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 1c8h_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVNGNM ALDDIHAQIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSEX XXXPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNIYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTNYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGNP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHVNA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNEYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPSNI GGMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 37 G C 0.000 174.924 174.900 0.040 0.000 0.946 37 G CA 0.000 45.121 45.100 0.036 0.000 0.502 38 V N 1.557 121.493 119.914 0.036 0.000 2.214 38 V HA -0.050 4.070 4.120 -0.001 0.000 0.247 38 V C 2.644 178.761 176.094 0.039 0.000 1.051 38 V CA 2.885 65.208 62.300 0.038 0.000 1.003 38 V CB -0.561 31.281 31.823 0.031 0.000 0.635 38 V HN 1.158 nan 8.190 nan 0.000 0.447 39 G N 0.150 108.970 108.800 0.033 0.000 3.375 39 G HA2 0.237 4.196 3.960 -0.001 0.000 0.247 39 G HA3 0.237 4.196 3.960 -0.001 0.000 0.247 39 G C 0.048 174.967 174.900 0.032 0.000 1.343 39 G CA 0.009 45.128 45.100 0.032 0.000 1.368 39 G HN 0.294 nan 8.290 nan 0.000 0.549 40 I N 0.189 120.782 120.570 0.037 0.000 2.533 40 I HA 0.293 4.462 4.170 -0.001 0.000 0.290 40 I C -0.126 176.020 176.117 0.048 0.000 1.056 40 I CA -0.859 60.464 61.300 0.037 0.000 1.057 40 I CB 1.756 39.777 38.000 0.035 0.000 1.240 40 I HN -0.168 nan 8.210 nan 0.000 0.423 41 S N 2.973 118.699 115.700 0.044 0.000 2.565 41 S HA 0.317 4.787 4.470 -0.001 0.000 0.274 41 S C 0.904 175.553 174.600 0.082 0.000 1.309 41 S CA -0.331 57.906 58.200 0.061 0.000 1.043 41 S CB 0.866 64.089 63.200 0.037 0.000 0.939 41 S HN 0.743 nan 8.310 nan 0.000 0.504 42 T N -0.636 114.005 114.554 0.144 0.000 3.215 42 T HA 0.583 4.933 4.350 -0.001 0.000 0.271 42 T C 0.434 175.240 174.700 0.176 0.000 1.012 42 T CA -0.071 62.118 62.100 0.148 0.000 0.899 42 T CB -0.122 68.842 68.868 0.160 0.000 1.089 42 T HN 0.752 nan 8.240 nan 0.000 0.552 43 G N -0.185 108.707 108.800 0.155 0.000 2.430 43 G HA2 0.510 4.470 3.960 -0.001 0.000 0.300 43 G HA3 0.510 4.470 3.960 -0.001 0.000 0.300 43 G C -1.689 172.995 174.900 -0.359 0.000 1.330 43 G CA -0.686 44.231 45.100 -0.305 0.000 0.813 43 G HN 0.141 nan 8.290 nan 0.000 0.487 44 T N 0.765 114.862 114.554 -0.762 0.000 2.949 44 T HA 0.429 4.779 4.350 -0.001 0.000 0.300 44 T C -0.967 173.653 174.700 -0.134 0.000 0.988 44 T CA -0.267 61.672 62.100 -0.269 0.000 0.993 44 T CB 1.086 69.851 68.868 -0.171 0.000 0.984 44 T HN 0.640 nan 8.240 nan 0.000 0.442 45 F N 4.691 124.666 119.950 0.042 0.000 2.578 45 F HA 0.444 4.970 4.527 -0.001 0.000 0.381 45 F C 0.355 176.214 175.800 0.099 0.000 1.069 45 F CA 0.099 58.212 58.000 0.189 0.000 1.231 45 F CB 0.334 39.417 39.000 0.140 0.000 1.086 45 F HN 0.454 nan 8.300 nan 0.000 0.564 46 N N 4.768 123.180 118.700 -0.480 0.000 2.503 46 N HA 0.193 4.933 4.740 -0.001 0.000 0.287 46 N C -2.097 173.176 175.510 -0.396 0.000 1.096 46 N CA -0.618 52.266 53.050 -0.277 0.000 0.936 46 N CB 1.082 39.495 38.487 -0.123 0.000 1.570 46 N HN 0.644 nan 8.380 nan 0.000 0.504 47 N N 1.944 120.517 118.700 -0.213 0.000 2.791 47 N HA 0.228 4.968 4.740 -0.001 0.000 0.265 47 N C -1.689 173.879 175.510 0.097 0.000 1.580 47 N CA -0.165 52.842 53.050 -0.071 0.000 0.809 47 N CB 0.585 39.087 38.487 0.024 0.000 1.178 47 N HN 0.535 nan 8.380 nan 0.000 0.499 48 Q N 0.496 120.348 119.800 0.088 0.000 2.304 48 Q HA 0.447 4.786 4.340 -0.001 0.000 0.270 48 Q C -0.989 175.100 176.000 0.149 0.000 1.035 48 Q CA -0.545 55.340 55.803 0.137 0.000 0.781 48 Q CB 1.420 30.228 28.738 0.115 0.000 1.261 48 Q HN 0.208 nan 8.270 nan 0.000 0.444 49 T N 2.791 117.467 114.554 0.203 0.000 2.918 49 T HA 0.412 4.761 4.350 -0.001 0.000 0.283 49 T C -1.080 173.741 174.700 0.203 0.000 1.001 49 T CA -0.360 61.872 62.100 0.219 0.000 1.041 49 T CB 0.772 69.844 68.868 0.340 0.000 1.028 49 T HN 0.556 nan 8.240 nan 0.000 0.511 50 E N 1.010 121.281 120.200 0.118 0.000 2.294 50 E HA 0.308 4.658 4.350 -0.001 0.000 0.272 50 E C -1.503 175.098 176.600 0.002 0.000 0.896 50 E CA -0.431 56.047 56.400 0.129 0.000 0.802 50 E CB 1.116 30.863 29.700 0.079 0.000 1.267 50 E HN 0.343 nan 8.360 nan 0.000 0.406 51 F N 2.514 122.436 119.950 -0.047 0.000 2.411 51 F HA 0.293 4.820 4.527 -0.001 0.000 0.355 51 F C 0.611 176.215 175.800 -0.326 0.000 1.117 51 F CA -0.588 57.251 58.000 -0.267 0.000 1.139 51 F CB 1.167 39.942 39.000 -0.375 0.000 1.120 51 F HN 0.197 nan 8.300 nan 0.000 0.493 52 K N 5.938 126.196 120.400 -0.237 0.000 2.473 52 K HA 0.362 4.681 4.320 -0.001 0.000 0.246 52 K C -1.316 175.190 176.600 -0.158 0.000 1.011 52 K CA -0.435 55.791 56.287 -0.103 0.000 0.984 52 K CB 0.213 32.695 32.500 -0.030 0.000 1.250 52 K HN 0.375 nan 8.250 nan 0.000 0.454 53 F N 4.706 124.723 119.950 0.110 0.000 2.538 53 F HA 0.168 4.694 4.527 -0.001 0.000 0.371 53 F C 0.547 176.395 175.800 0.079 0.000 1.087 53 F CA -0.170 57.887 58.000 0.095 0.000 1.250 53 F CB 0.377 39.419 39.000 0.070 0.000 1.110 53 F HN 0.229 nan 8.300 nan 0.000 0.570 54 L N 1.147 122.504 121.223 0.223 0.000 2.343 54 L HA 0.495 4.835 4.340 -0.001 0.000 0.264 54 L C 0.008 176.977 176.870 0.165 0.000 1.050 54 L CA -1.421 53.515 54.840 0.160 0.000 0.956 54 L CB 0.531 42.659 42.059 0.115 0.000 1.576 54 L HN 0.290 nan 8.230 nan 0.000 0.521 55 E N 1.715 121.991 120.200 0.126 0.000 2.344 55 E HA 0.075 4.425 4.350 -0.001 0.000 0.270 55 E C -0.553 176.144 176.600 0.162 0.000 1.021 55 E CA 0.157 56.626 56.400 0.116 0.000 0.887 55 E CB 0.427 30.173 29.700 0.077 0.000 0.997 55 E HN 0.524 nan 8.360 nan 0.000 0.429 56 N N 1.429 120.215 118.700 0.143 0.000 2.937 56 N HA -0.144 4.595 4.740 -0.001 0.000 0.248 56 N C 0.170 175.770 175.510 0.150 0.000 1.069 56 N CA 1.020 54.164 53.050 0.157 0.000 0.822 56 N CB -1.483 37.138 38.487 0.222 0.000 1.122 56 N HN 0.845 nan 8.380 nan 0.000 0.554 57 G N -0.084 108.802 108.800 0.143 0.000 2.392 57 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.256 57 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.256 57 G C -0.425 174.501 174.900 0.043 0.000 0.920 57 G CA 0.407 45.567 45.100 0.100 0.000 1.316 57 G HN 0.421 nan 8.290 nan 0.000 0.416 58 W N 2.264 123.595 121.300 0.052 0.000 2.527 58 W HA 0.441 5.101 4.660 -0.001 0.000 0.293 58 W C 0.262 176.766 176.519 -0.024 0.000 1.036 58 W CA -1.032 56.309 57.345 -0.006 0.000 1.233 58 W CB 1.219 30.660 29.460 -0.031 0.000 1.116 58 W HN 0.417 nan 8.180 nan 0.000 0.335 59 V N 2.116 122.121 119.914 0.152 0.000 3.185 59 V HA 0.130 4.249 4.120 -0.001 0.000 0.305 59 V C 0.350 176.424 176.094 -0.034 0.000 1.090 59 V CA -0.215 62.047 62.300 -0.063 0.000 1.107 59 V CB 1.661 33.333 31.823 -0.251 0.000 1.061 59 V HN 0.444 nan 8.190 nan 0.000 0.480 60 E N 2.599 122.717 120.200 -0.136 0.000 2.489 60 E HA 0.346 4.695 4.350 -0.001 0.000 0.232 60 E C -0.900 175.587 176.600 -0.188 0.000 0.990 60 E CA -0.500 55.843 56.400 -0.095 0.000 0.768 60 E CB 0.622 30.290 29.700 -0.054 0.000 1.270 60 E HN 0.644 nan 8.360 nan 0.000 0.423 61 I N 3.361 123.771 120.570 -0.267 0.000 2.517 61 I HA 0.064 4.234 4.170 -0.001 0.000 0.285 61 I C 0.034 176.063 176.117 -0.147 0.000 1.106 61 I CA 0.279 61.293 61.300 -0.477 0.000 1.402 61 I CB 0.869 38.491 38.000 -0.630 0.000 1.399 61 I HN 0.322 nan 8.210 nan 0.000 0.535 62 T N 6.427 120.908 114.554 -0.121 0.000 3.042 62 T HA 0.485 4.834 4.350 -0.001 0.000 0.356 62 T C 0.183 174.936 174.700 0.088 0.000 1.233 62 T CA -0.511 61.599 62.100 0.017 0.000 1.038 62 T CB 0.791 69.662 68.868 0.005 0.000 1.089 62 T HN 0.679 nan 8.240 nan 0.000 0.531 63 A N 4.255 127.180 122.820 0.176 0.000 2.320 63 A HA 0.559 4.878 4.320 -0.001 0.000 0.287 63 A C 0.249 178.021 177.584 0.313 0.000 1.181 63 A CA -0.689 51.483 52.037 0.225 0.000 0.831 63 A CB 0.284 19.354 19.000 0.117 0.000 1.102 63 A HN 0.692 nan 8.150 nan 0.000 0.513 64 N N 1.113 119.952 118.700 0.232 0.000 2.399 64 N HA 0.464 5.204 4.740 -0.001 0.000 0.295 64 N C -1.075 174.473 175.510 0.063 0.000 1.048 64 N CA -0.086 53.065 53.050 0.169 0.000 0.886 64 N CB 1.939 40.455 38.487 0.049 0.000 1.185 64 N HN 0.543 nan 8.380 nan 0.000 0.487 65 S N 0.508 116.160 115.700 -0.081 0.000 2.538 65 S HA 0.639 5.109 4.470 -0.001 0.000 0.288 65 S C -1.177 173.235 174.600 -0.312 0.000 1.108 65 S CA -0.459 57.599 58.200 -0.237 0.000 0.971 65 S CB 0.786 63.712 63.200 -0.456 0.000 1.041 65 S HN 0.425 nan 8.310 nan 0.000 0.483 66 S N 3.637 119.209 115.700 -0.213 0.000 2.541 66 S HA 0.760 5.229 4.470 -0.001 0.000 0.280 66 S C -1.021 173.742 174.600 0.271 0.000 1.112 66 S CA -0.956 57.169 58.200 -0.125 0.000 0.925 66 S CB 1.485 64.262 63.200 -0.704 0.000 1.067 66 S HN 0.694 nan 8.310 nan 0.000 0.479 67 R N 0.783 121.614 120.500 0.552 0.000 2.781 67 R HA 0.422 4.762 4.340 -0.001 0.000 0.269 67 R C -1.611 174.818 176.300 0.214 0.000 1.025 67 R CA -0.920 55.440 56.100 0.432 0.000 0.914 67 R CB 1.362 31.853 30.300 0.318 0.000 1.236 67 R HN 0.520 nan 8.270 nan 0.000 0.465 68 L N 1.703 122.823 121.223 -0.173 0.000 2.701 68 L HA 0.301 4.641 4.340 -0.001 0.000 0.237 68 L C -0.755 175.839 176.870 -0.460 0.000 1.204 68 L CA -0.451 53.968 54.840 -0.701 0.000 1.109 68 L CB 0.474 41.869 42.059 -1.106 0.000 1.409 68 L HN 0.287 nan 8.230 nan 0.000 0.428 69 V N 2.600 122.308 119.914 -0.343 0.000 2.752 69 V HA -0.085 4.034 4.120 -0.001 0.000 0.306 69 V C 0.230 175.951 176.094 -0.621 0.000 1.099 69 V CA 0.498 62.520 62.300 -0.463 0.000 1.240 69 V CB -0.328 31.175 31.823 -0.532 0.000 0.887 69 V HN 0.834 nan 8.190 nan 0.000 0.499 70 H N 4.709 123.484 119.070 -0.491 0.000 2.524 70 H HA 0.748 5.304 4.556 -0.001 0.000 0.353 70 H C -0.996 174.149 175.328 -0.304 0.000 1.136 70 H CA -0.919 54.903 56.048 -0.377 0.000 1.193 70 H CB 1.620 31.223 29.762 -0.264 0.000 1.558 70 H HN 0.551 nan 8.280 nan 0.000 0.515 71 L N 4.887 125.646 121.223 -0.773 0.000 2.505 71 L HA 0.435 4.775 4.340 -0.001 0.000 0.266 71 L C -1.711 174.973 176.870 -0.310 0.000 0.954 71 L CA -0.517 54.075 54.840 -0.413 0.000 0.852 71 L CB 1.750 43.670 42.059 -0.232 0.000 1.282 71 L HN 0.747 nan 8.230 nan 0.000 0.403 72 N N 4.277 122.881 118.700 -0.160 0.000 2.447 72 N HA 0.559 5.299 4.740 -0.001 0.000 0.271 72 N C -0.503 174.984 175.510 -0.039 0.000 1.226 72 N CA -0.558 52.462 53.050 -0.050 0.000 0.980 72 N CB 1.184 39.669 38.487 -0.002 0.000 1.206 72 N HN 0.775 nan 8.380 nan 0.000 0.558 73 M N 0.110 119.700 119.600 -0.018 0.000 2.211 73 M HA 0.427 4.906 4.480 -0.001 0.000 0.356 73 M C -2.199 174.075 176.300 -0.042 0.000 1.216 73 M CA -1.492 53.783 55.300 -0.042 0.000 1.134 73 M CB 0.202 32.785 32.600 -0.028 0.000 1.564 73 M HN 0.186 nan 8.290 nan 0.000 0.463 74 P HA -0.079 nan 4.420 nan 0.000 0.266 74 P C -0.229 177.048 177.300 -0.038 0.000 1.186 74 P CA 0.262 63.325 63.100 -0.061 0.000 0.767 74 P CB 0.302 31.942 31.700 -0.101 0.000 0.820 75 E N 1.090 121.272 120.200 -0.029 0.000 2.153 75 E HA -0.090 4.260 4.350 -0.001 0.000 0.194 75 E C 0.570 177.159 176.600 -0.018 0.000 0.988 75 E CA 0.861 57.248 56.400 -0.021 0.000 0.811 75 E CB -0.359 29.328 29.700 -0.022 0.000 0.746 75 E HN 0.503 nan 8.360 nan 0.000 0.466 76 S N -1.119 114.567 115.700 -0.024 0.000 2.535 76 S HA 0.252 4.721 4.470 -0.001 0.000 0.272 76 S C -0.173 174.415 174.600 -0.019 0.000 1.149 76 S CA -0.991 57.202 58.200 -0.011 0.000 0.888 76 S CB 1.539 64.737 63.200 -0.004 0.000 1.110 76 S HN -0.005 nan 8.310 nan 0.000 0.463 77 E N 1.700 121.900 120.200 0.001 0.000 2.485 77 E HA 0.121 4.471 4.350 -0.001 0.000 0.194 77 E C -0.257 176.375 176.600 0.054 0.000 1.098 77 E CA 0.247 56.649 56.400 0.002 0.000 0.878 77 E CB -0.463 29.252 29.700 0.025 0.000 0.939 77 E HN 0.606 nan 8.360 nan 0.000 0.503 78 N N -0.433 118.301 118.700 0.057 0.000 2.459 78 N HA 0.255 4.995 4.740 -0.001 0.000 0.288 78 N C -1.016 174.564 175.510 0.117 0.000 1.186 78 N CA -0.588 52.545 53.050 0.138 0.000 0.917 78 N CB 0.828 39.386 38.487 0.117 0.000 1.219 78 N HN -0.116 nan 8.380 nan 0.000 0.525 79 Y N 0.629 121.029 120.300 0.167 0.000 2.320 79 Y HA 0.446 4.995 4.550 -0.001 0.000 0.334 79 Y C -0.008 175.926 175.900 0.057 0.000 1.055 79 Y CA -0.230 57.991 58.100 0.201 0.000 1.143 79 Y CB 1.014 39.732 38.460 0.429 0.000 1.193 79 Y HN 0.252 nan 8.280 nan 0.000 0.477 80 R N 1.643 122.201 120.500 0.097 0.000 2.807 80 R HA 0.595 4.934 4.340 -0.001 0.000 0.276 80 R C -1.025 175.197 176.300 -0.129 0.000 0.979 80 R CA -1.102 54.974 56.100 -0.040 0.000 0.928 80 R CB 1.925 32.185 30.300 -0.066 0.000 1.191 80 R HN 0.557 nan 8.270 nan 0.000 0.471 81 R N 1.673 122.034 120.500 -0.231 0.000 2.387 81 R HA 0.609 4.948 4.340 -0.001 0.000 0.314 81 R C -1.303 174.816 176.300 -0.302 0.000 0.958 81 R CA -0.515 55.371 56.100 -0.357 0.000 0.846 81 R CB 1.227 31.202 30.300 -0.542 0.000 1.147 81 R HN 0.404 nan 8.270 nan 0.000 0.447 82 V N 4.310 124.046 119.914 -0.296 0.000 2.914 82 V HA 0.479 4.598 4.120 -0.001 0.000 0.314 82 V C -0.794 175.097 176.094 -0.339 0.000 1.084 82 V CA -0.833 61.301 62.300 -0.275 0.000 0.963 82 V CB 2.416 34.100 31.823 -0.231 0.000 1.025 82 V HN 0.515 nan 8.190 nan 0.000 0.432 83 V N 3.396 123.088 119.914 -0.371 0.000 2.448 83 V HA 0.459 4.579 4.120 -0.001 0.000 0.295 83 V C -0.327 175.447 176.094 -0.534 0.000 1.025 83 V CA -0.567 61.429 62.300 -0.506 0.000 0.859 83 V CB 2.059 33.541 31.823 -0.569 0.000 0.988 83 V HN 0.597 nan 8.190 nan 0.000 0.431 84 V N 5.287 124.778 119.914 -0.705 0.000 2.465 84 V HA 0.484 4.603 4.120 -0.001 0.000 0.279 84 V C 0.035 175.860 176.094 -0.449 0.000 1.045 84 V CA -0.359 61.605 62.300 -0.561 0.000 0.938 84 V CB 1.605 33.010 31.823 -0.697 0.000 0.986 84 V HN 0.879 nan 8.190 nan 0.000 0.467 85 N N 4.108 122.626 118.700 -0.302 0.000 2.371 85 N HA 0.334 5.073 4.740 -0.001 0.000 0.291 85 N C -0.886 174.545 175.510 -0.133 0.000 1.053 85 N CA -0.432 52.481 53.050 -0.228 0.000 0.870 85 N CB 2.036 40.370 38.487 -0.255 0.000 1.503 85 N HN 0.751 nan 8.380 nan 0.000 0.485 86 N N 4.161 122.813 118.700 -0.080 0.000 2.588 86 N HA 0.077 4.816 4.740 -0.001 0.000 0.298 86 N C 0.693 176.188 175.510 -0.024 0.000 1.718 86 N CA -0.299 52.723 53.050 -0.046 0.000 0.888 86 N CB 0.064 38.534 38.487 -0.028 0.000 1.389 86 N HN 0.344 nan 8.380 nan 0.000 0.491 87 M N 1.962 121.546 119.600 -0.026 0.000 2.706 87 M HA -0.293 4.187 4.480 -0.001 0.000 0.266 87 M C 1.644 177.937 176.300 -0.010 0.000 1.060 87 M CA 2.514 57.808 55.300 -0.009 0.000 1.070 87 M CB -0.512 32.080 32.600 -0.014 0.000 1.241 87 M HN 0.455 nan 8.290 nan 0.000 0.488 88 D N -0.756 119.632 120.400 -0.019 0.000 2.565 88 D HA -0.339 4.300 4.640 -0.001 0.000 0.189 88 D C 1.810 178.101 176.300 -0.015 0.000 1.052 88 D CA 2.470 56.459 54.000 -0.019 0.000 0.889 88 D CB -0.706 40.080 40.800 -0.024 0.000 0.911 88 D HN 0.364 nan 8.370 nan 0.000 0.464 89 K N 0.709 121.101 120.400 -0.013 0.000 1.984 89 K HA -0.091 4.229 4.320 -0.001 0.000 0.209 89 K C 2.409 179.004 176.600 -0.007 0.000 1.046 89 K CA 2.577 58.859 56.287 -0.010 0.000 0.934 89 K CB -0.917 31.579 32.500 -0.005 0.000 0.717 89 K HN 0.372 nan 8.250 nan 0.000 0.438 90 T N -2.030 112.524 114.554 -0.000 0.000 3.072 90 T HA 0.107 4.457 4.350 -0.001 0.000 0.266 90 T C 1.642 176.338 174.700 -0.007 0.000 1.127 90 T CA 0.718 62.818 62.100 0.001 0.000 1.107 90 T CB -0.243 68.637 68.868 0.020 0.000 0.910 90 T HN 0.174 nan 8.240 nan 0.000 0.513 91 A N 0.802 123.618 122.820 -0.008 0.000 2.235 91 A HA 0.382 4.701 4.320 -0.001 0.000 0.208 91 A C 2.164 179.737 177.584 -0.020 0.000 1.172 91 A CA 0.200 52.230 52.037 -0.013 0.000 0.786 91 A CB -0.666 18.327 19.000 -0.012 0.000 0.804 91 A HN 0.436 nan 8.150 nan 0.000 0.479 92 V N -0.154 119.747 119.914 -0.021 0.000 2.809 92 V HA -0.095 4.025 4.120 -0.001 0.000 0.256 92 V C 0.157 176.233 176.094 -0.030 0.000 1.080 92 V CA 1.029 63.315 62.300 -0.023 0.000 1.102 92 V CB -1.531 30.279 31.823 -0.021 0.000 0.705 92 V HN 0.823 nan 8.190 nan 0.000 0.475 93 N N -0.686 117.990 118.700 -0.040 0.000 3.779 93 N HA 0.021 4.760 4.740 -0.001 0.000 0.279 93 N C 0.426 175.905 175.510 -0.051 0.000 2.052 93 N CA 0.962 53.976 53.050 -0.060 0.000 2.429 93 N CB -1.052 37.396 38.487 -0.065 0.000 0.554 93 N HN 0.720 nan 8.380 nan 0.000 0.551 94 G N 0.900 109.663 108.800 -0.061 0.000 2.171 94 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.238 94 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.238 94 G C 0.291 175.160 174.900 -0.052 0.000 1.039 94 G CA 0.324 45.401 45.100 -0.038 0.000 0.759 94 G HN 0.723 nan 8.290 nan 0.000 0.501 95 N N -1.104 117.559 118.700 -0.062 0.000 2.167 95 N HA 0.241 4.980 4.740 -0.001 0.000 0.234 95 N C 1.932 177.403 175.510 -0.065 0.000 1.312 95 N CA 0.485 53.500 53.050 -0.057 0.000 0.861 95 N CB 0.091 38.557 38.487 -0.035 0.000 1.217 95 N HN 0.274 nan 8.380 nan 0.000 0.504 96 M N 0.098 119.643 119.600 -0.091 0.000 2.108 96 M HA -0.077 4.402 4.480 -0.001 0.000 0.257 96 M C 2.091 178.338 176.300 -0.089 0.000 1.071 96 M CA 1.807 57.055 55.300 -0.086 0.000 1.093 96 M CB -0.894 31.633 32.600 -0.120 0.000 1.345 96 M HN 0.152 nan 8.290 nan 0.000 0.403 97 A N 0.391 123.100 122.820 -0.185 0.000 2.024 97 A HA -0.059 4.260 4.320 -0.001 0.000 0.220 97 A C 1.971 179.589 177.584 0.057 0.000 1.164 97 A CA 1.228 53.201 52.037 -0.107 0.000 0.643 97 A CB -1.093 17.805 19.000 -0.168 0.000 0.806 97 A HN 0.544 nan 8.150 nan 0.000 0.451 98 L N 0.642 121.878 121.223 0.022 0.000 2.777 98 L HA 0.074 4.413 4.340 -0.001 0.000 0.244 98 L C 0.035 176.941 176.870 0.061 0.000 1.235 98 L CA -0.466 54.401 54.840 0.045 0.000 1.062 98 L CB -0.903 41.167 42.059 0.018 0.000 1.340 98 L HN 0.244 nan 8.230 nan 0.000 0.439 99 D N 0.171 120.626 120.400 0.090 0.000 2.382 99 D HA 0.037 4.676 4.640 -0.001 0.000 0.245 99 D C 0.296 176.677 176.300 0.134 0.000 1.120 99 D CA 0.363 54.430 54.000 0.112 0.000 0.890 99 D CB 1.053 41.941 40.800 0.146 0.000 1.201 99 D HN -0.010 nan 8.370 nan 0.000 0.433 100 D N 2.313 122.785 120.400 0.120 0.000 2.538 100 D HA 0.149 4.788 4.640 -0.001 0.000 0.241 100 D C 0.217 176.599 176.300 0.137 0.000 1.297 100 D CA -0.253 53.830 54.000 0.137 0.000 0.804 100 D CB 0.317 41.169 40.800 0.086 0.000 1.122 100 D HN 0.414 nan 8.370 nan 0.000 0.519 101 I N 2.442 123.074 120.570 0.103 0.000 2.813 101 I HA 0.062 4.231 4.170 -0.001 0.000 0.287 101 I C 0.593 176.663 176.117 -0.079 0.000 1.196 101 I CA 0.787 62.073 61.300 -0.023 0.000 1.421 101 I CB 0.388 38.443 38.000 0.091 0.000 1.365 101 I HN 0.177 nan 8.210 nan 0.000 0.591 102 H N 3.291 121.981 119.070 -0.633 0.000 2.882 102 H HA 0.546 5.101 4.556 -0.001 0.000 0.258 102 H C -2.156 172.587 175.328 -0.974 0.000 1.435 102 H CA -1.096 54.101 56.048 -1.419 0.000 1.190 102 H CB 0.722 30.018 29.762 -0.776 0.000 1.800 102 H HN 0.615 nan 8.280 nan 0.000 0.452 103 A N 1.076 123.478 122.820 -0.697 0.000 2.413 103 A HA 0.667 4.987 4.320 -0.001 0.000 0.307 103 A C -0.905 176.726 177.584 0.078 0.000 1.087 103 A CA -0.318 51.566 52.037 -0.256 0.000 0.750 103 A CB 2.150 21.132 19.000 -0.030 0.000 1.296 103 A HN 0.859 nan 8.150 nan 0.000 0.423 104 Q N 0.861 120.614 119.800 -0.079 0.000 2.353 104 Q HA 0.577 4.917 4.340 -0.001 0.000 0.275 104 Q C -1.729 174.119 176.000 -0.253 0.000 1.029 104 Q CA -0.875 54.863 55.803 -0.108 0.000 0.848 104 Q CB 1.378 30.039 28.738 -0.129 0.000 1.390 104 Q HN 0.414 nan 8.270 nan 0.000 0.401 105 I N 2.629 122.959 120.570 -0.401 0.000 2.312 105 I HA 0.162 4.332 4.170 -0.001 0.000 0.291 105 I C -0.250 175.652 176.117 -0.358 0.000 1.031 105 I CA -0.814 60.247 61.300 -0.397 0.000 1.293 105 I CB 1.489 39.136 38.000 -0.587 0.000 1.403 105 I HN 0.582 nan 8.210 nan 0.000 0.484 106 V N 6.769 126.586 119.914 -0.161 0.000 2.174 106 V HA 0.087 4.206 4.120 -0.001 0.000 0.259 106 V C 0.962 177.028 176.094 -0.047 0.000 1.261 106 V CA -0.672 61.560 62.300 -0.112 0.000 1.137 106 V CB -0.161 31.601 31.823 -0.101 0.000 1.290 106 V HN 0.881 nan 8.190 nan 0.000 0.486 107 T N 2.051 116.609 114.554 0.007 0.000 2.903 107 T HA 0.150 4.500 4.350 -0.001 0.000 0.314 107 T C -1.041 173.634 174.700 -0.041 0.000 1.078 107 T CA -1.052 60.999 62.100 -0.082 0.000 1.114 107 T CB 1.130 70.218 68.868 0.367 0.000 0.987 107 T HN 0.464 nan 8.240 nan 0.000 0.548 108 P HA 0.158 nan 4.420 nan 0.000 0.255 108 P C -0.730 176.528 177.300 -0.070 0.000 1.301 108 P CA -0.189 62.840 63.100 -0.117 0.000 0.817 108 P CB -0.074 31.502 31.700 -0.207 0.000 1.259 109 W N 0.372 121.679 121.300 0.011 0.000 2.449 109 W HA 0.392 5.051 4.660 -0.001 0.000 0.331 109 W C 0.690 177.311 176.519 0.171 0.000 1.119 109 W CA -0.095 57.299 57.345 0.081 0.000 1.240 109 W CB 1.010 30.491 29.460 0.035 0.000 1.251 109 W HN -0.264 nan 8.180 nan 0.000 0.576 110 S N 1.887 117.806 115.700 0.365 0.000 2.672 110 S HA 0.652 5.121 4.470 -0.001 0.000 0.276 110 S C -1.255 173.564 174.600 0.365 0.000 1.207 110 S CA -0.633 57.746 58.200 0.297 0.000 1.002 110 S CB 0.860 64.162 63.200 0.171 0.000 0.998 110 S HN 0.349 nan 8.310 nan 0.000 0.542 111 L N 2.440 123.824 121.223 0.268 0.000 2.376 111 L HA 0.604 4.943 4.340 -0.001 0.000 0.275 111 L C -1.251 175.634 176.870 0.024 0.000 0.987 111 L CA -0.479 54.449 54.840 0.147 0.000 0.828 111 L CB 1.311 43.474 42.059 0.173 0.000 1.249 111 L HN 0.357 nan 8.230 nan 0.000 0.409 112 V N 5.074 124.959 119.914 -0.048 0.000 2.356 112 V HA 0.316 4.435 4.120 -0.001 0.000 0.258 112 V C -0.212 175.789 176.094 -0.155 0.000 1.065 112 V CA -0.285 61.951 62.300 -0.107 0.000 0.935 112 V CB 0.531 32.300 31.823 -0.091 0.000 1.061 112 V HN 0.801 nan 8.190 nan 0.000 0.484 113 D N 4.789 125.099 120.400 -0.151 0.000 2.344 113 D HA 0.500 5.139 4.640 -0.001 0.000 0.239 113 D C 0.190 176.402 176.300 -0.147 0.000 1.064 113 D CA -0.485 53.446 54.000 -0.115 0.000 0.829 113 D CB 2.305 43.045 40.800 -0.099 0.000 1.129 113 D HN 0.500 nan 8.370 nan 0.000 0.506 114 A N 4.118 126.899 122.820 -0.065 0.000 2.574 114 A HA 0.069 4.388 4.320 -0.001 0.000 0.283 114 A C 0.651 178.276 177.584 0.068 0.000 1.270 114 A CA -0.550 51.452 52.037 -0.058 0.000 0.945 114 A CB -0.255 18.745 19.000 0.001 0.000 1.127 114 A HN 0.518 nan 8.150 nan 0.000 0.522 115 N N 2.042 120.666 118.700 -0.127 0.000 2.739 115 N HA 0.431 5.170 4.740 -0.001 0.000 0.266 115 N C -0.658 174.685 175.510 -0.278 0.000 1.168 115 N CA 0.839 53.637 53.050 -0.420 0.000 1.055 115 N CB 0.100 38.177 38.487 -0.683 0.000 1.393 115 N HN 0.467 nan 8.380 nan 0.000 0.514 116 A N 2.602 125.330 122.820 -0.153 0.000 2.573 116 A HA 0.178 4.497 4.320 -0.001 0.000 0.299 116 A C 0.047 177.579 177.584 -0.087 0.000 1.060 116 A CA -0.833 51.124 52.037 -0.134 0.000 0.736 116 A CB -0.250 18.765 19.000 0.025 0.000 1.280 116 A HN 0.531 nan 8.150 nan 0.000 0.401 117 W N 1.867 123.165 121.300 -0.003 0.000 2.325 117 W HA -0.062 4.598 4.660 -0.001 0.000 0.299 117 W C 2.148 178.545 176.519 -0.204 0.000 1.215 117 W CA 1.788 59.180 57.345 0.079 0.000 1.244 117 W CB 0.155 29.603 29.460 -0.021 0.000 1.140 117 W HN 0.931 nan 8.180 nan 0.000 0.523 118 G N -0.202 108.205 108.800 -0.654 0.000 2.708 118 G HA2 -0.084 3.876 3.960 -0.001 0.000 0.210 118 G HA3 -0.084 3.876 3.960 -0.001 0.000 0.210 118 G C 1.036 175.158 174.900 -1.297 0.000 1.141 118 G CA 1.073 45.212 45.100 -1.601 0.000 0.788 118 G HN 0.231 nan 8.290 nan 0.000 0.531 119 V N -2.015 117.523 119.914 -0.626 0.000 3.431 119 V HA 0.132 4.252 4.120 -0.001 0.000 0.253 119 V C 1.785 177.536 176.094 -0.572 0.000 1.184 119 V CA 0.452 62.458 62.300 -0.490 0.000 1.104 119 V CB -0.362 31.160 31.823 -0.502 0.000 0.799 119 V HN 0.551 nan 8.190 nan 0.000 0.462 120 W N -1.226 119.967 121.300 -0.179 0.000 2.915 120 W HA 0.466 5.126 4.660 -0.001 0.000 0.276 120 W C 0.249 176.426 176.519 -0.571 0.000 1.215 120 W CA -0.360 56.751 57.345 -0.390 0.000 1.514 120 W CB 0.322 29.422 29.460 -0.600 0.000 1.017 120 W HN 0.033 nan 8.180 nan 0.000 0.598 121 F N 1.998 122.228 119.950 0.466 0.000 2.540 121 F HA 0.297 4.823 4.527 -0.001 0.000 0.317 121 F C 0.380 176.399 175.800 0.365 0.000 1.104 121 F CA -1.789 56.461 58.000 0.417 0.000 0.913 121 F CB 0.590 39.898 39.000 0.513 0.000 1.170 121 F HN -0.270 nan 8.300 nan 0.000 0.450 122 N N 2.439 121.409 118.700 0.450 0.000 2.364 122 N HA 0.407 5.147 4.740 -0.001 0.000 0.264 122 N C -2.403 173.290 175.510 0.306 0.000 1.263 122 N CA -2.017 51.249 53.050 0.359 0.000 0.959 122 N CB -0.033 38.636 38.487 0.303 0.000 1.204 122 N HN 0.162 nan 8.380 nan 0.000 0.550 123 P HA 0.021 nan 4.420 nan 0.000 0.217 123 P C 1.352 178.636 177.300 -0.027 0.000 1.150 123 P CA 1.804 64.941 63.100 0.062 0.000 0.832 123 P CB -0.216 31.558 31.700 0.124 0.000 0.787 124 G N 0.419 109.237 108.800 0.029 0.000 2.469 124 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 124 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 124 G C 1.126 176.020 174.900 -0.010 0.000 1.150 124 G CA 1.176 46.270 45.100 -0.009 0.000 0.763 124 G HN 0.230 nan 8.290 nan 0.000 0.561 125 D N -0.747 119.711 120.400 0.096 0.000 2.194 125 D HA -0.078 4.562 4.640 -0.001 0.000 0.204 125 D C 1.943 178.197 176.300 -0.077 0.000 0.964 125 D CA 0.147 54.216 54.000 0.114 0.000 0.846 125 D CB -0.365 40.668 40.800 0.389 0.000 0.962 125 D HN 0.526 nan 8.370 nan 0.000 0.490 126 W N 2.308 123.444 121.300 -0.273 0.000 2.392 126 W HA -0.139 4.520 4.660 -0.001 0.000 0.279 126 W C 1.958 178.238 176.519 -0.398 0.000 1.225 126 W CA 0.979 58.024 57.345 -0.500 0.000 1.233 126 W CB 0.137 29.036 29.460 -0.935 0.000 1.122 126 W HN 0.063 nan 8.180 nan 0.000 0.561 127 Q N 0.267 119.889 119.800 -0.297 0.000 2.230 127 Q HA -0.205 4.135 4.340 -0.001 0.000 0.202 127 Q C 2.261 178.055 176.000 -0.344 0.000 0.963 127 Q CA 1.130 56.751 55.803 -0.303 0.000 0.866 127 Q CB -0.239 28.364 28.738 -0.225 0.000 0.931 127 Q HN 0.241 nan 8.270 nan 0.000 0.452 128 L N 0.687 121.711 121.223 -0.332 0.000 2.007 128 L HA -0.097 4.243 4.340 -0.001 0.000 0.205 128 L C 2.057 178.715 176.870 -0.353 0.000 1.073 128 L CA 1.598 56.237 54.840 -0.335 0.000 0.744 128 L CB -0.537 41.275 42.059 -0.412 0.000 0.898 128 L HN 0.280 nan 8.230 nan 0.000 0.435 129 I N -1.359 118.968 120.570 -0.405 0.000 2.248 129 I HA -0.311 3.858 4.170 -0.001 0.000 0.248 129 I C 2.321 178.090 176.117 -0.580 0.000 1.107 129 I CA 1.167 62.182 61.300 -0.476 0.000 1.373 129 I CB -0.400 37.120 38.000 -0.800 0.000 1.055 129 I HN 0.126 nan 8.210 nan 0.000 0.418 130 V N 0.720 120.196 119.914 -0.729 0.000 2.649 130 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 130 V C 1.941 177.829 176.094 -0.343 0.000 1.054 130 V CA 1.583 63.529 62.300 -0.590 0.000 1.073 130 V CB -0.511 30.907 31.823 -0.675 0.000 0.699 130 V HN 0.410 nan 8.190 nan 0.000 0.463 131 N N -0.017 118.503 118.700 -0.301 0.000 2.336 131 N HA -0.076 4.663 4.740 -0.001 0.000 0.177 131 N C 1.986 177.389 175.510 -0.178 0.000 1.018 131 N CA 1.724 54.647 53.050 -0.212 0.000 0.878 131 N CB -0.157 38.212 38.487 -0.196 0.000 0.997 131 N HN 0.634 nan 8.380 nan 0.000 0.433 132 T N -2.720 111.724 114.554 -0.185 0.000 3.040 132 T HA 0.288 4.638 4.350 -0.001 0.000 0.252 132 T C 0.961 175.585 174.700 -0.127 0.000 1.064 132 T CA 0.101 62.116 62.100 -0.141 0.000 1.110 132 T CB 0.378 69.175 68.868 -0.118 0.000 0.921 132 T HN -0.145 nan 8.240 nan 0.000 0.480 133 M N 1.600 121.110 119.600 -0.150 0.000 2.336 133 M HA 0.504 4.983 4.480 -0.001 0.000 0.256 133 M C 1.429 177.650 176.300 -0.131 0.000 1.176 133 M CA -0.104 55.112 55.300 -0.141 0.000 0.948 133 M CB 1.880 34.396 32.600 -0.140 0.000 1.393 133 M HN 0.236 nan 8.290 nan 0.000 0.528 134 S N -2.104 113.525 115.700 -0.119 0.000 2.769 134 S HA 0.243 4.713 4.470 -0.001 0.000 0.258 134 S C -0.309 174.277 174.600 -0.024 0.000 1.080 134 S CA -0.408 57.748 58.200 -0.073 0.000 0.943 134 S CB 0.145 63.301 63.200 -0.072 0.000 0.893 134 S HN 0.739 nan 8.310 nan 0.000 0.490 135 E N 0.314 120.509 120.200 -0.007 0.000 2.343 135 E HA 0.699 5.048 4.350 -0.001 0.000 0.278 135 E C -1.871 174.886 176.600 0.263 0.000 0.910 135 E CA -1.036 55.449 56.400 0.141 0.000 0.757 135 E CB 1.493 31.323 29.700 0.217 0.000 1.218 135 E HN 0.169 nan 8.360 nan 0.000 0.435 136 L N 2.161 123.634 121.223 0.416 0.000 2.342 136 L HA 0.499 4.838 4.340 -0.001 0.000 0.271 136 L C -1.122 176.239 176.870 0.819 0.000 1.008 136 L CA -0.381 54.785 54.840 0.543 0.000 0.818 136 L CB 1.720 44.082 42.059 0.505 0.000 1.296 136 L HN 0.661 nan 8.230 nan 0.000 0.427 137 H N 3.888 123.177 119.070 0.363 0.000 2.689 137 H HA 0.338 4.894 4.556 -0.001 0.000 0.346 137 H C -1.128 174.150 175.328 -0.084 0.000 1.037 137 H CA -1.186 54.967 56.048 0.175 0.000 1.234 137 H CB 2.287 32.147 29.762 0.163 0.000 1.572 137 H HN 0.338 nan 8.280 nan 0.000 0.524 138 L N 3.249 124.195 121.223 -0.463 0.000 2.426 138 L HA 0.010 4.349 4.340 -0.001 0.000 0.271 138 L C 0.201 176.882 176.870 -0.314 0.000 1.169 138 L CA 0.450 54.823 54.840 -0.780 0.000 0.836 138 L CB 0.958 42.198 42.059 -1.366 0.000 1.112 138 L HN 0.560 nan 8.230 nan 0.000 0.465 139 V N 1.662 121.428 119.914 -0.247 0.000 3.054 139 V HA 0.322 4.441 4.120 -0.001 0.000 0.227 139 V C 0.567 176.620 176.094 -0.070 0.000 1.252 139 V CA 0.931 63.189 62.300 -0.071 0.000 1.279 139 V CB 0.611 32.389 31.823 -0.076 0.000 1.118 139 V HN 0.884 nan 8.190 nan 0.000 0.504 140 S N -1.077 114.520 115.700 -0.171 0.000 2.998 140 S HA 0.824 5.294 4.470 -0.001 0.000 0.323 140 S C -1.530 173.003 174.600 -0.113 0.000 1.141 140 S CA -0.525 57.461 58.200 -0.358 0.000 0.873 140 S CB 2.715 65.492 63.200 -0.705 0.000 1.315 140 S HN 0.615 nan 8.310 nan 0.000 0.637 141 F N 1.254 120.964 119.950 -0.400 0.000 2.701 141 F HA 0.348 4.875 4.527 -0.001 0.000 0.310 141 F C -2.021 173.645 175.800 -0.222 0.000 0.975 141 F CA -0.656 57.163 58.000 -0.301 0.000 1.118 141 F CB 0.361 39.151 39.000 -0.350 0.000 1.399 141 F HN 0.958 nan 8.300 nan 0.000 0.662 142 E N 5.534 125.501 120.200 -0.389 0.000 2.343 142 E HA 0.727 5.076 4.350 -0.001 0.000 0.270 142 E C -1.747 174.621 176.600 -0.387 0.000 0.895 142 E CA -1.137 54.981 56.400 -0.470 0.000 0.767 142 E CB 3.183 32.721 29.700 -0.269 0.000 1.248 142 E HN 0.599 nan 8.360 nan 0.000 0.440 143 Q N 0.817 120.413 119.800 -0.340 0.000 2.391 143 Q HA 0.478 4.818 4.340 -0.001 0.000 0.279 143 Q C -1.501 174.450 176.000 -0.081 0.000 1.028 143 Q CA -1.010 54.685 55.803 -0.181 0.000 0.836 143 Q CB 2.446 31.198 28.738 0.025 0.000 1.414 143 Q HN 0.721 nan 8.270 nan 0.000 0.397 144 E N 1.482 121.647 120.200 -0.059 0.000 2.416 144 E HA 0.707 5.056 4.350 -0.001 0.000 0.273 144 E C -1.235 175.514 176.600 0.249 0.000 0.935 144 E CA -1.100 55.358 56.400 0.097 0.000 0.784 144 E CB 2.168 31.868 29.700 0.001 0.000 1.301 144 E HN 0.560 nan 8.360 nan 0.000 0.454 145 I N 2.512 123.279 120.570 0.329 0.000 2.411 145 I HA 0.379 4.549 4.170 -0.001 0.000 0.284 145 I C -1.231 175.078 176.117 0.320 0.000 1.012 145 I CA -0.839 60.610 61.300 0.248 0.000 1.119 145 I CB 0.539 38.495 38.000 -0.073 0.000 1.261 145 I HN 0.490 nan 8.210 nan 0.000 0.448 146 F N 4.018 124.080 119.950 0.187 0.000 2.598 146 F HA 0.603 5.130 4.527 -0.001 0.000 0.327 146 F C 0.359 176.328 175.800 0.281 0.000 1.057 146 F CA -1.808 56.296 58.000 0.174 0.000 0.957 146 F CB 0.602 39.665 39.000 0.105 0.000 1.278 146 F HN 0.412 nan 8.300 nan 0.000 0.484 147 N N -0.526 118.276 118.700 0.170 0.000 2.758 147 N HA -0.142 4.597 4.740 -0.001 0.000 0.248 147 N C -0.944 174.698 175.510 0.221 0.000 1.076 147 N CA 0.619 53.752 53.050 0.138 0.000 0.696 147 N CB -1.319 37.161 38.487 -0.011 0.000 0.979 147 N HN 0.553 nan 8.380 nan 0.000 0.550 148 V N 0.025 120.051 119.914 0.187 0.000 2.872 148 V HA 0.294 4.413 4.120 -0.001 0.000 0.307 148 V C 0.939 177.124 176.094 0.151 0.000 1.072 148 V CA 0.128 62.549 62.300 0.201 0.000 1.148 148 V CB 1.414 33.319 31.823 0.136 0.000 0.954 148 V HN 0.056 nan 8.190 nan 0.000 0.490 149 V N 5.234 125.227 119.914 0.130 0.000 2.851 149 V HA 0.481 4.601 4.120 -0.001 0.000 0.307 149 V C -1.038 175.042 176.094 -0.025 0.000 1.129 149 V CA -0.589 61.744 62.300 0.055 0.000 0.932 149 V CB 1.963 33.825 31.823 0.065 0.000 1.024 149 V HN 0.588 nan 8.190 nan 0.000 0.426 150 L N 4.654 125.832 121.223 -0.075 0.000 2.362 150 L HA 0.684 5.024 4.340 -0.001 0.000 0.275 150 L C -0.124 176.596 176.870 -0.250 0.000 0.998 150 L CA -0.154 54.583 54.840 -0.172 0.000 0.820 150 L CB 1.925 43.922 42.059 -0.103 0.000 1.270 150 L HN 0.569 nan 8.230 nan 0.000 0.415 151 K N 0.345 120.444 120.400 -0.501 0.000 2.378 151 K HA 0.920 5.239 4.320 -0.001 0.000 0.244 151 K C -0.911 175.496 176.600 -0.322 0.000 1.039 151 K CA -0.918 55.100 56.287 -0.449 0.000 0.863 151 K CB 2.490 34.616 32.500 -0.622 0.000 1.326 151 K HN 0.665 nan 8.250 nan 0.000 0.460 152 T N -2.268 112.251 114.554 -0.058 0.000 2.971 152 T HA 0.443 4.792 4.350 -0.001 0.000 0.304 152 T C -0.553 174.260 174.700 0.189 0.000 1.038 152 T CA -0.837 61.303 62.100 0.066 0.000 1.007 152 T CB 1.050 69.930 68.868 0.020 0.000 1.055 152 T HN 0.151 nan 8.240 nan 0.000 0.451 153 V N 2.806 122.860 119.914 0.233 0.000 2.686 153 V HA 0.735 4.854 4.120 -0.001 0.000 0.295 153 V C 0.240 176.340 176.094 0.010 0.000 1.057 153 V CA -0.527 61.867 62.300 0.156 0.000 1.012 153 V CB 1.366 33.333 31.823 0.241 0.000 1.006 153 V HN 1.159 nan 8.190 nan 0.000 0.477 154 S N 1.981 117.622 115.700 -0.099 0.000 2.564 154 S HA 0.511 4.981 4.470 -0.001 0.000 0.274 154 S C -0.779 173.757 174.600 -0.107 0.000 1.124 154 S CA -0.964 57.190 58.200 -0.078 0.000 0.869 154 S CB 2.068 65.231 63.200 -0.062 0.000 1.105 154 S HN 0.701 nan 8.310 nan 0.000 0.472 161 P HA -0.050 nan 4.420 nan 0.000 0.223 161 P C 0.450 177.731 177.300 -0.032 0.000 1.140 161 P CA 1.792 64.877 63.100 -0.024 0.000 0.783 161 P CB -0.378 31.311 31.700 -0.017 0.000 0.759 162 T N -2.592 111.936 114.554 -0.043 0.000 2.753 162 T HA 0.376 4.726 4.350 -0.001 0.000 0.297 162 T C -0.105 174.533 174.700 -0.103 0.000 0.981 162 T CA -0.918 61.148 62.100 -0.057 0.000 0.956 162 T CB 0.659 69.499 68.868 -0.046 0.000 0.936 162 T HN -0.110 nan 8.240 nan 0.000 0.463 163 K N 2.058 122.366 120.400 -0.153 0.000 2.118 163 K HA 0.611 4.930 4.320 -0.001 0.000 0.264 163 K C -0.107 176.231 176.600 -0.437 0.000 1.000 163 K CA -0.953 55.157 56.287 -0.295 0.000 0.929 163 K CB 1.570 33.852 32.500 -0.364 0.000 1.021 163 K HN 0.678 nan 8.250 nan 0.000 0.463 164 V N -0.336 119.286 119.914 -0.486 0.000 2.638 164 V HA 0.472 4.591 4.120 -0.001 0.000 0.306 164 V C -1.621 174.217 176.094 -0.426 0.000 1.052 164 V CA -0.967 61.101 62.300 -0.386 0.000 0.885 164 V CB 0.856 32.588 31.823 -0.152 0.000 0.999 164 V HN 0.564 nan 8.190 nan 0.000 0.424 165 Y N 3.315 123.656 120.300 0.067 0.000 2.335 165 Y HA 0.723 5.273 4.550 -0.001 0.000 0.338 165 Y C 0.165 176.097 175.900 0.054 0.000 0.977 165 Y CA -0.763 57.393 58.100 0.093 0.000 1.114 165 Y CB 1.703 40.259 38.460 0.160 0.000 1.182 165 Y HN 0.869 nan 8.280 nan 0.000 0.463 166 N N 1.837 120.631 118.700 0.156 0.000 2.225 166 N HA 0.320 5.060 4.740 -0.001 0.000 0.298 166 N C -1.479 174.055 175.510 0.040 0.000 1.076 166 N CA -1.189 51.911 53.050 0.082 0.000 0.792 166 N CB 1.083 39.597 38.487 0.046 0.000 1.498 166 N HN 0.443 nan 8.380 nan 0.000 0.474 167 N N 0.820 119.535 118.700 0.026 0.000 2.395 167 N HA -0.040 4.699 4.740 -0.001 0.000 0.246 167 N C -0.946 174.558 175.510 -0.010 0.000 1.246 167 N CA 0.668 53.715 53.050 -0.005 0.000 0.879 167 N CB 0.649 39.141 38.487 0.008 0.000 1.098 167 N HN 0.622 nan 8.380 nan 0.000 0.444 168 D N 2.448 122.831 120.400 -0.029 0.000 2.412 168 D HA 0.152 4.791 4.640 -0.001 0.000 0.276 168 D C 1.024 177.313 176.300 -0.019 0.000 1.196 168 D CA -0.361 53.625 54.000 -0.023 0.000 0.905 168 D CB 0.334 41.111 40.800 -0.037 0.000 1.081 168 D HN 0.380 nan 8.370 nan 0.000 0.502 169 L N 1.484 122.704 121.223 -0.005 0.000 2.450 169 L HA -0.108 4.232 4.340 -0.001 0.000 0.224 169 L C 2.102 178.974 176.870 0.004 0.000 1.149 169 L CA 1.233 56.074 54.840 0.002 0.000 0.816 169 L CB -0.431 41.635 42.059 0.010 0.000 0.932 169 L HN 0.354 nan 8.230 nan 0.000 0.449 170 T N -3.799 110.754 114.554 -0.002 0.000 3.060 170 T HA 0.342 4.692 4.350 -0.001 0.000 0.249 170 T C 0.924 175.620 174.700 -0.006 0.000 1.079 170 T CA 0.176 62.276 62.100 -0.000 0.000 1.013 170 T CB 0.148 69.016 68.868 -0.001 0.000 0.975 170 T HN 0.171 nan 8.240 nan 0.000 0.518 171 A N 1.523 124.335 122.820 -0.014 0.000 2.386 171 A HA 0.617 4.937 4.320 -0.001 0.000 0.246 171 A C 0.240 177.816 177.584 -0.012 0.000 1.089 171 A CA -0.467 51.557 52.037 -0.022 0.000 0.790 171 A CB 0.186 19.164 19.000 -0.037 0.000 1.042 171 A HN 0.475 nan 8.150 nan 0.000 0.497 172 S N -0.517 115.174 115.700 -0.016 0.000 2.547 172 S HA 0.511 4.980 4.470 -0.001 0.000 0.281 172 S C -0.960 173.634 174.600 -0.010 0.000 1.118 172 S CA -0.535 57.663 58.200 -0.003 0.000 0.947 172 S CB 1.454 64.656 63.200 0.004 0.000 1.053 172 S HN 0.967 nan 8.310 nan 0.000 0.482 173 L N 3.003 124.230 121.223 0.008 0.000 2.275 173 L HA 0.637 4.977 4.340 -0.001 0.000 0.288 173 L C -0.777 176.095 176.870 0.003 0.000 1.046 173 L CA -0.218 54.626 54.840 0.007 0.000 0.805 173 L CB 0.546 42.632 42.059 0.046 0.000 1.193 173 L HN 0.715 nan 8.230 nan 0.000 0.426 174 M N 5.257 124.846 119.600 -0.018 0.000 2.144 174 M HA 0.477 4.957 4.480 -0.001 0.000 0.356 174 M C -0.880 175.500 176.300 0.133 0.000 1.217 174 M CA -0.363 54.968 55.300 0.050 0.000 1.087 174 M CB 1.550 34.152 32.600 0.004 0.000 1.609 174 M HN 0.413 nan 8.290 nan 0.000 0.467 175 V N 2.711 122.694 119.914 0.114 0.000 2.604 175 V HA 0.908 5.027 4.120 -0.001 0.000 0.305 175 V C -0.532 175.576 176.094 0.023 0.000 1.043 175 V CA -0.710 61.571 62.300 -0.031 0.000 0.888 175 V CB 1.798 33.357 31.823 -0.440 0.000 0.995 175 V HN 0.925 nan 8.190 nan 0.000 0.429 176 A N 4.306 127.128 122.820 0.003 0.000 2.486 176 A HA 0.877 5.197 4.320 -0.001 0.000 0.300 176 A C -1.593 175.961 177.584 -0.050 0.000 1.048 176 A CA -0.490 51.533 52.037 -0.023 0.000 0.696 176 A CB 1.747 20.626 19.000 -0.201 0.000 1.278 176 A HN 0.932 nan 8.150 nan 0.000 0.405 177 L N 2.264 123.485 121.223 -0.002 0.000 2.462 177 L HA 0.448 4.788 4.340 -0.001 0.000 0.255 177 L C -0.423 176.463 176.870 0.026 0.000 1.076 177 L CA -0.350 54.488 54.840 -0.004 0.000 0.920 177 L CB 0.974 43.089 42.059 0.093 0.000 1.214 177 L HN 0.745 nan 8.230 nan 0.000 0.472 178 D N 1.330 121.756 120.400 0.043 0.000 2.389 178 D HA -0.019 4.620 4.640 -0.001 0.000 0.278 178 D C 1.211 177.522 176.300 0.018 0.000 1.398 178 D CA 0.996 55.025 54.000 0.047 0.000 1.090 178 D CB 0.753 41.637 40.800 0.139 0.000 1.108 178 D HN 0.590 nan 8.370 nan 0.000 0.532 179 S N 3.117 118.831 115.700 0.022 0.000 2.406 179 S HA -0.106 4.364 4.470 -0.001 0.000 0.224 179 S C 1.473 176.094 174.600 0.034 0.000 1.030 179 S CA 0.028 58.242 58.200 0.025 0.000 0.958 179 S CB -0.115 63.104 63.200 0.033 0.000 0.811 179 S HN 0.470 nan 8.310 nan 0.000 0.489 180 N N 2.403 121.119 118.700 0.027 0.000 2.396 180 N HA 0.022 4.761 4.740 -0.001 0.000 0.180 180 N C -0.265 175.260 175.510 0.025 0.000 1.028 180 N CA 0.634 53.700 53.050 0.026 0.000 0.893 180 N CB -0.557 37.938 38.487 0.014 0.000 0.967 180 N HN 0.429 nan 8.380 nan 0.000 0.440 181 N N -0.198 118.515 118.700 0.022 0.000 2.932 181 N HA -0.099 4.641 4.740 -0.001 0.000 0.247 181 N C 0.016 175.513 175.510 -0.022 0.000 1.101 181 N CA 0.539 53.605 53.050 0.027 0.000 0.672 181 N CB -1.381 37.135 38.487 0.049 0.000 0.985 181 N HN 0.204 nan 8.380 nan 0.000 0.561 182 T N -1.228 113.289 114.554 -0.063 0.000 2.942 182 T HA 0.085 4.434 4.350 -0.001 0.000 0.265 182 T C 1.302 175.808 174.700 -0.323 0.000 1.062 182 T CA 0.423 62.447 62.100 -0.126 0.000 1.139 182 T CB 0.266 69.075 68.868 -0.097 0.000 0.883 182 T HN 0.177 nan 8.240 nan 0.000 0.468 183 M N 2.611 122.058 119.600 -0.255 0.000 2.233 183 M HA 0.271 4.750 4.480 -0.001 0.000 0.350 183 M C -2.334 173.883 176.300 -0.138 0.000 1.176 183 M CA -3.514 51.600 55.300 -0.310 0.000 1.150 183 M CB 0.085 32.584 32.600 -0.168 0.000 1.530 183 M HN -0.065 nan 8.290 nan 0.000 0.459 184 P HA 0.027 nan 4.420 nan 0.000 0.268 184 P C -0.662 176.832 177.300 0.323 0.000 1.205 184 P CA -0.148 62.997 63.100 0.075 0.000 0.771 184 P CB 0.248 31.985 31.700 0.062 0.000 0.858 185 F N 3.348 123.388 119.950 0.149 0.000 2.472 185 F HA 0.258 4.784 4.527 -0.001 0.000 0.364 185 F C 0.534 176.468 175.800 0.223 0.000 1.090 185 F CA 0.405 58.515 58.000 0.183 0.000 1.188 185 F CB 0.369 39.452 39.000 0.138 0.000 1.105 185 F HN 0.218 nan 8.300 nan 0.000 0.536 186 T N 6.425 120.836 114.554 -0.238 0.000 3.068 186 T HA 0.412 4.762 4.350 -0.001 0.000 0.364 186 T C -2.926 171.556 174.700 -0.363 0.000 1.161 186 T CA -2.021 59.995 62.100 -0.140 0.000 1.155 186 T CB 0.811 69.793 68.868 0.191 0.000 1.060 186 T HN 0.433 nan 8.240 nan 0.000 0.513 187 P HA 0.288 nan 4.420 nan 0.000 0.275 187 P C 1.030 178.233 177.300 -0.161 0.000 1.276 187 P CA -0.330 62.551 63.100 -0.366 0.000 0.782 187 P CB 1.050 32.621 31.700 -0.216 0.000 0.851 188 A N 4.974 127.714 122.820 -0.134 0.000 1.972 188 A HA -0.077 4.243 4.320 -0.001 0.000 0.219 188 A C 2.199 179.738 177.584 -0.075 0.000 1.169 188 A CA 1.577 53.570 52.037 -0.073 0.000 0.635 188 A CB -1.202 17.767 19.000 -0.052 0.000 0.810 188 A HN 0.527 nan 8.150 nan 0.000 0.446 189 A N -0.893 121.873 122.820 -0.089 0.000 2.148 189 A HA -0.177 4.143 4.320 -0.001 0.000 0.222 189 A C 2.042 179.605 177.584 -0.034 0.000 1.161 189 A CA 1.742 53.741 52.037 -0.064 0.000 0.662 189 A CB -0.578 18.384 19.000 -0.064 0.000 0.799 189 A HN 0.595 nan 8.150 nan 0.000 0.466 190 M N -1.229 118.349 119.600 -0.038 0.000 2.618 190 M HA 0.073 4.552 4.480 -0.001 0.000 0.240 190 M C 0.498 176.770 176.300 -0.047 0.000 1.123 190 M CA 0.634 55.914 55.300 -0.033 0.000 1.060 190 M CB 0.115 32.709 32.600 -0.010 0.000 1.535 190 M HN 0.312 nan 8.290 nan 0.000 0.507 191 R N -0.847 119.622 120.500 -0.052 0.000 2.637 191 R HA 0.140 4.480 4.340 -0.001 0.000 0.446 191 R C 0.255 176.511 176.300 -0.073 0.000 1.024 191 R CA -0.052 56.018 56.100 -0.049 0.000 1.080 191 R CB 0.436 30.716 30.300 -0.034 0.000 1.421 191 R HN 0.206 nan 8.270 nan 0.000 0.593 192 S N 1.675 117.301 115.700 -0.124 0.000 3.292 192 S HA -0.202 4.267 4.470 -0.001 0.000 0.360 192 S C 0.199 174.651 174.600 -0.247 0.000 0.930 192 S CA 1.010 59.024 58.200 -0.310 0.000 1.317 192 S CB -0.715 62.336 63.200 -0.249 0.000 0.920 192 S HN 0.619 nan 8.310 nan 0.000 0.540 193 E N 0.877 120.990 120.200 -0.144 0.000 3.428 193 E HA 0.127 4.476 4.350 -0.001 0.000 0.191 193 E C 0.651 177.258 176.600 0.013 0.000 0.980 193 E CA 0.289 56.682 56.400 -0.011 0.000 1.305 193 E CB 0.771 30.467 29.700 -0.006 0.000 1.105 193 E HN 0.803 nan 8.360 nan 0.000 0.455 194 T N -2.668 111.907 114.554 0.034 0.000 2.924 194 T HA 0.468 4.817 4.350 -0.001 0.000 0.301 194 T C 0.609 175.354 174.700 0.075 0.000 1.120 194 T CA -0.717 61.407 62.100 0.039 0.000 0.940 194 T CB 0.661 69.574 68.868 0.075 0.000 1.591 194 T HN -0.035 nan 8.240 nan 0.000 0.578 195 L N 0.593 121.819 121.223 0.006 0.000 2.421 195 L HA 0.533 4.872 4.340 -0.001 0.000 0.263 195 L C 1.440 178.291 176.870 -0.032 0.000 1.122 195 L CA -1.091 53.695 54.840 -0.090 0.000 0.804 195 L CB 0.396 42.288 42.059 -0.279 0.000 1.150 195 L HN 1.012 nan 8.230 nan 0.000 0.457 196 G N 0.084 108.803 108.800 -0.136 0.000 2.321 196 G HA2 -0.011 3.949 3.960 -0.001 0.000 0.237 196 G HA3 -0.011 3.949 3.960 -0.001 0.000 0.237 196 G C 0.202 175.145 174.900 0.072 0.000 1.282 196 G CA -0.259 44.743 45.100 -0.164 0.000 0.886 196 G HN 0.448 nan 8.290 nan 0.000 0.528 197 F N 0.783 120.540 119.950 -0.321 0.000 2.797 197 F HA 0.245 4.772 4.527 -0.001 0.000 0.302 197 F C 0.172 175.589 175.800 -0.639 0.000 1.130 197 F CA -0.896 56.825 58.000 -0.465 0.000 1.387 197 F CB -0.711 37.949 39.000 -0.567 0.000 1.107 197 F HN 0.315 nan 8.300 nan 0.000 0.577 198 Y N 1.117 121.323 120.300 -0.156 0.000 2.341 198 Y HA 0.342 4.892 4.550 -0.001 0.000 0.338 198 Y C -1.452 174.204 175.900 -0.407 0.000 0.965 198 Y CA -2.873 54.910 58.100 -0.529 0.000 1.108 198 Y CB 0.910 38.847 38.460 -0.872 0.000 1.180 198 Y HN -0.269 nan 8.280 nan 0.000 0.458 199 P HA -0.135 nan 4.420 nan 0.000 0.219 199 P C 0.509 177.995 177.300 0.310 0.000 1.150 199 P CA 1.402 64.642 63.100 0.234 0.000 0.814 199 P CB 0.051 32.016 31.700 0.442 0.000 0.787 200 W N 1.980 123.443 121.300 0.271 0.000 3.447 200 W HA 0.391 5.051 4.660 -0.001 0.000 0.348 200 W C 0.139 176.714 176.519 0.093 0.000 1.220 200 W CA -0.862 56.578 57.345 0.159 0.000 1.809 200 W CB -0.656 28.881 29.460 0.128 0.000 1.040 200 W HN -0.089 nan 8.180 nan 0.000 0.735 201 K N 0.771 121.153 120.400 -0.031 0.000 2.482 201 K HA 0.524 4.844 4.320 -0.001 0.000 0.251 201 K C -2.812 173.748 176.600 -0.067 0.000 0.936 201 K CA -1.792 54.458 56.287 -0.063 0.000 0.791 201 K CB 2.178 34.568 32.500 -0.183 0.000 1.213 201 K HN -0.277 nan 8.250 nan 0.000 0.428 202 P HA 0.111 nan 4.420 nan 0.000 0.273 202 P C -0.754 176.458 177.300 -0.147 0.000 1.258 202 P CA -0.338 62.673 63.100 -0.149 0.000 0.802 202 P CB 0.708 32.297 31.700 -0.184 0.000 1.040 203 T N -1.540 112.917 114.554 -0.162 0.000 2.711 203 T HA 0.706 5.055 4.350 -0.001 0.000 0.302 203 T C -1.716 172.897 174.700 -0.146 0.000 1.373 203 T CA -0.672 61.335 62.100 -0.154 0.000 1.000 203 T CB 0.433 69.215 68.868 -0.143 0.000 1.483 203 T HN 0.336 nan 8.240 nan 0.000 0.499 204 I N 0.160 120.652 120.570 -0.130 0.000 2.913 204 I HA 0.726 4.896 4.170 -0.001 0.000 0.302 204 I C -2.910 173.157 176.117 -0.083 0.000 1.246 204 I CA -2.626 58.614 61.300 -0.099 0.000 1.010 204 I CB 2.526 40.496 38.000 -0.050 0.000 1.259 204 I HN 0.406 nan 8.210 nan 0.000 0.434 205 P HA 0.282 nan 4.420 nan 0.000 0.281 205 P C -0.627 176.688 177.300 0.025 0.000 1.264 205 P CA -0.137 62.954 63.100 -0.016 0.000 0.824 205 P CB 1.453 33.171 31.700 0.030 0.000 1.092 206 T N -1.986 112.601 114.554 0.055 0.000 2.875 206 T HA 0.443 4.793 4.350 -0.001 0.000 0.284 206 T C -2.622 172.167 174.700 0.149 0.000 0.995 206 T CA -2.528 59.622 62.100 0.083 0.000 1.060 206 T CB 0.303 69.217 68.868 0.077 0.000 0.967 206 T HN 0.154 nan 8.240 nan 0.000 0.476 207 P HA 0.105 nan 4.420 nan 0.000 0.267 207 P C -0.900 176.552 177.300 0.253 0.000 1.209 207 P CA -0.405 62.795 63.100 0.166 0.000 0.763 207 P CB 0.235 31.985 31.700 0.084 0.000 0.816 208 W N 6.688 128.072 121.300 0.140 0.000 2.202 208 W HA 0.343 5.002 4.660 -0.001 0.000 0.332 208 W C 0.162 176.768 176.519 0.145 0.000 1.263 208 W CA 0.311 57.759 57.345 0.171 0.000 1.223 208 W CB 0.607 30.220 29.460 0.255 0.000 1.128 208 W HN 0.341 nan 8.180 nan 0.000 0.573 209 R N 5.329 125.565 120.500 -0.441 0.000 2.644 209 R HA 0.317 4.656 4.340 -0.001 0.000 0.257 209 R C -2.211 173.753 176.300 -0.559 0.000 1.082 209 R CA -0.800 55.025 56.100 -0.458 0.000 0.927 209 R CB 0.412 30.559 30.300 -0.255 0.000 1.258 209 R HN 0.731 nan 8.270 nan 0.000 0.459 210 Y N -0.873 119.079 120.300 -0.580 0.000 2.576 210 Y HA 0.627 5.176 4.550 -0.001 0.000 0.346 210 Y C -0.975 174.847 175.900 -0.130 0.000 1.018 210 Y CA -1.731 56.130 58.100 -0.398 0.000 1.050 210 Y CB 0.895 39.136 38.460 -0.365 0.000 1.280 210 Y HN 0.403 nan 8.280 nan 0.000 0.474 211 Y N 1.960 122.362 120.300 0.170 0.000 2.610 211 Y HA 0.162 4.712 4.550 -0.001 0.000 0.332 211 Y C -0.476 175.635 175.900 0.352 0.000 1.201 211 Y CA -0.050 58.194 58.100 0.240 0.000 1.465 211 Y CB 0.232 38.856 38.460 0.273 0.000 1.283 211 Y HN 0.643 nan 8.280 nan 0.000 0.563 212 F N 4.058 124.249 119.950 0.402 0.000 2.467 212 F HA 0.266 4.793 4.527 -0.001 0.000 0.336 212 F C 0.034 176.129 175.800 0.492 0.000 1.123 212 F CA -1.132 57.061 58.000 0.322 0.000 0.964 212 F CB 0.823 39.911 39.000 0.147 0.000 1.136 212 F HN 0.370 nan 8.300 nan 0.000 0.447 213 Q N 5.704 125.663 119.800 0.265 0.000 2.348 213 Q HA -0.038 4.302 4.340 -0.001 0.000 0.331 213 Q C -1.432 174.877 176.000 0.514 0.000 1.099 213 Q CA 0.910 56.857 55.803 0.239 0.000 1.021 213 Q CB 0.530 29.243 28.738 -0.040 0.000 1.166 213 Q HN 0.749 nan 8.270 nan 0.000 0.393 214 W N 3.767 125.163 121.300 0.161 0.000 3.573 214 W HA 0.426 5.086 4.660 -0.001 0.000 0.306 214 W C -1.608 174.926 176.519 0.025 0.000 1.227 214 W CA -0.897 56.528 57.345 0.133 0.000 1.212 214 W CB 0.659 30.302 29.460 0.305 0.000 1.331 214 W HN 0.342 nan 8.180 nan 0.000 0.524 215 D N 2.243 122.567 120.400 -0.126 0.000 2.387 215 D HA 0.653 5.293 4.640 -0.001 0.000 0.251 215 D C -0.442 175.860 176.300 0.004 0.000 1.141 215 D CA -0.327 53.554 54.000 -0.199 0.000 0.987 215 D CB 1.541 42.235 40.800 -0.177 0.000 1.116 215 D HN 0.595 nan 8.370 nan 0.000 0.491 216 R N -1.098 119.450 120.500 0.080 0.000 3.329 216 R HA 0.338 4.678 4.340 -0.001 0.000 0.251 216 R C -2.029 174.439 176.300 0.281 0.000 1.023 216 R CA -0.470 55.840 56.100 0.349 0.000 1.009 216 R CB 0.156 30.768 30.300 0.520 0.000 1.250 216 R HN 0.322 nan 8.270 nan 0.000 0.518 217 T N 3.580 118.352 114.554 0.363 0.000 2.916 217 T HA 0.812 5.162 4.350 -0.001 0.000 0.292 217 T C -1.522 173.286 174.700 0.179 0.000 1.055 217 T CA -0.473 61.772 62.100 0.242 0.000 1.009 217 T CB 1.365 70.432 68.868 0.331 0.000 1.118 217 T HN 0.816 nan 8.240 nan 0.000 0.497 218 L N 2.462 123.761 121.223 0.127 0.000 2.949 218 L HA 0.481 4.821 4.340 -0.001 0.000 0.258 218 L C -2.048 174.857 176.870 0.059 0.000 0.941 218 L CA -0.626 54.269 54.840 0.091 0.000 1.053 218 L CB 0.808 42.928 42.059 0.102 0.000 1.550 218 L HN 0.458 nan 8.230 nan 0.000 0.493 219 I N 6.376 126.967 120.570 0.035 0.000 2.395 219 I HA 0.416 4.586 4.170 -0.001 0.000 0.289 219 I C -1.784 174.325 176.117 -0.014 0.000 1.023 219 I CA -1.829 59.478 61.300 0.013 0.000 1.350 219 I CB 0.922 38.925 38.000 0.006 0.000 1.409 219 I HN 0.561 nan 8.210 nan 0.000 0.507 220 P HA 0.164 nan 4.420 nan 0.000 0.269 220 P C -0.634 176.624 177.300 -0.069 0.000 1.209 220 P CA -0.005 63.064 63.100 -0.051 0.000 0.776 220 P CB 1.139 32.812 31.700 -0.044 0.000 0.876 221 S N 0.765 116.408 115.700 -0.096 0.000 2.567 221 S HA 0.541 5.011 4.470 -0.001 0.000 0.270 221 S C -0.654 173.855 174.600 -0.151 0.000 1.152 221 S CA -0.806 57.288 58.200 -0.178 0.000 0.835 221 S CB 0.924 64.007 63.200 -0.195 0.000 1.115 221 S HN 0.769 nan 8.310 nan 0.000 0.459 222 H N -0.670 118.375 119.070 -0.041 0.000 2.850 222 H HA 0.706 5.261 4.556 -0.001 0.000 0.297 222 H C 1.319 176.625 175.328 -0.036 0.000 1.508 222 H CA -0.136 55.885 56.048 -0.044 0.000 1.513 222 H CB -0.584 29.154 29.762 -0.040 0.000 1.803 222 H HN 0.452 nan 8.280 nan 0.000 0.830 223 T N -0.503 114.168 114.554 0.195 0.000 2.643 223 T HA -0.073 4.277 4.350 -0.001 0.000 0.264 223 T C 2.208 176.993 174.700 0.142 0.000 1.045 223 T CA 1.710 63.875 62.100 0.108 0.000 1.155 223 T CB -0.984 67.930 68.868 0.076 0.000 0.863 223 T HN 0.837 nan 8.240 nan 0.000 0.420 224 G N 1.577 110.591 108.800 0.358 0.000 2.615 224 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.213 224 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.213 224 G C 0.560 175.554 174.900 0.157 0.000 1.135 224 G CA 0.462 45.719 45.100 0.262 0.000 0.772 224 G HN 0.431 nan 8.290 nan 0.000 0.542 225 T N 1.662 116.117 114.554 -0.165 0.000 2.829 225 T HA 0.349 4.698 4.350 -0.001 0.000 0.293 225 T C 0.808 175.438 174.700 -0.116 0.000 0.970 225 T CA 0.169 62.077 62.100 -0.319 0.000 1.168 225 T CB 0.887 69.455 68.868 -0.500 0.000 0.911 225 T HN 0.336 nan 8.240 nan 0.000 0.535 226 S N 2.771 118.431 115.700 -0.067 0.000 2.610 226 S HA 0.770 5.240 4.470 -0.001 0.000 0.273 226 S C 0.830 175.406 174.600 -0.041 0.000 1.274 226 S CA -0.220 57.959 58.200 -0.036 0.000 1.023 226 S CB 1.132 64.325 63.200 -0.013 0.000 0.962 226 S HN 1.363 nan 8.310 nan 0.000 0.523 227 G N 1.021 109.803 108.800 -0.029 0.000 2.698 227 G HA2 -0.079 3.881 3.960 -0.001 0.000 0.233 227 G HA3 -0.079 3.881 3.960 -0.001 0.000 0.233 227 G C -0.487 174.394 174.900 -0.032 0.000 1.352 227 G CA -0.285 44.799 45.100 -0.026 0.000 0.879 227 G HN 1.267 nan 8.290 nan 0.000 0.567 228 T N 3.214 117.752 114.554 -0.026 0.000 2.786 228 T HA 0.651 5.001 4.350 -0.001 0.000 0.283 228 T C -1.848 172.838 174.700 -0.024 0.000 0.992 228 T CA -0.318 61.767 62.100 -0.026 0.000 0.954 228 T CB 1.865 70.722 68.868 -0.019 0.000 0.934 228 T HN 0.758 nan 8.240 nan 0.000 0.440 229 P HA 0.188 nan 4.420 nan 0.000 0.275 229 P C -0.034 177.264 177.300 -0.004 0.000 1.227 229 P CA -0.490 62.597 63.100 -0.021 0.000 0.781 229 P CB 0.295 31.976 31.700 -0.033 0.000 0.906 230 T N -0.192 114.367 114.554 0.008 0.000 2.736 230 T HA 0.048 4.397 4.350 -0.001 0.000 0.275 230 T C 0.227 174.947 174.700 0.033 0.000 0.962 230 T CA -0.472 61.640 62.100 0.020 0.000 1.214 230 T CB -0.851 68.039 68.868 0.037 0.000 0.904 230 T HN 0.432 nan 8.240 nan 0.000 0.529 231 N N 4.345 123.060 118.700 0.024 0.000 2.682 231 N HA 0.459 5.199 4.740 -0.001 0.000 0.252 231 N C -0.729 174.803 175.510 0.037 0.000 1.081 231 N CA -0.996 52.079 53.050 0.041 0.000 0.844 231 N CB 0.381 38.885 38.487 0.028 0.000 1.167 231 N HN 0.866 nan 8.380 nan 0.000 0.523 232 I N -0.871 119.727 120.570 0.047 0.000 2.802 232 I HA 0.499 4.669 4.170 -0.001 0.000 0.298 232 I C -1.599 174.568 176.117 0.083 0.000 1.176 232 I CA -1.275 60.024 61.300 -0.001 0.000 1.025 232 I CB 1.879 39.769 38.000 -0.184 0.000 1.243 232 I HN 0.265 nan 8.210 nan 0.000 0.424 233 Y N 5.556 125.856 120.300 0.001 0.000 2.454 233 Y HA 0.398 4.947 4.550 -0.001 0.000 0.345 233 Y C 0.852 176.797 175.900 0.074 0.000 0.970 233 Y CA -0.070 58.103 58.100 0.122 0.000 1.204 233 Y CB 0.394 38.904 38.460 0.084 0.000 1.122 233 Y HN 0.572 nan 8.280 nan 0.000 0.514 234 H N 4.094 123.015 119.070 -0.249 0.000 2.389 234 H HA 0.099 4.655 4.556 -0.001 0.000 0.299 234 H C 1.313 176.434 175.328 -0.344 0.000 1.081 234 H CA 1.375 57.290 56.048 -0.223 0.000 1.345 234 H CB 0.252 29.934 29.762 -0.134 0.000 1.393 234 H HN 0.930 nan 8.280 nan 0.000 0.520 235 G N -0.278 108.167 108.800 -0.591 0.000 2.250 235 G HA2 -0.144 3.816 3.960 -0.001 0.000 0.196 235 G HA3 -0.144 3.816 3.960 -0.001 0.000 0.196 235 G C -0.935 173.911 174.900 -0.089 0.000 1.308 235 G CA -0.189 44.697 45.100 -0.356 0.000 1.207 235 G HN 0.243 nan 8.290 nan 0.000 0.505 236 T N 0.655 115.244 114.554 0.059 0.000 2.893 236 T HA 0.582 4.931 4.350 -0.001 0.000 0.291 236 T C -1.472 173.268 174.700 0.067 0.000 1.028 236 T CA -0.105 62.076 62.100 0.134 0.000 0.995 236 T CB 1.944 70.972 68.868 0.266 0.000 1.051 236 T HN 0.707 nan 8.240 nan 0.000 0.470 237 D N 3.010 123.432 120.400 0.036 0.000 2.412 237 D HA 0.322 4.962 4.640 -0.001 0.000 0.224 237 D C -1.011 175.291 176.300 0.004 0.000 1.093 237 D CA -2.398 51.602 54.000 0.000 0.000 0.850 237 D CB 1.360 42.137 40.800 -0.039 0.000 1.046 237 D HN 0.063 nan 8.370 nan 0.000 0.507 238 P HA -0.213 nan 4.420 nan 0.000 0.218 238 P C 0.434 177.725 177.300 -0.015 0.000 1.154 238 P CA 1.145 64.252 63.100 0.013 0.000 0.872 238 P CB 0.331 32.042 31.700 0.019 0.000 0.790 239 D N 0.041 120.430 120.400 -0.020 0.000 2.354 239 D HA -0.118 4.522 4.640 -0.001 0.000 0.216 239 D C 0.571 176.843 176.300 -0.046 0.000 0.970 239 D CA 1.034 55.017 54.000 -0.028 0.000 0.905 239 D CB -0.286 40.499 40.800 -0.026 0.000 0.903 239 D HN 0.362 nan 8.370 nan 0.000 0.508 240 D N 0.011 120.373 120.400 -0.062 0.000 2.479 240 D HA 0.069 4.708 4.640 -0.001 0.000 0.218 240 D C 0.163 176.370 176.300 -0.155 0.000 1.177 240 D CA -0.154 53.792 54.000 -0.090 0.000 0.830 240 D CB 1.113 41.860 40.800 -0.089 0.000 1.014 240 D HN -0.047 nan 8.370 nan 0.000 0.503 241 V N 1.489 121.308 119.914 -0.158 0.000 2.479 241 V HA 0.086 4.205 4.120 -0.001 0.000 0.281 241 V C 0.268 176.202 176.094 -0.267 0.000 1.031 241 V CA 0.384 62.518 62.300 -0.276 0.000 1.038 241 V CB 0.888 32.640 31.823 -0.118 0.000 0.981 241 V HN 0.023 nan 8.190 nan 0.000 0.478 242 Q N 4.545 124.099 119.800 -0.411 0.000 2.444 242 Q HA 0.336 4.676 4.340 -0.001 0.000 0.251 242 Q C -1.360 174.507 176.000 -0.222 0.000 0.939 242 Q CA -0.463 55.134 55.803 -0.344 0.000 0.740 242 Q CB 2.048 30.572 28.738 -0.357 0.000 1.308 242 Q HN 0.705 nan 8.270 nan 0.000 0.461 243 F N 3.635 123.447 119.950 -0.230 0.000 2.361 243 F HA 0.440 4.966 4.527 -0.001 0.000 0.364 243 F C -1.586 174.181 175.800 -0.054 0.000 1.120 243 F CA -0.865 57.159 58.000 0.040 0.000 1.102 243 F CB 0.291 39.374 39.000 0.138 0.000 1.183 243 F HN 0.328 nan 8.300 nan 0.000 0.476 244 Y N 2.618 122.978 120.300 0.100 0.000 2.387 244 Y HA 0.584 5.133 4.550 -0.001 0.000 0.330 244 Y C 0.504 176.192 175.900 -0.354 0.000 1.133 244 Y CA -0.718 57.274 58.100 -0.180 0.000 1.152 244 Y CB 1.885 40.270 38.460 -0.124 0.000 1.215 244 Y HN 0.619 nan 8.280 nan 0.000 0.466 245 T N -0.318 114.093 114.554 -0.238 0.000 2.912 245 T HA 0.417 4.766 4.350 -0.001 0.000 0.299 245 T C 0.451 175.072 174.700 -0.132 0.000 1.052 245 T CA -0.777 61.134 62.100 -0.316 0.000 0.996 245 T CB 1.025 69.504 68.868 -0.648 0.000 1.070 245 T HN 0.408 nan 8.240 nan 0.000 0.465 246 I N 1.345 121.850 120.570 -0.107 0.000 2.142 246 I HA -0.098 4.072 4.170 -0.001 0.000 0.240 246 I C 2.459 178.451 176.117 -0.208 0.000 1.078 246 I CA 1.405 62.459 61.300 -0.410 0.000 1.343 246 I CB -1.380 35.994 38.000 -1.043 0.000 1.046 246 I HN 0.761 nan 8.210 nan 0.000 0.405 247 E N 1.454 121.640 120.200 -0.024 0.000 2.113 247 E HA -0.268 4.082 4.350 -0.001 0.000 0.210 247 E C 1.775 178.364 176.600 -0.017 0.000 1.040 247 E CA 2.121 58.549 56.400 0.047 0.000 0.847 247 E CB -0.542 29.234 29.700 0.127 0.000 0.755 247 E HN 0.554 nan 8.360 nan 0.000 0.459 248 N N -1.215 117.450 118.700 -0.059 0.000 2.463 248 N HA 0.049 4.788 4.740 -0.001 0.000 0.181 248 N C 0.683 176.161 175.510 -0.054 0.000 1.078 248 N CA 0.685 53.702 53.050 -0.056 0.000 0.902 248 N CB 0.500 38.939 38.487 -0.081 0.000 0.970 248 N HN -0.069 nan 8.380 nan 0.000 0.451 249 S N -0.676 114.975 115.700 -0.080 0.000 2.540 249 S HA 0.303 4.773 4.470 -0.001 0.000 0.222 249 S C -0.023 174.531 174.600 -0.077 0.000 1.008 249 S CA -0.298 57.860 58.200 -0.071 0.000 0.939 249 S CB 1.130 64.280 63.200 -0.083 0.000 0.865 249 S HN -0.082 nan 8.310 nan 0.000 0.499 250 V N 2.413 122.272 119.914 -0.091 0.000 3.012 250 V HA 0.413 4.532 4.120 -0.001 0.000 0.307 250 V C -2.983 173.092 176.094 -0.032 0.000 1.166 250 V CA -2.023 60.236 62.300 -0.067 0.000 0.974 250 V CB 2.206 33.957 31.823 -0.120 0.000 1.040 250 V HN -0.054 nan 8.190 nan 0.000 0.428 251 P HA 0.371 nan 4.420 nan 0.000 0.287 251 P C -0.905 176.447 177.300 0.087 0.000 1.307 251 P CA -0.181 62.940 63.100 0.036 0.000 0.777 251 P CB 0.866 32.601 31.700 0.058 0.000 0.883 252 V N 4.901 124.853 119.914 0.063 0.000 2.465 252 V HA 0.199 4.319 4.120 -0.001 0.000 0.279 252 V C 0.180 176.328 176.094 0.089 0.000 1.045 252 V CA -0.361 62.031 62.300 0.152 0.000 0.938 252 V CB 0.383 32.346 31.823 0.234 0.000 0.986 252 V HN 0.542 nan 8.190 nan 0.000 0.467 253 H N 3.910 123.030 119.070 0.084 0.000 2.458 253 H HA 0.609 5.164 4.556 -0.001 0.000 0.330 253 H C -0.332 175.035 175.328 0.065 0.000 1.111 253 H CA -0.490 55.609 56.048 0.084 0.000 1.245 253 H CB 1.149 30.980 29.762 0.116 0.000 1.456 253 H HN 0.485 nan 8.280 nan 0.000 0.488 254 L N 4.277 125.582 121.223 0.137 0.000 2.307 254 L HA 0.456 4.795 4.340 -0.001 0.000 0.282 254 L C -0.505 176.427 176.870 0.103 0.000 1.051 254 L CA -0.549 54.346 54.840 0.093 0.000 0.804 254 L CB 0.904 42.995 42.059 0.054 0.000 1.197 254 L HN 0.331 nan 8.230 nan 0.000 0.431 255 L N 2.849 124.117 121.223 0.075 0.000 2.370 255 L HA 0.646 4.986 4.340 -0.001 0.000 0.266 255 L C -0.269 176.633 176.870 0.054 0.000 1.002 255 L CA -0.719 54.166 54.840 0.075 0.000 0.818 255 L CB 2.396 44.493 42.059 0.063 0.000 1.325 255 L HN 0.628 nan 8.230 nan 0.000 0.418 256 R N -0.385 120.150 120.500 0.058 0.000 2.960 256 R HA 0.474 4.814 4.340 -0.001 0.000 0.249 256 R C 0.731 177.065 176.300 0.057 0.000 1.192 256 R CA -0.705 55.423 56.100 0.046 0.000 1.035 256 R CB 1.395 31.718 30.300 0.039 0.000 1.234 256 R HN 0.627 nan 8.270 nan 0.000 0.493 257 T N 0.173 114.758 114.554 0.051 0.000 2.620 257 T HA -0.228 4.121 4.350 -0.001 0.000 0.267 257 T C 1.774 176.519 174.700 0.074 0.000 1.044 257 T CA 1.964 64.102 62.100 0.064 0.000 1.161 257 T CB -0.613 68.287 68.868 0.053 0.000 0.862 257 T HN 0.870 nan 8.240 nan 0.000 0.438 258 G N 1.767 110.605 108.800 0.063 0.000 2.625 258 G HA2 -0.031 3.929 3.960 -0.001 0.000 0.214 258 G HA3 -0.031 3.929 3.960 -0.001 0.000 0.214 258 G C 0.367 175.312 174.900 0.075 0.000 1.132 258 G CA 0.152 45.291 45.100 0.065 0.000 0.782 258 G HN 0.413 nan 8.290 nan 0.000 0.538 259 D N 0.148 120.598 120.400 0.083 0.000 2.432 259 D HA 0.499 5.138 4.640 -0.001 0.000 0.258 259 D C 0.032 176.404 176.300 0.119 0.000 1.146 259 D CA 0.103 54.160 54.000 0.095 0.000 1.015 259 D CB 1.454 42.312 40.800 0.097 0.000 1.107 259 D HN 0.374 nan 8.370 nan 0.000 0.529 260 E N -0.417 119.862 120.200 0.133 0.000 2.537 260 E HA 0.312 4.661 4.350 -0.001 0.000 0.301 260 E C -2.065 174.641 176.600 0.177 0.000 0.990 260 E CA -0.818 55.682 56.400 0.168 0.000 0.828 260 E CB 0.102 29.914 29.700 0.186 0.000 1.243 260 E HN 0.201 nan 8.360 nan 0.000 0.414 261 F N 3.127 123.077 119.950 -0.001 0.000 2.469 261 F HA 0.903 5.429 4.527 -0.001 0.000 0.332 261 F C -1.216 174.549 175.800 -0.059 0.000 1.103 261 F CA -0.448 57.513 58.000 -0.065 0.000 0.979 261 F CB 1.741 40.666 39.000 -0.124 0.000 1.137 261 F HN 0.827 nan 8.300 nan 0.000 0.463 262 A N 4.033 126.461 122.820 -0.653 0.000 2.374 262 A HA 0.617 4.936 4.320 -0.001 0.000 0.305 262 A C -0.145 176.934 177.584 -0.842 0.000 1.053 262 A CA -0.135 51.609 52.037 -0.489 0.000 0.726 262 A CB 0.794 19.628 19.000 -0.277 0.000 1.229 262 A HN 0.983 nan 8.150 nan 0.000 0.431 263 T N 0.394 114.636 114.554 -0.521 0.000 2.801 263 T HA 0.625 4.974 4.350 -0.001 0.000 0.324 263 T C 0.926 175.436 174.700 -0.317 0.000 1.088 263 T CA 0.271 62.124 62.100 -0.411 0.000 0.975 263 T CB 0.354 69.115 68.868 -0.179 0.000 1.316 263 T HN 1.255 nan 8.240 nan 0.000 0.533 264 G N -0.830 107.834 108.800 -0.226 0.000 2.641 264 G HA2 0.552 4.512 3.960 -0.001 0.000 0.239 264 G HA3 0.552 4.512 3.960 -0.001 0.000 0.239 264 G C -0.904 173.894 174.900 -0.171 0.000 1.402 264 G CA -0.779 44.221 45.100 -0.167 0.000 1.046 264 G HN 0.851 nan 8.290 nan 0.000 0.565 265 T N 0.465 114.958 114.554 -0.102 0.000 2.786 265 T HA 0.436 4.786 4.350 -0.001 0.000 0.283 265 T C -1.222 173.436 174.700 -0.069 0.000 0.992 265 T CA -0.142 61.857 62.100 -0.169 0.000 0.954 265 T CB 1.233 69.996 68.868 -0.176 0.000 0.934 265 T HN 0.346 nan 8.240 nan 0.000 0.440 266 F N 3.489 123.205 119.950 -0.391 0.000 2.397 266 F HA 0.717 5.244 4.527 -0.001 0.000 0.331 266 F C -1.517 173.986 175.800 -0.495 0.000 1.090 266 F CA -1.681 56.127 58.000 -0.320 0.000 1.065 266 F CB 0.687 39.404 39.000 -0.471 0.000 1.184 266 F HN 0.407 nan 8.300 nan 0.000 0.499 267 F N 6.181 125.651 119.950 -0.800 0.000 2.403 267 F HA 0.393 4.919 4.527 -0.001 0.000 0.355 267 F C -0.697 174.683 175.800 -0.700 0.000 1.119 267 F CA -1.036 56.637 58.000 -0.545 0.000 1.007 267 F CB 0.430 39.203 39.000 -0.377 0.000 1.194 267 F HN 0.225 nan 8.300 nan 0.000 0.443 268 F N 1.607 121.488 119.950 -0.114 0.000 2.545 268 F HA 0.189 4.716 4.527 -0.001 0.000 0.348 268 F C 0.550 176.289 175.800 -0.102 0.000 1.163 268 F CA 0.021 57.990 58.000 -0.051 0.000 1.331 268 F CB 0.471 39.391 39.000 -0.134 0.000 1.138 268 F HN 0.374 nan 8.300 nan 0.000 0.602 269 D N 2.138 122.622 120.400 0.139 0.000 2.402 269 D HA 0.551 5.191 4.640 -0.001 0.000 0.252 269 D C -1.534 174.816 176.300 0.084 0.000 1.294 269 D CA -0.186 53.849 54.000 0.059 0.000 0.948 269 D CB 0.569 41.362 40.800 -0.011 0.000 1.202 269 D HN 0.702 nan 8.370 nan 0.000 0.561 270 C N 1.386 120.731 119.300 0.076 0.000 3.268 270 C HA 0.454 4.913 4.460 -0.001 0.000 0.374 270 C C -0.179 174.870 174.990 0.099 0.000 1.126 270 C CA -1.560 57.512 59.018 0.090 0.000 1.162 270 C CB 0.215 28.034 27.740 0.131 0.000 1.503 270 C HN 0.562 nan 8.230 nan 0.000 0.538 271 K N 1.762 122.219 120.400 0.095 0.000 2.604 271 K HA 0.103 4.422 4.320 -0.001 0.000 0.277 271 K C -2.086 174.595 176.600 0.135 0.000 0.966 271 K CA 0.454 56.787 56.287 0.076 0.000 0.991 271 K CB 0.244 32.782 32.500 0.063 0.000 0.865 271 K HN 0.689 nan 8.250 nan 0.000 0.511 272 P HA 0.091 nan 4.420 nan 0.000 0.290 272 P C -0.429 176.945 177.300 0.125 0.000 1.276 272 P CA -0.637 62.443 63.100 -0.033 0.000 0.808 272 P CB 1.101 32.512 31.700 -0.482 0.000 0.966 273 C N 4.875 124.331 119.300 0.260 0.000 2.422 273 C HA 0.502 4.961 4.460 -0.001 0.000 0.364 273 C C 0.443 175.497 174.990 0.107 0.000 1.251 273 C CA -0.330 58.706 59.018 0.029 0.000 2.441 273 C CB -0.073 27.580 27.740 -0.145 0.000 2.393 273 C HN 0.607 nan 8.230 nan 0.000 0.606 274 R N 2.197 122.730 120.500 0.056 0.000 2.892 274 R HA 0.589 4.928 4.340 -0.001 0.000 0.265 274 R C -0.897 175.426 176.300 0.039 0.000 1.025 274 R CA -0.719 55.418 56.100 0.062 0.000 0.982 274 R CB 1.161 31.494 30.300 0.055 0.000 1.185 274 R HN 0.690 nan 8.270 nan 0.000 0.484 275 L N 1.217 122.451 121.223 0.017 0.000 3.186 275 L HA 0.286 4.626 4.340 -0.001 0.000 0.292 275 L C -0.419 176.461 176.870 0.016 0.000 1.303 275 L CA -0.341 54.491 54.840 -0.014 0.000 0.940 275 L CB 0.699 42.701 42.059 -0.095 0.000 1.358 275 L HN 0.768 nan 8.230 nan 0.000 0.581 276 T N -3.865 110.729 114.554 0.066 0.000 2.896 276 T HA 0.582 4.931 4.350 -0.001 0.000 0.297 276 T C -0.801 174.008 174.700 0.182 0.000 1.108 276 T CA -0.705 61.459 62.100 0.106 0.000 1.004 276 T CB 2.524 71.423 68.868 0.051 0.000 1.159 276 T HN 0.254 nan 8.240 nan 0.000 0.499 277 H N -0.421 118.694 119.070 0.076 0.000 2.797 277 H HA 0.734 5.290 4.556 -0.001 0.000 0.372 277 H C -0.721 174.695 175.328 0.147 0.000 1.168 277 H CA -0.822 55.297 56.048 0.120 0.000 1.163 277 H CB 1.376 31.237 29.762 0.165 0.000 1.778 277 H HN 0.908 nan 8.280 nan 0.000 0.551 278 T N -0.660 113.948 114.554 0.090 0.000 2.943 278 T HA 0.299 4.648 4.350 -0.001 0.000 0.284 278 T C 0.711 175.496 174.700 0.142 0.000 1.015 278 T CA -0.759 61.334 62.100 -0.013 0.000 1.042 278 T CB 1.563 70.409 68.868 -0.038 0.000 1.055 278 T HN 0.942 nan 8.240 nan 0.000 0.500 279 W N -0.443 120.867 121.300 0.015 0.000 2.977 279 W HA 0.245 4.904 4.660 -0.001 0.000 0.236 279 W C -0.295 176.255 176.519 0.052 0.000 1.053 279 W CA -0.594 56.789 57.345 0.064 0.000 1.375 279 W CB -0.132 29.363 29.460 0.058 0.000 0.814 279 W HN 0.523 nan 8.180 nan 0.000 0.713 280 Q N 3.558 122.863 119.800 -0.826 0.000 2.239 280 Q HA 0.130 4.470 4.340 -0.001 0.000 0.286 280 Q C 0.509 176.386 176.000 -0.205 0.000 1.102 280 Q CA 1.002 56.373 55.803 -0.722 0.000 0.936 280 Q CB 0.723 28.920 28.738 -0.901 0.000 1.127 280 Q HN 0.023 nan 8.270 nan 0.000 0.380 281 T N -0.637 113.902 114.554 -0.024 0.000 2.934 281 T HA 0.171 4.520 4.350 -0.001 0.000 0.283 281 T C 0.871 175.558 174.700 -0.021 0.000 1.005 281 T CA -0.969 61.138 62.100 0.011 0.000 1.041 281 T CB 0.948 69.861 68.868 0.075 0.000 1.042 281 T HN 0.463 nan 8.240 nan 0.000 0.505 282 N N 0.177 118.861 118.700 -0.027 0.000 2.251 282 N HA -0.189 4.550 4.740 -0.001 0.000 0.196 282 N C 1.694 177.189 175.510 -0.024 0.000 0.993 282 N CA 1.062 54.085 53.050 -0.045 0.000 0.896 282 N CB -0.191 38.277 38.487 -0.031 0.000 0.994 282 N HN 0.367 nan 8.380 nan 0.000 0.452 283 R N -0.518 119.993 120.500 0.018 0.000 2.307 283 R HA 0.188 4.527 4.340 -0.001 0.000 0.199 283 R C 0.163 176.501 176.300 0.063 0.000 1.000 283 R CA 0.455 56.583 56.100 0.045 0.000 1.023 283 R CB 0.100 30.444 30.300 0.073 0.000 0.908 283 R HN 0.157 nan 8.270 nan 0.000 0.473 284 A N 0.563 123.411 122.820 0.047 0.000 2.812 284 A HA 0.364 4.683 4.320 -0.001 0.000 0.294 284 A C -0.264 177.302 177.584 -0.030 0.000 1.014 284 A CA -0.391 51.688 52.037 0.070 0.000 1.024 284 A CB 0.265 19.387 19.000 0.203 0.000 1.162 284 A HN 0.048 nan 8.150 nan 0.000 0.511 285 L N 0.673 121.871 121.223 -0.042 0.000 2.298 285 L HA 0.675 5.014 4.340 -0.001 0.000 0.284 285 L C 0.793 177.657 176.870 -0.011 0.000 1.013 285 L CA 0.228 55.020 54.840 -0.081 0.000 0.824 285 L CB 1.378 43.309 42.059 -0.213 0.000 1.221 285 L HN 0.672 nan 8.230 nan 0.000 0.418 286 G N 2.823 111.697 108.800 0.124 0.000 2.378 286 G HA2 -0.116 3.843 3.960 -0.001 0.000 0.198 286 G HA3 -0.116 3.843 3.960 -0.001 0.000 0.198 286 G C -1.646 173.330 174.900 0.128 0.000 1.223 286 G CA -0.786 44.416 45.100 0.170 0.000 1.088 286 G HN 0.452 nan 8.290 nan 0.000 0.530 287 L N 2.359 123.645 121.223 0.105 0.000 2.257 287 L HA 0.733 5.072 4.340 -0.001 0.000 0.290 287 L C -1.689 175.237 176.870 0.093 0.000 1.044 287 L CA -1.736 53.159 54.840 0.091 0.000 0.810 287 L CB 0.357 42.462 42.059 0.076 0.000 1.193 287 L HN 0.483 nan 8.230 nan 0.000 0.425 288 P HA 0.228 nan 4.420 nan 0.000 0.269 288 P C -2.540 174.829 177.300 0.115 0.000 1.215 288 P CA -0.752 62.409 63.100 0.101 0.000 0.780 288 P CB -0.343 31.419 31.700 0.104 0.000 0.898 289 P HA -0.050 nan 4.420 nan 0.000 0.264 289 P C -0.657 176.736 177.300 0.153 0.000 1.183 289 P CA -0.009 63.161 63.100 0.116 0.000 0.763 289 P CB 0.267 32.014 31.700 0.079 0.000 0.807 290 F N 4.619 124.591 119.950 0.037 0.000 2.466 290 F HA 0.178 4.704 4.527 -0.001 0.000 0.363 290 F C 0.178 175.998 175.800 0.034 0.000 1.109 290 F CA -0.731 57.289 58.000 0.033 0.000 1.161 290 F CB -0.223 38.794 39.000 0.029 0.000 1.117 290 F HN 0.134 nan 8.300 nan 0.000 0.539 291 L N 6.726 127.656 121.223 -0.490 0.000 2.485 291 L HA 0.032 4.371 4.340 -0.001 0.000 0.275 291 L C 1.125 177.462 176.870 -0.890 0.000 1.207 291 L CA -0.092 54.452 54.840 -0.494 0.000 0.855 291 L CB 0.246 42.151 42.059 -0.257 0.000 1.114 291 L HN 0.667 nan 8.230 nan 0.000 0.485 292 N N 0.119 118.531 118.700 -0.479 0.000 2.348 292 N HA -0.025 4.715 4.740 -0.001 0.000 0.183 292 N C 0.141 175.537 175.510 -0.190 0.000 1.094 292 N CA 0.350 53.183 53.050 -0.361 0.000 0.885 292 N CB 0.865 39.251 38.487 -0.168 0.000 1.065 292 N HN 0.502 nan 8.380 nan 0.000 0.472 293 S N 1.375 116.987 115.700 -0.146 0.000 2.399 293 S HA 0.410 4.880 4.470 -0.001 0.000 0.215 293 S C -0.435 174.130 174.600 -0.059 0.000 1.456 293 S CA -0.533 57.621 58.200 -0.076 0.000 1.199 293 S CB -0.383 62.793 63.200 -0.041 0.000 1.063 293 S HN 0.067 nan 8.310 nan 0.000 0.476 294 L N 5.612 126.799 121.223 -0.060 0.000 2.453 294 L HA 0.335 4.675 4.340 -0.001 0.000 0.272 294 L C -1.421 175.435 176.870 -0.022 0.000 1.182 294 L CA -1.520 53.298 54.840 -0.036 0.000 0.858 294 L CB 0.139 42.181 42.059 -0.028 0.000 1.120 294 L HN 0.464 nan 8.230 nan 0.000 0.474 295 P HA -0.058 nan 4.420 nan 0.000 0.267 295 P C -0.572 176.710 177.300 -0.029 0.000 1.201 295 P CA -0.013 63.070 63.100 -0.027 0.000 0.775 295 P CB 0.781 32.459 31.700 -0.037 0.000 0.854 296 Q N -0.103 119.676 119.800 -0.034 0.000 2.247 296 Q HA 0.147 4.486 4.340 -0.001 0.000 0.211 296 Q C -0.003 175.977 176.000 -0.033 0.000 0.861 296 Q CA 0.062 55.847 55.803 -0.029 0.000 0.949 296 Q CB 0.434 29.157 28.738 -0.024 0.000 1.115 296 Q HN 0.637 nan 8.270 nan 0.000 0.507 297 S N -0.848 114.826 115.700 -0.045 0.000 2.542 297 S HA 0.262 4.731 4.470 -0.001 0.000 0.276 297 S C -0.901 173.663 174.600 -0.059 0.000 1.148 297 S CA -1.094 57.079 58.200 -0.046 0.000 0.886 297 S CB 1.488 64.662 63.200 -0.044 0.000 1.109 297 S HN 0.111 nan 8.310 nan 0.000 0.458 298 E N 0.660 120.830 120.200 -0.050 0.000 2.481 298 E HA 0.410 4.759 4.350 -0.001 0.000 0.263 298 E C 0.399 176.954 176.600 -0.074 0.000 0.992 298 E CA 0.549 56.916 56.400 -0.055 0.000 0.938 298 E CB 0.272 29.948 29.700 -0.040 0.000 0.933 298 E HN 1.079 nan 8.360 nan 0.000 0.453 299 G N 0.150 108.894 108.800 -0.094 0.000 2.219 299 G HA2 0.281 4.241 3.960 -0.001 0.000 0.304 299 G HA3 0.281 4.241 3.960 -0.001 0.000 0.304 299 G C 0.048 174.846 174.900 -0.171 0.000 1.712 299 G CA -0.238 44.788 45.100 -0.124 0.000 0.905 299 G HN 0.472 nan 8.290 nan 0.000 0.706 300 A N 1.192 123.936 122.820 -0.127 0.000 2.225 300 A HA 0.264 4.583 4.320 -0.001 0.000 0.215 300 A C 1.959 179.400 177.584 -0.238 0.000 1.164 300 A CA 2.346 54.321 52.037 -0.103 0.000 0.710 300 A CB -0.297 18.684 19.000 -0.032 0.000 0.780 300 A HN 1.755 nan 8.150 nan 0.000 0.473 301 T N -3.959 110.342 114.554 -0.421 0.000 3.200 301 T HA 0.255 4.605 4.350 -0.001 0.000 0.284 301 T C -0.220 173.837 174.700 -1.073 0.000 1.009 301 T CA -0.424 61.214 62.100 -0.770 0.000 0.907 301 T CB -0.410 68.280 68.868 -0.297 0.000 1.120 301 T HN 0.228 nan 8.240 nan 0.000 0.534 302 N N 1.878 120.080 118.700 -0.831 0.000 2.699 302 N HA 0.506 5.245 4.740 -0.001 0.000 0.232 302 N C -1.494 173.752 175.510 -0.440 0.000 1.027 302 N CA -0.524 52.215 53.050 -0.518 0.000 0.920 302 N CB 0.204 38.541 38.487 -0.250 0.000 1.148 302 N HN 0.252 nan 8.380 nan 0.000 0.509 303 F N 0.079 120.022 119.950 -0.012 0.000 2.404 303 F HA 0.573 5.100 4.527 -0.001 0.000 0.339 303 F C 1.555 177.344 175.800 -0.019 0.000 1.105 303 F CA -1.158 56.834 58.000 -0.013 0.000 1.087 303 F CB 0.628 39.623 39.000 -0.009 0.000 1.143 303 F HN 0.229 nan 8.300 nan 0.000 0.491 304 G N 0.292 109.185 108.800 0.155 0.000 2.570 304 G HA2 0.366 4.325 3.960 -0.001 0.000 0.276 304 G HA3 0.366 4.325 3.960 -0.001 0.000 0.276 304 G C -1.495 173.440 174.900 0.058 0.000 1.346 304 G CA -0.108 45.029 45.100 0.061 0.000 1.034 304 G HN 0.626 nan 8.290 nan 0.000 0.512 305 D N -1.898 118.500 120.400 -0.002 0.000 2.966 305 D HA 0.189 4.828 4.640 -0.001 0.000 0.222 305 D C 1.366 177.630 176.300 -0.060 0.000 1.292 305 D CA -0.694 53.299 54.000 -0.010 0.000 0.907 305 D CB 1.276 42.082 40.800 0.010 0.000 1.621 305 D HN 0.132 nan 8.370 nan 0.000 0.557 306 I N 2.518 123.060 120.570 -0.047 0.000 2.185 306 I HA -0.116 4.053 4.170 -0.001 0.000 0.246 306 I C 1.563 177.644 176.117 -0.060 0.000 1.088 306 I CA 1.295 62.557 61.300 -0.063 0.000 1.347 306 I CB -0.484 37.510 38.000 -0.011 0.000 1.041 306 I HN 0.795 nan 8.210 nan 0.000 0.415 307 G N 1.641 110.425 108.800 -0.025 0.000 2.351 307 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.297 307 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.297 307 G C -0.360 174.545 174.900 0.010 0.000 1.054 307 G CA 0.225 45.318 45.100 -0.011 0.000 1.123 307 G HN 0.288 nan 8.290 nan 0.000 0.512 308 V N 0.235 120.165 119.914 0.027 0.000 2.809 308 V HA 0.194 4.313 4.120 -0.001 0.000 0.290 308 V C 0.336 176.463 176.094 0.056 0.000 1.305 308 V CA -1.268 61.058 62.300 0.043 0.000 0.939 308 V CB 1.649 33.503 31.823 0.053 0.000 1.081 308 V HN 0.572 nan 8.190 nan 0.000 0.439 309 Q N 3.494 123.328 119.800 0.058 0.000 2.398 309 Q HA -0.043 4.297 4.340 -0.001 0.000 0.329 309 Q C 1.180 177.244 176.000 0.107 0.000 1.079 309 Q CA 0.387 56.236 55.803 0.077 0.000 1.041 309 Q CB 0.653 29.429 28.738 0.065 0.000 1.084 309 Q HN 0.697 nan 8.270 nan 0.000 0.386 310 Q N 1.827 121.721 119.800 0.158 0.000 2.344 310 Q HA -0.217 4.122 4.340 -0.001 0.000 0.212 310 Q C 0.508 176.660 176.000 0.253 0.000 0.991 310 Q CA 1.516 57.464 55.803 0.242 0.000 0.897 310 Q CB 0.031 28.972 28.738 0.338 0.000 0.915 310 Q HN 0.694 nan 8.270 nan 0.000 0.438 311 D N -1.343 119.134 120.400 0.128 0.000 2.501 311 D HA 0.064 4.704 4.640 -0.001 0.000 0.226 311 D C 0.603 176.891 176.300 -0.020 0.000 1.198 311 D CA -0.128 53.846 54.000 -0.042 0.000 0.830 311 D CB 0.430 41.074 40.800 -0.261 0.000 1.014 311 D HN -0.064 nan 8.370 nan 0.000 0.496 312 K N 0.502 120.918 120.400 0.027 0.000 2.520 312 K HA 0.220 4.539 4.320 -0.001 0.000 0.206 312 K C 0.496 177.117 176.600 0.036 0.000 1.122 312 K CA -0.278 56.023 56.287 0.022 0.000 1.045 312 K CB 1.661 34.177 32.500 0.027 0.000 0.932 312 K HN 0.119 nan 8.250 nan 0.000 0.571 313 R N 0.950 121.480 120.500 0.050 0.000 2.577 313 R HA 0.340 4.679 4.340 -0.001 0.000 0.269 313 R C 0.375 176.704 176.300 0.048 0.000 1.084 313 R CA -0.360 55.775 56.100 0.059 0.000 1.163 313 R CB 0.931 31.276 30.300 0.076 0.000 1.100 313 R HN -0.090 nan 8.270 nan 0.000 0.547 314 R N -0.243 120.288 120.500 0.051 0.000 2.691 314 R HA 0.654 4.994 4.340 -0.001 0.000 0.259 314 R C 0.076 176.402 176.300 0.044 0.000 1.048 314 R CA -0.381 55.743 56.100 0.041 0.000 1.086 314 R CB 1.637 31.961 30.300 0.039 0.000 1.166 314 R HN 0.852 nan 8.270 nan 0.000 0.526 315 G N -0.471 108.349 108.800 0.034 0.000 2.315 315 G HA2 0.071 4.031 3.960 -0.001 0.000 0.296 315 G HA3 0.071 4.031 3.960 -0.001 0.000 0.296 315 G C -1.755 173.158 174.900 0.023 0.000 1.289 315 G CA -0.908 44.211 45.100 0.033 0.000 0.996 315 G HN 0.431 nan 8.290 nan 0.000 0.487 316 V N 0.593 120.519 119.914 0.020 0.000 2.876 316 V HA 0.931 5.051 4.120 -0.001 0.000 0.312 316 V C 0.419 176.515 176.094 0.003 0.000 1.085 316 V CA 0.274 62.579 62.300 0.008 0.000 0.945 316 V CB 1.829 33.654 31.823 0.004 0.000 1.017 316 V HN 1.831 nan 8.190 nan 0.000 0.428 317 T N 0.390 114.939 114.554 -0.008 0.000 2.816 317 T HA 0.443 4.793 4.350 -0.001 0.000 0.299 317 T C -0.346 174.333 174.700 -0.035 0.000 1.230 317 T CA -0.683 61.405 62.100 -0.021 0.000 1.007 317 T CB 2.278 71.133 68.868 -0.021 0.000 1.289 317 T HN 0.469 nan 8.240 nan 0.000 0.508 318 Q N 0.064 119.834 119.800 -0.051 0.000 2.198 318 Q HA 0.296 4.636 4.340 -0.001 0.000 0.209 318 Q C -0.136 175.818 176.000 -0.076 0.000 0.848 318 Q CA -0.025 55.745 55.803 -0.055 0.000 0.974 318 Q CB 0.206 28.912 28.738 -0.053 0.000 1.115 318 Q HN 0.579 nan 8.270 nan 0.000 0.494 319 M N 0.321 119.861 119.600 -0.100 0.000 2.289 319 M HA 0.219 4.699 4.480 -0.001 0.000 0.354 319 M C 1.117 177.360 176.300 -0.095 0.000 1.210 319 M CA -0.224 54.989 55.300 -0.144 0.000 1.174 319 M CB 0.792 33.230 32.600 -0.270 0.000 1.297 319 M HN 0.131 nan 8.290 nan 0.000 0.423 320 G N 2.786 111.548 108.800 -0.063 0.000 2.485 320 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.221 320 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.221 320 G C 1.163 176.047 174.900 -0.027 0.000 1.115 320 G CA 0.787 45.864 45.100 -0.037 0.000 0.751 320 G HN 0.637 nan 8.290 nan 0.000 0.567 321 N N 0.412 119.094 118.700 -0.031 0.000 2.063 321 N HA -0.064 4.675 4.740 -0.001 0.000 0.192 321 N C 1.587 177.108 175.510 0.018 0.000 1.071 321 N CA 1.539 54.595 53.050 0.010 0.000 0.858 321 N CB -0.877 37.642 38.487 0.053 0.000 1.050 321 N HN 0.420 nan 8.380 nan 0.000 0.434 322 T N -0.463 114.112 114.554 0.035 0.000 2.701 322 T HA 0.109 4.458 4.350 -0.001 0.000 0.303 322 T C 0.461 175.149 174.700 -0.020 0.000 1.030 322 T CA -0.112 62.025 62.100 0.061 0.000 1.010 322 T CB 0.418 69.459 68.868 0.288 0.000 1.007 322 T HN 0.214 nan 8.240 nan 0.000 0.532 323 N N -1.458 117.178 118.700 -0.106 0.000 2.200 323 N HA 0.213 4.952 4.740 -0.001 0.000 0.224 323 N C -1.125 174.340 175.510 -0.075 0.000 1.179 323 N CA -0.275 52.713 53.050 -0.103 0.000 0.877 323 N CB 0.260 38.665 38.487 -0.137 0.000 1.072 323 N HN 0.458 nan 8.380 nan 0.000 0.519 324 Y N 1.099 121.450 120.300 0.085 0.000 2.359 324 Y HA 0.296 4.845 4.550 -0.001 0.000 0.330 324 Y C 0.474 176.415 175.900 0.068 0.000 1.143 324 Y CA -0.371 57.790 58.100 0.103 0.000 1.318 324 Y CB 0.576 39.151 38.460 0.192 0.000 1.234 324 Y HN -0.023 nan 8.280 nan 0.000 0.522 325 I N 4.032 124.747 120.570 0.243 0.000 2.714 325 I HA 0.155 4.324 4.170 -0.001 0.000 0.276 325 I C -0.114 176.082 176.117 0.133 0.000 1.196 325 I CA -0.414 60.972 61.300 0.143 0.000 1.068 325 I CB 0.610 38.668 38.000 0.097 0.000 1.291 325 I HN 0.633 nan 8.210 nan 0.000 0.530 326 T N -0.855 113.776 114.554 0.129 0.000 2.893 326 T HA 0.359 4.709 4.350 -0.001 0.000 0.279 326 T C 0.990 175.739 174.700 0.081 0.000 0.991 326 T CA -0.489 61.671 62.100 0.100 0.000 0.950 326 T CB 1.804 70.731 68.868 0.098 0.000 1.223 326 T HN 0.236 nan 8.240 nan 0.000 0.585 327 E N 0.065 120.309 120.200 0.072 0.000 2.208 327 E HA 0.071 4.420 4.350 -0.001 0.000 0.193 327 E C 2.032 178.671 176.600 0.065 0.000 0.988 327 E CA 1.097 57.536 56.400 0.064 0.000 0.828 327 E CB -0.604 29.132 29.700 0.061 0.000 0.763 327 E HN 0.761 nan 8.360 nan 0.000 0.478 328 A N -0.011 122.860 122.820 0.086 0.000 2.251 328 A HA 0.071 4.391 4.320 -0.001 0.000 0.209 328 A C 1.964 179.588 177.584 0.066 0.000 1.187 328 A CA 0.780 52.870 52.037 0.088 0.000 0.823 328 A CB 0.143 19.235 19.000 0.154 0.000 0.846 328 A HN 0.102 nan 8.150 nan 0.000 0.486 329 T N -0.647 113.948 114.554 0.067 0.000 3.056 329 T HA 0.187 4.536 4.350 -0.001 0.000 0.243 329 T C 0.823 175.532 174.700 0.015 0.000 0.995 329 T CA -0.065 62.058 62.100 0.038 0.000 1.091 329 T CB -0.249 68.663 68.868 0.072 0.000 0.990 329 T HN 0.340 nan 8.240 nan 0.000 0.464 330 I N 2.107 122.696 120.570 0.032 0.000 3.392 330 I HA -0.047 4.122 4.170 -0.001 0.000 0.286 330 I C 0.263 176.379 176.117 -0.001 0.000 1.286 330 I CA 0.396 61.708 61.300 0.021 0.000 1.359 330 I CB 0.286 38.306 38.000 0.033 0.000 1.335 330 I HN 0.212 nan 8.210 nan 0.000 0.602 331 M N 6.320 125.916 119.600 -0.007 0.000 2.047 331 M HA 0.383 4.863 4.480 -0.001 0.000 0.342 331 M C -1.065 175.212 176.300 -0.039 0.000 1.058 331 M CA -0.712 54.573 55.300 -0.025 0.000 0.991 331 M CB 0.176 32.761 32.600 -0.024 0.000 1.474 331 M HN 0.444 nan 8.290 nan 0.000 0.419 332 R N 5.905 126.369 120.500 -0.060 0.000 2.357 332 R HA 0.329 4.668 4.340 -0.001 0.000 0.296 332 R C -1.540 174.683 176.300 -0.129 0.000 1.052 332 R CA -1.660 54.375 56.100 -0.108 0.000 0.988 332 R CB -0.040 30.190 30.300 -0.116 0.000 1.025 332 R HN 0.562 nan 8.270 nan 0.000 0.469 333 P HA -0.261 nan 4.420 nan 0.000 0.219 333 P C 0.094 177.319 177.300 -0.126 0.000 1.161 333 P CA 1.924 64.929 63.100 -0.158 0.000 0.909 333 P CB 0.367 31.912 31.700 -0.257 0.000 0.793 334 A N -1.513 121.216 122.820 -0.151 0.000 3.065 334 A HA 0.566 4.886 4.320 -0.001 0.000 0.293 334 A C -1.217 176.311 177.584 -0.094 0.000 1.213 334 A CA -0.544 51.431 52.037 -0.104 0.000 0.667 334 A CB 0.960 19.906 19.000 -0.090 0.000 1.412 334 A HN 0.023 nan 8.150 nan 0.000 0.601 335 E N 0.472 120.633 120.200 -0.064 0.000 2.255 335 E HA 0.509 4.858 4.350 -0.001 0.000 0.256 335 E C -1.659 174.936 176.600 -0.009 0.000 0.887 335 E CA -0.487 55.890 56.400 -0.039 0.000 0.782 335 E CB 1.616 31.303 29.700 -0.021 0.000 1.214 335 E HN 0.405 nan 8.360 nan 0.000 0.417 336 V N 4.175 124.080 119.914 -0.015 0.000 2.446 336 V HA 0.445 4.564 4.120 -0.001 0.000 0.276 336 V C 0.857 176.988 176.094 0.061 0.000 1.030 336 V CA 1.027 63.335 62.300 0.012 0.000 1.033 336 V CB 0.035 31.851 31.823 -0.012 0.000 0.993 336 V HN 0.940 nan 8.190 nan 0.000 0.477 337 G N 4.390 113.258 108.800 0.114 0.000 2.707 337 G HA2 0.038 3.998 3.960 -0.001 0.000 0.686 337 G HA3 0.038 3.998 3.960 -0.001 0.000 0.686 337 G C -1.207 173.862 174.900 0.281 0.000 1.315 337 G CA -0.155 45.059 45.100 0.189 0.000 0.832 337 G HN 2.008 nan 8.290 nan 0.000 0.573 338 Y N -2.136 118.181 120.300 0.028 0.000 2.581 338 Y HA 0.837 5.387 4.550 -0.001 0.000 0.337 338 Y C -0.343 175.553 175.900 -0.007 0.000 1.108 338 Y CA -1.087 57.031 58.100 0.030 0.000 1.033 338 Y CB 1.006 39.533 38.460 0.112 0.000 1.318 338 Y HN 0.958 nan 8.280 nan 0.000 0.459 339 S N 1.637 117.236 115.700 -0.168 0.000 2.457 339 S HA 0.902 5.372 4.470 -0.001 0.000 0.289 339 S C -0.539 173.896 174.600 -0.275 0.000 1.163 339 S CA -0.069 57.979 58.200 -0.253 0.000 1.078 339 S CB 0.517 63.658 63.200 -0.099 0.000 0.987 339 S HN 1.030 nan 8.310 nan 0.000 0.482 340 A N 4.964 127.601 122.820 -0.305 0.000 2.423 340 A HA 0.837 5.156 4.320 -0.001 0.000 0.304 340 A C -2.995 174.595 177.584 0.009 0.000 1.104 340 A CA -2.115 49.828 52.037 -0.157 0.000 0.757 340 A CB 0.622 19.463 19.000 -0.263 0.000 1.313 340 A HN 0.522 nan 8.150 nan 0.000 0.423 341 P HA 0.241 nan 4.420 nan 0.000 0.262 341 P C -1.331 176.052 177.300 0.139 0.000 1.199 341 P CA 0.712 63.880 63.100 0.113 0.000 0.763 341 P CB -0.191 31.544 31.700 0.059 0.000 0.790 342 Y N 2.011 122.277 120.300 -0.057 0.000 2.331 342 Y HA 0.508 5.057 4.550 -0.001 0.000 0.338 342 Y C -0.198 175.719 175.900 0.028 0.000 0.976 342 Y CA -1.950 56.085 58.100 -0.109 0.000 1.137 342 Y CB 0.225 38.593 38.460 -0.154 0.000 1.172 342 Y HN 0.346 nan 8.280 nan 0.000 0.478 343 Y N 0.875 121.259 120.300 0.141 0.000 3.380 343 Y HA -0.185 4.364 4.550 -0.001 0.000 0.211 343 Y C 0.223 176.259 175.900 0.228 0.000 1.394 343 Y CA 0.490 58.678 58.100 0.147 0.000 1.479 343 Y CB -1.735 36.844 38.460 0.199 0.000 1.483 343 Y HN 0.860 nan 8.280 nan 0.000 0.566 344 S N 0.291 116.103 115.700 0.187 0.000 2.437 344 S HA 0.836 5.305 4.470 -0.001 0.000 0.305 344 S C -0.561 174.106 174.600 0.110 0.000 1.109 344 S CA -0.591 57.731 58.200 0.203 0.000 1.099 344 S CB 0.817 64.053 63.200 0.060 0.000 1.004 344 S HN 0.137 nan 8.310 nan 0.000 0.475 345 F N 2.178 122.081 119.950 -0.078 0.000 2.421 345 F HA 0.542 5.068 4.527 -0.001 0.000 0.337 345 F C 0.878 176.522 175.800 -0.260 0.000 1.105 345 F CA -1.016 56.877 58.000 -0.179 0.000 1.049 345 F CB 1.349 40.294 39.000 -0.091 0.000 1.139 345 F HN 0.659 nan 8.300 nan 0.000 0.479 346 E N 1.076 121.035 120.200 -0.401 0.000 2.259 346 E HA 0.895 5.245 4.350 -0.001 0.000 0.257 346 E C -1.107 175.293 176.600 -0.334 0.000 0.998 346 E CA -1.398 54.795 56.400 -0.346 0.000 0.866 346 E CB 2.109 31.563 29.700 -0.410 0.000 1.220 346 E HN 0.618 nan 8.360 nan 0.000 0.415 347 A N 0.693 123.496 122.820 -0.028 0.000 2.540 347 A HA 0.587 4.906 4.320 -0.001 0.000 0.297 347 A C -1.113 176.594 177.584 0.206 0.000 1.056 347 A CA -0.494 51.649 52.037 0.177 0.000 0.700 347 A CB 1.985 21.059 19.000 0.124 0.000 1.280 347 A HN 0.348 nan 8.150 nan 0.000 0.398 348 S N 0.318 116.161 115.700 0.239 0.000 2.685 348 S HA 0.650 5.120 4.470 -0.001 0.000 0.282 348 S C 1.313 175.910 174.600 -0.005 0.000 1.159 348 S CA 0.631 58.889 58.200 0.097 0.000 0.833 348 S CB 1.169 64.424 63.200 0.092 0.000 1.151 348 S HN 1.385 nan 8.310 nan 0.000 0.485 349 T N 2.081 116.589 114.554 -0.076 0.000 2.783 349 T HA -0.339 4.010 4.350 -0.001 0.000 0.218 349 T C 1.189 175.749 174.700 -0.233 0.000 1.314 349 T CA 2.846 64.847 62.100 -0.165 0.000 1.059 349 T CB -0.841 67.899 68.868 -0.213 0.000 0.791 349 T HN 0.737 nan 8.240 nan 0.000 0.509 350 Q N 0.582 120.203 119.800 -0.299 0.000 2.247 350 Q HA 0.484 4.823 4.340 -0.001 0.000 0.204 350 Q C 0.803 176.802 176.000 -0.002 0.000 0.872 350 Q CA 0.286 55.835 55.803 -0.424 0.000 0.951 350 Q CB 1.254 29.396 28.738 -0.993 0.000 1.099 350 Q HN 0.736 nan 8.270 nan 0.000 0.501 351 G N 1.219 110.073 108.800 0.090 0.000 2.371 351 G HA2 -0.070 3.890 3.960 -0.001 0.000 0.663 351 G HA3 -0.070 3.890 3.960 -0.001 0.000 0.663 351 G C -3.096 171.975 174.900 0.286 0.000 1.311 351 G CA -1.193 44.034 45.100 0.212 0.000 0.985 351 G HN -0.079 nan 8.290 nan 0.000 0.566 352 P HA 0.606 nan 4.420 nan 0.000 0.275 352 P C -0.887 176.685 177.300 0.453 0.000 1.228 352 P CA 0.055 63.340 63.100 0.308 0.000 0.786 352 P CB 0.640 32.474 31.700 0.223 0.000 0.927 353 F N -0.809 119.274 119.950 0.221 0.000 2.641 353 F HA 0.561 5.088 4.527 -0.001 0.000 0.308 353 F C -0.677 175.090 175.800 -0.055 0.000 1.105 353 F CA -1.639 56.434 58.000 0.122 0.000 0.964 353 F CB 0.969 40.000 39.000 0.051 0.000 1.294 353 F HN 0.001 nan 8.300 nan 0.000 0.442 354 K N 1.363 121.608 120.400 -0.258 0.000 2.414 354 K HA 0.217 4.536 4.320 -0.001 0.000 0.272 354 K C -0.532 175.873 176.600 -0.325 0.000 0.993 354 K CA 0.157 56.053 56.287 -0.651 0.000 0.964 354 K CB 1.052 33.244 32.500 -0.513 0.000 0.925 354 K HN 0.888 nan 8.250 nan 0.000 0.487 355 T N 6.919 121.264 114.554 -0.349 0.000 2.997 355 T HA 0.191 4.541 4.350 -0.001 0.000 0.311 355 T C -2.214 172.429 174.700 -0.094 0.000 1.079 355 T CA -1.238 60.760 62.100 -0.170 0.000 0.982 355 T CB 0.613 69.386 68.868 -0.159 0.000 1.032 355 T HN 0.409 nan 8.240 nan 0.000 0.581 356 P HA 0.042 nan 4.420 nan 0.000 0.263 356 P C -0.585 176.700 177.300 -0.026 0.000 1.175 356 P CA -0.151 62.933 63.100 -0.028 0.000 0.761 356 P CB 0.641 32.346 31.700 0.008 0.000 0.794 357 I N 1.873 122.419 120.570 -0.041 0.000 2.562 357 I HA 0.294 4.464 4.170 -0.001 0.000 0.301 357 I C 1.246 177.379 176.117 0.028 0.000 1.003 357 I CA -0.963 60.322 61.300 -0.025 0.000 1.127 357 I CB 1.285 39.220 38.000 -0.109 0.000 1.304 357 I HN 0.412 nan 8.210 nan 0.000 0.446 358 A N 3.484 126.377 122.820 0.121 0.000 2.390 358 A HA 0.517 4.837 4.320 -0.001 0.000 0.232 358 A C 1.633 179.299 177.584 0.137 0.000 1.233 358 A CA 0.773 52.880 52.037 0.117 0.000 0.907 358 A CB 0.147 19.203 19.000 0.093 0.000 0.967 358 A HN 0.765 nan 8.150 nan 0.000 0.512 359 A N -1.121 121.769 122.820 0.117 0.000 1.901 359 A HA 0.479 4.799 4.320 -0.001 0.000 0.210 359 A C 1.902 179.511 177.584 0.041 0.000 1.208 359 A CA 1.539 53.624 52.037 0.081 0.000 0.644 359 A CB -0.718 18.281 19.000 -0.001 0.000 0.863 359 A HN 1.854 nan 8.150 nan 0.000 0.454 360 G N -0.920 107.874 108.800 -0.011 0.000 2.728 360 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.269 360 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.269 360 G C 0.455 175.343 174.900 -0.021 0.000 1.334 360 G CA 1.205 46.306 45.100 0.001 0.000 0.974 360 G HN 1.058 nan 8.290 nan 0.000 0.550 361 R N -1.852 118.664 120.500 0.027 0.000 4.683 361 R HA 0.522 4.862 4.340 -0.001 0.000 0.155 361 R C 0.316 176.649 176.300 0.056 0.000 0.840 361 R CA 1.083 57.199 56.100 0.027 0.000 0.528 361 R CB -0.547 29.760 30.300 0.011 0.000 1.925 361 R HN 2.903 nan 8.270 nan 0.000 0.344 362 G N -0.234 108.597 108.800 0.051 0.000 2.555 362 G HA2 0.406 4.365 3.960 -0.001 0.000 0.686 362 G HA3 0.406 4.365 3.960 -0.001 0.000 0.686 362 G C -0.094 174.818 174.900 0.021 0.000 1.275 362 G CA -0.177 44.946 45.100 0.037 0.000 0.871 362 G HN 1.605 nan 8.290 nan 0.000 0.603 363 G N -1.862 106.935 108.800 -0.006 0.000 2.347 363 G HA2 0.584 4.543 3.960 -0.001 0.000 0.477 363 G HA3 0.584 4.543 3.960 -0.001 0.000 0.477 363 G C 0.754 175.627 174.900 -0.044 0.000 1.349 363 G CA 0.870 45.954 45.100 -0.028 0.000 1.000 363 G HN 2.346 nan 8.290 nan 0.000 0.605 364 A N -0.482 122.301 122.820 -0.061 0.000 2.209 364 A HA 0.224 4.543 4.320 -0.001 0.000 0.212 364 A C 1.713 179.257 177.584 -0.067 0.000 1.158 364 A CA 2.192 54.194 52.037 -0.057 0.000 0.742 364 A CB -0.228 18.736 19.000 -0.059 0.000 0.790 364 A HN 1.143 nan 8.150 nan 0.000 0.472 365 Q N -0.135 119.604 119.800 -0.101 0.000 2.186 365 Q HA 0.102 4.442 4.340 -0.001 0.000 0.241 365 Q C 0.571 176.578 176.000 0.012 0.000 0.849 365 Q CA 0.810 56.552 55.803 -0.100 0.000 1.053 365 Q CB -0.840 27.678 28.738 -0.367 0.000 1.146 365 Q HN 0.571 nan 8.270 nan 0.000 0.475 366 T N -3.345 111.220 114.554 0.018 0.000 3.400 366 T HA 0.095 4.444 4.350 -0.001 0.000 0.228 366 T C 0.109 174.834 174.700 0.040 0.000 0.992 366 T CA 0.671 62.801 62.100 0.050 0.000 1.222 366 T CB 0.035 68.931 68.868 0.047 0.000 1.236 366 T HN 0.150 nan 8.240 nan 0.000 0.357 367 D N 2.083 122.497 120.400 0.023 0.000 2.945 367 D HA -0.232 4.407 4.640 -0.001 0.000 0.225 367 D C 0.651 176.975 176.300 0.040 0.000 1.158 367 D CA 1.311 55.325 54.000 0.022 0.000 0.805 367 D CB -1.455 39.358 40.800 0.021 0.000 1.098 367 D HN 0.922 nan 8.370 nan 0.000 0.426 368 E N -0.886 119.344 120.200 0.050 0.000 4.205 368 E HA -0.368 3.981 4.350 -0.001 0.000 0.310 368 E C 0.973 177.613 176.600 0.067 0.000 0.654 368 E CA 1.826 58.266 56.400 0.067 0.000 1.279 368 E CB -0.883 28.862 29.700 0.075 0.000 1.720 368 E HN 0.420 nan 8.360 nan 0.000 0.403 369 N N -0.149 118.586 118.700 0.059 0.000 2.250 369 N HA -0.089 4.650 4.740 -0.001 0.000 0.181 369 N C 1.247 176.798 175.510 0.069 0.000 1.017 369 N CA 1.298 54.383 53.050 0.059 0.000 0.866 369 N CB -0.068 38.450 38.487 0.051 0.000 0.985 369 N HN 0.341 nan 8.380 nan 0.000 0.429 370 Q N 0.555 120.399 119.800 0.074 0.000 2.360 370 Q HA 0.251 4.590 4.340 -0.001 0.000 0.202 370 Q C 0.148 176.201 176.000 0.089 0.000 0.915 370 Q CA -0.234 55.623 55.803 0.089 0.000 0.943 370 Q CB -0.041 28.761 28.738 0.106 0.000 1.064 370 Q HN 0.179 nan 8.270 nan 0.000 0.511 371 A N 1.540 124.410 122.820 0.083 0.000 2.581 371 A HA 0.246 4.566 4.320 -0.001 0.000 0.257 371 A C 0.463 178.105 177.584 0.097 0.000 1.022 371 A CA 0.901 52.989 52.037 0.085 0.000 0.812 371 A CB -0.169 18.887 19.000 0.092 0.000 0.918 371 A HN 0.339 nan 8.150 nan 0.000 0.516 372 A N 2.479 125.337 122.820 0.062 0.000 2.637 372 A HA 0.671 4.990 4.320 -0.001 0.000 0.258 372 A C -0.005 177.554 177.584 -0.041 0.000 1.250 372 A CA -0.300 51.763 52.037 0.044 0.000 0.931 372 A CB 0.153 19.125 19.000 -0.047 0.000 1.488 372 A HN 0.792 nan 8.150 nan 0.000 0.464 373 D N -1.282 118.990 120.400 -0.214 0.000 2.458 373 D HA 0.416 5.056 4.640 -0.001 0.000 0.243 373 D C 1.001 177.178 176.300 -0.205 0.000 1.146 373 D CA 2.306 56.083 54.000 -0.370 0.000 0.877 373 D CB 0.497 40.932 40.800 -0.608 0.000 1.176 373 D HN 1.123 nan 8.370 nan 0.000 0.461 374 G N 3.577 112.296 108.800 -0.135 0.000 3.151 374 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.197 374 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.197 374 G C -0.018 174.888 174.900 0.010 0.000 1.682 374 G CA -0.401 44.660 45.100 -0.065 0.000 1.205 374 G HN 0.604 nan 8.290 nan 0.000 0.510 375 N N 4.217 122.944 118.700 0.044 0.000 2.434 375 N HA 0.422 5.161 4.740 -0.001 0.000 0.268 375 N C -2.260 173.317 175.510 0.111 0.000 1.256 375 N CA -0.432 52.691 53.050 0.121 0.000 0.914 375 N CB 1.122 39.690 38.487 0.135 0.000 1.088 375 N HN 0.335 nan 8.380 nan 0.000 0.478 376 P HA 0.082 nan 4.420 nan 0.000 0.275 376 P C -1.016 176.328 177.300 0.073 0.000 1.228 376 P CA -0.148 62.991 63.100 0.064 0.000 0.786 376 P CB 1.116 32.876 31.700 0.100 0.000 0.927 377 R N 2.789 123.230 120.500 -0.098 0.000 2.409 377 R HA 0.356 4.696 4.340 -0.001 0.000 0.313 377 R C -1.062 175.047 176.300 -0.318 0.000 0.953 377 R CA -0.653 55.374 56.100 -0.122 0.000 0.849 377 R CB 0.568 30.829 30.300 -0.064 0.000 1.171 377 R HN 0.381 nan 8.270 nan 0.000 0.458 378 Y N 1.987 121.978 120.300 -0.514 0.000 2.320 378 Y HA 0.494 5.043 4.550 -0.001 0.000 0.334 378 Y C 0.283 176.048 175.900 -0.227 0.000 1.055 378 Y CA -0.419 57.436 58.100 -0.408 0.000 1.143 378 Y CB 2.141 40.185 38.460 -0.694 0.000 1.193 378 Y HN 0.630 nan 8.280 nan 0.000 0.477 379 A N 5.529 128.355 122.820 0.010 0.000 2.319 379 A HA 0.842 5.161 4.320 -0.001 0.000 0.310 379 A C -1.337 176.264 177.584 0.027 0.000 1.152 379 A CA -0.521 51.440 52.037 -0.126 0.000 0.783 379 A CB 0.065 18.994 19.000 -0.119 0.000 1.184 379 A HN 0.655 nan 8.150 nan 0.000 0.474 380 F N 0.417 120.374 119.950 0.011 0.000 2.662 380 F HA 0.847 5.374 4.527 -0.001 0.000 0.312 380 F C 0.433 176.269 175.800 0.059 0.000 1.113 380 F CA -0.721 57.291 58.000 0.021 0.000 0.951 380 F CB 0.778 39.798 39.000 0.033 0.000 1.344 380 F HN 0.705 nan 8.300 nan 0.000 0.462 381 G N 0.480 109.471 108.800 0.319 0.000 2.510 381 G HA2 0.394 4.353 3.960 -0.001 0.000 0.280 381 G HA3 0.394 4.353 3.960 -0.001 0.000 0.280 381 G C 0.206 175.243 174.900 0.228 0.000 1.386 381 G CA -1.055 44.171 45.100 0.209 0.000 1.047 381 G HN 0.778 nan 8.290 nan 0.000 0.527 382 R N -0.972 119.588 120.500 0.099 0.000 2.148 382 R HA -0.028 4.312 4.340 -0.001 0.000 0.223 382 R C 2.630 178.932 176.300 0.005 0.000 1.088 382 R CA 0.918 57.056 56.100 0.064 0.000 0.985 382 R CB -0.099 30.203 30.300 0.003 0.000 0.880 382 R HN 0.528 nan 8.270 nan 0.000 0.451 383 Q N 0.034 119.733 119.800 -0.168 0.000 2.170 383 Q HA -0.139 4.200 4.340 -0.001 0.000 0.203 383 Q C 0.057 175.614 176.000 -0.738 0.000 0.976 383 Q CA 1.273 56.792 55.803 -0.474 0.000 0.858 383 Q CB 0.180 28.421 28.738 -0.827 0.000 0.907 383 Q HN 0.617 nan 8.270 nan 0.000 0.433 384 H N -2.239 116.621 119.070 -0.351 0.000 2.591 384 H HA 0.441 4.996 4.556 -0.001 0.000 0.241 384 H C 0.470 175.598 175.328 -0.332 0.000 1.292 384 H CA 0.188 55.725 56.048 -0.852 0.000 1.022 384 H CB 0.727 29.741 29.762 -1.248 0.000 1.875 384 H HN 0.274 nan 8.280 nan 0.000 0.570 385 G N -0.137 108.737 108.800 0.124 0.000 3.435 385 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.197 385 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.197 385 G C 0.192 175.354 174.900 0.436 0.000 1.497 385 G CA -0.454 44.817 45.100 0.284 0.000 1.043 385 G HN 0.478 nan 8.290 nan 0.000 0.466 386 Q N 1.836 121.936 119.800 0.500 0.000 2.326 386 Q HA 0.180 4.519 4.340 -0.001 0.000 0.314 386 Q C 0.525 176.653 176.000 0.212 0.000 1.091 386 Q CA 0.340 56.322 55.803 0.299 0.000 0.974 386 Q CB 0.332 29.177 28.738 0.178 0.000 1.220 386 Q HN 0.451 nan 8.270 nan 0.000 0.398 387 K N 2.729 123.224 120.400 0.158 0.000 2.405 387 K HA -0.099 4.220 4.320 -0.001 0.000 0.276 387 K C 1.159 177.800 176.600 0.069 0.000 1.099 387 K CA 0.675 57.032 56.287 0.117 0.000 1.120 387 K CB 0.325 32.878 32.500 0.088 0.000 0.877 387 K HN 0.845 nan 8.250 nan 0.000 0.472 388 T N 0.263 114.841 114.554 0.040 0.000 2.653 388 T HA -0.259 4.091 4.350 -0.001 0.000 0.268 388 T C 1.722 176.414 174.700 -0.014 0.000 1.035 388 T CA 2.146 64.234 62.100 -0.019 0.000 1.154 388 T CB -0.835 67.972 68.868 -0.102 0.000 0.862 388 T HN 0.731 nan 8.240 nan 0.000 0.441 389 T N -0.963 113.589 114.554 -0.002 0.000 3.155 389 T HA 0.084 4.433 4.350 -0.001 0.000 0.264 389 T C 0.857 175.558 174.700 0.000 0.000 1.160 389 T CA 0.466 62.564 62.100 -0.004 0.000 1.075 389 T CB -0.966 67.903 68.868 0.002 0.000 0.921 389 T HN 0.385 nan 8.240 nan 0.000 0.533 390 T N 3.317 117.876 114.554 0.009 0.000 2.814 390 T HA 0.399 4.749 4.350 -0.001 0.000 0.297 390 T C 0.936 175.635 174.700 -0.001 0.000 0.956 390 T CA -0.138 61.967 62.100 0.008 0.000 1.123 390 T CB 1.119 69.999 68.868 0.020 0.000 0.902 390 T HN 0.665 nan 8.240 nan 0.000 0.528 391 T N 1.421 115.972 114.554 -0.005 0.000 2.973 391 T HA 0.700 5.049 4.350 -0.001 0.000 0.308 391 T C 0.785 175.479 174.700 -0.010 0.000 1.177 391 T CA -0.017 62.077 62.100 -0.010 0.000 0.938 391 T CB -0.006 68.855 68.868 -0.011 0.000 1.791 391 T HN 1.104 nan 8.240 nan 0.000 0.581 392 G N -0.045 108.748 108.800 -0.012 0.000 2.881 392 G HA2 -0.131 3.829 3.960 -0.001 0.000 0.681 392 G HA3 -0.131 3.829 3.960 -0.001 0.000 0.681 392 G C -0.473 174.419 174.900 -0.015 0.000 1.567 392 G CA -0.136 44.956 45.100 -0.013 0.000 1.013 392 G HN 0.915 nan 8.290 nan 0.000 0.580 393 E N 0.638 120.829 120.200 -0.016 0.000 3.588 393 E HA 0.364 4.713 4.350 -0.001 0.000 0.213 393 E C -0.191 176.396 176.600 -0.021 0.000 1.168 393 E CA -0.228 56.161 56.400 -0.018 0.000 1.254 393 E CB 0.772 30.461 29.700 -0.018 0.000 1.302 393 E HN 0.468 nan 8.360 nan 0.000 0.429 394 T N 2.600 117.139 114.554 -0.025 0.000 2.823 394 T HA 0.354 4.703 4.350 -0.001 0.000 0.279 394 T C -2.102 172.568 174.700 -0.051 0.000 0.998 394 T CA -1.449 60.630 62.100 -0.035 0.000 0.994 394 T CB 1.533 70.381 68.868 -0.033 0.000 0.960 394 T HN 0.157 nan 8.240 nan 0.000 0.448 395 P HA 0.256 nan 4.420 nan 0.000 0.273 395 P C -0.688 176.496 177.300 -0.192 0.000 1.250 395 P CA -0.361 62.667 63.100 -0.118 0.000 0.793 395 P CB 0.741 32.371 31.700 -0.118 0.000 1.011 396 E N 0.734 120.711 120.200 -0.373 0.000 2.151 396 E HA 0.348 4.697 4.350 -0.001 0.000 0.275 396 E C -0.695 175.427 176.600 -0.797 0.000 0.936 396 E CA -0.539 55.550 56.400 -0.519 0.000 0.777 396 E CB 0.781 30.132 29.700 -0.582 0.000 1.108 396 E HN 0.250 nan 8.360 nan 0.000 0.401 397 R N 3.034 123.300 120.500 -0.390 0.000 2.854 397 R HA 0.714 5.053 4.340 -0.001 0.000 0.271 397 R C -1.034 175.270 176.300 0.007 0.000 0.994 397 R CA -1.046 54.897 56.100 -0.262 0.000 0.945 397 R CB 1.458 31.667 30.300 -0.152 0.000 1.194 397 R HN 0.581 nan 8.270 nan 0.000 0.476 398 F N -2.257 117.686 119.950 -0.012 0.000 2.650 398 F HA 0.426 4.952 4.527 -0.001 0.000 0.310 398 F C -1.468 174.309 175.800 -0.038 0.000 1.112 398 F CA -0.784 57.170 58.000 -0.078 0.000 0.986 398 F CB 1.834 40.690 39.000 -0.239 0.000 1.285 398 F HN 0.247 nan 8.300 nan 0.000 0.440 399 T N 4.062 118.748 114.554 0.220 0.000 2.770 399 T HA 0.240 4.589 4.350 -0.001 0.000 0.297 399 T C -1.333 173.568 174.700 0.336 0.000 0.997 399 T CA -0.207 62.016 62.100 0.204 0.000 0.949 399 T CB -0.071 68.879 68.868 0.137 0.000 0.941 399 T HN 0.596 nan 8.240 nan 0.000 0.457 400 Y N 4.963 125.481 120.300 0.363 0.000 2.465 400 Y HA 0.438 4.988 4.550 -0.001 0.000 0.331 400 Y C -0.276 175.799 175.900 0.292 0.000 1.102 400 Y CA -0.785 57.576 58.100 0.435 0.000 1.358 400 Y CB 0.218 39.007 38.460 0.549 0.000 1.213 400 Y HN 0.539 nan 8.280 nan 0.000 0.525 401 I N 7.128 127.731 120.570 0.056 0.000 2.466 401 I HA 0.377 4.546 4.170 -0.001 0.000 0.279 401 I C 0.049 176.170 176.117 0.006 0.000 1.033 401 I CA -0.826 60.539 61.300 0.109 0.000 1.123 401 I CB 0.840 38.868 38.000 0.047 0.000 1.237 401 I HN 0.799 nan 8.210 nan 0.000 0.460 402 A N 3.942 126.925 122.820 0.272 0.000 2.475 402 A HA 0.056 4.376 4.320 -0.001 0.000 0.239 402 A C 0.665 178.304 177.584 0.092 0.000 1.087 402 A CA 0.444 52.661 52.037 0.300 0.000 0.779 402 A CB 0.016 19.259 19.000 0.405 0.000 1.036 402 A HN 0.783 nan 8.150 nan 0.000 0.506 403 H N -0.583 118.493 119.070 0.010 0.000 2.548 403 H HA 0.062 4.618 4.556 -0.001 0.000 0.268 403 H C 0.520 175.896 175.328 0.079 0.000 0.975 403 H CA 1.179 57.148 56.048 -0.133 0.000 1.195 403 H CB 0.039 29.424 29.762 -0.628 0.000 1.397 403 H HN 0.712 nan 8.280 nan 0.000 0.572 404 Q N 1.131 121.100 119.800 0.280 0.000 2.288 404 Q HA 0.145 4.484 4.340 -0.001 0.000 0.258 404 Q C -0.957 175.184 176.000 0.234 0.000 0.957 404 Q CA -0.553 55.442 55.803 0.320 0.000 0.919 404 Q CB 1.059 29.957 28.738 0.266 0.000 1.185 404 Q HN 0.123 nan 8.270 nan 0.000 0.408 405 D N 3.655 124.208 120.400 0.253 0.000 2.453 405 D HA 0.092 4.731 4.640 -0.001 0.000 0.223 405 D C 0.237 176.625 176.300 0.147 0.000 1.183 405 D CA 0.007 54.123 54.000 0.193 0.000 0.933 405 D CB 0.710 41.652 40.800 0.235 0.000 1.038 405 D HN 0.787 nan 8.370 nan 0.000 0.513 406 T N -2.047 112.581 114.554 0.123 0.000 3.326 406 T HA 0.317 4.666 4.350 -0.001 0.000 0.302 406 T C 0.767 175.520 174.700 0.088 0.000 0.908 406 T CA -0.529 61.633 62.100 0.104 0.000 0.933 406 T CB 0.185 69.119 68.868 0.111 0.000 1.194 406 T HN 0.231 nan 8.240 nan 0.000 0.585 407 G N 1.029 109.873 108.800 0.073 0.000 2.613 407 G HA2 0.739 4.698 3.960 -0.001 0.000 0.303 407 G HA3 0.739 4.698 3.960 -0.001 0.000 0.303 407 G C -0.743 174.174 174.900 0.028 0.000 1.312 407 G CA -0.876 44.241 45.100 0.029 0.000 1.036 407 G HN 0.212 nan 8.290 nan 0.000 0.513 408 R N -1.752 118.744 120.500 -0.008 0.000 2.939 408 R HA 0.406 4.746 4.340 -0.001 0.000 0.254 408 R C -1.781 174.571 176.300 0.087 0.000 1.123 408 R CA -1.000 55.121 56.100 0.034 0.000 1.020 408 R CB 1.268 31.564 30.300 -0.006 0.000 1.206 408 R HN 0.525 nan 8.270 nan 0.000 0.491 409 Y N 3.479 123.761 120.300 -0.031 0.000 2.426 409 Y HA 0.301 4.850 4.550 -0.001 0.000 0.325 409 Y C -1.722 174.171 175.900 -0.011 0.000 0.989 409 Y CA -2.485 55.600 58.100 -0.024 0.000 1.284 409 Y CB 1.391 39.861 38.460 0.016 0.000 1.104 409 Y HN 0.361 nan 8.280 nan 0.000 0.481 410 P HA -0.173 nan 4.420 nan 0.000 0.218 410 P C 0.664 177.816 177.300 -0.248 0.000 1.149 410 P CA 1.436 64.411 63.100 -0.207 0.000 0.817 410 P CB 0.716 32.288 31.700 -0.212 0.000 0.785 411 E N 0.763 120.628 120.200 -0.558 0.000 2.048 411 E HA -0.158 4.191 4.350 -0.001 0.000 0.202 411 E C 2.379 178.913 176.600 -0.110 0.000 1.021 411 E CA 2.011 58.156 56.400 -0.425 0.000 0.825 411 E CB -1.682 27.559 29.700 -0.764 0.000 0.756 411 E HN 0.356 nan 8.360 nan 0.000 0.454 412 G N 1.056 109.859 108.800 0.004 0.000 2.625 412 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.214 412 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.214 412 G C 0.156 175.274 174.900 0.363 0.000 1.132 412 G CA 0.213 45.479 45.100 0.276 0.000 0.782 412 G HN 0.127 nan 8.290 nan 0.000 0.538 413 D N -0.297 120.245 120.400 0.236 0.000 2.371 413 D HA 0.418 5.058 4.640 -0.001 0.000 0.242 413 D C 0.140 176.723 176.300 0.472 0.000 1.218 413 D CA 0.363 54.511 54.000 0.247 0.000 0.945 413 D CB 0.958 41.861 40.800 0.172 0.000 1.137 413 D HN 0.498 nan 8.370 nan 0.000 0.464 414 W N -1.100 120.333 121.300 0.222 0.000 3.002 414 W HA 0.535 5.194 4.660 -0.001 0.000 0.346 414 W C -2.512 174.005 176.519 -0.005 0.000 1.158 414 W CA -0.797 56.632 57.345 0.141 0.000 1.150 414 W CB 0.213 29.724 29.460 0.085 0.000 1.446 414 W HN 0.183 nan 8.180 nan 0.000 0.564 415 I N 2.528 123.206 120.570 0.181 0.000 2.607 415 I HA 0.278 4.447 4.170 -0.001 0.000 0.290 415 I C -0.332 175.900 176.117 0.191 0.000 1.129 415 I CA -1.036 60.252 61.300 -0.020 0.000 1.042 415 I CB 2.170 39.965 38.000 -0.342 0.000 1.242 415 I HN 0.535 nan 8.210 nan 0.000 0.421 416 Q N 3.713 123.642 119.800 0.215 0.000 2.306 416 Q HA 0.389 4.729 4.340 -0.001 0.000 0.269 416 Q C -0.630 175.458 176.000 0.147 0.000 1.053 416 Q CA -0.985 54.954 55.803 0.227 0.000 0.879 416 Q CB 2.338 31.291 28.738 0.358 0.000 1.344 416 Q HN 0.534 nan 8.270 nan 0.000 0.464 417 N N 1.105 119.881 118.700 0.126 0.000 2.488 417 N HA -0.016 4.724 4.740 -0.001 0.000 0.274 417 N C 0.929 176.525 175.510 0.145 0.000 1.111 417 N CA -0.088 53.020 53.050 0.098 0.000 0.974 417 N CB 0.850 39.377 38.487 0.066 0.000 1.089 417 N HN 0.677 nan 8.380 nan 0.000 0.465 418 I N 5.014 125.650 120.570 0.110 0.000 2.161 418 I HA -0.456 3.714 4.170 -0.001 0.000 0.246 418 I C 1.582 177.791 176.117 0.153 0.000 1.048 418 I CA 1.834 63.200 61.300 0.110 0.000 1.314 418 I CB -0.396 37.642 38.000 0.064 0.000 1.014 418 I HN 0.638 nan 8.210 nan 0.000 0.418 419 N N 0.378 119.159 118.700 0.135 0.000 2.184 419 N HA -0.282 4.457 4.740 -0.001 0.000 0.190 419 N C 0.806 176.468 175.510 0.253 0.000 1.011 419 N CA 1.502 54.639 53.050 0.146 0.000 0.867 419 N CB -0.499 38.045 38.487 0.096 0.000 0.993 419 N HN 0.520 nan 8.380 nan 0.000 0.433 420 F N 0.944 120.934 119.950 0.066 0.000 2.695 420 F HA -0.242 4.284 4.527 -0.001 0.000 0.305 420 F C -0.786 175.073 175.800 0.099 0.000 1.044 420 F CA -0.130 57.925 58.000 0.092 0.000 1.049 420 F CB -1.377 37.689 39.000 0.110 0.000 1.267 420 F HN -0.000 nan 8.300 nan 0.000 0.828 421 N N 4.907 123.576 118.700 -0.053 0.000 2.558 421 N HA 0.512 5.251 4.740 -0.001 0.000 0.242 421 N C -0.404 175.009 175.510 -0.163 0.000 0.979 421 N CA -0.398 52.617 53.050 -0.059 0.000 0.931 421 N CB 1.218 39.704 38.487 -0.002 0.000 1.122 421 N HN 0.531 nan 8.380 nan 0.000 0.508 422 L N 0.238 121.331 121.223 -0.216 0.000 2.330 422 L HA 0.792 5.131 4.340 -0.001 0.000 0.271 422 L C -1.724 175.069 176.870 -0.129 0.000 1.013 422 L CA -1.701 52.996 54.840 -0.238 0.000 0.816 422 L CB 0.370 42.187 42.059 -0.403 0.000 1.287 422 L HN 0.187 nan 8.230 nan 0.000 0.435 423 P HA 0.014 nan 4.420 nan 0.000 0.262 423 P C -0.287 176.923 177.300 -0.150 0.000 1.182 423 P CA -0.140 62.869 63.100 -0.152 0.000 0.761 423 P CB 1.450 33.081 31.700 -0.116 0.000 0.795 424 V N 3.924 123.726 119.914 -0.186 0.000 2.529 424 V HA 0.031 4.150 4.120 -0.001 0.000 0.292 424 V C 0.520 176.547 176.094 -0.112 0.000 1.028 424 V CA 0.276 62.483 62.300 -0.154 0.000 1.074 424 V CB 0.342 32.062 31.823 -0.172 0.000 0.958 424 V HN 0.799 nan 8.190 nan 0.000 0.481 425 T N 5.669 120.177 114.554 -0.077 0.000 2.813 425 T HA 0.046 4.396 4.350 -0.001 0.000 0.297 425 T C 1.239 175.909 174.700 -0.050 0.000 1.036 425 T CA 0.455 62.521 62.100 -0.056 0.000 1.044 425 T CB 0.484 69.330 68.868 -0.037 0.000 0.993 425 T HN 0.893 nan 8.240 nan 0.000 0.535 426 N N 0.731 119.406 118.700 -0.041 0.000 2.244 426 N HA -0.122 4.617 4.740 -0.001 0.000 0.183 426 N C 1.255 176.752 175.510 -0.022 0.000 1.016 426 N CA 1.294 54.324 53.050 -0.033 0.000 0.866 426 N CB -0.066 38.404 38.487 -0.028 0.000 0.980 426 N HN 0.474 nan 8.380 nan 0.000 0.430 427 D N -0.538 119.851 120.400 -0.018 0.000 2.224 427 D HA -0.050 4.589 4.640 -0.001 0.000 0.205 427 D C 0.560 176.856 176.300 -0.007 0.000 0.965 427 D CA 0.845 54.839 54.000 -0.010 0.000 0.852 427 D CB -0.262 40.533 40.800 -0.008 0.000 0.947 427 D HN 0.527 nan 8.370 nan 0.000 0.494 428 N N -0.333 118.363 118.700 -0.008 0.000 2.280 428 N HA 0.061 4.801 4.740 -0.001 0.000 0.192 428 N C -0.132 175.387 175.510 0.014 0.000 1.109 428 N CA -0.127 52.926 53.050 0.005 0.000 0.855 428 N CB 1.688 40.178 38.487 0.006 0.000 0.974 428 N HN -0.113 nan 8.380 nan 0.000 0.482 429 V N 1.172 121.087 119.914 0.002 0.000 2.735 429 V HA 0.519 4.639 4.120 -0.001 0.000 0.310 429 V C -1.736 174.364 176.094 0.010 0.000 1.061 429 V CA -0.962 61.351 62.300 0.022 0.000 0.913 429 V CB 2.101 33.916 31.823 -0.014 0.000 1.005 429 V HN -0.072 nan 8.190 nan 0.000 0.428 430 L N 7.281 128.512 121.223 0.012 0.000 2.342 430 L HA 0.639 4.979 4.340 -0.001 0.000 0.276 430 L C -0.779 176.140 176.870 0.082 0.000 0.997 430 L CA 0.063 54.895 54.840 -0.013 0.000 0.838 430 L CB 1.062 43.034 42.059 -0.145 0.000 1.224 430 L HN 0.630 nan 8.230 nan 0.000 0.416 431 L N 5.360 126.669 121.223 0.143 0.000 2.440 431 L HA 0.596 4.935 4.340 -0.001 0.000 0.262 431 L C -1.497 175.529 176.870 0.261 0.000 1.072 431 L CA -1.787 53.187 54.840 0.223 0.000 0.798 431 L CB 0.417 42.540 42.059 0.107 0.000 1.307 431 L HN 0.339 nan 8.230 nan 0.000 0.475 432 P HA 0.013 nan 4.420 nan 0.000 0.245 432 P C 0.785 178.101 177.300 0.026 0.000 1.212 432 P CA 0.638 63.762 63.100 0.040 0.000 0.774 432 P CB 0.264 31.957 31.700 -0.013 0.000 0.999 433 T N -2.172 112.411 114.554 0.049 0.000 3.044 433 T HA 0.043 4.392 4.350 -0.001 0.000 0.255 433 T C 0.537 175.252 174.700 0.024 0.000 1.073 433 T CA 0.336 62.451 62.100 0.024 0.000 1.125 433 T CB -0.292 68.587 68.868 0.018 0.000 0.908 433 T HN 0.087 nan 8.240 nan 0.000 0.480 434 D N 3.084 123.511 120.400 0.045 0.000 2.351 434 D HA 0.247 4.886 4.640 -0.001 0.000 0.251 434 D C -2.540 173.780 176.300 0.034 0.000 1.137 434 D CA -1.669 52.353 54.000 0.036 0.000 0.879 434 D CB 0.979 41.806 40.800 0.043 0.000 1.181 434 D HN 0.128 nan 8.370 nan 0.000 0.448 435 P HA 0.168 nan 4.420 nan 0.000 0.271 435 P C -0.336 176.971 177.300 0.012 0.000 1.218 435 P CA -0.290 62.813 63.100 0.004 0.000 0.780 435 P CB 0.832 32.528 31.700 -0.006 0.000 0.901 436 I N 1.245 121.819 120.570 0.007 0.000 2.646 436 I HA 0.347 4.517 4.170 -0.001 0.000 0.299 436 I C 1.524 177.643 176.117 0.004 0.000 1.036 436 I CA -0.403 60.906 61.300 0.015 0.000 1.074 436 I CB 0.668 38.684 38.000 0.027 0.000 1.258 436 I HN 0.704 nan 8.210 nan 0.000 0.430 437 G N 3.976 112.781 108.800 0.009 0.000 2.196 437 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.268 437 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.268 437 G C 1.056 175.954 174.900 -0.003 0.000 0.975 437 G CA 0.824 45.927 45.100 0.005 0.000 0.648 437 G HN 1.801 nan 8.290 nan 0.000 0.538 438 G N -1.725 107.071 108.800 -0.006 0.000 2.175 438 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.244 438 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.244 438 G C 0.294 175.179 174.900 -0.026 0.000 0.982 438 G CA 0.862 45.955 45.100 -0.013 0.000 0.641 438 G HN 0.950 nan 8.290 nan 0.000 0.527 439 K N 1.214 121.596 120.400 -0.030 0.000 2.234 439 K HA 0.536 4.856 4.320 -0.001 0.000 0.282 439 K C 1.499 178.076 176.600 -0.039 0.000 1.039 439 K CA 0.111 56.370 56.287 -0.045 0.000 0.928 439 K CB 1.069 33.539 32.500 -0.050 0.000 1.039 439 K HN 0.118 nan 8.250 nan 0.000 0.470 440 T N 1.061 115.589 114.554 -0.043 0.000 2.788 440 T HA -0.115 4.235 4.350 -0.001 0.000 0.268 440 T C 1.567 176.247 174.700 -0.034 0.000 1.044 440 T CA 1.847 63.927 62.100 -0.034 0.000 1.139 440 T CB 0.049 68.896 68.868 -0.035 0.000 0.867 440 T HN 0.784 nan 8.240 nan 0.000 0.454 441 G N 0.405 109.179 108.800 -0.043 0.000 2.985 441 G HA2 0.263 4.222 3.960 -0.001 0.000 0.209 441 G HA3 0.263 4.222 3.960 -0.001 0.000 0.209 441 G C 0.260 175.126 174.900 -0.056 0.000 1.165 441 G CA -0.174 44.900 45.100 -0.043 0.000 0.776 441 G HN 0.332 nan 8.290 nan 0.000 0.541 442 I N 1.723 122.258 120.570 -0.058 0.000 2.378 442 I HA 0.328 4.497 4.170 -0.001 0.000 0.291 442 I C -0.690 175.388 176.117 -0.064 0.000 0.992 442 I CA -1.248 60.006 61.300 -0.077 0.000 1.154 442 I CB 1.131 39.093 38.000 -0.063 0.000 1.315 442 I HN 0.207 nan 8.210 nan 0.000 0.448 443 N N 4.340 122.982 118.700 -0.097 0.000 2.545 443 N HA 0.252 4.992 4.740 -0.001 0.000 0.289 443 N C 0.717 176.175 175.510 -0.087 0.000 1.279 443 N CA -0.770 52.239 53.050 -0.068 0.000 0.824 443 N CB 0.597 39.032 38.487 -0.087 0.000 1.395 443 N HN 0.529 nan 8.380 nan 0.000 0.526 444 Y N -1.201 119.057 120.300 -0.071 0.000 2.165 444 Y HA -0.152 4.397 4.550 -0.001 0.000 0.286 444 Y C 2.100 177.939 175.900 -0.101 0.000 1.155 444 Y CA 1.911 59.950 58.100 -0.102 0.000 1.164 444 Y CB -1.235 37.126 38.460 -0.164 0.000 0.978 444 Y HN 0.644 nan 8.280 nan 0.000 0.513 445 T N -1.760 112.103 114.554 -1.152 0.000 3.025 445 T HA -0.186 4.164 4.350 -0.001 0.000 0.270 445 T C 1.562 176.203 174.700 -0.100 0.000 1.126 445 T CA 1.370 63.044 62.100 -0.710 0.000 1.105 445 T CB -0.697 67.865 68.868 -0.510 0.000 0.884 445 T HN 0.500 nan 8.240 nan 0.000 0.522 446 N N 1.209 119.757 118.700 -0.253 0.000 2.467 446 N HA 0.110 4.850 4.740 -0.001 0.000 0.184 446 N C 1.251 176.678 175.510 -0.139 0.000 1.106 446 N CA 0.846 53.644 53.050 -0.421 0.000 0.892 446 N CB 0.063 38.269 38.487 -0.468 0.000 0.969 446 N HN 0.853 nan 8.380 nan 0.000 0.454 447 I N -4.424 116.161 120.570 0.024 0.000 4.026 447 I HA 0.323 4.493 4.170 -0.001 0.000 0.324 447 I C -0.703 175.559 176.117 0.242 0.000 1.474 447 I CA -0.567 60.794 61.300 0.102 0.000 1.107 447 I CB -0.152 37.898 38.000 0.083 0.000 1.345 447 I HN -0.321 nan 8.210 nan 0.000 0.531 448 F N 3.535 123.527 119.950 0.070 0.000 2.420 448 F HA 0.517 5.043 4.527 -0.001 0.000 0.352 448 F C -0.044 175.814 175.800 0.098 0.000 1.108 448 F CA -0.851 57.220 58.000 0.118 0.000 1.162 448 F CB 0.694 39.777 39.000 0.138 0.000 1.118 448 F HN 0.126 nan 8.300 nan 0.000 0.510 449 N N 3.291 121.925 118.700 -0.109 0.000 2.399 449 N HA 0.198 4.937 4.740 -0.001 0.000 0.280 449 N C -0.288 175.030 175.510 -0.320 0.000 1.008 449 N CA -0.136 52.832 53.050 -0.136 0.000 0.894 449 N CB 1.626 40.135 38.487 0.037 0.000 1.273 449 N HN 0.663 nan 8.380 nan 0.000 0.486 450 T N 0.190 114.583 114.554 -0.269 0.000 3.228 450 T HA 0.102 4.452 4.350 -0.001 0.000 0.278 450 T C 0.208 174.938 174.700 0.049 0.000 1.014 450 T CA -0.299 61.663 62.100 -0.230 0.000 0.904 450 T CB -0.696 67.993 68.868 -0.298 0.000 1.110 450 T HN 0.388 nan 8.240 nan 0.000 0.541 451 Y N 2.364 122.687 120.300 0.040 0.000 2.537 451 Y HA 0.548 5.097 4.550 -0.001 0.000 0.339 451 Y C 0.437 176.315 175.900 -0.036 0.000 1.066 451 Y CA -0.597 57.526 58.100 0.039 0.000 1.357 451 Y CB -0.100 38.380 38.460 0.034 0.000 1.175 451 Y HN 0.404 nan 8.280 nan 0.000 0.525 452 G N 6.359 114.877 108.800 -0.470 0.000 2.695 452 G HA2 0.342 4.301 3.960 -0.001 0.000 0.290 452 G HA3 0.342 4.301 3.960 -0.001 0.000 0.290 452 G C -2.201 172.436 174.900 -0.439 0.000 1.410 452 G CA -1.415 43.422 45.100 -0.438 0.000 0.844 452 G HN 0.306 nan 8.290 nan 0.000 0.478 453 P HA -0.206 nan 4.420 nan 0.000 0.226 453 P C 1.453 178.650 177.300 -0.172 0.000 1.154 453 P CA 1.291 64.258 63.100 -0.222 0.000 0.901 453 P CB 0.157 31.771 31.700 -0.142 0.000 0.788 454 L N -1.209 119.927 121.223 -0.145 0.000 2.645 454 L HA 0.079 4.418 4.340 -0.001 0.000 0.235 454 L C 0.915 177.737 176.870 -0.081 0.000 1.150 454 L CA 0.080 54.861 54.840 -0.098 0.000 0.911 454 L CB -1.142 40.868 42.059 -0.080 0.000 1.077 454 L HN -0.106 nan 8.230 nan 0.000 0.438 455 T N 1.157 115.647 114.554 -0.105 0.000 2.907 455 T HA 0.548 4.898 4.350 -0.001 0.000 0.298 455 T C 0.204 174.911 174.700 0.011 0.000 1.017 455 T CA -0.254 61.836 62.100 -0.017 0.000 1.118 455 T CB 1.462 70.362 68.868 0.053 0.000 0.948 455 T HN 0.308 nan 8.240 nan 0.000 0.531 456 A N 3.432 126.270 122.820 0.031 0.000 2.422 456 A HA 0.883 5.202 4.320 -0.001 0.000 0.302 456 A C -0.845 176.765 177.584 0.044 0.000 1.041 456 A CA -0.884 51.168 52.037 0.024 0.000 0.708 456 A CB 0.919 19.920 19.000 0.003 0.000 1.257 456 A HN 0.913 nan 8.150 nan 0.000 0.414 457 L N -0.681 120.565 121.223 0.038 0.000 2.765 457 L HA 0.708 5.047 4.340 -0.001 0.000 0.263 457 L C -1.249 175.646 176.870 0.042 0.000 1.068 457 L CA -1.308 53.564 54.840 0.053 0.000 0.903 457 L CB 1.591 43.687 42.059 0.063 0.000 1.512 457 L HN 0.518 nan 8.230 nan 0.000 0.404 458 N N 0.651 119.385 118.700 0.056 0.000 2.471 458 N HA 0.354 5.094 4.740 -0.001 0.000 0.288 458 N C -1.269 174.269 175.510 0.045 0.000 1.220 458 N CA -0.674 52.406 53.050 0.050 0.000 0.893 458 N CB 1.220 39.747 38.487 0.067 0.000 1.256 458 N HN 0.647 nan 8.380 nan 0.000 0.534 459 N N 0.715 119.435 118.700 0.033 0.000 2.530 459 N HA 0.093 4.832 4.740 -0.001 0.000 0.277 459 N C -0.157 175.373 175.510 0.034 0.000 1.168 459 N CA -0.362 52.701 53.050 0.022 0.000 0.979 459 N CB 0.913 39.398 38.487 -0.004 0.000 1.141 459 N HN 0.369 nan 8.380 nan 0.000 0.459 460 V N 1.894 121.832 119.914 0.039 0.000 2.790 460 V HA 0.159 4.278 4.120 -0.001 0.000 0.304 460 V C -2.090 174.023 176.094 0.032 0.000 1.142 460 V CA -0.919 61.409 62.300 0.047 0.000 1.282 460 V CB -0.331 31.525 31.823 0.055 0.000 0.877 460 V HN 0.623 nan 8.190 nan 0.000 0.504 461 P HA 0.469 nan 4.420 nan 0.000 0.282 461 P C -2.904 174.397 177.300 0.001 0.000 1.259 461 P CA -2.271 60.851 63.100 0.036 0.000 0.826 461 P CB 0.591 32.352 31.700 0.101 0.000 1.064 462 P HA 0.078 nan 4.420 nan 0.000 0.271 462 P C -0.490 176.729 177.300 -0.134 0.000 1.220 462 P CA 0.222 63.332 63.100 0.016 0.000 0.768 462 P CB 0.229 31.833 31.700 -0.160 0.000 0.848 463 V N 5.173 125.011 119.914 -0.127 0.000 2.217 463 V HA 0.134 4.253 4.120 -0.001 0.000 0.264 463 V C -0.153 175.839 176.094 -0.171 0.000 1.107 463 V CA -0.684 61.501 62.300 -0.192 0.000 0.913 463 V CB -1.005 30.626 31.823 -0.319 0.000 1.153 463 V HN 0.458 nan 8.190 nan 0.000 0.469 464 Y N 7.914 127.894 120.300 -0.533 0.000 2.425 464 Y HA 0.371 4.920 4.550 -0.001 0.000 0.331 464 Y C -1.725 173.981 175.900 -0.324 0.000 1.157 464 Y CA -1.506 56.148 58.100 -0.743 0.000 1.372 464 Y CB 1.597 39.021 38.460 -1.727 0.000 1.253 464 Y HN 0.375 nan 8.280 nan 0.000 0.536 465 P HA 0.238 nan 4.420 nan 0.000 0.298 465 P C -1.105 175.925 177.300 -0.451 0.000 1.802 465 P CA 0.015 62.354 63.100 -1.269 0.000 1.331 465 P CB 0.408 30.989 31.700 -1.864 0.000 1.699 466 N N -0.687 117.884 118.700 -0.215 0.000 2.166 466 N HA 0.081 4.821 4.740 -0.001 0.000 0.213 466 N C 1.069 176.595 175.510 0.027 0.000 1.222 466 N CA 0.044 53.061 53.050 -0.055 0.000 0.900 466 N CB 1.123 39.522 38.487 -0.147 0.000 1.055 466 N HN 0.169 nan 8.380 nan 0.000 0.515 467 G N 0.757 109.575 108.800 0.030 0.000 2.569 467 G HA2 0.129 4.089 3.960 -0.001 0.000 0.249 467 G HA3 0.129 4.089 3.960 -0.001 0.000 0.249 467 G C -0.027 174.961 174.900 0.146 0.000 1.216 467 G CA -0.111 45.108 45.100 0.198 0.000 0.845 467 G HN 0.062 nan 8.290 nan 0.000 0.568 468 Q N -0.532 119.329 119.800 0.102 0.000 2.382 468 Q HA 0.375 4.714 4.340 -0.001 0.000 0.229 468 Q C 0.693 176.580 176.000 -0.189 0.000 1.006 468 Q CA -0.441 55.311 55.803 -0.084 0.000 0.916 468 Q CB 1.032 29.754 28.738 -0.027 0.000 1.235 468 Q HN 0.543 nan 8.270 nan 0.000 0.512 469 I N -0.595 119.726 120.570 -0.414 0.000 3.341 469 I HA 0.115 4.284 4.170 -0.001 0.000 0.243 469 I C -0.062 176.075 176.117 0.034 0.000 1.094 469 I CA -0.028 61.051 61.300 -0.368 0.000 1.507 469 I CB 0.177 37.827 38.000 -0.584 0.000 1.441 469 I HN 0.642 nan 8.210 nan 0.000 0.465 470 W N 0.594 121.861 121.300 -0.056 0.000 2.647 470 W HA 0.714 5.373 4.660 -0.001 0.000 0.353 470 W C -1.261 175.344 176.519 0.144 0.000 1.080 470 W CA -0.778 56.584 57.345 0.028 0.000 1.208 470 W CB 0.480 29.857 29.460 -0.139 0.000 1.396 470 W HN -0.153 nan 8.180 nan 0.000 0.573 471 D N 0.815 121.426 120.400 0.352 0.000 2.756 471 D HA 0.241 4.880 4.640 -0.001 0.000 0.226 471 D C -1.361 175.085 176.300 0.243 0.000 1.186 471 D CA -0.862 53.346 54.000 0.347 0.000 0.845 471 D CB 2.097 43.151 40.800 0.423 0.000 1.610 471 D HN 0.483 nan 8.370 nan 0.000 0.465 472 K N 1.793 122.190 120.400 -0.005 0.000 2.270 472 K HA 0.246 4.566 4.320 -0.001 0.000 0.276 472 K C -0.247 176.469 176.600 0.192 0.000 1.023 472 K CA -0.438 55.756 56.287 -0.155 0.000 0.955 472 K CB 0.941 32.977 32.500 -0.774 0.000 0.975 472 K HN 0.344 nan 8.250 nan 0.000 0.471 473 E N 2.756 123.055 120.200 0.165 0.000 2.366 473 E HA 0.096 4.446 4.350 -0.001 0.000 0.266 473 E C -1.064 175.790 176.600 0.422 0.000 1.051 473 E CA -0.288 56.297 56.400 0.309 0.000 0.884 473 E CB 0.332 30.117 29.700 0.142 0.000 1.006 473 E HN 0.317 nan 8.360 nan 0.000 0.417 474 F N 2.235 122.298 119.950 0.188 0.000 2.538 474 F HA 0.062 4.589 4.527 -0.001 0.000 0.371 474 F C 1.014 176.855 175.800 0.068 0.000 1.087 474 F CA -0.137 57.923 58.000 0.099 0.000 1.250 474 F CB 0.403 39.447 39.000 0.073 0.000 1.110 474 F HN 0.441 nan 8.300 nan 0.000 0.570 475 D N 2.151 122.643 120.400 0.154 0.000 2.845 475 D HA 0.078 4.717 4.640 -0.001 0.000 0.235 475 D C -0.059 176.301 176.300 0.100 0.000 1.158 475 D CA -0.036 54.024 54.000 0.100 0.000 0.990 475 D CB -0.302 40.526 40.800 0.048 0.000 1.094 475 D HN 0.506 nan 8.370 nan 0.000 0.486 476 T N -2.678 111.965 114.554 0.148 0.000 2.932 476 T HA 0.305 4.655 4.350 -0.001 0.000 0.289 476 T C 0.847 175.603 174.700 0.093 0.000 1.039 476 T CA -0.880 61.294 62.100 0.124 0.000 1.024 476 T CB 1.685 70.659 68.868 0.177 0.000 1.090 476 T HN -0.145 nan 8.240 nan 0.000 0.496 477 D N 0.411 120.851 120.400 0.068 0.000 2.317 477 D HA 0.110 4.750 4.640 -0.001 0.000 0.211 477 D C 0.292 176.622 176.300 0.050 0.000 0.966 477 D CA 0.787 54.818 54.000 0.052 0.000 0.876 477 D CB 0.192 41.015 40.800 0.039 0.000 0.927 477 D HN 0.436 nan 8.370 nan 0.000 0.519 478 L N 1.469 122.726 121.223 0.057 0.000 2.372 478 L HA 0.325 4.664 4.340 -0.001 0.000 0.273 478 L C -0.054 176.848 176.870 0.053 0.000 0.989 478 L CA -0.725 54.143 54.840 0.047 0.000 0.841 478 L CB 2.000 44.082 42.059 0.039 0.000 1.225 478 L HN -0.363 nan 8.230 nan 0.000 0.414 479 K N 3.067 123.494 120.400 0.046 0.000 2.095 479 K HA 0.619 4.938 4.320 -0.001 0.000 0.252 479 K C -2.350 174.244 176.600 -0.010 0.000 0.977 479 K CA -1.731 54.578 56.287 0.038 0.000 0.900 479 K CB 0.928 33.469 32.500 0.067 0.000 1.060 479 K HN 0.308 nan 8.250 nan 0.000 0.449 480 P HA 0.133 nan 4.420 nan 0.000 0.272 480 P C -0.297 176.985 177.300 -0.030 0.000 1.230 480 P CA -0.275 62.773 63.100 -0.087 0.000 0.788 480 P CB 0.727 32.308 31.700 -0.197 0.000 0.949 481 R N 0.311 120.788 120.500 -0.039 0.000 2.307 481 R HA 0.188 4.527 4.340 -0.001 0.000 0.199 481 R C 0.649 176.940 176.300 -0.015 0.000 1.000 481 R CA 0.430 56.516 56.100 -0.023 0.000 1.023 481 R CB -0.492 29.790 30.300 -0.029 0.000 0.908 481 R HN 0.525 nan 8.270 nan 0.000 0.473 482 L N -4.879 116.345 121.223 0.002 0.000 2.866 482 L HA 0.415 4.754 4.340 -0.001 0.000 0.262 482 L C -1.434 175.522 176.870 0.142 0.000 0.986 482 L CA -1.141 53.722 54.840 0.039 0.000 0.925 482 L CB 1.695 43.761 42.059 0.011 0.000 1.484 482 L HN -0.121 nan 8.230 nan 0.000 0.414 483 H N 0.464 119.510 119.070 -0.041 0.000 2.463 483 H HA 0.466 5.021 4.556 -0.001 0.000 0.332 483 H C 0.526 175.855 175.328 0.000 0.000 1.127 483 H CA -0.498 55.531 56.048 -0.031 0.000 1.238 483 H CB 2.755 32.534 29.762 0.028 0.000 1.478 483 H HN 0.662 nan 8.280 nan 0.000 0.499 484 V N 0.276 120.248 119.914 0.096 0.000 3.633 484 V HA -0.036 4.083 4.120 -0.001 0.000 0.283 484 V C 1.030 177.178 176.094 0.091 0.000 1.305 484 V CA 0.588 62.931 62.300 0.073 0.000 1.153 484 V CB -0.520 31.324 31.823 0.035 0.000 0.950 484 V HN 0.764 nan 8.190 nan 0.000 0.432 485 N N 1.190 119.966 118.700 0.128 0.000 2.332 485 N HA 0.345 5.084 4.740 -0.001 0.000 0.190 485 N C 0.397 176.002 175.510 0.159 0.000 1.117 485 N CA 0.743 53.873 53.050 0.134 0.000 0.883 485 N CB 1.224 39.786 38.487 0.126 0.000 1.089 485 N HN 0.594 nan 8.380 nan 0.000 0.480 486 A N 0.861 123.786 122.820 0.175 0.000 2.449 486 A HA 0.658 4.978 4.320 -0.001 0.000 0.302 486 A C -2.269 175.366 177.584 0.086 0.000 1.048 486 A CA -1.278 50.849 52.037 0.149 0.000 0.708 486 A CB 2.063 21.165 19.000 0.170 0.000 1.274 486 A HN -0.140 nan 8.150 nan 0.000 0.410 487 P HA 0.069 nan 4.420 nan 0.000 0.220 487 P C -0.301 176.772 177.300 -0.378 0.000 1.152 487 P CA 1.077 64.063 63.100 -0.190 0.000 0.812 487 P CB 0.076 31.632 31.700 -0.241 0.000 0.792 488 F N -1.319 118.714 119.950 0.137 0.000 2.480 488 F HA 0.437 4.964 4.527 -0.001 0.000 0.329 488 F C -0.065 175.768 175.800 0.056 0.000 1.091 488 F CA -1.210 56.836 58.000 0.076 0.000 0.972 488 F CB 1.532 40.557 39.000 0.041 0.000 1.150 488 F HN -0.489 nan 8.300 nan 0.000 0.467 489 V N 1.553 121.583 119.914 0.193 0.000 2.462 489 V HA 0.173 4.292 4.120 -0.001 0.000 0.288 489 V C -0.720 175.440 176.094 0.110 0.000 1.020 489 V CA -1.293 61.044 62.300 0.062 0.000 0.857 489 V CB 1.062 32.761 31.823 -0.207 0.000 1.013 489 V HN 0.930 nan 8.190 nan 0.000 0.431 490 c N 4.093 122.807 118.600 0.190 0.000 2.517 490 c HA 0.047 4.617 4.570 -0.001 0.000 0.403 490 c C 2.004 176.164 174.090 0.116 0.000 1.467 490 c CA -0.133 56.318 56.329 0.203 0.000 1.542 490 c CB -1.005 41.677 42.510 0.286 0.000 2.482 490 c HN 0.971 nan 8.230 nan 0.000 0.610 491 Q N 2.680 122.536 119.800 0.092 0.000 1.990 491 Q HA -0.150 4.190 4.340 -0.001 0.000 0.200 491 Q C 1.739 177.771 176.000 0.053 0.000 0.980 491 Q CA 1.824 57.662 55.803 0.057 0.000 0.832 491 Q CB 0.012 28.774 28.738 0.041 0.000 0.897 491 Q HN 0.831 nan 8.270 nan 0.000 0.427 492 N N 0.355 119.084 118.700 0.049 0.000 2.174 492 N HA -0.065 4.674 4.740 -0.001 0.000 0.191 492 N C 0.378 175.923 175.510 0.058 0.000 1.059 492 N CA 0.493 53.563 53.050 0.033 0.000 0.889 492 N CB 0.030 38.514 38.487 -0.005 0.000 1.069 492 N HN -0.014 nan 8.380 nan 0.000 0.461 493 N N -0.658 118.097 118.700 0.092 0.000 2.225 493 N HA 0.343 5.082 4.740 -0.001 0.000 0.298 493 N C -1.706 173.962 175.510 0.263 0.000 1.076 493 N CA -0.562 52.565 53.050 0.129 0.000 0.792 493 N CB 1.524 40.080 38.487 0.115 0.000 1.498 493 N HN 0.220 nan 8.380 nan 0.000 0.474 494 c N 2.583 121.271 118.600 0.146 0.000 2.382 494 c HA 0.562 5.132 4.570 -0.001 0.000 0.363 494 c C -1.887 172.066 174.090 -0.230 0.000 1.213 494 c CA -1.016 55.354 56.329 0.068 0.000 2.363 494 c CB 0.795 43.353 42.510 0.080 0.000 2.397 494 c HN 0.666 nan 8.230 nan 0.000 0.573 495 P HA 0.108 nan 4.420 nan 0.000 0.267 495 P C 0.078 177.247 177.300 -0.219 0.000 1.195 495 P CA 0.678 63.144 63.100 -1.056 0.000 0.773 495 P CB 0.322 31.485 31.700 -0.896 0.000 0.837 496 G N 1.115 109.831 108.800 -0.140 0.000 2.580 496 G HA2 0.239 4.198 3.960 -0.001 0.000 0.278 496 G HA3 0.239 4.198 3.960 -0.001 0.000 0.278 496 G C -0.749 174.136 174.900 -0.026 0.000 1.212 496 G CA -0.364 44.724 45.100 -0.019 0.000 0.939 496 G HN 0.449 nan 8.290 nan 0.000 0.513 497 Q N -1.262 118.467 119.800 -0.117 0.000 2.235 497 Q HA 0.461 4.801 4.340 -0.001 0.000 0.250 497 Q C -0.810 174.769 176.000 -0.701 0.000 0.909 497 Q CA -0.577 54.975 55.803 -0.418 0.000 0.910 497 Q CB 1.876 30.250 28.738 -0.606 0.000 1.223 497 Q HN 0.355 nan 8.270 nan 0.000 0.432 498 L N 3.785 124.605 121.223 -0.672 0.000 2.280 498 L HA 0.508 4.847 4.340 -0.001 0.000 0.287 498 L C -1.772 174.698 176.870 -0.667 0.000 1.023 498 L CA 0.062 54.591 54.840 -0.518 0.000 0.819 498 L CB 0.358 42.315 42.059 -0.169 0.000 1.212 498 L HN 0.440 nan 8.230 nan 0.000 0.420 499 F N 4.992 124.847 119.950 -0.158 0.000 2.480 499 F HA 0.738 5.264 4.527 -0.001 0.000 0.329 499 F C 0.247 176.158 175.800 0.184 0.000 1.091 499 F CA -0.828 57.142 58.000 -0.050 0.000 0.972 499 F CB 1.795 40.645 39.000 -0.250 0.000 1.150 499 F HN 0.376 nan 8.300 nan 0.000 0.467 500 V N 0.064 120.255 119.914 0.462 0.000 3.001 500 V HA 0.828 4.947 4.120 -0.001 0.000 0.314 500 V C -1.071 175.169 176.094 0.244 0.000 1.099 500 V CA -1.021 61.487 62.300 0.346 0.000 0.989 500 V CB 2.075 34.032 31.823 0.225 0.000 1.040 500 V HN 0.880 nan 8.190 nan 0.000 0.434 501 K N 1.789 122.152 120.400 -0.061 0.000 2.580 501 K HA 0.489 4.808 4.320 -0.001 0.000 0.258 501 K C -1.852 174.582 176.600 -0.277 0.000 0.936 501 K CA -0.643 55.427 56.287 -0.362 0.000 0.852 501 K CB 2.442 34.237 32.500 -1.175 0.000 1.329 501 K HN 0.749 nan 8.250 nan 0.000 0.430 502 V N 3.390 123.194 119.914 -0.185 0.000 2.446 502 V HA 0.169 4.288 4.120 -0.001 0.000 0.276 502 V C 0.853 176.851 176.094 -0.160 0.000 1.030 502 V CA 0.016 62.240 62.300 -0.128 0.000 1.033 502 V CB 0.330 32.100 31.823 -0.090 0.000 0.993 502 V HN 0.841 nan 8.190 nan 0.000 0.477 503 A N 8.268 131.011 122.820 -0.128 0.000 2.561 503 A HA 0.341 4.660 4.320 -0.001 0.000 0.234 503 A C -1.948 175.579 177.584 -0.095 0.000 1.055 503 A CA -0.752 51.218 52.037 -0.113 0.000 0.756 503 A CB -0.515 18.444 19.000 -0.068 0.000 0.986 503 A HN 0.747 nan 8.150 nan 0.000 0.505 504 P HA 0.032 nan 4.420 nan 0.000 0.261 504 P C -0.441 176.815 177.300 -0.074 0.000 1.183 504 P CA 0.269 63.323 63.100 -0.078 0.000 0.761 504 P CB 0.286 31.939 31.700 -0.078 0.000 0.785 505 N N 3.644 122.309 118.700 -0.060 0.000 3.112 505 N HA 0.176 4.915 4.740 -0.001 0.000 0.270 505 N C -0.462 175.019 175.510 -0.049 0.000 1.385 505 N CA -0.306 52.713 53.050 -0.052 0.000 0.986 505 N CB -0.412 38.053 38.487 -0.037 0.000 1.261 505 N HN 0.283 nan 8.380 nan 0.000 0.495 506 L N 0.443 121.617 121.223 -0.083 0.000 2.529 506 L HA 0.021 4.360 4.340 -0.001 0.000 0.287 506 L C 1.743 178.592 176.870 -0.035 0.000 1.241 506 L CA 0.156 54.944 54.840 -0.088 0.000 0.857 506 L CB -0.044 41.891 42.059 -0.207 0.000 1.113 506 L HN 0.388 nan 8.230 nan 0.000 0.504 507 T N -1.861 112.696 114.554 0.005 0.000 2.973 507 T HA 0.106 4.455 4.350 -0.001 0.000 0.308 507 T C 1.008 175.724 174.700 0.027 0.000 1.177 507 T CA -0.117 61.994 62.100 0.019 0.000 0.938 507 T CB 0.350 69.239 68.868 0.036 0.000 1.791 507 T HN 0.740 nan 8.240 nan 0.000 0.581 508 N N -0.191 118.529 118.700 0.035 0.000 2.353 508 N HA 0.013 4.753 4.740 -0.001 0.000 0.185 508 N C -0.073 175.475 175.510 0.063 0.000 1.098 508 N CA 0.011 53.084 53.050 0.038 0.000 0.872 508 N CB 0.102 38.605 38.487 0.027 0.000 0.970 508 N HN 0.701 nan 8.380 nan 0.000 0.467 509 E N -0.054 120.193 120.200 0.078 0.000 2.158 509 E HA 0.343 4.693 4.350 -0.001 0.000 0.271 509 E C -1.880 174.826 176.600 0.177 0.000 0.911 509 E CA -0.613 55.843 56.400 0.092 0.000 0.767 509 E CB 1.637 31.371 29.700 0.056 0.000 1.120 509 E HN 0.245 nan 8.360 nan 0.000 0.405 510 Y N 1.980 122.283 120.300 0.006 0.000 2.393 510 Y HA 0.190 4.740 4.550 -0.001 0.000 0.320 510 Y C -2.227 173.678 175.900 0.008 0.000 1.241 510 Y CA -0.809 57.295 58.100 0.007 0.000 1.122 510 Y CB 1.572 40.037 38.460 0.008 0.000 1.322 510 Y HN 0.519 nan 8.280 nan 0.000 0.441 511 D N 8.434 128.467 120.400 -0.612 0.000 2.479 511 D HA 0.407 5.046 4.640 -0.001 0.000 0.246 511 D C -2.081 173.865 176.300 -0.591 0.000 1.336 511 D CA -1.833 51.900 54.000 -0.445 0.000 0.967 511 D CB 2.131 42.814 40.800 -0.195 0.000 1.275 511 D HN 0.270 nan 8.370 nan 0.000 0.577 512 P HA -0.130 nan 4.420 nan 0.000 0.216 512 P C 0.442 177.645 177.300 -0.163 0.000 1.150 512 P CA 0.833 63.738 63.100 -0.326 0.000 0.837 512 P CB 0.360 32.023 31.700 -0.061 0.000 0.786 513 D N 0.283 120.611 120.400 -0.120 0.000 2.411 513 D HA 0.031 4.671 4.640 -0.001 0.000 0.226 513 D C 0.892 177.149 176.300 -0.071 0.000 0.988 513 D CA 0.637 54.596 54.000 -0.069 0.000 0.938 513 D CB -0.022 40.750 40.800 -0.046 0.000 0.883 513 D HN 0.255 nan 8.370 nan 0.000 0.525 514 A N 0.167 122.924 122.820 -0.105 0.000 2.325 514 A HA 0.365 4.685 4.320 -0.001 0.000 0.333 514 A C 1.307 178.851 177.584 -0.067 0.000 1.155 514 A CA -0.430 51.557 52.037 -0.082 0.000 0.814 514 A CB 1.269 20.211 19.000 -0.096 0.000 1.206 514 A HN 0.040 nan 8.150 nan 0.000 0.482 515 S N 1.505 117.179 115.700 -0.043 0.000 2.423 515 S HA 0.120 4.589 4.470 -0.001 0.000 0.231 515 S C 1.107 175.691 174.600 -0.027 0.000 1.014 515 S CA 0.682 58.864 58.200 -0.030 0.000 0.965 515 S CB -0.627 62.560 63.200 -0.023 0.000 0.785 515 S HN 1.659 nan 8.310 nan 0.000 0.495 516 A N 2.127 124.927 122.820 -0.034 0.000 2.546 516 A HA 0.221 4.540 4.320 -0.001 0.000 0.243 516 A C 0.288 177.862 177.584 -0.018 0.000 1.063 516 A CA -0.346 51.676 52.037 -0.026 0.000 0.757 516 A CB -0.562 18.420 19.000 -0.029 0.000 0.991 516 A HN 0.616 nan 8.150 nan 0.000 0.503 517 N N 1.786 120.485 118.700 -0.002 0.000 2.411 517 N HA 0.194 4.934 4.740 -0.001 0.000 0.261 517 N C 0.760 176.288 175.510 0.029 0.000 1.248 517 N CA 0.150 53.209 53.050 0.015 0.000 0.885 517 N CB 0.256 38.751 38.487 0.014 0.000 1.062 517 N HN 0.811 nan 8.380 nan 0.000 0.471 518 M N 1.522 121.160 119.600 0.064 0.000 2.206 518 M HA 0.046 4.526 4.480 -0.001 0.000 0.288 518 M C -0.306 176.051 176.300 0.095 0.000 1.126 518 M CA 0.263 55.636 55.300 0.122 0.000 1.152 518 M CB 0.412 33.172 32.600 0.267 0.000 1.383 518 M HN 0.358 nan 8.290 nan 0.000 0.437 519 S N 0.979 116.746 115.700 0.112 0.000 2.561 519 S HA 0.727 5.196 4.470 -0.001 0.000 0.303 519 S C -0.888 173.751 174.600 0.065 0.000 1.110 519 S CA -1.132 57.109 58.200 0.069 0.000 1.034 519 S CB 1.743 64.975 63.200 0.054 0.000 1.010 519 S HN 0.879 nan 8.310 nan 0.000 0.482 520 R N 1.498 122.021 120.500 0.038 0.000 2.902 520 R HA 0.637 4.977 4.340 -0.001 0.000 0.258 520 R C -0.544 175.765 176.300 0.016 0.000 1.071 520 R CA -0.977 55.134 56.100 0.019 0.000 1.024 520 R CB 1.056 31.358 30.300 0.004 0.000 1.184 520 R HN 0.615 nan 8.270 nan 0.000 0.492 521 I N 1.170 121.745 120.570 0.008 0.000 2.519 521 I HA 0.096 4.265 4.170 -0.001 0.000 0.287 521 I C 0.117 176.246 176.117 0.020 0.000 1.047 521 I CA -0.700 60.607 61.300 0.013 0.000 1.381 521 I CB 1.286 39.288 38.000 0.005 0.000 1.417 521 I HN 0.184 nan 8.210 nan 0.000 0.540 522 V N 5.306 125.243 119.914 0.037 0.000 2.529 522 V HA 0.092 4.211 4.120 -0.001 0.000 0.292 522 V C 0.248 176.385 176.094 0.073 0.000 1.028 522 V CA 0.592 62.930 62.300 0.063 0.000 1.074 522 V CB 0.399 32.276 31.823 0.089 0.000 0.958 522 V HN 0.806 nan 8.190 nan 0.000 0.481 523 T N 5.411 120.005 114.554 0.067 0.000 3.109 523 T HA 0.531 4.881 4.350 -0.001 0.000 0.311 523 T C -0.866 173.866 174.700 0.053 0.000 1.011 523 T CA -0.463 61.651 62.100 0.023 0.000 1.026 523 T CB 1.068 69.916 68.868 -0.033 0.000 1.047 523 T HN 0.623 nan 8.240 nan 0.000 0.448 524 Y N 0.553 120.829 120.300 -0.040 0.000 2.675 524 Y HA 0.919 5.468 4.550 -0.001 0.000 0.328 524 Y C -0.025 175.793 175.900 -0.136 0.000 1.092 524 Y CA -1.315 56.715 58.100 -0.117 0.000 1.190 524 Y CB 1.353 39.736 38.460 -0.128 0.000 1.350 524 Y HN 0.613 nan 8.280 nan 0.000 0.525 525 S N 0.046 115.684 115.700 -0.104 0.000 2.547 525 S HA 0.487 4.956 4.470 -0.001 0.000 0.270 525 S C -2.396 172.098 174.600 -0.176 0.000 1.150 525 S CA -0.810 57.289 58.200 -0.170 0.000 0.850 525 S CB 1.513 64.667 63.200 -0.077 0.000 1.118 525 S HN 0.780 nan 8.310 nan 0.000 0.461 526 D N 2.242 122.576 120.400 -0.109 0.000 2.671 526 D HA 0.738 5.377 4.640 -0.001 0.000 0.232 526 D C -0.935 175.328 176.300 -0.062 0.000 1.114 526 D CA -0.067 53.818 54.000 -0.192 0.000 0.858 526 D CB 1.763 42.522 40.800 -0.069 0.000 1.544 526 D HN 0.487 nan 8.370 nan 0.000 0.471 527 F N -1.943 117.930 119.950 -0.128 0.000 2.713 527 F HA 0.669 5.195 4.527 -0.001 0.000 0.311 527 F C -1.914 173.759 175.800 -0.212 0.000 1.141 527 F CA -1.504 56.455 58.000 -0.069 0.000 0.939 527 F CB 0.613 39.616 39.000 0.005 0.000 1.325 527 F HN 0.179 nan 8.300 nan 0.000 0.453 528 W N 1.071 122.444 121.300 0.121 0.000 2.516 528 W HA 0.591 5.250 4.660 -0.001 0.000 0.343 528 W C -1.293 175.355 176.519 0.213 0.000 1.094 528 W CA -0.367 56.933 57.345 -0.076 0.000 1.250 528 W CB 1.457 30.395 29.460 -0.871 0.000 1.308 528 W HN 0.767 nan 8.180 nan 0.000 0.588 529 W N 3.689 125.224 121.300 0.392 0.000 2.915 529 W HA 0.587 5.247 4.660 -0.001 0.000 0.337 529 W C -1.437 175.342 176.519 0.433 0.000 1.102 529 W CA -1.549 56.039 57.345 0.406 0.000 1.224 529 W CB 1.388 31.039 29.460 0.319 0.000 1.416 529 W HN 0.241 nan 8.180 nan 0.000 0.503 530 K N 4.577 124.528 120.400 -0.748 0.000 2.581 530 K HA 0.600 4.919 4.320 -0.001 0.000 0.249 530 K C -0.609 175.362 176.600 -1.049 0.000 0.966 530 K CA -0.554 55.226 56.287 -0.846 0.000 0.811 530 K CB 1.240 33.605 32.500 -0.226 0.000 1.223 530 K HN 0.744 nan 8.250 nan 0.000 0.438 531 G N 2.103 110.248 108.800 -1.090 0.000 2.735 531 G HA2 0.519 4.478 3.960 -0.001 0.000 0.301 531 G HA3 0.519 4.478 3.960 -0.001 0.000 0.301 531 G C -1.430 173.624 174.900 0.257 0.000 1.279 531 G CA -0.540 44.468 45.100 -0.153 0.000 1.019 531 G HN 0.425 nan 8.290 nan 0.000 0.497 532 K N 0.190 120.903 120.400 0.523 0.000 2.729 532 K HA 0.306 4.626 4.320 -0.001 0.000 0.269 532 K C -2.001 174.704 176.600 0.176 0.000 1.065 532 K CA -0.662 55.831 56.287 0.344 0.000 1.000 532 K CB 1.512 34.066 32.500 0.091 0.000 1.283 532 K HN 0.328 nan 8.250 nan 0.000 0.491 533 L N 4.616 125.739 121.223 -0.167 0.000 2.295 533 L HA 0.487 4.827 4.340 -0.001 0.000 0.285 533 L C -1.319 175.439 176.870 -0.185 0.000 1.035 533 L CA -0.409 54.099 54.840 -0.554 0.000 0.806 533 L CB 1.706 42.811 42.059 -1.590 0.000 1.214 533 L HN 0.364 nan 8.230 nan 0.000 0.426 534 V N 6.361 126.156 119.914 -0.199 0.000 2.380 534 V HA 0.427 4.547 4.120 -0.001 0.000 0.286 534 V C -0.396 175.680 176.094 -0.030 0.000 1.015 534 V CA -0.459 61.828 62.300 -0.022 0.000 0.834 534 V CB 0.833 32.615 31.823 -0.068 0.000 1.009 534 V HN 0.515 nan 8.190 nan 0.000 0.428 535 F N 2.681 122.598 119.950 -0.055 0.000 2.410 535 F HA 0.663 5.190 4.527 -0.001 0.000 0.324 535 F C 0.423 176.210 175.800 -0.022 0.000 1.093 535 F CA -1.389 56.595 58.000 -0.026 0.000 1.028 535 F CB 1.037 40.075 39.000 0.065 0.000 1.309 535 F HN 0.298 nan 8.300 nan 0.000 0.499 536 K N 0.918 121.463 120.400 0.241 0.000 2.640 536 K HA 0.761 5.081 4.320 -0.001 0.000 0.245 536 K C -1.554 175.202 176.600 0.260 0.000 0.962 536 K CA -0.419 55.955 56.287 0.144 0.000 0.896 536 K CB 1.199 33.701 32.500 0.003 0.000 1.147 536 K HN 0.781 nan 8.250 nan 0.000 0.445 537 A N 3.334 126.287 122.820 0.221 0.000 2.248 537 A HA 0.582 4.902 4.320 -0.001 0.000 0.316 537 A C -0.958 176.612 177.584 -0.022 0.000 1.101 537 A CA -0.688 51.439 52.037 0.149 0.000 0.875 537 A CB 0.972 19.979 19.000 0.013 0.000 1.207 537 A HN 0.756 nan 8.150 nan 0.000 0.504 538 K N 0.816 120.935 120.400 -0.467 0.000 2.345 538 K HA 0.599 4.918 4.320 -0.001 0.000 0.255 538 K C -1.016 175.306 176.600 -0.462 0.000 0.934 538 K CA -0.503 55.206 56.287 -0.963 0.000 0.801 538 K CB 0.949 32.407 32.500 -1.738 0.000 1.137 538 K HN 0.636 nan 8.250 nan 0.000 0.424 539 L N 3.934 124.966 121.223 -0.319 0.000 2.482 539 L HA 0.223 4.562 4.340 -0.001 0.000 0.273 539 L C 0.815 177.582 176.870 -0.172 0.000 1.228 539 L CA -0.083 54.658 54.840 -0.164 0.000 0.827 539 L CB 0.352 42.367 42.059 -0.072 0.000 1.099 539 L HN 0.784 nan 8.230 nan 0.000 0.494 540 R N 1.429 121.854 120.500 -0.126 0.000 2.674 540 R HA 0.836 5.175 4.340 -0.001 0.000 0.266 540 R C -1.140 175.087 176.300 -0.122 0.000 1.016 540 R CA -0.715 55.319 56.100 -0.110 0.000 1.062 540 R CB 1.616 31.858 30.300 -0.096 0.000 1.142 540 R HN 0.596 nan 8.270 nan 0.000 0.517 541 A N 1.040 123.773 122.820 -0.145 0.000 2.393 541 A HA 0.401 4.720 4.320 -0.001 0.000 0.306 541 A C -0.879 176.404 177.584 -0.502 0.000 1.050 541 A CA -0.771 51.106 52.037 -0.267 0.000 0.724 541 A CB 1.922 20.779 19.000 -0.237 0.000 1.248 541 A HN 0.725 nan 8.150 nan 0.000 0.424 542 S N 0.863 116.318 115.700 -0.408 0.000 2.481 542 S HA 0.270 4.739 4.470 -0.001 0.000 0.276 542 S C 0.393 174.720 174.600 -0.454 0.000 1.247 542 S CA -0.273 57.716 58.200 -0.351 0.000 1.053 542 S CB -0.147 62.933 63.200 -0.200 0.000 0.925 542 S HN 0.696 nan 8.310 nan 0.000 0.491 543 H N 2.792 121.862 119.070 -0.000 0.000 2.681 543 H HA 0.144 4.700 4.556 -0.001 0.000 0.268 543 H C 1.211 176.570 175.328 0.052 0.000 0.967 543 H CA 0.724 56.785 56.048 0.021 0.000 1.233 543 H CB -0.202 29.573 29.762 0.021 0.000 1.445 543 H HN 0.689 nan 8.280 nan 0.000 0.494 544 T N -1.982 112.657 114.554 0.142 0.000 2.788 544 T HA -0.036 4.313 4.350 -0.001 0.000 0.280 544 T C 1.071 175.866 174.700 0.159 0.000 0.984 544 T CA -0.813 61.379 62.100 0.153 0.000 0.972 544 T CB 1.676 70.620 68.868 0.126 0.000 1.039 544 T HN 0.378 nan 8.240 nan 0.000 0.530 545 W N 1.902 123.212 121.300 0.017 0.000 2.588 545 W HA 0.079 4.739 4.660 -0.001 0.000 0.277 545 W C 0.205 176.721 176.519 -0.005 0.000 1.221 545 W CA 0.110 57.458 57.345 0.004 0.000 1.355 545 W CB -0.183 29.282 29.460 0.008 0.000 1.083 545 W HN 0.807 nan 8.180 nan 0.000 0.581 546 N N 3.116 121.963 118.700 0.246 0.000 2.525 546 N HA 0.131 4.870 4.740 -0.001 0.000 0.271 546 N C -2.299 173.219 175.510 0.013 0.000 1.194 546 N CA -0.935 52.193 53.050 0.131 0.000 0.964 546 N CB 0.425 39.000 38.487 0.146 0.000 1.126 546 N HN -0.020 nan 8.380 nan 0.000 0.452 547 P HA 0.252 nan 4.420 nan 0.000 0.275 547 P C -0.003 177.286 177.300 -0.019 0.000 1.266 547 P CA -0.374 62.697 63.100 -0.049 0.000 0.793 547 P CB 0.933 32.596 31.700 -0.061 0.000 1.074 548 I N -3.712 116.841 120.570 -0.028 0.000 3.436 548 I HA 0.498 4.668 4.170 -0.001 0.000 0.300 548 I C 0.187 176.291 176.117 -0.020 0.000 1.131 548 I CA -1.581 59.713 61.300 -0.010 0.000 1.001 548 I CB 1.025 39.022 38.000 -0.005 0.000 1.305 548 I HN 0.241 nan 8.210 nan 0.000 0.494 549 Q N 1.180 120.974 119.800 -0.010 0.000 2.392 549 Q HA 0.235 4.574 4.340 -0.001 0.000 0.262 549 Q C -1.302 174.657 176.000 -0.068 0.000 1.003 549 Q CA -0.013 55.770 55.803 -0.034 0.000 0.888 549 Q CB 0.667 29.379 28.738 -0.044 0.000 1.260 549 Q HN 0.536 nan 8.270 nan 0.000 0.435 550 Q N 2.969 122.724 119.800 -0.075 0.000 2.284 550 Q HA 0.215 4.554 4.340 -0.001 0.000 0.269 550 Q C -1.039 174.905 176.000 -0.093 0.000 1.026 550 Q CA -0.444 55.302 55.803 -0.095 0.000 0.831 550 Q CB 1.930 30.613 28.738 -0.091 0.000 1.322 550 Q HN 0.810 nan 8.270 nan 0.000 0.419 551 M N 1.779 121.311 119.600 -0.114 0.000 2.239 551 M HA 0.264 4.744 4.480 -0.001 0.000 0.348 551 M C -0.445 175.796 176.300 -0.097 0.000 1.239 551 M CA 0.768 56.009 55.300 -0.100 0.000 1.114 551 M CB 0.524 33.054 32.600 -0.117 0.000 1.641 551 M HN 0.653 nan 8.290 nan 0.000 0.453 552 S N 4.557 120.214 115.700 -0.071 0.000 2.567 552 S HA 0.515 4.985 4.470 -0.001 0.000 0.270 552 S C -1.371 173.212 174.600 -0.029 0.000 1.152 552 S CA -0.990 57.169 58.200 -0.068 0.000 0.835 552 S CB 1.355 64.519 63.200 -0.059 0.000 1.115 552 S HN 0.821 nan 8.310 nan 0.000 0.459 553 I N 3.370 123.922 120.570 -0.030 0.000 2.440 553 I HA 0.552 4.722 4.170 -0.001 0.000 0.294 553 I C -0.813 175.309 176.117 0.010 0.000 0.995 553 I CA -0.320 61.002 61.300 0.037 0.000 1.306 553 I CB 0.735 38.749 38.000 0.023 0.000 1.407 553 I HN 0.884 nan 8.210 nan 0.000 0.501 554 N N 4.599 123.308 118.700 0.015 0.000 2.571 554 N HA 0.206 4.945 4.740 -0.001 0.000 0.273 554 N C 0.290 175.774 175.510 -0.044 0.000 1.340 554 N CA -0.550 52.490 53.050 -0.016 0.000 0.789 554 N CB 1.185 39.668 38.487 -0.007 0.000 1.514 554 N HN 0.319 nan 8.380 nan 0.000 0.499 555 V N -3.441 116.447 119.914 -0.044 0.000 3.099 555 V HA -0.138 3.982 4.120 -0.001 0.000 0.269 555 V C 0.306 176.372 176.094 -0.046 0.000 1.150 555 V CA 1.735 64.000 62.300 -0.058 0.000 1.165 555 V CB -0.799 31.013 31.823 -0.018 0.000 0.756 555 V HN 0.576 nan 8.190 nan 0.000 0.527 556 D N 1.456 121.840 120.400 -0.026 0.000 2.262 556 D HA -0.043 4.596 4.640 -0.001 0.000 0.212 556 D C 2.101 178.392 176.300 -0.015 0.000 0.964 556 D CA 1.661 55.659 54.000 -0.003 0.000 0.875 556 D CB -0.251 40.555 40.800 0.009 0.000 0.996 556 D HN 0.857 nan 8.370 nan 0.000 0.497 557 N N 0.483 119.163 118.700 -0.033 0.000 2.356 557 N HA -0.082 4.657 4.740 -0.001 0.000 0.178 557 N C 1.717 177.126 175.510 -0.169 0.000 1.075 557 N CA -0.045 52.960 53.050 -0.075 0.000 0.889 557 N CB -0.021 38.465 38.487 -0.001 0.000 0.999 557 N HN -0.018 nan 8.380 nan 0.000 0.464 558 Q N 0.606 120.303 119.800 -0.173 0.000 2.293 558 Q HA -0.216 4.123 4.340 -0.001 0.000 0.218 558 Q C 0.044 175.753 176.000 -0.484 0.000 1.015 558 Q CA 1.894 57.488 55.803 -0.349 0.000 0.941 558 Q CB -0.257 28.104 28.738 -0.628 0.000 0.979 558 Q HN 0.490 nan 8.270 nan 0.000 0.416 559 F N -0.301 119.629 119.950 -0.033 0.000 2.730 559 F HA 0.259 4.786 4.527 -0.001 0.000 0.295 559 F C 0.803 176.543 175.800 -0.100 0.000 1.143 559 F CA -0.059 57.923 58.000 -0.030 0.000 1.367 559 F CB 0.106 39.104 39.000 -0.002 0.000 0.970 559 F HN 0.140 nan 8.300 nan 0.000 0.514 560 N N -1.256 117.303 118.700 -0.234 0.000 2.254 560 N HA 0.001 4.740 4.740 -0.001 0.000 0.190 560 N C -0.207 175.108 175.510 -0.325 0.000 1.107 560 N CA 0.270 53.102 53.050 -0.363 0.000 0.869 560 N CB 0.288 38.382 38.487 -0.656 0.000 0.983 560 N HN 0.185 nan 8.380 nan 0.000 0.487 561 Y N 0.483 120.881 120.300 0.162 0.000 2.699 561 Y HA 0.462 5.012 4.550 -0.001 0.000 0.282 561 Y C -0.396 175.612 175.900 0.181 0.000 1.058 561 Y CA -0.566 57.634 58.100 0.168 0.000 1.194 561 Y CB 0.258 38.785 38.460 0.112 0.000 1.193 561 Y HN -0.276 nan 8.280 nan 0.000 0.562 562 V N 1.400 121.494 119.914 0.301 0.000 3.120 562 V HA 0.477 4.596 4.120 -0.001 0.000 0.303 562 V C -2.364 173.872 176.094 0.236 0.000 1.238 562 V CA -1.810 60.648 62.300 0.264 0.000 1.008 562 V CB 3.240 35.232 31.823 0.282 0.000 1.064 562 V HN -0.022 nan 8.190 nan 0.000 0.434 563 P HA 0.386 nan 4.420 nan 0.000 0.278 563 P C -0.618 176.744 177.300 0.102 0.000 1.266 563 P CA -0.297 62.896 63.100 0.155 0.000 0.807 563 P CB 1.334 33.108 31.700 0.123 0.000 1.094 564 S N -0.090 115.653 115.700 0.072 0.000 2.632 564 S HA 0.095 4.565 4.470 -0.001 0.000 0.271 564 S C 1.294 175.900 174.600 0.010 0.000 1.260 564 S CA -0.665 57.551 58.200 0.026 0.000 1.010 564 S CB 0.130 63.341 63.200 0.017 0.000 0.965 564 S HN 0.594 nan 8.310 nan 0.000 0.534 565 N N 0.915 119.608 118.700 -0.013 0.000 2.651 565 N HA -0.136 4.603 4.740 -0.001 0.000 0.193 565 N C 0.666 176.171 175.510 -0.008 0.000 1.149 565 N CA 0.681 53.722 53.050 -0.013 0.000 0.933 565 N CB -0.379 38.093 38.487 -0.025 0.000 0.974 565 N HN 0.596 nan 8.380 nan 0.000 0.448 566 I N -0.961 119.608 120.570 -0.003 0.000 3.790 566 I HA 0.212 4.381 4.170 -0.001 0.000 0.305 566 I C 1.625 177.744 176.117 0.005 0.000 1.253 566 I CA 0.808 62.107 61.300 -0.002 0.000 1.355 566 I CB -0.569 37.429 38.000 -0.003 0.000 1.137 566 I HN 0.368 nan 8.210 nan 0.000 0.435 567 G N 0.821 109.631 108.800 0.017 0.000 2.151 567 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.140 567 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.140 567 G C 0.676 175.604 174.900 0.048 0.000 1.020 567 G CA -0.267 44.852 45.100 0.032 0.000 0.688 567 G HN 0.614 nan 8.290 nan 0.000 0.500 568 G N -0.361 108.463 108.800 0.040 0.000 2.483 568 G HA2 0.605 4.565 3.960 -0.001 0.000 0.248 568 G HA3 0.605 4.565 3.960 -0.001 0.000 0.248 568 G C 0.014 174.966 174.900 0.086 0.000 1.248 568 G CA 0.127 45.251 45.100 0.041 0.000 0.838 568 G HN 0.267 nan 8.290 nan 0.000 0.566 569 M N 0.142 119.792 119.600 0.082 0.000 2.683 569 M HA 0.566 5.046 4.480 -0.001 0.000 0.274 569 M C -0.673 175.762 176.300 0.225 0.000 1.272 569 M CA -0.693 54.717 55.300 0.183 0.000 0.833 569 M CB 2.736 35.450 32.600 0.191 0.000 1.708 569 M HN 0.850 nan 8.290 nan 0.000 0.463 570 K N 0.219 120.831 120.400 0.354 0.000 2.622 570 K HA 0.606 4.925 4.320 -0.001 0.000 0.273 570 K C -2.138 174.664 176.600 0.338 0.000 0.957 570 K CA -0.705 55.795 56.287 0.355 0.000 0.861 570 K CB 1.198 33.845 32.500 0.244 0.000 1.405 570 K HN 0.621 nan 8.250 nan 0.000 0.406 571 I N 2.976 123.725 120.570 0.298 0.000 2.355 571 I HA 0.281 4.451 4.170 -0.001 0.000 0.288 571 I C -0.437 175.808 176.117 0.213 0.000 0.999 571 I CA -1.398 60.045 61.300 0.240 0.000 1.163 571 I CB 1.850 39.932 38.000 0.138 0.000 1.316 571 I HN 0.368 nan 8.210 nan 0.000 0.454 572 V N 6.012 126.056 119.914 0.217 0.000 2.465 572 V HA 0.133 4.252 4.120 -0.001 0.000 0.279 572 V C -0.144 176.041 176.094 0.152 0.000 1.045 572 V CA -0.823 61.589 62.300 0.187 0.000 0.938 572 V CB 0.403 32.287 31.823 0.102 0.000 0.986 572 V HN 0.596 nan 8.190 nan 0.000 0.467 573 Y N 3.191 123.389 120.300 -0.170 0.000 2.702 573 Y HA 0.433 4.982 4.550 -0.001 0.000 0.336 573 Y C -0.001 175.820 175.900 -0.130 0.000 1.235 573 Y CA -0.363 57.545 58.100 -0.320 0.000 1.492 573 Y CB 0.205 38.009 38.460 -1.093 0.000 1.308 573 Y HN 0.658 nan 8.280 nan 0.000 0.589 574 E N 3.283 123.348 120.200 -0.226 0.000 2.277 574 E HA 0.361 4.710 4.350 -0.001 0.000 0.266 574 E C -0.777 175.775 176.600 -0.079 0.000 0.901 574 E CA -1.172 55.095 56.400 -0.221 0.000 0.782 574 E CB 1.795 31.520 29.700 0.042 0.000 1.228 574 E HN 0.593 nan 8.360 nan 0.000 0.424 575 K N 0.536 120.890 120.400 -0.077 0.000 2.118 575 K HA 0.274 4.593 4.320 -0.001 0.000 0.264 575 K C 0.771 177.516 176.600 0.242 0.000 1.000 575 K CA -0.213 56.144 56.287 0.116 0.000 0.929 575 K CB 1.008 33.532 32.500 0.039 0.000 1.021 575 K HN 0.567 nan 8.250 nan 0.000 0.463 576 S N 0.002 115.885 115.700 0.304 0.000 2.603 576 S HA 0.040 4.509 4.470 -0.001 0.000 0.232 576 S C 0.267 174.891 174.600 0.040 0.000 1.016 576 S CA -0.382 57.949 58.200 0.218 0.000 0.976 576 S CB 0.241 63.656 63.200 0.359 0.000 0.921 576 S HN 0.570 nan 8.310 nan 0.000 0.516 577 Q N 1.316 121.134 119.800 0.030 0.000 2.647 577 Q HA 0.378 4.717 4.340 -0.001 0.000 0.400 577 Q C -0.032 175.895 176.000 -0.121 0.000 0.959 577 Q CA -0.395 55.409 55.803 0.001 0.000 1.079 577 Q CB 0.658 29.462 28.738 0.110 0.000 1.351 577 Q HN 0.192 nan 8.270 nan 0.000 0.411 578 L N 0.712 121.813 121.223 -0.203 0.000 1.990 578 L HA -0.153 4.187 4.340 -0.001 0.000 0.213 578 L C 1.133 177.976 176.870 -0.045 0.000 1.072 578 L CA 1.810 56.473 54.840 -0.295 0.000 0.755 578 L CB -0.750 41.181 42.059 -0.213 0.000 0.889 578 L HN 0.395 nan 8.230 nan 0.000 0.432 579 A N 0.437 123.294 122.820 0.062 0.000 2.340 579 A HA 0.483 4.803 4.320 -0.001 0.000 0.268 579 A C -2.180 175.484 177.584 0.134 0.000 1.100 579 A CA -1.088 51.017 52.037 0.114 0.000 0.803 579 A CB -0.382 18.636 19.000 0.030 0.000 1.043 579 A HN 0.093 nan 8.150 nan 0.000 0.488 580 P HA 0.468 nan 4.420 nan 0.000 0.277 580 P C -0.970 176.293 177.300 -0.062 0.000 1.271 580 P CA -0.349 62.591 63.100 -0.267 0.000 0.795 580 P CB 0.802 32.471 31.700 -0.052 0.000 1.101 581 R N -1.344 119.131 120.500 -0.042 0.000 2.579 581 R HA 0.372 4.711 4.340 -0.001 0.000 0.260 581 R C -1.142 175.129 176.300 -0.047 0.000 1.103 581 R CA -0.995 55.099 56.100 -0.009 0.000 0.942 581 R CB 0.930 31.221 30.300 -0.014 0.000 1.251 581 R HN 0.154 nan 8.270 nan 0.000 0.450 582 K N 2.872 123.249 120.400 -0.038 0.000 2.484 582 K HA -0.006 4.314 4.320 -0.001 0.000 0.280 582 K C 0.555 177.090 176.600 -0.107 0.000 1.013 582 K CA 0.034 56.267 56.287 -0.090 0.000 1.029 582 K CB 0.915 33.378 32.500 -0.061 0.000 0.902 582 K HN 0.590 nan 8.250 nan 0.000 0.481 583 L N 3.587 124.717 121.223 -0.157 0.000 2.253 583 L HA 0.102 4.442 4.340 -0.001 0.000 0.205 583 L C -0.015 176.870 176.870 0.025 0.000 1.078 583 L CA 0.754 55.541 54.840 -0.088 0.000 0.805 583 L CB 0.321 42.293 42.059 -0.145 0.000 0.963 583 L HN 0.714 nan 8.230 nan 0.000 0.459 584 Y N 0.000 120.212 120.300 -0.147 0.000 2.660 584 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 584 Y CA 0.000 58.039 58.100 -0.102 0.000 1.940 584 Y CB 0.000 38.403 38.460 -0.094 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758