 0.426 489 G N 2.915 111.728 108.800 0.021 0.000 3.393 489 G HA2 0.598 4.558 3.960 -0.000 0.000 0.255 489 G HA3 0.598 4.558 3.960 -0.000 0.000 0.255 489 G C 0.379 175.282 174.900 0.005 0.000 1.097 489 G CA 0.395 45.484 45.100 -0.017 0.000 0.780 489 G HN 1.134 nan 8.290 nan 0.000 0.540 490 G N -0.846 107.979 108.800 0.042 0.000 2.355 490 G HA2 0.398 4.358 3.960 -0.000 0.000 0.296 490 G HA3 0.398 4.358 3.960 -0.000 0.000 0.296 490 G C 0.674 175.602 174.900 0.047 0.000 1.507 490 G CA 0.438 45.580 45.100 0.069 0.000 0.823 490 G HN 0.537 nan 8.290 nan 0.000 0.569 491 S N -1.135 114.596 115.700 0.051 0.000 2.469 491 S HA 0.020 4.490 4.470 -0.000 0.000 0.238 491 S C 0.608 175.212 174.600 0.006 0.000 0.998 491 S CA 1.443 59.657 58.200 0.024 0.000 0.957 491 S CB 0.047 63.260 63.200 0.022 0.000 0.764 491 S HN 0.538 nan 8.310 nan 0.000 0.514 492 E N 1.760 121.966 120.200 0.009 0.000 2.916 492 E HA 0.241 4.591 4.350 -0.000 0.000 0.217 492 E C -2.291 174.245 176.600 -0.107 0.000 1.100 492 E CA -2.028 54.349 56.400 -0.038 0.000 0.891 492 E CB 1.310 31.044 29.700 0.057 0.000 1.311 492 E HN 0.338 nan 8.360 nan 0.000 0.421 493 P HA -0.121 nan 4.420 nan 0.000 0.229 493 P C 1.200 178.388 177.300 -0.187 0.000 1.160 493 P CA 0.597 63.637 63.100 -0.099 0.000 0.777 493 P CB 0.455 32.123 31.700 -0.054 0.000 0.814 494 Q N -0.209 119.345 119.800 -0.411 0.000 2.002 494 Q HA -0.081 4.259 4.340 -0.000 0.000 0.204 494 Q C 0.401 176.116 176.000 -0.475 0.000 0.988 494 Q CA 1.298 56.726 55.803 -0.625 0.000 0.843 494 Q CB -0.820 27.169 28.738 -1.249 0.000 0.908 494 Q HN 0.386 nan 8.270 nan 0.000 0.420 495 F N 0.141 120.086 119.950 -0.008 0.000 2.293 495 F HA 0.633 5.159 4.527 -0.000 0.000 0.370 495 F C -0.029 175.775 175.800 0.007 0.000 1.090 495 F CA -1.365 56.630 58.000 -0.010 0.000 1.133 495 F CB 0.546 39.536 39.000 -0.017 0.000 1.360 495 F HN -0.170 nan 8.300 nan 0.000 0.489 496 A N 1.116 124.009 122.820 0.121 0.000 2.342 496 A HA 0.817 5.137 4.320 -0.000 0.000 0.323 496 A C 0.583 178.218 177.584 0.084 0.000 1.125 496 A CA -0.036 52.053 52.037 0.086 0.000 0.785 496 A CB 1.292 20.316 19.000 0.041 0.000 1.221 496 A HN 0.798 nan 8.150 nan 0.000 0.463 497 G N -0.100 108.759 108.800 0.099 0.000 2.766 497 G HA2 0.272 4.232 3.960 -0.000 0.000 0.201 497 G HA3 0.272 4.232 3.960 -0.000 0.000 0.201 497 G C -0.201 174.781 174.900 0.136 0.000 1.177 497 G CA 0.133 45.291 45.100 0.097 0.000 0.773 497 G HN 0.607 nan 8.290 nan 0.000 0.648 498 Y N 2.661 122.967 120.300 0.010 0.000 2.436 498 Y HA 0.368 4.918 4.550 -0.000 0.000 0.343 498 Y C 0.213 176.112 175.900 -0.003 0.000 1.008 498 Y CA -1.564 56.535 58.100 -0.002 0.000 1.241 498 Y CB 0.131 38.590 38.460 -0.002 0.000 1.153 498 Y HN 0.214 nan 8.280 nan 0.000 0.521 499 N N 6.165 124.675 118.700 -0.318 0.000 2.500 499 N HA 0.157 4.897 4.740 -0.000 0.000 0.236 499 N C 0.507 175.717 175.510 -0.500 0.000 1.022 499 N CA -0.374 52.498 53.050 -0.296 0.000 0.935 499 N CB 0.429 38.818 38.487 -0.164 0.000 1.147 499 N HN 0.771 nan 8.380 nan 0.000 0.512 500 R N 2.312 122.552 120.500 -0.434 0.000 2.189 500 R HA -0.021 4.319 4.340 -0.000 0.000 0.218 500 R C 1.966 178.069 176.300 -0.328 0.000 1.074 500 R CA 1.006 56.821 56.100 -0.476 0.000 0.991 500 R CB 0.025 30.148 30.300 -0.295 0.000 0.883 500 R HN 0.545 nan 8.270 nan 0.000 0.457 501 A N 0.505 123.212 122.820 -0.189 0.000 2.019 501 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 501 A C 1.918 179.435 177.584 -0.112 0.000 1.164 501 A CA 1.299 53.273 52.037 -0.104 0.000 0.644 501 A CB -0.115 18.867 19.000 -0.030 0.000 0.805 501 A HN 0.216 nan 8.150 nan 0.000 0.449 502 M N -2.572 116.932 119.600 -0.160 0.000 2.393 502 M HA 0.091 4.570 4.480 -0.000 0.000 0.270 502 M C 1.678 177.885 176.300 -0.155 0.000 1.127 502 M CA 0.350 55.572 55.300 -0.131 0.000 1.104 502 M CB 0.646 33.178 32.600 -0.113 0.000 1.523 502 M HN 0.386 nan 8.290 nan 0.000 0.546 503 Q N 0.024 119.674 119.800 -0.250 0.000 2.353 503 Q HA 0.344 4.684 4.340 -0.000 0.000 0.240 503 Q C 0.406 176.289 176.000 -0.196 0.000 0.868 503 Q CA -0.081 55.591 55.803 -0.219 0.000 0.944 503 Q CB 0.955 29.531 28.738 -0.271 0.000 1.104 503 Q HN 0.310 nan 8.270 nan 0.000 0.531 504 A N 2.231 124.857 122.820 -0.325 0.000 2.437 504 A HA 0.274 4.594 4.320 -0.000 0.000 0.303 504 A C -0.311 177.119 177.584 -0.257 0.000 1.324 504 A CA -0.141 51.724 52.037 -0.286 0.000 0.983 504 A CB -0.211 18.468 19.000 -0.535 0.000 1.142 504 A HN 0.157 nan 8.150 nan 0.000 0.541 505 R N 2.781 123.209 120.500 -0.120 0.000 2.265 505 R HA 0.437 4.777 4.340 -0.000 0.000 0.314 505 R C -0.736 175.543 176.300 -0.035 0.000 1.053 505 R CA -0.186 55.879 56.100 -0.060 0.000 0.931 505 R CB 0.410 30.695 30.300 -0.024 0.000 1.024 505 R HN 0.668 nan 8.270 nan 0.000 0.457 506 R N 2.427 122.958 120.500 0.051 0.000 2.584 506 R HA 0.129 4.469 4.340 -0.000 0.000 0.276 506 R C -1.080 175.408 176.300 0.312 0.000 1.046 506 R CA -0.799 55.393 56.100 0.153 0.000 0.906 506 R CB 2.030 32.360 30.300 0.051 0.000 1.215 506 R HN 0.754 nan 8.270 nan 0.000 0.449 507 S N 2.304 118.158 115.700 0.256 0.000 2.626 507 S HA -0.034 4.436 4.470 -0.000 0.000 0.303 507 S C 1.730 176.558 174.600 0.380 0.000 1.256 507 S CA -0.166 58.173 58.200 0.232 0.000 1.069 507 S CB -0.004 63.311 63.200 0.192 0.000 0.807 507 S HN 0.577 nan 8.310 nan 0.000 0.500 508 I N 3.385 124.009 120.570 0.091 0.000 3.419 508 I HA 0.331 4.501 4.170 -0.000 0.000 0.286 508 I C 1.331 177.432 176.117 -0.028 0.000 1.268 508 I CA 0.235 61.402 61.300 -0.221 0.000 1.414 508 I CB -1.212 36.467 38.000 -0.535 0.000 1.074 508 I HN 0.845 nan 8.210 nan 0.000 0.457 509 G N 2.701 111.567 108.800 0.111 0.000 2.596 509 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.295 509 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.295 509 G C 0.779 175.755 174.900 0.127 0.000 1.240 509 G CA 1.104 46.296 45.100 0.154 0.000 0.985 509 G HN 0.737 nan 8.290 nan 0.000 0.555 510 S N -0.328 115.460 115.700 0.147 0.000 2.603 510 S HA 0.177 4.647 4.470 -0.000 0.000 0.229 510 S C 2.189 176.871 174.600 0.135 0.000 0.972 510 S CA 1.503 59.789 58.200 0.144 0.000 0.935 510 S CB 0.193 63.476 63.200 0.138 0.000 0.769 510 S HN 1.004 nan 8.310 nan 0.000 0.536 511 L N 1.562 122.843 121.223 0.097 0.000 2.362 511 L HA 0.221 4.561 4.340 -0.000 0.000 0.219 511 L C 2.479 179.494 176.870 0.241 0.000 1.134 511 L CA 1.070 55.979 54.840 0.114 0.000 0.807 511 L CB -0.928 41.071 42.059 -0.099 0.000 0.927 511 L HN 0.427 nan 8.230 nan 0.000 0.447 512 A N -1.187 121.767 122.820 0.224 0.000 2.121 512 A HA -0.162 4.157 4.320 -0.000 0.000 0.218 512 A C 2.228 180.001 177.584 0.316 0.000 1.154 512 A CA 1.126 53.415 52.037 0.420 0.000 0.679 512 A CB -0.395 18.816 19.000 0.351 0.000 0.795 512 A HN 0.455 nan 8.150 nan 0.000 0.458 513 K N -0.215 120.323 120.400 0.230 0.000 2.057 513 K HA -0.101 4.219 4.320 -0.000 0.000 0.207 513 K C -0.861 175.896 176.600 0.262 0.000 1.049 513 K CA 1.539 57.979 56.287 0.255 0.000 0.931 513 K CB -1.091 31.580 32.500 0.285 0.000 0.714 513 K HN 0.355 nan 8.250 nan 0.000 0.440 514 P HA -0.170 nan 4.420 nan 0.000 0.219 514 P C 1.013 178.236 177.300 -0.129 0.000 1.146 514 P CA 1.476 64.595 63.100 0.031 0.000 0.808 514 P CB -0.029 31.617 31.700 -0.091 0.000 0.779 515 A N -0.767 121.835 122.820 -0.364 0.000 1.948 515 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 515 A C 2.257 179.590 177.584 -0.418 0.000 1.177 515 A CA 2.533 54.148 52.037 -0.705 0.000 0.636 515 A CB -1.910 16.182 19.000 -1.513 0.000 0.815 515 A HN 0.181 nan 8.150 nan 0.000 0.449 516 T N -1.631 112.780 114.554 -0.240 0.000 2.857 516 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 516 T C 1.664 176.130 174.700 -0.389 0.000 1.048 516 T CA 1.582 63.501 62.100 -0.301 0.000 1.139 516 T CB -0.370 68.300 68.868 -0.330 0.000 0.874 516 T HN 0.588 nan 8.240 nan 0.000 0.455 517 Y N 0.570 120.777 120.300 -0.155 0.000 2.314 517 Y HA 0.126 4.675 4.550 -0.000 0.000 0.293 517 Y C 2.073 177.899 175.900 -0.123 0.000 1.129 517 Y CA 0.138 58.161 58.100 -0.128 0.000 1.201 517 Y CB -0.328 38.086 38.460 -0.078 0.000 0.999 517 Y HN 0.100 nan 8.280 nan 0.000 0.541 518 L N -0.449 120.759 121.223 -0.025 0.000 2.093 518 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 518 L C 2.093 178.912 176.870 -0.085 0.000 1.085 518 L CA 1.958 56.758 54.840 -0.066 0.000 0.755 518 L CB -1.004 40.957 42.059 -0.162 0.000 0.904 518 L HN 0.121 nan 8.230 nan 0.000 0.435 519 T N -0.118 114.342 114.554 -0.157 0.000 2.708 519 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 519 T C 1.920 176.551 174.700 -0.114 0.000 1.037 519 T CA 1.427 63.441 62.100 -0.143 0.000 1.146 519 T CB -0.581 68.174 68.868 -0.189 0.000 0.865 519 T HN 0.511 nan 8.240 nan 0.000 0.435 520 A N 1.469 124.162 122.820 -0.212 0.000 1.858 520 A HA 0.019 4.339 4.320 -0.000 0.000 0.216 520 A C 2.270 179.872 177.584 0.031 0.000 1.190 520 A CA 1.261 53.124 52.037 -0.290 0.000 0.617 520 A CB -0.960 17.661 19.000 -0.632 0.000 0.827 520 A HN 0.485 nan 8.150 nan 0.000 0.443 521 L N 0.306 121.573 121.223 0.074 0.000 2.353 521 L HA -0.099 4.240 4.340 -0.000 0.000 0.220 521 L C 2.062 179.104 176.870 0.286 0.000 1.133 521 L CA 0.913 55.868 54.840 0.192 0.000 0.798 521 L CB -0.300 41.862 42.059 0.172 0.000 0.922 521 L HN 0.272 nan 8.230 nan 0.000 0.445 522 S N -0.562 115.269 115.700 0.219 0.000 2.603 522 S HA -0.053 4.416 4.470 -0.000 0.000 0.229 522 S C 0.567 175.273 174.600 0.176 0.000 0.972 522 S CA 0.546 58.927 58.200 0.302 0.000 0.935 522 S CB -0.205 63.094 63.200 0.165 0.000 0.769 522 S HN 0.501 nan 8.310 nan 0.000 0.536 523 Q N 1.079 120.948 119.800 0.115 0.000 2.788 523 Q HA 0.228 4.568 4.340 -0.000 0.000 0.261 523 Q C -2.123 173.835 176.000 -0.069 0.000 1.029 523 Q CA -1.885 53.915 55.803 -0.006 0.000 0.848 523 Q CB 1.115 29.901 28.738 0.081 0.000 1.185 523 Q HN 0.113 nan 8.270 nan 0.000 0.482 524 P HA -0.177 nan 4.420 nan 0.000 0.225 524 P C 0.408 177.589 177.300 -0.199 0.000 1.148 524 P CA 0.970 63.910 63.100 -0.268 0.000 0.779 524 P CB 0.451 31.666 31.700 -0.808 0.000 0.780 525 K N -0.203 120.067 120.400 -0.215 0.000 2.361 525 K HA 0.101 4.420 4.320 -0.000 0.000 0.196 525 K C 2.097 178.621 176.600 -0.126 0.000 1.039 525 K CA 0.589 56.782 56.287 -0.157 0.000 1.001 525 K CB -0.177 32.228 32.500 -0.159 0.000 0.795 525 K HN 0.398 nan 8.250 nan 0.000 0.495 526 I N -4.047 116.439 120.570 -0.141 0.000 3.443 526 I HA 0.167 4.336 4.170 -0.000 0.000 0.277 526 I C -0.222 175.682 176.117 -0.355 0.000 1.169 526 I CA -0.111 61.031 61.300 -0.263 0.000 1.419 526 I CB 0.434 38.242 38.000 -0.321 0.000 1.331 526 I HN -0.264 nan 8.210 nan 0.000 0.458 527 Y N 2.662 122.959 120.300 -0.004 0.000 2.352 527 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 527 Y C -0.084 175.844 175.900 0.047 0.000 0.992 527 Y CA -0.607 57.506 58.100 0.021 0.000 1.100 527 Y CB 1.450 39.923 38.460 0.021 0.000 1.192 527 Y HN 0.034 nan 8.280 nan 0.000 0.458 528 R N 1.778 122.403 120.500 0.209 0.000 2.905 528 R HA 0.476 4.816 4.340 -0.000 0.000 0.260 528 R C 0.579 176.952 176.300 0.123 0.000 1.086 528 R CA -1.009 55.192 56.100 0.168 0.000 0.978 528 R CB 1.320 31.730 30.300 0.183 0.000 1.215 528 R HN 0.614 nan 8.270 nan 0.000 0.480 529 L N 0.871 122.149 121.223 0.090 0.000 2.081 529 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 529 L C 1.635 178.472 176.870 -0.056 0.000 1.080 529 L CA 2.115 56.979 54.840 0.040 0.000 0.754 529 L CB -0.667 41.401 42.059 0.014 0.000 0.893 529 L HN 0.738 nan 8.230 nan 0.000 0.433 530 N N -1.732 116.893 118.700 -0.125 0.000 2.383 530 N HA -0.032 4.707 4.740 -0.000 0.000 0.192 530 N C 0.120 175.365 175.510 -0.442 0.000 1.141 530 N CA -0.156 52.679 53.050 -0.358 0.000 0.851 530 N CB -0.002 38.194 38.487 -0.485 0.000 0.976 530 N HN 0.046 nan 8.380 nan 0.000 0.465 531 T N 1.237 115.676 114.554 -0.191 0.000 2.888 531 T HA 0.002 4.352 4.350 -0.000 0.000 0.301 531 T C -0.513 174.125 174.700 -0.103 0.000 1.001 531 T CA -0.161 61.881 62.100 -0.097 0.000 1.147 531 T CB 0.293 69.229 68.868 0.114 0.000 0.931 531 T HN 0.226 nan 8.240 nan 0.000 0.541 532 W N 3.483 124.802 121.300 0.030 0.000 2.287 532 W HA 0.433 5.092 4.660 -0.001 0.000 0.313 532 W C -0.084 176.474 176.519 0.064 0.000 1.267 532 W CA -0.933 56.429 57.345 0.028 0.000 1.201 532 W CB 0.488 29.943 29.460 -0.009 0.000 1.196 532 W HN 0.294 nan 8.180 nan 0.000 0.536 533 I N 3.702 124.472 120.570 0.333 0.000 2.378 533 I HA 0.313 4.483 4.170 -0.000 0.000 0.291 533 I C 0.573 176.807 176.117 0.195 0.000 0.992 533 I CA -1.511 59.927 61.300 0.230 0.000 1.154 533 I CB 0.496 38.611 38.000 0.192 0.000 1.315 533 I HN 0.486 nan 8.210 nan 0.000 0.448 534 A N 4.478 127.379 122.820 0.136 0.000 2.540 534 A HA 0.111 4.431 4.320 -0.000 0.000 0.239 534 A C 0.040 177.683 177.584 0.097 0.000 1.061 534 A CA 0.302 52.392 52.037 0.087 0.000 0.758 534 A CB -0.199 18.829 19.000 0.047 0.000 0.991 534 A HN 0.702 nan 8.150 nan 0.000 0.502 535 D N 0.869 121.322 120.400 0.089 0.000 2.404 535 D HA 0.592 5.232 4.640 -0.000 0.000 0.267 535 D C -0.387 175.956 176.300 0.072 0.000 1.194 535 D CA 0.659 54.739 54.000 0.133 0.000 0.910 535 D CB 0.633 41.539 40.800 0.176 0.000 1.090 535 D HN 0.801 nan 8.370 nan 0.000 0.511 536 A N 2.855 125.633 122.820 -0.071 0.000 2.602 536 A HA 0.765 5.084 4.320 -0.000 0.000 0.290 536 A C -2.751 174.478 177.584 -0.592 0.000 1.114 536 A CA -1.453 50.312 52.037 -0.452 0.000 0.683 536 A CB 0.861 19.701 19.000 -0.266 0.000 1.281 536 A HN 0.272 nan 8.150 nan 0.000 0.416 537 P HA 0.207 nan 4.420 nan 0.000 0.264 537 P C -0.874 176.335 177.300 -0.152 0.000 1.173 537 P CA 0.802 63.646 63.100 -0.426 0.000 0.761 537 P CB 0.193 31.713 31.700 -0.299 0.000 0.794 538 I N 1.494 122.038 120.570 -0.044 0.000 2.603 538 I HA 0.653 4.823 4.170 -0.000 0.000 0.300 538 I C -0.271 175.839 176.117 -0.011 0.000 1.017 538 I CA -0.814 60.476 61.300 -0.018 0.000 1.098 538 I CB 2.146 40.138 38.000 -0.013 0.000 1.279 538 I HN 0.267 nan 8.210 nan 0.000 0.437 539 A N 7.094 129.929 122.820 0.025 0.000 2.611 539 A HA 0.604 4.924 4.320 -0.000 0.000 0.282 539 A C -1.270 176.375 177.584 0.101 0.000 1.114 539 A CA -0.304 51.763 52.037 0.050 0.000 0.800 539 A CB 0.563 19.581 19.000 0.031 0.000 1.325 539 A HN 0.612 nan 8.150 nan 0.000 0.411 540 L N 3.484 124.816 121.223 0.181 0.000 2.277 540 L HA 0.421 4.761 4.340 -0.000 0.000 0.284 540 L C 0.502 177.478 176.870 0.177 0.000 1.028 540 L CA -0.567 54.400 54.840 0.210 0.000 0.835 540 L CB 1.096 43.366 42.059 0.352 0.000 1.215 540 L HN 0.642 nan 8.230 nan 0.000 0.425 541 R N 4.013 124.578 120.500 0.109 0.000 2.449 541 R HA 0.108 4.447 4.340 -0.000 0.000 0.296 541 R C -0.198 176.140 176.300 0.064 0.000 1.047 541 R CA 0.046 56.195 56.100 0.081 0.000 1.018 541 R CB 0.932 31.264 30.300 0.054 0.000 0.962 541 R HN 0.659 nan 8.270 nan 0.000 0.428 542 Q N 3.006 122.838 119.800 0.053 0.000 2.495 542 Q HA 0.577 4.917 4.340 -0.000 0.000 0.283 542 Q C -2.506 173.498 176.000 0.008 0.000 1.097 542 Q CA -2.273 53.537 55.803 0.013 0.000 0.836 542 Q CB 0.676 29.401 28.738 -0.021 0.000 1.426 542 Q HN 0.197 nan 8.270 nan 0.000 0.459 543 P HA -0.163 nan 4.420 nan 0.000 0.264 543 P C -0.922 176.379 177.300 0.001 0.000 1.156 543 P CA 0.801 63.897 63.100 -0.007 0.000 0.756 543 P CB 0.002 31.690 31.700 -0.019 0.000 0.764 544 N N 1.316 120.019 118.700 0.004 0.000 1.794 544 N HA -0.100 4.639 4.740 -0.000 0.000 0.324 544 N C 0.732 176.250 175.510 0.013 0.000 1.301 544 N CA 0.377 53.432 53.050 0.009 0.000 0.798 544 N CB -0.205 38.286 38.487 0.007 0.000 1.038 544 N HN 0.586 nan 8.380 nan 0.000 0.506 545 G N 1.636 110.449 108.800 0.022 0.000 3.873 545 G HA2 0.015 3.974 3.960 -0.000 0.000 0.232 545 G HA3 0.015 3.974 3.960 -0.000 0.000 0.232 545 G C -0.138 174.784 174.900 0.037 0.000 1.097 545 G CA -0.240 44.874 45.100 0.025 0.000 0.889 545 G HN 0.577 nan 8.290 nan 0.000 0.532 546 Q N 0.129 119.957 119.800 0.047 0.000 2.212 546 Q HA 0.591 4.931 4.340 -0.000 0.000 0.238 546 Q C -0.432 175.624 176.000 0.094 0.000 0.955 546 Q CA -0.594 55.247 55.803 0.064 0.000 0.906 546 Q CB 2.687 31.465 28.738 0.066 0.000 1.215 546 Q HN 0.009 nan 8.270 nan 0.000 0.478 547 V N 1.172 121.148 119.914 0.103 0.000 2.432 547 V HA 0.124 4.243 4.120 -0.000 0.000 0.275 547 V C -0.941 175.273 176.094 0.200 0.000 1.043 547 V CA -0.615 61.764 62.300 0.132 0.000 0.925 547 V CB 0.352 32.227 31.823 0.087 0.000 0.985 547 V HN 0.668 nan 8.190 nan 0.000 0.466 548 W N 4.490 125.807 121.300 0.027 0.000 2.388 548 W HA 0.450 5.110 4.660 -0.000 0.000 0.308 548 W C 0.615 177.158 176.519 0.040 0.000 1.263 548 W CA -0.238 57.127 57.345 0.033 0.000 1.286 548 W CB 1.242 30.722 29.460 0.033 0.000 1.294 548 W HN 0.526 nan 8.180 nan 0.000 0.493 549 S N 8.016 123.577 115.700 -0.231 0.000 2.150 549 S HA 0.392 4.862 4.470 -0.000 0.000 0.171 549 S C -2.422 171.939 174.600 -0.398 0.000 1.620 549 S CA -1.337 56.720 58.200 -0.239 0.000 1.190 549 S CB -0.104 63.048 63.200 -0.080 0.000 1.102 549 S HN 0.210 nan 8.310 nan 0.000 0.464 550 P HA 0.235 nan 4.420 nan 0.000 0.271 550 P C -0.569 176.585 177.300 -0.244 0.000 1.216 550 P CA -0.196 62.540 63.100 -0.608 0.000 0.776 550 P CB 0.489 31.682 31.700 -0.845 0.000 0.881 551 Q N 1.712 121.412 119.800 -0.166 0.000 2.348 551 Q HA 0.311 4.651 4.340 -0.000 0.000 0.271 551 Q C -0.156 175.786 176.000 -0.098 0.000 1.067 551 Q CA -0.829 54.911 55.803 -0.104 0.000 0.839 551 Q CB 1.920 30.595 28.738 -0.105 0.000 1.354 551 Q HN 0.443 nan 8.270 nan 0.000 0.447 552 N N 1.405 120.025 118.700 -0.133 0.000 2.344 552 N HA -0.143 4.597 4.740 -0.000 0.000 0.236 552 N C 0.910 176.368 175.510 -0.087 0.000 1.279 552 N CA -0.022 52.964 53.050 -0.106 0.000 0.882 552 N CB 0.536 38.926 38.487 -0.163 0.000 1.110 552 N HN 0.614 nan 8.380 nan 0.000 0.436 553 D N 1.088 121.463 120.400 -0.043 0.000 2.133 553 D HA -0.234 4.406 4.640 -0.000 0.000 0.192 553 D C 0.559 176.831 176.300 -0.048 0.000 1.001 553 D CA 1.649 55.636 54.000 -0.023 0.000 0.844 553 D CB -0.109 40.689 40.800 -0.003 0.000 0.944 553 D HN 0.709 nan 8.370 nan 0.000 0.447 554 D N -1.402 118.954 120.400 -0.073 0.000 2.368 554 D HA 0.069 4.709 4.640 -0.000 0.000 0.218 554 D C 0.483 176.711 176.300 -0.120 0.000 1.112 554 D CA -0.292 53.659 54.000 -0.082 0.000 0.834 554 D CB -0.376 40.382 40.800 -0.070 0.000 0.953 554 D HN 0.145 nan 8.370 nan 0.000 0.505 555 R N -0.612 119.789 120.500 -0.165 0.000 3.758 555 R HA -0.180 4.159 4.340 -0.000 0.000 0.299 555 R C -0.329 175.774 176.300 -0.328 0.000 1.182 555 R CA 0.777 56.740 56.100 -0.229 0.000 0.809 555 R CB -1.497 28.724 30.300 -0.132 0.000 1.249 555 R HN 0.297 nan 8.270 nan 0.000 0.497 556 R N -0.357 119.928 120.500 -0.359 0.000 2.832 556 R HA 0.483 4.823 4.340 -0.000 0.000 0.271 556 R C -0.687 175.305 176.300 -0.512 0.000 0.996 556 R CA -0.759 55.137 56.100 -0.339 0.000 0.977 556 R CB 1.294 31.512 30.300 -0.136 0.000 1.168 556 R HN -0.015 nan 8.270 nan 0.000 0.482 557 Y N -0.434 119.870 120.300 0.008 0.000 2.468 557 Y HA 0.220 4.769 4.550 -0.000 0.000 0.342 557 Y C 0.394 176.305 175.900 0.018 0.000 1.021 557 Y CA -0.805 57.303 58.100 0.012 0.000 1.079 557 Y CB 2.135 40.598 38.460 0.005 0.000 1.226 557 Y HN 0.483 nan 8.280 nan 0.000 0.460 558 S N 1.588 117.403 115.700 0.192 0.000 2.537 558 S HA -0.070 4.400 4.470 -0.000 0.000 0.286 558 S C 1.202 175.861 174.600 0.100 0.000 1.299 558 S CA -0.348 57.925 58.200 0.122 0.000 1.067 558 S CB 0.773 64.044 63.200 0.119 0.000 0.864 558 S HN 0.834 nan 8.310 nan 0.000 0.494 559 E N 3.755 123.999 120.200 0.073 0.000 2.118 559 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 559 E C 1.713 178.326 176.600 0.022 0.000 0.992 559 E CA 1.989 58.421 56.400 0.052 0.000 0.804 559 E CB -0.552 29.175 29.700 0.045 0.000 0.741 559 E HN 0.624 nan 8.360 nan 0.000 0.458 560 S N -0.950 114.753 115.700 0.005 0.000 2.547 560 S HA 0.118 4.588 4.470 -0.000 0.000 0.235 560 S C 1.820 176.380 174.600 -0.067 0.000 0.980 560 S CA 0.555 58.722 58.200 -0.054 0.000 0.941 560 S CB -0.667 62.464 63.200 -0.114 0.000 0.763 560 S HN 0.876 nan 8.310 nan 0.000 0.532 561 G N 1.707 110.499 108.800 -0.014 0.000 2.184 561 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.264 561 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.264 561 G C 0.042 174.941 174.900 -0.003 0.000 0.975 561 G CA 0.384 45.473 45.100 -0.018 0.000 0.642 561 G HN 1.040 nan 8.290 nan 0.000 0.536 562 R N -1.648 118.855 120.500 0.005 0.000 2.734 562 R HA 0.796 5.136 4.340 -0.000 0.000 0.271 562 R C -0.918 175.521 176.300 0.232 0.000 1.021 562 R CA -0.413 55.734 56.100 0.079 0.000 0.893 562 R CB 1.997 32.264 30.300 -0.054 0.000 1.244 562 R HN 1.163 nan 8.270 nan 0.000 0.464 563 V N -1.582 118.568 119.914 0.395 0.000 3.048 563 V HA 0.509 4.629 4.120 -0.000 0.000 0.303 563 V C -0.266 176.029 176.094 0.334 0.000 1.214 563 V CA -1.243 61.297 62.300 0.400 0.000 0.984 563 V CB 2.133 34.090 31.823 0.222 0.000 1.054 563 V HN 0.862 nan 8.190 nan 0.000 0.430 564 M N 2.764 122.377 119.600 0.021 0.000 2.242 564 M HA 0.338 4.818 4.480 -0.000 0.000 0.344 564 M C 1.239 177.517 176.300 -0.038 0.000 1.140 564 M CA -0.213 54.928 55.300 -0.264 0.000 1.160 564 M CB 1.549 33.798 32.600 -0.586 0.000 1.491 564 M HN 0.950 nan 8.290 nan 0.000 0.459 565 L N 3.141 124.367 121.223 0.005 0.000 2.043 565 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 565 L C 2.046 178.966 176.870 0.083 0.000 1.075 565 L CA 1.485 56.410 54.840 0.142 0.000 0.752 565 L CB -0.155 42.011 42.059 0.179 0.000 0.891 565 L HN 0.689 nan 8.230 nan 0.000 0.432 566 V N 0.334 120.262 119.914 0.024 0.000 2.282 566 V HA -0.340 3.779 4.120 -0.000 0.000 0.249 566 V C 1.989 178.078 176.094 -0.008 0.000 1.057 566 V CA 2.622 64.943 62.300 0.034 0.000 1.032 566 V CB -0.468 31.409 31.823 0.090 0.000 0.645 566 V HN 0.621 nan 8.190 nan 0.000 0.447 567 D N -0.099 120.300 120.400 -0.002 0.000 2.194 567 D HA 0.006 4.645 4.640 -0.000 0.000 0.204 567 D C 2.187 178.488 176.300 0.001 0.000 0.964 567 D CA 1.318 55.321 54.000 0.005 0.000 0.846 567 D CB -0.278 40.538 40.800 0.027 0.000 0.962 567 D HN 0.554 nan 8.370 nan 0.000 0.490 568 A N 1.174 124.011 122.820 0.028 0.000 1.908 568 A HA -0.168 4.151 4.320 -0.000 0.000 0.218 568 A C 2.117 179.646 177.584 -0.091 0.000 1.181 568 A CA 1.047 53.119 52.037 0.059 0.000 0.627 568 A CB -0.635 18.498 19.000 0.222 0.000 0.818 568 A HN 0.219 nan 8.150 nan 0.000 0.445 569 L N -0.282 120.715 121.223 -0.376 0.000 2.044 569 L HA -0.066 4.274 4.340 -0.000 0.000 0.205 569 L C 2.455 179.180 176.870 -0.240 0.000 1.075 569 L CA 2.772 57.260 54.840 -0.587 0.000 0.747 569 L CB -1.373 40.150 42.059 -0.894 0.000 0.903 569 L HN 0.386 nan 8.230 nan 0.000 0.435 570 T N -0.080 114.383 114.554 -0.152 0.000 2.699 570 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 570 T C 1.844 176.520 174.700 -0.039 0.000 1.036 570 T CA 1.966 64.019 62.100 -0.077 0.000 1.147 570 T CB -0.219 68.619 68.868 -0.049 0.000 0.862 570 T HN 0.338 nan 8.240 nan 0.000 0.446 571 R N 0.442 120.927 120.500 -0.025 0.000 2.334 571 R HA 0.298 4.637 4.340 -0.000 0.000 0.216 571 R C 0.907 177.218 176.300 0.018 0.000 0.905 571 R CA 0.065 56.169 56.100 0.006 0.000 1.064 571 R CB 0.283 30.595 30.300 0.020 0.000 1.046 571 R HN 0.137 nan 8.270 nan 0.000 0.508 572 S N 1.233 116.935 115.700 0.004 0.000 3.559 572 S HA -0.170 4.300 4.470 -0.000 0.000 0.369 572 S C 0.132 174.773 174.600 0.068 0.000 0.987 572 S CA 0.245 58.468 58.200 0.039 0.000 1.187 572 S CB -0.860 62.373 63.200 0.055 0.000 0.914 572 S HN 0.323 nan 8.310 nan 0.000 0.480 573 M N 2.263 121.908 119.600 0.076 0.000 2.292 573 M HA 0.119 4.599 4.480 -0.000 0.000 0.342 573 M C 1.459 177.830 176.300 0.117 0.000 1.538 573 M CA -0.282 55.072 55.300 0.089 0.000 1.163 573 M CB 0.280 32.940 32.600 0.100 0.000 1.823 573 M HN 0.248 nan 8.290 nan 0.000 0.462 574 N N 2.086 120.839 118.700 0.088 0.000 2.069 574 N HA -0.123 4.616 4.740 -0.000 0.000 0.191 574 N C 1.539 177.106 175.510 0.094 0.000 1.031 574 N CA 1.220 54.324 53.050 0.090 0.000 0.852 574 N CB -0.154 38.358 38.487 0.041 0.000 1.018 574 N HN 0.460 nan 8.380 nan 0.000 0.423 575 V N 1.705 121.673 119.914 0.090 0.000 2.323 575 V HA -0.085 4.035 4.120 -0.000 0.000 0.244 575 V C -0.840 175.328 176.094 0.123 0.000 1.041 575 V CA 1.481 63.846 62.300 0.107 0.000 1.025 575 V CB -1.108 30.822 31.823 0.179 0.000 0.656 575 V HN 0.194 nan 8.190 nan 0.000 0.451 576 P HA -0.087 nan 4.420 nan 0.000 0.220 576 P C 1.711 179.085 177.300 0.124 0.000 1.148 576 P CA 1.412 64.600 63.100 0.145 0.000 0.803 576 P CB -0.138 31.671 31.700 0.181 0.000 0.782 577 T N -1.040 113.605 114.554 0.152 0.000 2.746 577 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 577 T C 1.802 176.527 174.700 0.042 0.000 1.039 577 T CA 1.178 63.335 62.100 0.096 0.000 1.142 577 T CB -0.901 68.086 68.868 0.199 0.000 0.866 577 T HN -0.081 nan 8.240 nan 0.000 0.444 578 V N 2.316 122.297 119.914 0.111 0.000 2.453 578 V HA -0.117 4.003 4.120 -0.000 0.000 0.247 578 V C 2.423 178.579 176.094 0.103 0.000 1.048 578 V CA 1.300 63.692 62.300 0.154 0.000 1.049 578 V CB -0.547 31.410 31.823 0.225 0.000 0.672 578 V HN 0.421 nan 8.190 nan 0.000 0.457 579 N N 0.125 118.874 118.700 0.082 0.000 2.142 579 N HA -0.112 4.628 4.740 -0.000 0.000 0.186 579 N C 1.683 177.213 175.510 0.033 0.000 1.023 579 N CA 1.209 54.300 53.050 0.068 0.000 0.852 579 N CB -0.443 38.089 38.487 0.075 0.000 0.998 579 N HN 0.368 nan 8.380 nan 0.000 0.424 580 L N 0.994 122.205 121.223 -0.019 0.000 1.976 580 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 580 L C 2.097 178.872 176.870 -0.158 0.000 1.071 580 L CA 2.063 56.824 54.840 -0.132 0.000 0.746 580 L CB -1.252 40.621 42.059 -0.310 0.000 0.890 580 L HN 0.163 nan 8.230 nan 0.000 0.432 581 G N -0.972 107.743 108.800 -0.141 0.000 2.418 581 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.217 581 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.217 581 G C 1.475 176.354 174.900 -0.034 0.000 1.158 581 G CA 1.016 46.053 45.100 -0.106 0.000 0.771 581 G HN 0.322 nan 8.290 nan 0.000 0.545 582 M N 1.220 120.829 119.600 0.015 0.000 2.159 582 M HA 0.124 4.604 4.480 -0.000 0.000 0.263 582 M C 2.915 179.233 176.300 0.030 0.000 1.063 582 M CA 0.893 56.216 55.300 0.038 0.000 1.110 582 M CB -1.203 31.442 32.600 0.075 0.000 1.374 582 M HN 0.316 nan 8.290 nan 0.000 0.411 583 A N -0.185 122.654 122.820 0.031 0.000 1.898 583 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 583 A C 2.277 179.897 177.584 0.060 0.000 1.181 583 A CA 1.199 53.273 52.037 0.062 0.000 0.620 583 A CB -0.828 18.239 19.000 0.112 0.000 0.819 583 A HN 0.473 nan 8.150 nan 0.000 0.442 584 L N -1.179 120.048 121.223 0.006 0.000 2.217 584 L HA 0.169 4.509 4.340 -0.000 0.000 0.211 584 L C 1.263 178.132 176.870 -0.002 0.000 1.107 584 L CA 0.575 55.410 54.840 -0.008 0.000 0.783 584 L CB -0.827 41.164 42.059 -0.112 0.000 0.919 584 L HN 0.636 nan 8.230 nan 0.000 0.442 585 G N -0.876 107.921 108.800 -0.005 0.000 2.895 585 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.686 585 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.686 585 G C 0.124 175.020 174.900 -0.007 0.000 1.108 585 G CA -0.510 44.590 45.100 0.000 0.000 0.761 585 G HN 0.059 nan 8.290 nan 0.000 0.611 586 L N 1.827 123.050 121.223 -0.001 0.000 2.131 586 L HA -0.028 4.312 4.340 -0.000 0.000 0.210 586 L C 0.173 177.051 176.870 0.013 0.000 1.092 586 L CA 1.718 56.562 54.840 0.006 0.000 0.759 586 L CB -1.008 41.050 42.059 -0.002 0.000 0.903 586 L HN 0.470 nan 8.230 nan 0.000 0.435 587 P HA -0.145 nan 4.420 nan 0.000 0.215 587 P C 1.591 178.894 177.300 0.005 0.000 1.157 587 P CA 1.689 64.793 63.100 0.007 0.000 0.863 587 P CB 0.033 31.735 31.700 0.004 0.000 0.787 588 A N -0.471 122.346 122.820 -0.005 0.000 1.902 588 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 588 A C 2.356 179.918 177.584 -0.037 0.000 1.181 588 A CA 1.953 53.979 52.037 -0.018 0.000 0.623 588 A CB -1.778 17.209 19.000 -0.022 0.000 0.818 588 A HN 0.029 nan 8.150 nan 0.000 0.443 589 V N -0.358 119.534 119.914 -0.036 0.000 2.343 589 V HA -0.227 3.893 4.120 -0.000 0.000 0.247 589 V C 2.721 178.825 176.094 0.018 0.000 1.051 589 V CA 2.452 64.716 62.300 -0.059 0.000 1.036 589 V CB -1.301 30.509 31.823 -0.022 0.000 0.654 589 V HN 0.599 nan 8.190 nan 0.000 0.451 590 T N -0.603 114.007 114.554 0.094 0.000 2.759 590 T HA -0.254 4.096 4.350 -0.000 0.000 0.269 590 T C 1.873 176.642 174.700 0.115 0.000 1.042 590 T CA 1.831 64.027 62.100 0.160 0.000 1.140 590 T CB -0.219 68.697 68.868 0.079 0.000 0.864 590 T HN 0.642 nan 8.240 nan 0.000 0.455 591 E N 0.194 120.418 120.200 0.040 0.000 2.150 591 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 591 E C 2.050 178.646 176.600 -0.006 0.000 0.985 591 E CA 1.118 57.528 56.400 0.017 0.000 0.814 591 E CB -0.003 29.697 29.700 -0.000 0.000 0.752 591 E HN 0.381 nan 8.360 nan 0.000 0.466 592 T N -0.091 114.423 114.554 -0.065 0.000 2.746 592 T HA -0.168 4.181 4.350 -0.000 0.000 0.267 592 T C 1.093 175.694 174.700 -0.165 0.000 1.039 592 T CA 1.411 63.411 62.100 -0.167 0.000 1.142 592 T CB -0.459 68.236 68.868 -0.290 0.000 0.866 592 T HN 0.409 nan 8.240 nan 0.000 0.444 593 W N 0.935 122.185 121.300 -0.083 0.000 2.342 593 W HA -0.034 4.626 4.660 -0.000 0.000 0.297 593 W C 2.051 178.519 176.519 -0.085 0.000 1.213 593 W CA 0.229 57.517 57.345 -0.096 0.000 1.251 593 W CB -0.359 29.045 29.460 -0.094 0.000 1.136 593 W HN 0.240 nan 8.180 nan 0.000 0.526 594 I N 0.018 120.684 120.570 0.160 0.000 2.286 594 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 594 I C 2.155 178.298 176.117 0.043 0.000 1.104 594 I CA 1.303 62.651 61.300 0.080 0.000 1.397 594 I CB -0.485 37.541 38.000 0.044 0.000 1.072 594 I HN -0.135 nan 8.210 nan 0.000 0.417 595 K N 0.646 121.056 120.400 0.017 0.000 2.147 595 K HA -0.104 4.216 4.320 -0.000 0.000 0.205 595 K C 1.978 178.569 176.600 -0.015 0.000 1.049 595 K CA 1.195 57.478 56.287 -0.007 0.000 0.936 595 K CB -0.114 32.370 32.500 -0.028 0.000 0.722 595 K HN 0.311 nan 8.250 nan 0.000 0.446 596 L N -0.704 120.507 121.223 -0.020 0.000 2.395 596 L HA -0.012 4.328 4.340 -0.000 0.000 0.218 596 L C 1.164 178.043 176.870 0.016 0.000 1.130 596 L CA 0.802 55.619 54.840 -0.038 0.000 0.826 596 L CB -0.024 41.980 42.059 -0.091 0.000 0.941 596 L HN 0.535 nan 8.230 nan 0.000 0.451 597 G N 0.138 108.965 108.800 0.045 0.000 2.159 597 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.170 597 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.170 597 G C 0.197 175.120 174.900 0.039 0.000 1.007 597 G CA -0.024 45.096 45.100 0.035 0.000 0.672 597 G HN 0.155 nan 8.290 nan 0.000 0.507 598 V N -1.499 118.456 119.914 0.068 0.000 2.834 598 V HA 0.779 4.899 4.120 -0.000 0.000 0.301 598 V C -1.638 174.438 176.094 -0.030 0.000 1.066 598 V CA -2.164 60.141 62.300 0.008 0.000 1.052 598 V CB 0.820 32.621 31.823 -0.037 0.000 1.021 598 V HN 0.056 nan 8.190 nan 0.000 0.480 599 P HA 0.194 nan 4.420 nan 0.000 0.263 599 P C 0.071 177.318 177.300 -0.087 0.000 1.195 599 P CA 0.085 63.147 63.100 -0.064 0.000 0.762 599 P CB 0.360 32.018 31.700 -0.071 0.000 0.799 600 K N 1.938 122.297 120.400 -0.068 0.000 2.148 600 K HA -0.136 4.183 4.320 -0.000 0.000 0.204 600 K C 1.177 177.699 176.600 -0.129 0.000 1.050 600 K CA 1.545 57.783 56.287 -0.081 0.000 0.942 600 K CB -0.157 32.313 32.500 -0.050 0.000 0.724 600 K HN 0.585 nan 8.250 nan 0.000 0.446 601 D N -0.277 120.055 120.400 -0.113 0.000 2.328 601 D HA -0.082 4.558 4.640 -0.000 0.000 0.226 601 D C 1.072 177.260 176.300 -0.186 0.000 1.066 601 D CA 0.397 54.322 54.000 -0.125 0.000 0.861 601 D CB 0.253 41.021 40.800 -0.054 0.000 0.912 601 D HN -0.014 nan 8.370 nan 0.000 0.521 602 Q N -0.089 119.572 119.800 -0.231 0.000 2.356 602 Q HA 0.268 4.608 4.340 -0.000 0.000 0.205 602 Q C 0.362 176.061 176.000 -0.501 0.000 0.901 602 Q CA -0.006 55.647 55.803 -0.251 0.000 0.938 602 Q CB 0.886 29.522 28.738 -0.170 0.000 1.081 602 Q HN 0.388 nan 8.270 nan 0.000 0.517 603 L N 1.969 122.867 121.223 -0.542 0.000 2.278 603 L HA 0.206 4.546 4.340 -0.000 0.000 0.287 603 L C -0.662 175.811 176.870 -0.661 0.000 1.072 603 L CA -0.145 54.405 54.840 -0.484 0.000 0.819 603 L CB 0.327 42.234 42.059 -0.253 0.000 1.176 603 L HN 0.054 nan 8.230 nan 0.000 0.435 604 H N 3.774 122.788 119.070 -0.093 0.000 2.762 604 H HA 0.266 4.822 4.556 -0.000 0.000 0.310 604 H C -2.190 173.095 175.328 -0.072 0.000 1.004 604 H CA -1.841 54.163 56.048 -0.073 0.000 1.267 604 H CB 0.905 30.622 29.762 -0.075 0.000 1.437 604 H HN 0.364 nan 8.280 nan 0.000 0.498 605 P HA 0.036 nan 4.420 nan 0.000 0.238 605 P C -0.569 176.713 177.300 -0.029 0.000 1.794 605 P CA -0.200 62.897 63.100 -0.005 0.000 1.088 605 P CB 0.139 31.836 31.700 -0.005 0.000 1.923 606 V N 0.179 120.055 119.914 -0.064 0.000 3.102 606 V HA 0.532 4.652 4.120 -0.000 0.000 0.312 606 V C -2.022 173.935 176.094 -0.228 0.000 1.135 606 V CA -2.696 59.519 62.300 -0.143 0.000 1.022 606 V CB 1.521 33.242 31.823 -0.170 0.000 1.056 606 V HN -0.146 nan 8.190 nan 0.000 0.436 607 P HA -0.139 nan 4.420 nan 0.000 0.217 607 P C 1.508 178.476 177.300 -0.554 0.000 1.148 607 P CA 2.550 65.361 63.100 -0.483 0.000 0.834 607 P CB 0.052 31.287 31.700 -0.776 0.000 0.783 608 A N -0.552 121.859 122.820 -0.682 0.000 2.067 608 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 608 A C 2.173 179.750 177.584 -0.012 0.000 1.158 608 A CA 1.548 53.430 52.037 -0.257 0.000 0.661 608 A CB -1.399 17.484 19.000 -0.195 0.000 0.801 608 A HN 0.243 nan 8.150 nan 0.000 0.452 609 M N -0.199 119.368 119.600 -0.054 0.000 2.106 609 M HA -0.182 4.298 4.480 -0.000 0.000 0.259 609 M C 1.619 177.980 176.300 0.101 0.000 1.068 609 M CA 2.052 57.359 55.300 0.012 0.000 1.100 609 M CB -0.528 32.072 32.600 0.000 0.000 1.351 609 M HN 0.321 nan 8.290 nan 0.000 0.404 610 L N 0.317 121.608 121.223 0.114 0.000 2.127 610 L HA -0.166 4.173 4.340 -0.000 0.000 0.211 610 L C 1.910 178.905 176.870 0.208 0.000 1.089 610 L CA 1.006 55.946 54.840 0.167 0.000 0.757 610 L CB -0.662 41.487 42.059 0.151 0.000 0.899 610 L HN 0.471 nan 8.230 nan 0.000 0.434 611 L N -0.754 120.608 121.223 0.233 0.000 2.700 611 L HA 0.310 4.649 4.340 -0.000 0.000 0.234 611 L C 1.035 178.017 176.870 0.186 0.000 1.156 611 L CA 0.384 55.365 54.840 0.234 0.000 0.946 611 L CB 0.077 42.313 42.059 0.296 0.000 1.216 611 L HN 0.411 nan 8.230 nan 0.000 0.493 612 G N 0.423 109.310 108.800 0.145 0.000 2.141 612 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.164 612 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.164 612 G C 0.366 175.298 174.900 0.054 0.000 1.009 612 G CA -0.173 44.979 45.100 0.087 0.000 0.677 612 G HN 0.353 nan 8.290 nan 0.000 0.508 613 A N 0.197 123.048 122.820 0.052 0.000 3.030 613 A HA 0.621 4.941 4.320 -0.000 0.000 0.273 613 A C 0.124 177.695 177.584 -0.021 0.000 1.841 613 A CA 0.689 52.743 52.037 0.028 0.000 1.479 613 A CB -0.168 18.843 19.000 0.018 0.000 1.048 613 A HN 1.605 nan 8.150 nan 0.000 0.612 614 L N 1.122 122.311 121.223 -0.057 0.000 2.661 614 L HA 0.353 4.693 4.340 -0.000 0.000 0.263 614 L C -1.358 175.439 176.870 -0.121 0.000 0.956 614 L CA -0.483 54.264 54.840 -0.155 0.000 0.918 614 L CB 1.228 43.064 42.059 -0.373 0.000 1.280 614 L HN 0.448 nan 8.230 nan 0.000 0.416 615 N N 6.280 124.940 118.700 -0.067 0.000 2.426 615 N HA 0.754 5.493 4.740 -0.000 0.000 0.257 615 N C -1.190 174.288 175.510 -0.052 0.000 1.002 615 N CA -0.466 52.573 53.050 -0.017 0.000 0.942 615 N CB 1.243 39.743 38.487 0.021 0.000 1.112 615 N HN 0.467 nan 8.380 nan 0.000 0.499 616 L N 0.725 121.929 121.223 -0.031 0.000 2.350 616 L HA 0.549 4.888 4.340 -0.000 0.000 0.260 616 L C 0.511 177.408 176.870 0.046 0.000 1.015 616 L CA -1.064 53.745 54.840 -0.050 0.000 0.821 616 L CB 2.179 44.149 42.059 -0.148 0.000 1.370 616 L HN 0.486 nan 8.230 nan 0.000 0.416 617 T N -2.926 111.637 114.554 0.016 0.000 2.874 617 T HA 0.299 4.648 4.350 -0.000 0.000 0.281 617 T C -2.146 172.635 174.700 0.135 0.000 0.994 617 T CA -1.647 60.469 62.100 0.027 0.000 1.015 617 T CB 1.511 70.355 68.868 -0.040 0.000 1.028 617 T HN 0.289 nan 8.240 nan 0.000 0.523 618 P HA -0.002 nan 4.420 nan 0.000 0.215 618 P C 1.612 178.993 177.300 0.136 0.000 1.153 618 P CA 0.530 63.792 63.100 0.271 0.000 0.853 618 P CB -0.051 31.740 31.700 0.152 0.000 0.788 619 I N -0.493 120.113 120.570 0.059 0.000 2.361 619 I HA -0.240 3.929 4.170 -0.000 0.000 0.251 619 I C 1.873 178.011 176.117 0.035 0.000 1.133 619 I CA 1.662 62.985 61.300 0.038 0.000 1.413 619 I CB -0.095 37.909 38.000 0.006 0.000 1.073 619 I HN -0.067 nan 8.210 nan 0.000 0.424 620 E N -0.395 119.819 120.200 0.023 0.000 2.072 620 E HA -0.159 4.190 4.350 -0.000 0.000 0.190 620 E C 2.240 178.858 176.600 0.030 0.000 0.982 620 E CA 1.352 57.758 56.400 0.009 0.000 0.803 620 E CB -0.004 29.681 29.700 -0.024 0.000 0.755 620 E HN 0.343 nan 8.360 nan 0.000 0.453 621 V N 1.646 121.578 119.914 0.030 0.000 2.287 621 V HA -0.320 3.799 4.120 -0.000 0.000 0.248 621 V C 2.379 178.583 176.094 0.184 0.000 1.053 621 V CA 1.904 64.246 62.300 0.070 0.000 1.027 621 V CB -0.864 30.918 31.823 -0.069 0.000 0.646 621 V HN 0.335 nan 8.190 nan 0.000 0.447 622 A N -0.299 122.593 122.820 0.120 0.000 1.903 622 A HA -0.383 3.937 4.320 -0.000 0.000 0.219 622 A C 2.196 179.846 177.584 0.109 0.000 1.191 622 A CA 2.578 54.679 52.037 0.107 0.000 0.638 622 A CB -0.715 18.325 19.000 0.067 0.000 0.823 622 A HN 0.564 nan 8.150 nan 0.000 0.451 623 Q N -0.159 119.688 119.800 0.077 0.000 2.096 623 Q HA -0.161 4.178 4.340 -0.000 0.000 0.208 623 Q C 2.062 178.096 176.000 0.056 0.000 0.993 623 Q CA 2.728 58.564 55.803 0.054 0.000 0.862 623 Q CB -0.706 28.053 28.738 0.035 0.000 0.915 623 Q HN 0.600 nan 8.270 nan 0.000 0.416 624 A N -0.949 121.920 122.820 0.083 0.000 1.877 624 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 624 A C 1.933 179.455 177.584 -0.103 0.000 1.186 624 A CA 1.458 53.505 52.037 0.017 0.000 0.620 624 A CB -0.882 18.184 19.000 0.111 0.000 0.822 624 A HN 0.481 nan 8.150 nan 0.000 0.443 625 F N -0.329 119.603 119.950 -0.030 0.000 2.367 625 F HA -0.092 4.434 4.527 -0.000 0.000 0.298 625 F C 2.588 178.341 175.800 -0.079 0.000 1.094 625 F CA 1.325 59.283 58.000 -0.070 0.000 1.409 625 F CB -0.006 38.937 39.000 -0.096 0.000 1.064 625 F HN 0.260 nan 8.300 nan 0.000 0.528 626 Q N 0.514 120.367 119.800 0.089 0.000 2.124 626 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 626 Q C 1.855 177.839 176.000 -0.028 0.000 0.977 626 Q CA 2.095 57.903 55.803 0.009 0.000 0.850 626 Q CB -0.512 28.233 28.738 0.011 0.000 0.901 626 Q HN 0.303 nan 8.270 nan 0.000 0.429 627 T N 1.450 115.985 114.554 -0.032 0.000 2.833 627 T HA -0.120 4.230 4.350 -0.000 0.000 0.269 627 T C 1.846 176.506 174.700 -0.067 0.000 1.054 627 T CA 1.376 63.448 62.100 -0.047 0.000 1.135 627 T CB -0.199 68.633 68.868 -0.059 0.000 0.869 627 T HN 0.485 nan 8.240 nan 0.000 0.466 628 I N 0.817 121.329 120.570 -0.096 0.000 2.585 628 I HA 0.276 4.446 4.170 -0.000 0.000 0.254 628 I C 2.443 178.525 176.117 -0.058 0.000 1.129 628 I CA 0.998 62.241 61.300 -0.096 0.000 1.455 628 I CB -0.490 37.411 38.000 -0.165 0.000 1.111 628 I HN 0.085 nan 8.210 nan 0.000 0.433 629 A N 0.831 123.617 122.820 -0.056 0.000 1.978 629 A HA -0.202 4.117 4.320 -0.000 0.000 0.220 629 A C 2.414 179.886 177.584 -0.188 0.000 1.170 629 A CA 2.003 53.981 52.037 -0.099 0.000 0.636 629 A CB -1.329 17.605 19.000 -0.111 0.000 0.810 629 A HN 0.681 nan 8.150 nan 0.000 0.448 630 S N -1.779 113.824 115.700 -0.160 0.000 2.607 630 S HA 0.346 4.816 4.470 -0.000 0.000 0.224 630 S C 1.335 176.000 174.600 0.108 0.000 0.969 630 S CA 1.032 59.160 58.200 -0.121 0.000 0.927 630 S CB -0.457 62.752 63.200 0.015 0.000 0.772 630 S HN 1.971 nan 8.310 nan 0.000 0.533 631 G N 0.119 108.949 108.800 0.050 0.000 2.132 631 G HA2 0.176 4.136 3.960 -0.000 0.000 0.228 631 G HA3 0.176 4.136 3.960 -0.000 0.000 0.228 631 G C 0.902 175.818 174.900 0.027 0.000 1.000 631 G CA 0.129 45.273 45.100 0.073 0.000 0.693 631 G HN 1.833 nan 8.290 nan 0.000 0.515 632 G N -1.525 107.276 108.800 0.003 0.000 2.163 632 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.213 632 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.213 632 G C -0.128 174.770 174.900 -0.004 0.000 0.991 632 G CA 0.323 45.412 45.100 -0.018 0.000 0.653 632 G HN 1.119 nan 8.290 nan 0.000 0.518 633 N N 0.284 118.996 118.700 0.020 0.000 2.425 633 N HA 0.472 5.211 4.740 -0.000 0.000 0.268 633 N C 0.108 175.630 175.510 0.019 0.000 0.991 633 N CA -0.641 52.426 53.050 0.028 0.000 0.931 633 N CB 0.926 39.448 38.487 0.059 0.000 1.130 633 N HN 0.259 nan 8.380 nan 0.000 0.493 634 R N 2.481 122.986 120.500 0.008 0.000 2.248 634 R HA 0.330 4.670 4.340 -0.000 0.000 0.337 634 R C -0.920 175.384 176.300 0.007 0.000 1.085 634 R CA -0.350 55.752 56.100 0.002 0.000 0.934 634 R CB 0.225 30.524 30.300 -0.002 0.000 1.034 634 R HN 0.551 nan 8.270 nan 0.000 0.465 635 A N 7.078 129.904 122.820 0.011 0.000 2.294 635 A HA 0.392 4.712 4.320 -0.000 0.000 0.316 635 A C -2.295 175.290 177.584 0.001 0.000 1.359 635 A CA -1.940 50.101 52.037 0.007 0.000 0.956 635 A CB 0.619 19.636 19.000 0.027 0.000 1.155 635 A HN 0.553 nan 8.150 nan 0.000 0.544 636 P HA 0.052 nan 4.420 nan 0.000 0.261 636 P C -0.296 177.003 177.300 -0.001 0.000 1.183 636 P CA 0.335 63.429 63.100 -0.009 0.000 0.761 636 P CB 0.327 32.014 31.700 -0.022 0.000 0.785 637 L N 2.715 123.942 121.223 0.008 0.000 2.490 637 L HA 0.184 4.524 4.340 -0.000 0.000 0.274 637 L C 0.976 177.855 176.870 0.015 0.000 1.201 637 L CA 0.650 55.502 54.840 0.019 0.000 0.869 637 L CB -0.017 42.056 42.059 0.022 0.000 1.123 637 L HN 0.491 nan 8.230 nan 0.000 0.484 638 S N 1.396 117.118 115.700 0.036 0.000 2.569 638 S HA 0.726 5.196 4.470 -0.000 0.000 0.280 638 S C -0.027 174.616 174.600 0.071 0.000 1.111 638 S CA -0.209 58.013 58.200 0.036 0.000 0.887 638 S CB 2.156 65.388 63.200 0.053 0.000 1.095 638 S HN 0.621 nan 8.310 nan 0.000 0.476 639 A N 1.178 124.018 122.820 0.033 0.000 2.431 639 A HA 0.553 4.872 4.320 -0.000 0.000 0.239 639 A C 0.125 177.807 177.584 0.162 0.000 1.230 639 A CA -0.198 51.888 52.037 0.083 0.000 0.928 639 A CB -0.164 18.686 19.000 -0.250 0.000 1.006 639 A HN 0.731 nan 8.150 nan 0.000 0.520 640 L N -0.593 120.706 121.223 0.128 0.000 2.334 640 L HA 0.540 4.879 4.340 -0.000 0.000 0.276 640 L C 1.334 178.375 176.870 0.284 0.000 1.014 640 L CA -0.846 54.106 54.840 0.186 0.000 0.815 640 L CB 1.610 43.714 42.059 0.075 0.000 1.268 640 L HN 0.121 nan 8.230 nan 0.000 0.428 641 R N 0.656 121.351 120.500 0.325 0.000 2.167 641 R HA 0.274 4.614 4.340 -0.000 0.000 0.195 641 R C 0.036 176.531 176.300 0.325 0.000 1.027 641 R CA 0.693 56.968 56.100 0.292 0.000 1.114 641 R CB 0.886 31.338 30.300 0.253 0.000 1.075 641 R HN 0.813 nan 8.270 nan 0.000 0.538 642 S N -1.164 114.784 115.700 0.414 0.000 2.588 642 S HA 0.559 5.029 4.470 -0.000 0.000 0.269 642 S C -1.115 173.777 174.600 0.487 0.000 1.157 642 S CA -0.845 57.614 58.200 0.431 0.000 0.824 642 S CB 2.410 65.772 63.200 0.270 0.000 1.126 642 S HN -0.163 nan 8.310 nan 0.000 0.464 643 V N 2.201 122.373 119.914 0.430 0.000 2.525 643 V HA 0.579 4.699 4.120 -0.000 0.000 0.299 643 V C -0.970 175.290 176.094 0.277 0.000 1.034 643 V CA -0.584 61.909 62.300 0.320 0.000 0.863 643 V CB 1.298 33.264 31.823 0.239 0.000 0.999 643 V HN 0.864 nan 8.190 nan 0.000 0.423 644 I N 3.083 123.819 120.570 0.275 0.000 2.646 644 I HA 0.755 4.925 4.170 -0.000 0.000 0.299 644 I C 0.532 176.748 176.117 0.165 0.000 1.036 644 I CA -0.587 60.853 61.300 0.233 0.000 1.074 644 I CB 1.980 40.172 38.000 0.320 0.000 1.258 644 I HN 0.681 nan 8.210 nan 0.000 0.430 645 A N 4.043 126.937 122.820 0.125 0.000 2.272 645 A HA 0.318 4.638 4.320 -0.000 0.000 0.275 645 A C 1.221 178.860 177.584 0.091 0.000 1.096 645 A CA -0.299 51.794 52.037 0.093 0.000 0.822 645 A CB 0.205 19.249 19.000 0.073 0.000 1.088 645 A HN 0.861 nan 8.150 nan 0.000 0.495 646 E N 0.280 120.524 120.200 0.074 0.000 2.171 646 E HA -0.271 4.079 4.350 -0.000 0.000 0.197 646 E C 0.264 176.905 176.600 0.068 0.000 0.997 646 E CA 1.628 58.072 56.400 0.074 0.000 0.810 646 E CB -0.356 29.380 29.700 0.060 0.000 0.738 646 E HN 0.720 nan 8.360 nan 0.000 0.467 647 D N -0.573 119.862 120.400 0.059 0.000 2.339 647 D HA 0.107 4.747 4.640 -0.000 0.000 0.217 647 D C 1.343 177.675 176.300 0.053 0.000 1.050 647 D CA 0.507 54.538 54.000 0.051 0.000 0.856 647 D CB 0.489 41.313 40.800 0.040 0.000 0.922 647 D HN 0.363 nan 8.370 nan 0.000 0.518 648 G N 0.618 109.458 108.800 0.067 0.000 2.176 648 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.232 648 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.232 648 G C 0.166 175.107 174.900 0.069 0.000 0.986 648 G CA 0.024 45.166 45.100 0.070 0.000 0.643 648 G HN 0.553 nan 8.290 nan 0.000 0.522 649 K N 1.081 121.521 120.400 0.067 0.000 2.368 649 K HA 0.433 4.752 4.320 -0.000 0.000 0.282 649 K C 0.516 177.165 176.600 0.082 0.000 1.035 649 K CA -0.397 55.928 56.287 0.063 0.000 0.973 649 K CB 0.615 33.148 32.500 0.054 0.000 0.957 649 K HN 0.025 nan 8.250 nan 0.000 0.474 650 V N 7.776 127.734 119.914 0.073 0.000 2.397 650 V HA -0.002 4.118 4.120 -0.000 0.000 0.262 650 V C 1.296 177.450 176.094 0.100 0.000 1.047 650 V CA 0.024 62.378 62.300 0.090 0.000 1.003 650 V CB 0.430 32.287 31.823 0.056 0.000 1.037 650 V HN 0.803 nan 8.190 nan 0.000 0.480 651 L N 4.773 126.079 121.223 0.138 0.000 2.240 651 L HA 0.164 4.503 4.340 -0.000 0.000 0.211 651 L C 0.429 177.436 176.870 0.229 0.000 1.106 651 L CA 0.979 55.910 54.840 0.151 0.000 0.793 651 L CB -0.165 41.979 42.059 0.142 0.000 0.927 651 L HN 0.655 nan 8.230 nan 0.000 0.446 652 Y N -0.084 120.272 120.300 0.093 0.000 2.480 652 Y HA 0.482 5.032 4.550 -0.000 0.000 0.329 652 Y C -1.231 174.739 175.900 0.116 0.000 1.127 652 Y CA -1.168 56.992 58.100 0.099 0.000 1.037 652 Y CB 1.365 39.882 38.460 0.095 0.000 1.320 652 Y HN -0.132 nan 8.280 nan 0.000 0.446 653 Q N 3.699 123.034 119.800 -0.774 0.000 2.292 653 Q HA 0.450 4.790 4.340 -0.000 0.000 0.270 653 Q C -1.273 174.283 176.000 -0.739 0.000 1.024 653 Q CA -0.579 54.900 55.803 -0.540 0.000 0.768 653 Q CB 2.029 30.650 28.738 -0.194 0.000 1.250 653 Q HN 0.653 nan 8.270 nan 0.000 0.447 654 S N 4.746 120.206 115.700 -0.400 0.000 2.533 654 S HA 0.500 4.970 4.470 -0.000 0.000 0.282 654 S C -0.610 174.021 174.600 0.051 0.000 1.304 654 S CA -0.443 57.710 58.200 -0.078 0.000 1.063 654 S CB -0.158 63.121 63.200 0.131 0.000 0.881 654 S HN 0.475 nan 8.310 nan 0.000 0.493 655 F N 2.995 122.911 119.950 -0.056 0.000 2.546 655 F HA 0.796 5.323 4.527 -0.000 0.000 0.320 655 F C -2.779 173.028 175.800 0.012 0.000 1.076 655 F CA -2.887 55.096 58.000 -0.027 0.000 0.928 655 F CB -0.118 38.858 39.000 -0.041 0.000 1.189 655 F HN 0.311 nan 8.300 nan 0.000 0.465 656 P HA 0.056 nan 4.420 nan 0.000 0.261 656 P C -0.916 176.276 177.300 -0.180 0.000 1.173 656 P CA 0.203 63.259 63.100 -0.073 0.000 0.760 656 P CB 0.389 32.119 31.700 0.050 0.000 0.783 657 Q N 1.226 120.902 119.800 -0.207 0.000 2.303 657 Q HA 0.428 4.768 4.340 -0.000 0.000 0.303 657 Q C -0.512 175.450 176.000 -0.062 0.000 0.831 657 Q CA -0.668 55.039 55.803 -0.160 0.000 1.066 657 Q CB 0.020 28.524 28.738 -0.391 0.000 1.354 657 Q HN 0.365 nan 8.270 nan 0.000 0.394 658 A N 1.137 123.945 122.820 -0.020 0.000 2.565 658 A HA 0.195 4.515 4.320 -0.000 0.000 0.237 658 A C -0.253 177.341 177.584 0.017 0.000 1.053 658 A CA 0.463 52.505 52.037 0.008 0.000 0.755 658 A CB 0.332 19.352 19.000 0.034 0.000 0.980 658 A HN 0.475 nan 8.150 nan 0.000 0.506 659 E N 0.511 120.720 120.200 0.014 0.000 2.158 659 E HA 0.432 4.782 4.350 -0.000 0.000 0.271 659 E C -0.046 176.563 176.600 0.015 0.000 0.911 659 E CA -0.828 55.582 56.400 0.017 0.000 0.767 659 E CB 0.923 30.632 29.700 0.014 0.000 1.120 659 E HN 0.565 nan 8.360 nan 0.000 0.405 660 R N 3.383 123.893 120.500 0.017 0.000 2.513 660 R HA 0.037 4.377 4.340 -0.000 0.000 0.333 660 R C -0.272 176.033 176.300 0.007 0.000 0.925 660 R CA 1.045 57.152 56.100 0.012 0.000 1.072 660 R CB -0.109 30.199 30.300 0.014 0.000 0.914 660 R HN 0.585 nan 8.270 nan 0.000 0.408 661 A N 4.338 127.157 122.820 -0.001 0.000 1.969 661 A HA 0.252 4.572 4.320 -0.000 0.000 0.205 661 A C 0.139 177.715 177.584 -0.014 0.000 1.364 661 A CA 0.629 52.661 52.037 -0.009 0.000 0.756 661 A CB 0.010 18.999 19.000 -0.019 0.000 0.988 661 A HN 0.608 nan 8.150 nan 0.000 0.490 662 V N -3.310 116.590 119.914 -0.022 0.000 2.960 662 V HA 0.644 4.764 4.120 -0.000 0.000 0.315 662 V C -3.215 172.869 176.094 -0.016 0.000 1.087 662 V CA -3.005 59.284 62.300 -0.018 0.000 0.982 662 V CB 1.144 32.940 31.823 -0.045 0.000 1.039 662 V HN 0.107 nan 8.190 nan 0.000 0.437 663 P HA 0.167 nan 4.420 nan 0.000 0.265 663 P C 0.703 177.897 177.300 -0.176 0.000 1.187 663 P CA 0.706 63.766 63.100 -0.066 0.000 0.766 663 P CB 0.784 32.483 31.700 -0.002 0.000 0.820 664 A N 3.166 125.854 122.820 -0.220 0.000 1.930 664 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 664 A C 1.918 179.347 177.584 -0.259 0.000 1.175 664 A CA 1.546 53.474 52.037 -0.180 0.000 0.627 664 A CB -0.926 17.985 19.000 -0.148 0.000 0.815 664 A HN 0.521 nan 8.150 nan 0.000 0.443 665 Q N -0.076 119.370 119.800 -0.590 0.000 2.119 665 Q HA 0.054 4.394 4.340 -0.000 0.000 0.201 665 Q C 2.251 178.050 176.000 -0.334 0.000 0.972 665 Q CA 1.739 57.120 55.803 -0.703 0.000 0.847 665 Q CB -0.585 27.131 28.738 -1.703 0.000 0.903 665 Q HN 0.646 nan 8.270 nan 0.000 0.433 666 A N 0.645 123.288 122.820 -0.295 0.000 1.872 666 A HA 0.007 4.327 4.320 -0.000 0.000 0.214 666 A C 2.285 179.872 177.584 0.005 0.000 1.187 666 A CA 1.450 53.496 52.037 0.014 0.000 0.614 666 A CB -1.032 18.037 19.000 0.116 0.000 0.826 666 A HN 0.361 nan 8.150 nan 0.000 0.442 667 A N -1.131 121.669 122.820 -0.033 0.000 1.917 667 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 667 A C 2.166 179.769 177.584 0.031 0.000 1.182 667 A CA 1.854 53.881 52.037 -0.017 0.000 0.633 667 A CB -0.957 18.030 19.000 -0.022 0.000 0.819 667 A HN 0.825 nan 8.150 nan 0.000 0.448 668 Y N 0.454 120.714 120.300 -0.067 0.000 2.181 668 Y HA -0.153 4.397 4.550 -0.000 0.000 0.288 668 Y C 1.921 177.849 175.900 0.047 0.000 1.146 668 Y CA 1.943 60.032 58.100 -0.018 0.000 1.164 668 Y CB -0.252 38.169 38.460 -0.064 0.000 0.982 668 Y HN 0.214 nan 8.280 nan 0.000 0.515 669 L N -0.713 120.554 121.223 0.073 0.000 2.141 669 L HA -0.199 4.140 4.340 -0.000 0.000 0.209 669 L C 2.288 179.179 176.870 0.035 0.000 1.094 669 L CA 1.657 56.513 54.840 0.027 0.000 0.763 669 L CB -0.846 41.280 42.059 0.112 0.000 0.908 669 L HN 0.223 nan 8.230 nan 0.000 0.437 670 T N -0.050 114.515 114.554 0.018 0.000 2.777 670 T HA -0.100 4.250 4.350 -0.000 0.000 0.266 670 T C 1.890 176.581 174.700 -0.016 0.000 1.040 670 T CA 0.822 62.926 62.100 0.008 0.000 1.141 670 T CB -0.059 68.799 68.868 -0.018 0.000 0.868 670 T HN 0.013 nan 8.240 nan 0.000 0.444 671 L N -0.255 120.938 121.223 -0.051 0.000 2.056 671 L HA 0.063 4.403 4.340 -0.000 0.000 0.207 671 L C 2.042 178.865 176.870 -0.078 0.000 1.078 671 L CA 1.268 56.069 54.840 -0.065 0.000 0.749 671 L CB -1.373 40.639 42.059 -0.079 0.000 0.901 671 L HN 0.438 nan 8.230 nan 0.000 0.433 672 W N 0.562 121.650 121.300 -0.353 0.000 2.338 672 W HA -0.258 4.402 4.660 -0.000 0.000 0.304 672 W C 2.424 178.846 176.519 -0.162 0.000 1.212 672 W CA 2.375 59.529 57.345 -0.318 0.000 1.264 672 W CB -0.191 28.989 29.460 -0.467 0.000 1.142 672 W HN 0.081 nan 8.180 nan 0.000 0.512 673 T N 0.597 115.247 114.554 0.159 0.000 2.904 673 T HA -0.187 4.162 4.350 -0.000 0.000 0.267 673 T C 1.771 176.412 174.700 -0.098 0.000 1.059 673 T CA 1.637 63.766 62.100 0.047 0.000 1.137 673 T CB -0.394 68.519 68.868 0.075 0.000 0.879 673 T HN 0.149 nan 8.240 nan 0.000 0.467 674 M N 0.926 120.478 119.600 -0.081 0.000 2.374 674 M HA -0.051 4.428 4.480 -0.000 0.000 0.264 674 M C 2.379 178.621 176.300 -0.096 0.000 1.067 674 M CA 1.227 56.481 55.300 -0.078 0.000 1.103 674 M CB -0.327 32.245 32.600 -0.045 0.000 1.402 674 M HN 0.281 nan 8.290 nan 0.000 0.444 675 Q N -0.267 119.430 119.800 -0.171 0.000 2.172 675 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 675 Q C 2.079 177.946 176.000 -0.221 0.000 0.964 675 Q CA 0.815 56.506 55.803 -0.187 0.000 0.855 675 Q CB 0.027 28.597 28.738 -0.281 0.000 0.918 675 Q HN 0.498 nan 8.270 nan 0.000 0.444 676 Q N 0.259 119.870 119.800 -0.315 0.000 2.079 676 Q HA -0.113 4.226 4.340 -0.000 0.000 0.200 676 Q C 2.377 178.306 176.000 -0.117 0.000 0.974 676 Q CA 1.351 57.004 55.803 -0.251 0.000 0.840 676 Q CB -0.838 27.744 28.738 -0.261 0.000 0.898 676 Q HN 0.374 nan 8.270 nan 0.000 0.430 677 V N -0.481 119.382 119.914 -0.085 0.000 2.469 677 V HA -0.152 3.968 4.120 -0.000 0.000 0.251 677 V C 1.962 178.072 176.094 0.028 0.000 1.064 677 V CA 1.566 63.852 62.300 -0.023 0.000 1.066 677 V CB -0.289 31.526 31.823 -0.014 0.000 0.667 677 V HN 0.141 nan 8.190 nan 0.000 0.461 678 V N -0.260 119.673 119.914 0.033 0.000 2.878 678 V HA -0.082 4.038 4.120 -0.000 0.000 0.250 678 V C 2.411 178.530 176.094 0.040 0.000 1.075 678 V CA 1.912 64.266 62.300 0.090 0.000 1.096 678 V CB 0.131 32.040 31.823 0.145 0.000 0.724 678 V HN 0.668 nan 8.190 nan 0.000 0.467 679 Q N 0.637 120.432 119.800 -0.007 0.000 2.134 679 Q HA -0.071 4.269 4.340 -0.000 0.000 0.195 679 Q C 2.226 178.215 176.000 -0.018 0.000 0.958 679 Q CA 1.290 57.082 55.803 -0.018 0.000 0.840 679 Q CB 0.221 28.931 28.738 -0.047 0.000 0.918 679 Q HN 0.708 nan 8.270 nan 0.000 0.467 680 R N -1.894 118.590 120.500 -0.027 0.000 2.521 680 R HA 0.323 4.663 4.340 -0.000 0.000 0.289 680 R C 0.859 177.156 176.300 -0.005 0.000 0.936 680 R CA 0.295 56.386 56.100 -0.015 0.000 1.089 680 R CB 0.381 30.670 30.300 -0.018 0.000 1.348 680 R HN 0.100 nan 8.270 nan 0.000 0.536 681 G N 0.885 109.682 108.800 -0.005 0.000 2.714 681 G HA2 0.088 4.048 3.960 -0.000 0.000 0.197 681 G HA3 0.088 4.048 3.960 -0.000 0.000 0.197 681 G C 0.871 175.788 174.900 0.028 0.000 1.449 681 G CA 0.366 45.471 45.100 0.007 0.000 1.065 681 G HN 0.137 nan 8.290 nan 0.000 0.575 682 T N -2.732 111.848 114.554 0.044 0.000 3.007 682 T HA 0.092 4.441 4.350 -0.000 0.000 0.270 682 T C 1.885 176.641 174.700 0.093 0.000 1.107 682 T CA 1.387 63.526 62.100 0.065 0.000 1.118 682 T CB -0.065 68.850 68.868 0.079 0.000 0.889 682 T HN 0.602 nan 8.240 nan 0.000 0.506 683 G N 1.685 110.557 108.800 0.120 0.000 3.284 683 G HA2 0.132 4.092 3.960 -0.000 0.000 0.236 683 G HA3 0.132 4.092 3.960 -0.000 0.000 0.236 683 G C 1.461 176.406 174.900 0.074 0.000 1.158 683 G CA -0.219 44.978 45.100 0.161 0.000 0.774 683 G HN 0.667 nan 8.290 nan 0.000 0.545 684 R N 0.597 121.123 120.500 0.043 0.000 2.241 684 R HA -0.149 4.191 4.340 -0.000 0.000 0.224 684 R C 2.032 178.331 176.300 -0.002 0.000 1.101 684 R CA 1.501 57.612 56.100 0.019 0.000 0.995 684 R CB -0.480 29.824 30.300 0.008 0.000 0.870 684 R HN 0.512 nan 8.270 nan 0.000 0.463 685 Q N 0.967 120.758 119.800 -0.014 0.000 2.291 685 Q HA -0.050 4.290 4.340 -0.000 0.000 0.205 685 Q C 1.872 177.846 176.000 -0.044 0.000 0.970 685 Q CA 1.176 56.956 55.803 -0.037 0.000 0.876 685 Q CB -0.156 28.555 28.738 -0.044 0.000 0.935 685 Q HN 0.435 nan 8.270 nan 0.000 0.455 686 L N 0.230 121.442 121.223 -0.019 0.000 2.270 686 L HA 0.119 4.459 4.340 -0.000 0.000 0.210 686 L C 2.316 179.230 176.870 0.074 0.000 1.104 686 L CA 0.688 55.553 54.840 0.041 0.000 0.804 686 L CB -0.363 41.726 42.059 0.051 0.000 0.937 686 L HN 0.521 nan 8.230 nan 0.000 0.450 687 G N -0.836 107.990 108.800 0.043 0.000 2.534 687 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.217 687 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.217 687 G C 1.527 176.416 174.900 -0.017 0.000 1.128 687 G CA 0.776 45.894 45.100 0.030 0.000 0.784 687 G HN 0.446 nan 8.290 nan 0.000 0.542 688 A N 0.273 123.062 122.820 -0.052 0.000 1.973 688 A HA 0.312 4.632 4.320 -0.000 0.000 0.210 688 A C 2.191 179.686 177.584 -0.149 0.000 1.200 688 A CA 0.896 52.885 52.037 -0.080 0.000 0.707 688 A CB 0.049 19.006 19.000 -0.070 0.000 0.862 688 A HN 0.232 nan 8.150 nan 0.000 0.461 689 K N -1.369 118.891 120.400 -0.233 0.000 2.103 689 K HA -0.024 4.296 4.320 -0.000 0.000 0.204 689 K C -0.405 175.785 176.600 -0.685 0.000 1.052 689 K CA 0.994 56.984 56.287 -0.494 0.000 0.945 689 K CB -0.074 32.054 32.500 -0.620 0.000 0.722 689 K HN 0.549 nan 8.250 nan 0.000 0.443 690 Y N 0.499 120.756 120.300 -0.072 0.000 2.553 690 Y HA 0.192 4.742 4.550 -0.000 0.000 0.369 690 Y C -1.902 173.934 175.900 -0.108 0.000 0.964 690 Y CA -2.396 55.652 58.100 -0.086 0.000 1.156 690 Y CB 0.639 39.050 38.460 -0.083 0.000 1.218 690 Y HN 0.051 nan 8.280 nan 0.000 0.630 691 P HA -0.142 nan 4.420 nan 0.000 0.218 691 P C 0.645 177.799 177.300 -0.244 0.000 1.149 691 P CA 1.421 64.467 63.100 -0.089 0.000 0.817 691 P CB 0.545 32.203 31.700 -0.070 0.000 0.785 692 N N -0.412 118.167 118.700 -0.201 0.000 2.515 692 N HA 0.044 4.784 4.740 -0.000 0.000 0.185 692 N C 1.630 176.911 175.510 -0.382 0.000 1.109 692 N CA 0.474 53.335 53.050 -0.315 0.000 0.903 692 N CB -0.295 38.130 38.487 -0.103 0.000 0.969 692 N HN 0.294 nan 8.380 nan 0.000 0.450 693 L N -0.449 120.631 121.223 -0.239 0.000 2.509 693 L HA 0.082 4.422 4.340 -0.000 0.000 0.222 693 L C -0.192 176.648 176.870 -0.049 0.000 1.123 693 L CA 0.106 54.886 54.840 -0.101 0.000 0.856 693 L CB -0.679 41.363 42.059 -0.027 0.000 0.985 693 L HN 0.179 nan 8.230 nan 0.000 0.456 694 H N -0.312 118.788 119.070 0.051 0.000 2.484 694 H HA -0.158 4.398 4.556 -0.000 0.000 0.321 694 H C -0.051 175.295 175.328 0.031 0.000 1.065 694 H CA -0.356 55.707 56.048 0.025 0.000 1.118 694 H CB -1.596 28.173 29.762 0.012 0.000 1.511 694 H HN 0.025 nan 8.280 nan 0.000 0.403 695 L N 0.006 121.302 121.223 0.123 0.000 2.506 695 L HA 0.283 4.622 4.340 -0.000 0.000 0.281 695 L C 1.172 178.100 176.870 0.098 0.000 1.228 695 L CA 0.673 55.594 54.840 0.136 0.000 0.850 695 L CB -0.114 42.071 42.059 0.210 0.000 1.110 695 L HN 0.510 nan 8.230 nan 0.000 0.496 696 A N 1.268 124.127 122.820 0.066 0.000 2.317 696 A HA 0.870 5.190 4.320 -0.000 0.000 0.327 696 A C 0.230 177.802 177.584 -0.020 0.000 1.178 696 A CA 0.254 52.296 52.037 0.008 0.000 0.817 696 A CB 1.442 20.431 19.000 -0.018 0.000 1.189 696 A HN 0.870 nan 8.150 nan 0.000 0.489 697 G N 0.251 109.009 108.800 -0.070 0.000 2.623 697 G HA2 0.557 4.517 3.960 -0.000 0.000 0.290 697 G HA3 0.557 4.517 3.960 -0.000 0.000 0.290 697 G C -1.722 172.988 174.900 -0.317 0.000 1.437 697 G CA -0.674 44.245 45.100 -0.301 0.000 0.798 697 G HN 0.779 nan 8.290 nan 0.000 0.488 698 K N 0.444 120.451 120.400 -0.655 0.000 2.581 698 K HA 0.621 4.941 4.320 -0.000 0.000 0.249 698 K C 0.121 176.462 176.600 -0.431 0.000 0.966 698 K CA -0.411 55.667 56.287 -0.348 0.000 0.811 698 K CB 1.355 33.788 32.500 -0.112 0.000 1.223 698 K HN 0.862 nan 8.250 nan 0.000 0.438 699 T N 0.230 114.773 114.554 -0.019 0.000 2.913 699 T HA 0.615 4.964 4.350 -0.000 0.000 0.297 699 T C 0.512 175.289 174.700 0.128 0.000 1.029 699 T CA -0.545 61.663 62.100 0.179 0.000 1.104 699 T CB 1.311 70.327 68.868 0.246 0.000 0.964 699 T HN 0.577 nan 8.240 nan 0.000 0.532 700 G N 1.733 110.661 108.800 0.212 0.000 2.626 700 G HA2 0.603 4.563 3.960 -0.000 0.000 0.304 700 G HA3 0.603 4.563 3.960 -0.000 0.000 0.304 700 G C -0.341 174.740 174.900 0.301 0.000 1.385 700 G CA -0.754 44.494 45.100 0.246 0.000 0.957 700 G HN 1.086 nan 8.290 nan 0.000 0.504 701 T N -0.986 113.708 114.554 0.233 0.000 2.916 701 T HA 0.857 5.207 4.350 -0.000 0.000 0.292 701 T C 0.059 174.881 174.700 0.202 0.000 1.064 701 T CA -0.569 61.655 62.100 0.206 0.000 1.011 701 T CB 2.121 71.082 68.868 0.156 0.000 1.152 701 T HN 0.875 nan 8.240 nan 0.000 0.510 702 T N -1.068 113.593 114.554 0.179 0.000 2.901 702 T HA 0.495 4.845 4.350 -0.000 0.000 0.293 702 T C -0.243 174.532 174.700 0.124 0.000 1.084 702 T CA -1.049 61.150 62.100 0.164 0.000 1.008 702 T CB 1.145 70.124 68.868 0.186 0.000 1.170 702 T HN 0.814 nan 8.240 nan 0.000 0.509 703 N N 1.152 119.921 118.700 0.115 0.000 2.359 703 N HA -0.076 4.663 4.740 -0.000 0.000 0.261 703 N C -0.058 175.497 175.510 0.075 0.000 1.267 703 N CA 0.433 53.539 53.050 0.093 0.000 0.864 703 N CB -0.110 38.431 38.487 0.089 0.000 1.063 703 N HN 0.732 nan 8.380 nan 0.000 0.474 704 N N 1.904 120.645 118.700 0.069 0.000 2.828 704 N HA -0.260 4.479 4.740 -0.000 0.000 0.248 704 N C -1.067 174.431 175.510 -0.021 0.000 1.044 704 N CA 1.352 54.421 53.050 0.031 0.000 0.851 704 N CB -1.704 36.797 38.487 0.023 0.000 1.136 704 N HN 0.871 nan 8.380 nan 0.000 0.572 705 N N -2.448 116.258 118.700 0.009 0.000 2.714 705 N HA -0.216 4.523 4.740 -0.000 0.000 0.253 705 N C 0.729 176.218 175.510 -0.035 0.000 1.024 705 N CA 0.531 53.567 53.050 -0.024 0.000 0.726 705 N CB -1.147 37.272 38.487 -0.113 0.000 0.908 705 N HN 0.158 nan 8.380 nan 0.000 0.542 706 V N -0.837 119.089 119.914 0.021 0.000 2.307 706 V HA -0.148 3.972 4.120 -0.000 0.000 0.245 706 V C 1.011 177.134 176.094 0.049 0.000 1.045 706 V CA 1.736 64.058 62.300 0.038 0.000 1.024 706 V CB -0.077 31.793 31.823 0.080 0.000 0.651 706 V HN 0.484 nan 8.190 nan 0.000 0.449 707 D N -0.244 120.214 120.400 0.097 0.000 2.619 707 D HA 0.555 5.195 4.640 -0.000 0.000 0.241 707 D C -0.397 175.916 176.300 0.023 0.000 1.087 707 D CA 0.107 54.160 54.000 0.089 0.000 0.851 707 D CB 2.428 43.455 40.800 0.377 0.000 1.474 707 D HN 0.400 nan 8.370 nan 0.000 0.478 708 T N -1.695 112.717 114.554 -0.237 0.000 2.909 708 T HA 0.732 5.082 4.350 -0.000 0.000 0.299 708 T C -1.292 173.325 174.700 -0.137 0.000 1.073 708 T CA -0.762 61.297 62.100 -0.068 0.000 0.999 708 T CB 1.538 70.338 68.868 -0.112 0.000 1.098 708 T HN 0.415 nan 8.240 nan 0.000 0.477 709 W N 0.882 122.214 121.300 0.053 0.000 3.213 709 W HA 0.736 5.395 4.660 -0.000 0.000 0.318 709 W C -1.626 174.959 176.519 0.109 0.000 1.248 709 W CA -1.084 56.311 57.345 0.082 0.000 1.187 709 W CB 2.002 31.515 29.460 0.088 0.000 1.403 709 W HN 0.826 nan 8.180 nan 0.000 0.556 710 F N 1.729 121.763 119.950 0.140 0.000 2.581 710 F HA 0.783 5.310 4.527 -0.000 0.000 0.311 710 F C -0.810 174.845 175.800 -0.242 0.000 1.113 710 F CA -0.946 57.015 58.000 -0.065 0.000 0.935 710 F CB 1.370 40.302 39.000 -0.112 0.000 1.232 710 F HN 0.391 nan 8.300 nan 0.000 0.445 711 A N 3.649 125.786 122.820 -1.138 0.000 2.311 711 A HA 0.744 5.064 4.320 -0.000 0.000 0.306 711 A C -0.581 176.312 177.584 -1.153 0.000 1.189 711 A CA -0.269 51.123 52.037 -1.074 0.000 0.791 711 A CB 0.634 18.689 19.000 -1.575 0.000 1.172 711 A HN 1.083 nan 8.150 nan 0.000 0.481 712 G N 1.742 110.092 108.800 -0.750 0.000 2.557 712 G HA2 0.578 4.538 3.960 -0.000 0.000 0.310 712 G HA3 0.578 4.538 3.960 -0.000 0.000 0.310 712 G C -0.803 174.007 174.900 -0.151 0.000 1.328 712 G CA -0.398 44.445 45.100 -0.429 0.000 0.945 712 G HN 0.642 nan 8.290 nan 0.000 0.494 713 I N 2.924 123.466 120.570 -0.047 0.000 2.355 713 I HA 0.287 4.457 4.170 -0.000 0.000 0.288 713 I C -0.421 175.739 176.117 0.071 0.000 0.999 713 I CA -0.821 60.481 61.300 0.003 0.000 1.163 713 I CB 1.763 39.750 38.000 -0.022 0.000 1.316 713 I HN 0.623 nan 8.210 nan 0.000 0.454 714 D N 4.430 124.884 120.400 0.089 0.000 2.595 714 D HA 0.281 4.921 4.640 -0.000 0.000 0.268 714 D C 1.394 177.731 176.300 0.061 0.000 1.181 714 D CA -0.467 53.588 54.000 0.091 0.000 1.085 714 D CB 0.489 41.351 40.800 0.103 0.000 1.186 714 D HN 0.430 nan 8.370 nan 0.000 0.621 715 G N -1.048 107.799 108.800 0.079 0.000 2.469 715 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.220 715 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.220 715 G C 1.111 176.074 174.900 0.105 0.000 1.136 715 G CA 1.254 46.414 45.100 0.101 0.000 0.759 715 G HN 0.438 nan 8.290 nan 0.000 0.562 716 S N -1.627 114.119 115.700 0.076 0.000 2.628 716 S HA 0.230 4.699 4.470 -0.000 0.000 0.246 716 S C 0.618 175.237 174.600 0.031 0.000 1.062 716 S CA 0.479 58.732 58.200 0.087 0.000 1.028 716 S CB 0.948 64.207 63.200 0.097 0.000 0.985 716 S HN 0.724 nan 8.310 nan 0.000 0.551 717 T N -0.673 113.896 114.554 0.026 0.000 2.841 717 T HA 0.754 5.104 4.350 -0.000 0.000 0.296 717 T C -1.230 173.478 174.700 0.014 0.000 1.166 717 T CA -0.703 61.412 62.100 0.025 0.000 1.007 717 T CB 1.763 70.677 68.868 0.076 0.000 1.253 717 T HN -0.153 nan 8.240 nan 0.000 0.511 718 V N 1.518 121.433 119.914 0.001 0.000 2.487 718 V HA 0.645 4.765 4.120 -0.000 0.000 0.298 718 V C -0.252 175.825 176.094 -0.027 0.000 1.028 718 V CA -0.600 61.687 62.300 -0.022 0.000 0.860 718 V CB 1.795 33.604 31.823 -0.023 0.000 0.991 718 V HN 1.159 nan 8.190 nan 0.000 0.427 719 T N 6.126 120.637 114.554 -0.072 0.000 2.809 719 T HA 0.588 4.938 4.350 -0.000 0.000 0.284 719 T C -0.513 174.073 174.700 -0.189 0.000 0.992 719 T CA -0.338 61.697 62.100 -0.109 0.000 0.957 719 T CB 1.044 69.892 68.868 -0.033 0.000 0.942 719 T HN 0.270 nan 8.240 nan 0.000 0.439 720 I N 3.322 123.828 120.570 -0.106 0.000 2.359 720 I HA 0.432 4.602 4.170 -0.000 0.000 0.294 720 I C 0.447 176.593 176.117 0.048 0.000 0.987 720 I CA -0.546 60.728 61.300 -0.043 0.000 1.225 720 I CB 1.287 39.322 38.000 0.059 0.000 1.366 720 I HN 0.558 nan 8.210 nan 0.000 0.466 721 T N 5.852 120.473 114.554 0.112 0.000 2.841 721 T HA 0.332 4.682 4.350 -0.000 0.000 0.285 721 T C -1.151 173.651 174.700 0.171 0.000 0.991 721 T CA -0.453 61.720 62.100 0.121 0.000 0.966 721 T CB 1.374 70.305 68.868 0.104 0.000 0.962 721 T HN 0.557 nan 8.240 nan 0.000 0.438 722 W N 4.234 125.410 121.300 -0.205 0.000 2.632 722 W HA 0.710 5.370 4.660 -0.000 0.000 0.328 722 W C -1.879 174.429 176.519 -0.351 0.000 1.044 722 W CA -0.649 56.361 57.345 -0.559 0.000 1.225 722 W CB 1.066 29.942 29.460 -0.972 0.000 1.396 722 W HN 0.438 nan 8.180 nan 0.000 0.499 723 V N 6.550 125.689 119.914 -1.292 0.000 2.638 723 V HA 0.962 5.081 4.120 -0.000 0.000 0.306 723 V C 0.174 175.284 176.094 -1.639 0.000 1.052 723 V CA -0.075 61.453 62.300 -1.287 0.000 0.885 723 V CB 0.914 32.378 31.823 -0.599 0.000 0.999 723 V HN 0.945 nan 8.190 nan 0.000 0.424 724 G N 4.511 112.342 108.800 -1.615 0.000 2.427 724 G HA2 0.541 4.501 3.960 -0.000 0.000 0.306 724 G HA3 0.541 4.501 3.960 -0.000 0.000 0.306 724 G C -1.750 172.931 174.900 -0.364 0.000 1.280 724 G CA -0.976 43.639 45.100 -0.808 0.000 0.837 724 G HN 0.540 nan 8.290 nan 0.000 0.482 725 R N -0.127 120.364 120.500 -0.014 0.000 2.637 725 R HA 0.418 4.758 4.340 -0.000 0.000 0.291 725 R C -0.203 176.214 176.300 0.195 0.000 0.963 725 R CA -0.886 55.258 56.100 0.072 0.000 0.901 725 R CB 2.096 32.404 30.300 0.013 0.000 1.160 725 R HN 0.394 nan 8.270 nan 0.000 0.457 726 D N 1.443 121.950 120.400 0.178 0.000 2.182 726 D HA -0.167 4.473 4.640 -0.000 0.000 0.201 726 D C 1.201 177.551 176.300 0.082 0.000 0.986 726 D CA 1.577 55.669 54.000 0.153 0.000 0.847 726 D CB -0.002 40.855 40.800 0.094 0.000 0.942 726 D HN 0.561 nan 8.370 nan 0.000 0.467 727 N N 0.130 118.864 118.700 0.056 0.000 2.461 727 N HA -0.112 4.627 4.740 -0.000 0.000 0.188 727 N C 0.038 175.573 175.510 0.042 0.000 1.134 727 N CA 0.232 53.300 53.050 0.031 0.000 0.878 727 N CB -0.329 38.166 38.487 0.014 0.000 0.972 727 N HN -0.051 nan 8.380 nan 0.000 0.456 728 N N -0.514 118.229 118.700 0.072 0.000 2.829 728 N HA -0.164 4.576 4.740 -0.000 0.000 0.250 728 N C -1.136 174.405 175.510 0.052 0.000 1.090 728 N CA 0.617 53.714 53.050 0.078 0.000 0.781 728 N CB -1.153 37.373 38.487 0.066 0.000 1.124 728 N HN 0.634 nan 8.380 nan 0.000 0.559 729 Q N 0.089 119.909 119.800 0.033 0.000 2.193 729 Q HA 0.515 4.855 4.340 -0.000 0.000 0.246 729 Q C -2.326 173.671 176.000 -0.005 0.000 0.959 729 Q CA -1.567 54.244 55.803 0.013 0.000 0.904 729 Q CB 0.823 29.562 28.738 0.003 0.000 1.238 729 Q HN 0.021 nan 8.270 nan 0.000 0.469 730 P HA -0.055 nan 4.420 nan 0.000 0.269 730 P C 0.174 177.426 177.300 -0.081 0.000 1.209 730 P CA 0.194 63.265 63.100 -0.048 0.000 0.776 730 P CB 0.617 32.287 31.700 -0.050 0.000 0.876 731 T N -1.277 113.205 114.554 -0.121 0.000 3.067 731 T HA 0.006 4.355 4.350 -0.000 0.000 0.257 731 T C 0.789 175.387 174.700 -0.169 0.000 1.105 731 T CA 0.008 62.021 62.100 -0.145 0.000 1.104 731 T CB -0.449 68.311 68.868 -0.180 0.000 0.925 731 T HN 0.355 nan 8.240 nan 0.000 0.498 732 K N 0.128 120.391 120.400 -0.227 0.000 3.606 732 K HA -0.152 4.168 4.320 -0.000 0.000 0.289 732 K C 0.379 176.762 176.600 -0.362 0.000 1.221 732 K CA 0.711 56.824 56.287 -0.291 0.000 1.028 732 K CB -2.666 29.738 32.500 -0.159 0.000 1.299 732 K HN 0.497 nan 8.250 nan 0.000 0.454 733 L N 0.924 121.980 121.223 -0.278 0.000 2.499 733 L HA 0.036 4.376 4.340 -0.000 0.000 0.281 733 L C 0.596 177.292 176.870 -0.290 0.000 1.234 733 L CA 0.213 54.929 54.840 -0.207 0.000 0.839 733 L CB -0.103 41.862 42.059 -0.157 0.000 1.104 733 L HN -0.086 nan 8.230 nan 0.000 0.500 734 Y N 0.905 121.190 120.300 -0.025 0.000 2.335 734 Y HA 0.518 5.067 4.550 -0.000 0.000 0.338 734 Y C 0.850 176.747 175.900 -0.004 0.000 0.977 734 Y CA 0.102 58.194 58.100 -0.012 0.000 1.114 734 Y CB 1.429 39.883 38.460 -0.010 0.000 1.182 734 Y HN 0.819 nan 8.280 nan 0.000 0.463 735 G N 2.105 111.090 108.800 0.308 0.000 2.591 735 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.278 735 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.278 735 G C 0.660 175.625 174.900 0.109 0.000 1.293 735 G CA 0.038 45.241 45.100 0.172 0.000 0.930 735 G HN 1.227 nan 8.290 nan 0.000 0.562 736 A N -0.727 122.158 122.820 0.108 0.000 2.291 736 A HA 0.517 4.836 4.320 -0.000 0.000 0.220 736 A C 2.276 179.890 177.584 0.050 0.000 1.262 736 A CA 1.586 53.687 52.037 0.106 0.000 0.867 736 A CB -0.409 18.701 19.000 0.184 0.000 0.888 736 A HN 1.213 nan 8.150 nan 0.000 0.487 737 S N -0.285 115.435 115.700 0.033 0.000 2.442 737 S HA -0.074 4.395 4.470 -0.000 0.000 0.236 737 S C 2.006 176.590 174.600 -0.027 0.000 1.007 737 S CA 1.135 59.335 58.200 -0.001 0.000 0.965 737 S CB -0.122 63.089 63.200 0.018 0.000 0.773 737 S HN 0.777 nan 8.310 nan 0.000 0.504 738 G N 1.377 110.152 108.800 -0.041 0.000 2.404 738 G HA2 0.007 3.967 3.960 -0.000 0.000 0.214 738 G HA3 0.007 3.967 3.960 -0.000 0.000 0.214 738 G C 1.548 176.403 174.900 -0.075 0.000 1.189 738 G CA 0.689 45.742 45.100 -0.078 0.000 0.789 738 G HN 0.552 nan 8.290 nan 0.000 0.533 739 A N 0.273 123.055 122.820 -0.062 0.000 1.969 739 A HA 0.145 4.465 4.320 -0.000 0.000 0.218 739 A C 2.421 180.014 177.584 0.015 0.000 1.169 739 A CA 1.516 53.544 52.037 -0.014 0.000 0.635 739 A CB -0.307 18.724 19.000 0.051 0.000 0.810 739 A HN 0.378 nan 8.150 nan 0.000 0.445 740 M N 0.226 119.788 119.600 -0.062 0.000 2.254 740 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 740 M C 2.433 178.685 176.300 -0.080 0.000 1.066 740 M CA 1.608 56.781 55.300 -0.212 0.000 1.123 740 M CB -0.269 32.149 32.600 -0.302 0.000 1.388 740 M HN 0.654 nan 8.290 nan 0.000 0.425 741 S N 0.382 116.055 115.700 -0.045 0.000 2.406 741 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 741 S C 1.725 176.330 174.600 0.007 0.000 1.020 741 S CA 0.596 58.782 58.200 -0.023 0.000 0.965 741 S CB -0.393 62.789 63.200 -0.029 0.000 0.798 741 S HN 0.257 nan 8.310 nan 0.000 0.488 742 I N 0.963 121.547 120.570 0.022 0.000 2.233 742 I HA -0.005 4.165 4.170 -0.000 0.000 0.243 742 I C 2.368 178.564 176.117 0.132 0.000 1.093 742 I CA 0.893 62.225 61.300 0.053 0.000 1.380 742 I CB -1.661 36.358 38.000 0.031 0.000 1.067 742 I HN 0.334 nan 8.210 nan 0.000 0.413 743 Y N 2.551 122.857 120.300 0.009 0.000 2.181 743 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 743 Y C 2.777 178.728 175.900 0.084 0.000 1.146 743 Y CA 2.225 60.361 58.100 0.061 0.000 1.164 743 Y CB -0.511 37.963 38.460 0.023 0.000 0.982 743 Y HN 0.424 nan 8.280 nan 0.000 0.515 744 Q N 0.111 119.909 119.800 -0.004 0.000 2.124 744 Q HA -0.209 4.131 4.340 -0.000 0.000 0.202 744 Q C 2.095 178.078 176.000 -0.028 0.000 0.977 744 Q CA 1.751 57.525 55.803 -0.048 0.000 0.850 744 Q CB -0.512 28.255 28.738 0.049 0.000 0.901 744 Q HN 0.451 nan 8.270 nan 0.000 0.429 745 R N -0.402 120.099 120.500 0.002 0.000 2.092 745 R HA -0.147 4.192 4.340 -0.000 0.000 0.231 745 R C 2.220 178.503 176.300 -0.029 0.000 1.119 745 R CA 1.539 57.638 56.100 -0.002 0.000 0.970 745 R CB -0.539 29.771 30.300 0.016 0.000 0.864 745 R HN 0.367 nan 8.270 nan 0.000 0.440 746 Y N 1.730 121.955 120.300 -0.125 0.000 2.128 746 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 746 Y C 1.852 177.602 175.900 -0.251 0.000 1.154 746 Y CA 1.605 59.617 58.100 -0.147 0.000 1.149 746 Y CB -0.324 38.088 38.460 -0.081 0.000 0.976 746 Y HN -0.062 nan 8.280 nan 0.000 0.505 747 L N -0.189 120.749 121.223 -0.475 0.000 2.191 747 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 747 L C 2.670 179.246 176.870 -0.491 0.000 1.103 747 L CA 1.128 55.569 54.840 -0.665 0.000 0.769 747 L CB -0.833 40.636 42.059 -0.983 0.000 0.908 747 L HN 0.377 nan 8.230 nan 0.000 0.438 748 A N -0.528 122.136 122.820 -0.259 0.000 2.016 748 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 748 A C 1.868 179.362 177.584 -0.151 0.000 1.162 748 A CA 0.932 52.906 52.037 -0.105 0.000 0.662 748 A CB -0.273 18.734 19.000 0.012 0.000 0.812 748 A HN 0.358 nan 8.150 nan 0.000 0.450 749 N N -0.140 118.432 118.700 -0.213 0.000 2.467 749 N HA 0.044 4.784 4.740 -0.000 0.000 0.184 749 N C 0.384 175.758 175.510 -0.228 0.000 1.106 749 N CA 0.800 53.739 53.050 -0.185 0.000 0.892 749 N CB 0.185 38.577 38.487 -0.158 0.000 0.969 749 N HN 0.862 nan 8.380 nan 0.000 0.454 750 Q N -2.170 117.442 119.800 -0.313 0.000 2.943 750 Q HA 0.500 4.840 4.340 -0.000 0.000 0.328 750 Q C -1.123 174.732 176.000 -0.242 0.000 0.934 750 Q CA -0.863 54.774 55.803 -0.277 0.000 0.782 750 Q CB 0.359 28.887 28.738 -0.349 0.000 1.470 750 Q HN -0.222 nan 8.270 nan 0.000 0.503 751 T N 2.172 116.612 114.554 -0.190 0.000 2.874 751 T HA 0.522 4.871 4.350 -0.000 0.000 0.321 751 T C -2.474 172.142 174.700 -0.141 0.000 1.075 751 T CA -1.143 60.870 62.100 -0.146 0.000 0.966 751 T CB 0.501 69.311 68.868 -0.096 0.000 1.001 751 T HN 0.353 nan 8.240 nan 0.000 0.476 752 P HA 0.369 nan 4.420 nan 0.000 0.276 752 P C -0.339 176.923 177.300 -0.064 0.000 1.244 752 P CA -0.497 62.519 63.100 -0.140 0.000 0.801 752 P CB 0.509 32.073 31.700 -0.228 0.000 1.006 753 T N 3.110 117.655 114.554 -0.014 0.000 2.767 753 T HA 0.368 4.717 4.350 -0.000 0.000 0.288 753 T C -2.331 172.395 174.700 0.043 0.000 0.963 753 T CA -1.311 60.803 62.100 0.024 0.000 1.019 753 T CB 0.353 69.252 68.868 0.052 0.000 0.923 753 T HN 0.250 nan 8.240 nan 0.000 0.468 754 P HA 0.098 nan 4.420 nan 0.000 0.266 754 P C -0.623 176.753 177.300 0.126 0.000 1.195 754 P CA -0.639 62.517 63.100 0.095 0.000 0.768 754 P CB 0.390 32.162 31.700 0.121 0.000 0.838 755 L N 4.366 125.680 121.223 0.151 0.000 2.295 755 L HA 0.237 4.576 4.340 -0.000 0.000 0.288 755 L C -0.418 176.549 176.870 0.162 0.000 1.079 755 L CA 0.195 55.123 54.840 0.146 0.000 0.830 755 L CB -1.014 41.120 42.059 0.126 0.000 1.200 755 L HN 0.240 nan 8.230 nan 0.000 0.438 756 N N 5.587 124.367 118.700 0.133 0.000 2.699 756 N HA 0.308 5.047 4.740 -0.000 0.000 0.232 756 N C -0.835 174.746 175.510 0.117 0.000 1.027 756 N CA -0.398 52.709 53.050 0.094 0.000 0.920 756 N CB 0.838 39.376 38.487 0.084 0.000 1.148 756 N HN 0.541 nan 8.380 nan 0.000 0.509 757 L N 2.738 124.039 121.223 0.130 0.000 2.565 757 L HA 0.105 4.445 4.340 -0.000 0.000 0.275 757 L C -0.253 176.768 176.870 0.251 0.000 1.137 757 L CA -0.188 54.779 54.840 0.212 0.000 0.915 757 L CB 0.222 42.416 42.059 0.226 0.000 1.232 757 L HN 0.248 nan 8.230 nan 0.000 0.473 758 V N 6.647 126.678 119.914 0.196 0.000 2.432 758 V HA 0.199 4.319 4.120 -0.000 0.000 0.271 758 V C -1.855 174.261 176.094 0.036 0.000 1.046 758 V CA -1.499 60.863 62.300 0.104 0.000 0.945 758 V CB 0.939 32.795 31.823 0.056 0.000 0.992 758 V HN 0.632 nan 8.190 nan 0.000 0.471 759 P HA 0.289 nan 4.420 nan 0.000 0.276 759 P C -2.271 174.789 177.300 -0.399 0.000 1.230 759 P CA -0.992 61.740 63.100 -0.612 0.000 0.776 759 P CB 0.142 31.497 31.700 -0.575 0.000 0.888 760 P HA 0.173 nan 4.420 nan 0.000 0.286 760 P C -0.364 176.776 177.300 -0.267 0.000 1.293 760 P CA -0.254 62.683 63.100 -0.271 0.000 0.770 760 P CB 0.598 32.146 31.700 -0.255 0.000 1.206 761 E N -0.352 119.733 120.200 -0.191 0.000 2.418 761 E HA 0.036 4.385 4.350 -0.000 0.000 0.261 761 E C 0.105 176.617 176.600 -0.147 0.000 1.070 761 E CA 0.656 56.972 56.400 -0.139 0.000 0.931 761 E CB -0.538 29.112 29.700 -0.084 0.000 0.954 761 E HN 0.349 nan 8.360 nan 0.000 0.439 762 D N -0.098 120.256 120.400 -0.076 0.000 3.041 762 D HA -0.162 4.478 4.640 -0.000 0.000 0.220 762 D C -0.734 175.555 176.300 -0.018 0.000 1.157 762 D CA 0.636 54.638 54.000 0.004 0.000 0.876 762 D CB -0.676 40.208 40.800 0.139 0.000 1.107 762 D HN 0.190 nan 8.370 nan 0.000 0.422 763 I N 0.489 120.974 120.570 -0.141 0.000 2.354 763 I HA 0.622 4.792 4.170 -0.000 0.000 0.292 763 I C 0.643 176.684 176.117 -0.126 0.000 0.989 763 I CA -0.791 60.409 61.300 -0.167 0.000 1.188 763 I CB 1.384 39.156 38.000 -0.382 0.000 1.342 763 I HN 0.020 nan 8.210 nan 0.000 0.457 764 A N 5.518 128.284 122.820 -0.091 0.000 2.414 764 A HA 0.611 4.931 4.320 -0.000 0.000 0.306 764 A C -0.907 176.623 177.584 -0.089 0.000 1.054 764 A CA -0.712 51.273 52.037 -0.086 0.000 0.724 764 A CB 1.160 20.108 19.000 -0.086 0.000 1.267 764 A HN 0.585 nan 8.150 nan 0.000 0.418 765 D N 2.252 122.612 120.400 -0.067 0.000 2.295 765 D HA 0.507 5.147 4.640 -0.000 0.000 0.248 765 D C -0.206 176.074 176.300 -0.032 0.000 1.154 765 D CA 0.759 54.729 54.000 -0.051 0.000 0.857 765 D CB 0.908 41.702 40.800 -0.010 0.000 1.117 765 D HN 0.477 nan 8.370 nan 0.000 0.468 766 M N 0.878 120.470 119.600 -0.013 0.000 2.530 766 M HA 0.461 4.940 4.480 -0.000 0.000 0.307 766 M C 0.496 176.879 176.300 0.139 0.000 1.161 766 M CA -1.026 54.292 55.300 0.029 0.000 0.903 766 M CB 2.518 35.062 32.600 -0.093 0.000 1.711 766 M HN 0.227 nan 8.290 nan 0.000 0.451 767 G N 1.197 110.090 108.800 0.154 0.000 2.395 767 G HA2 0.615 4.574 3.960 -0.000 0.000 0.283 767 G HA3 0.615 4.574 3.960 -0.000 0.000 0.283 767 G C -0.695 174.329 174.900 0.207 0.000 1.178 767 G CA -0.501 44.691 45.100 0.153 0.000 0.837 767 G HN 0.657 nan 8.290 nan 0.000 0.518 768 V N -0.070 119.913 119.914 0.114 0.000 2.914 768 V HA 0.706 4.825 4.120 -0.000 0.000 0.314 768 V C -0.405 175.721 176.094 0.054 0.000 1.084 768 V CA -1.217 61.098 62.300 0.025 0.000 0.963 768 V CB 1.876 33.624 31.823 -0.125 0.000 1.025 768 V HN 0.778 nan 8.190 nan 0.000 0.432 769 D N 1.430 121.864 120.400 0.057 0.000 2.447 769 D HA 0.123 4.763 4.640 -0.000 0.000 0.265 769 D C 0.994 177.393 176.300 0.164 0.000 1.250 769 D CA -0.311 53.757 54.000 0.113 0.000 1.046 769 D CB 0.400 41.266 40.800 0.111 0.000 1.095 769 D HN 0.636 nan 8.370 nan 0.000 0.555 770 Y N -0.742 119.605 120.300 0.078 0.000 2.224 770 Y HA -0.214 4.336 4.550 -0.000 0.000 0.289 770 Y C 1.746 177.765 175.900 0.199 0.000 1.146 770 Y CA 1.728 59.896 58.100 0.114 0.000 1.182 770 Y CB 0.072 38.587 38.460 0.092 0.000 0.983 770 Y HN 0.403 nan 8.280 nan 0.000 0.524 771 D N -0.399 120.100 120.400 0.166 0.000 2.384 771 D HA -0.045 4.595 4.640 -0.000 0.000 0.222 771 D C 1.670 178.185 176.300 0.359 0.000 0.976 771 D CA 1.460 55.562 54.000 0.170 0.000 0.915 771 D CB -0.442 40.427 40.800 0.115 0.000 0.896 771 D HN 0.562 nan 8.370 nan 0.000 0.523 772 G N -0.356 108.544 108.800 0.166 0.000 2.175 772 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.244 772 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.244 772 G C 0.093 174.870 174.900 -0.205 0.000 0.982 772 G CA -0.036 45.019 45.100 -0.075 0.000 0.641 772 G HN 0.320 nan 8.290 nan 0.000 0.527 773 N N 0.307 118.954 118.700 -0.088 0.000 2.518 773 N HA 0.551 5.291 4.740 -0.000 0.000 0.283 773 N C 0.275 175.678 175.510 -0.179 0.000 1.119 773 N CA -0.234 52.730 53.050 -0.143 0.000 0.983 773 N CB 0.455 38.944 38.487 0.004 0.000 1.139 773 N HN 0.049 nan 8.380 nan 0.000 0.465 774 F N 0.315 120.278 119.950 0.022 0.000 2.545 774 F HA 0.168 4.695 4.527 -0.000 0.000 0.348 774 F C 1.026 176.840 175.800 0.023 0.000 1.163 774 F CA -0.146 57.862 58.000 0.014 0.000 1.331 774 F CB 0.344 39.344 39.000 0.001 0.000 1.138 774 F HN -0.019 nan 8.300 nan 0.000 0.602 775 V N 1.599 121.657 119.914 0.240 0.000 2.876 775 V HA 0.164 4.284 4.120 -0.000 0.000 0.312 775 V C 0.157 176.317 176.094 0.110 0.000 1.085 775 V CA -0.808 61.575 62.300 0.138 0.000 0.945 775 V CB 1.998 33.885 31.823 0.106 0.000 1.017 775 V HN 1.048 nan 8.190 nan 0.000 0.428 776 C N 1.965 121.310 119.300 0.074 0.000 2.453 776 C HA 0.055 4.514 4.460 -0.000 0.000 0.277 776 C C 1.356 176.371 174.990 0.041 0.000 1.262 776 C CA 1.164 60.210 59.018 0.047 0.000 1.718 776 C CB -0.422 27.339 27.740 0.034 0.000 2.031 776 C HN 0.942 nan 8.230 nan 0.000 0.480 777 S N -1.733 113.995 115.700 0.045 0.000 2.569 777 S HA 0.642 5.112 4.470 -0.000 0.000 0.280 777 S C -0.237 174.392 174.600 0.049 0.000 1.111 777 S CA 0.464 58.688 58.200 0.042 0.000 0.887 777 S CB 1.573 64.792 63.200 0.032 0.000 1.095 777 S HN 1.605 nan 8.310 nan 0.000 0.476 778 G N 0.711 109.541 108.800 0.049 0.000 2.542 778 G HA2 0.398 4.357 3.960 -0.000 0.000 0.235 778 G HA3 0.398 4.357 3.960 -0.000 0.000 0.235 778 G C 0.619 175.559 174.900 0.067 0.000 1.286 778 G CA 0.189 45.321 45.100 0.053 0.000 0.904 778 G HN 2.897 nan 8.290 nan 0.000 0.577 779 G N -3.195 105.647 108.800 0.071 0.000 2.770 779 G HA2 0.428 4.387 3.960 -0.000 0.000 0.686 779 G HA3 0.428 4.387 3.960 -0.000 0.000 0.686 779 G C 0.244 175.193 174.900 0.082 0.000 1.180 779 G CA 0.517 45.667 45.100 0.084 0.000 0.767 779 G HN 2.330 nan 8.290 nan 0.000 0.646 780 M N 0.312 119.968 119.600 0.093 0.000 2.502 780 M HA 0.484 4.964 4.480 -0.000 0.000 0.243 780 M C 0.819 177.179 176.300 0.100 0.000 1.130 780 M CA 0.511 55.866 55.300 0.092 0.000 1.055 780 M CB 0.359 33.019 32.600 0.100 0.000 1.457 780 M HN 0.567 nan 8.290 nan 0.000 0.488 781 R N 0.578 121.139 120.500 0.102 0.000 2.584 781 R HA 0.702 5.042 4.340 -0.000 0.000 0.276 781 R C -1.953 174.410 176.300 0.106 0.000 1.046 781 R CA -0.460 55.704 56.100 0.107 0.000 0.906 781 R CB 1.806 32.168 30.300 0.103 0.000 1.215 781 R HN 0.336 nan 8.270 nan 0.000 0.449 782 I N 5.910 126.555 120.570 0.125 0.000 2.389 782 I HA 0.377 4.546 4.170 -0.000 0.000 0.288 782 I C -0.712 175.462 176.117 0.096 0.000 0.999 782 I CA -0.775 60.592 61.300 0.111 0.000 1.129 782 I CB 1.692 39.759 38.000 0.113 0.000 1.288 782 I HN 0.372 nan 8.210 nan 0.000 0.444 783 L N 7.855 129.090 121.223 0.021 0.000 2.386 783 L HA 0.556 4.896 4.340 -0.000 0.000 0.271 783 L C -2.456 174.279 176.870 -0.225 0.000 0.993 783 L CA -2.023 52.721 54.840 -0.161 0.000 0.819 783 L CB 2.426 44.446 42.059 -0.065 0.000 1.294 783 L HN 0.284 nan 8.230 nan 0.000 0.414 784 P HA 0.159 nan 4.420 nan 0.000 0.271 784 P C -0.984 176.222 177.300 -0.157 0.000 1.216 784 P CA -0.168 62.745 63.100 -0.313 0.000 0.776 784 P CB 1.445 32.899 31.700 -0.410 0.000 0.881 785 V N 3.670 123.544 119.914 -0.067 0.000 2.623 785 V HA 0.183 4.302 4.120 -0.000 0.000 0.304 785 V C -0.739 175.403 176.094 0.080 0.000 1.054 785 V CA -0.636 61.667 62.300 0.005 0.000 0.882 785 V CB 2.128 33.893 31.823 -0.097 0.000 1.002 785 V HN 0.604 nan 8.190 nan 0.000 0.424 786 W N 5.737 127.001 121.300 -0.060 0.000 2.659 786 W HA 0.556 5.216 4.660 -0.000 0.000 0.342 786 W C -0.268 176.206 176.519 -0.075 0.000 1.287 786 W CA 0.024 57.334 57.345 -0.057 0.000 1.460 786 W CB -0.158 29.291 29.460 -0.017 0.000 1.503 786 W HN 0.661 nan 8.180 nan 0.000 0.483 787 T N 2.564 117.259 114.554 0.236 0.000 3.047 787 T HA 0.111 4.461 4.350 -0.000 0.000 0.340 787 T C 0.483 175.217 174.700 0.057 0.000 1.421 787 T CA -0.446 61.680 62.100 0.043 0.000 1.090 787 T CB 1.326 70.155 68.868 -0.065 0.000 1.292 787 T HN 0.188 nan 8.240 nan 0.000 0.480 788 S N -0.222 115.491 115.700 0.021 0.000 2.556 788 S HA 0.305 4.775 4.470 -0.000 0.000 0.216 788 S C 0.142 174.728 174.600 -0.022 0.000 0.970 788 S CA -0.028 58.179 58.200 0.012 0.000 0.912 788 S CB -0.064 63.148 63.200 0.019 0.000 0.790 788 S HN 0.720 nan 8.310 nan 0.000 0.504 789 D N 0.939 121.312 120.400 -0.045 0.000 2.752 789 D HA 0.300 4.939 4.640 -0.000 0.000 0.242 789 D C -2.798 173.451 176.300 -0.085 0.000 1.295 789 D CA -1.574 52.392 54.000 -0.056 0.000 0.846 789 D CB 1.021 41.792 40.800 -0.049 0.000 1.454 789 D HN -0.128 nan 8.370 nan 0.000 0.535 790 P HA -0.118 nan 4.420 nan 0.000 0.245 790 P C 0.600 177.815 177.300 -0.142 0.000 1.203 790 P CA 0.713 63.719 63.100 -0.155 0.000 0.754 790 P CB 0.131 31.750 31.700 -0.134 0.000 0.896 791 Q N -1.080 118.663 119.800 -0.094 0.000 2.291 791 Q HA 0.048 4.387 4.340 -0.000 0.000 0.211 791 Q C 1.852 177.813 176.000 -0.065 0.000 0.925 791 Q CA 0.214 55.977 55.803 -0.067 0.000 0.949 791 Q CB -1.134 27.579 28.738 -0.041 0.000 1.015 791 Q HN 0.183 nan 8.270 nan 0.000 0.477 792 S N -0.259 115.375 115.700 -0.111 0.000 2.462 792 S HA -0.169 4.301 4.470 -0.000 0.000 0.243 792 S C 1.390 175.960 174.600 -0.049 0.000 1.003 792 S CA 1.312 59.446 58.200 -0.110 0.000 0.970 792 S CB 0.016 63.072 63.200 -0.240 0.000 0.762 792 S HN 0.515 nan 8.310 nan 0.000 0.510 793 L N -0.645 120.542 121.223 -0.058 0.000 2.298 793 L HA 0.391 4.731 4.340 -0.000 0.000 0.209 793 L C 2.458 179.359 176.870 0.051 0.000 1.084 793 L CA 0.567 55.433 54.840 0.043 0.000 0.816 793 L CB -1.476 40.605 42.059 0.037 0.000 0.967 793 L HN 0.215 nan 8.230 nan 0.000 0.460 794 C N 0.188 119.500 119.300 0.019 0.000 2.419 794 C HA -0.130 4.330 4.460 -0.000 0.000 0.281 794 C C 2.894 177.901 174.990 0.029 0.000 1.336 794 C CA 1.257 60.288 59.018 0.021 0.000 1.770 794 C CB -0.959 26.785 27.740 0.007 0.000 1.929 794 C HN 0.730 nan 8.230 nan 0.000 0.509 795 Q N 0.729 120.548 119.800 0.030 0.000 2.062 795 Q HA -0.230 4.110 4.340 -0.000 0.000 0.196 795 Q C 2.285 178.319 176.000 0.056 0.000 0.967 795 Q CA 1.641 57.464 55.803 0.035 0.000 0.832 795 Q CB -0.234 28.520 28.738 0.027 0.000 0.899 795 Q HN 0.686 nan 8.270 nan 0.000 0.442 796 Q N 0.335 120.190 119.800 0.092 0.000 2.030 796 Q HA -0.148 4.191 4.340 -0.000 0.000 0.204 796 Q C 2.099 178.147 176.000 0.079 0.000 0.986 796 Q CA 2.480 58.349 55.803 0.111 0.000 0.843 796 Q CB -0.288 28.570 28.738 0.200 0.000 0.904 796 Q HN 0.338 nan 8.270 nan 0.000 0.420 797 S N 0.837 116.584 115.700 0.078 0.000 2.407 797 S HA -0.250 4.220 4.470 -0.000 0.000 0.235 797 S C 1.354 175.980 174.600 0.043 0.000 1.036 797 S CA 1.617 59.852 58.200 0.059 0.000 1.013 797 S CB -0.499 62.733 63.200 0.053 0.000 0.820 797 S HN 0.708 nan 8.310 nan 0.000 0.476 798 E N 1.914 122.137 120.200 0.038 0.000 2.463 798 E HA -0.015 4.335 4.350 -0.000 0.000 0.191 798 E C 1.697 178.312 176.600 0.025 0.000 1.083 798 E CA 0.139 56.556 56.400 0.028 0.000 0.872 798 E CB -0.458 29.255 29.700 0.022 0.000 0.966 798 E HN 0.742 nan 8.360 nan 0.000 0.491 799 M N 0.151 119.769 119.600 0.029 0.000 2.084 799 M HA -0.181 4.298 4.480 -0.000 0.000 0.259 799 M C 0.679 176.991 176.300 0.020 0.000 1.072 799 M CA 1.204 56.519 55.300 0.025 0.000 1.107 799 M CB -1.053 31.564 32.600 0.029 0.000 1.299 799 M HN 0.031 nan 8.290 nan 0.000 0.413 800 Q N 0.000 119.814 119.800 0.023 0.000 2.315 800 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 800 Q CA 0.000 55.815 55.803 0.019 0.000 1.022 800 Q CB 0.000 28.749 28.738 0.018 0.000 1.108 800 Q HN 0.000 nan 8.270 nan 0.000 0.481