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 2wyc_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNAIAVGSER SADGKGMLLA NPHFPWNGAM RFYQMHLTIP GRLDVMGASL DATA SEQUENCE PGLPVVNIGF SRHLAWTHTV DTSSHFTLYR LALDPKDPRR YLVDGRSLPL DATA SEQUENCE EEKSVAIEVR GADGKLSRVE HKVYQSIYGP LVVWPGKLDW NRSEAYALRD DATA SEQUENCE ANLENTRVLQ QWYSINQASD VADLRRRVEA LQGIPWVNTL AADEQGNALY DATA SEQUENCE MNQSVVPYLK PELIPAcAIP QLVAEGLPAL QGQDSRcAWS RDPAAAQAGI DATA SEQUENCE TPAAQLPVLL RRDFVQNSND SAWLTNPASP LQGFSPLVSQ EKPIGPRARY DATA SEQUENCE ALSRLQGKQP LEAKTLEEMV TANHVFSADQ VLPDLLRLcR DNQGEKSLAR DATA SEQUENCE AcAALAQWDR GANLDSGSGF VYFQRFMQRF AELDGAWKEP FDAQRPLDTP DATA SEQUENCE QGIALDRPQV ATQVRQALAD AAAEVEKSGI PDGARWGDLQ VSTRGQERIA DATA SEQUENCE IPGGDGHFGV YNAIQSVRKG DHLEVVGGTS YIQLVTFPEE GPKARGLLAF DATA SEQUENCE SQSSDPRSPH YRDQTELFSR QQWQTLPFSD RQIDADPQLQ RLSIRE 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.313 174.600 -0.479 0.000 1.055 1 S CA 0.000 57.844 58.200 -0.593 0.000 1.107 1 S CB 0.000 63.082 63.200 -0.196 0.000 0.593 2 N N 0.867 119.215 118.700 -0.586 0.000 2.292 2 N HA 0.855 5.594 4.740 -0.001 0.000 0.303 2 N C -0.993 174.418 175.510 -0.165 0.000 1.140 2 N CA -0.666 52.177 53.050 -0.345 0.000 0.788 2 N CB 2.092 40.153 38.487 -0.709 0.000 1.361 2 N HN 0.829 nan 8.380 nan 0.000 0.489 3 A N 1.105 123.920 122.820 -0.009 0.000 2.488 3 A HA 0.704 5.023 4.320 -0.001 0.000 0.295 3 A C -1.274 176.378 177.584 0.114 0.000 1.045 3 A CA -0.562 51.498 52.037 0.038 0.000 0.703 3 A CB 0.868 19.898 19.000 0.051 0.000 1.271 3 A HN 0.578 nan 8.150 nan 0.000 0.400 4 I N 1.633 122.267 120.570 0.106 0.000 2.499 4 I HA 0.617 4.786 4.170 -0.001 0.000 0.288 4 I C 0.232 176.411 176.117 0.103 0.000 1.048 4 I CA -0.577 60.793 61.300 0.116 0.000 1.062 4 I CB 2.200 40.250 38.000 0.083 0.000 1.238 4 I HN 0.775 nan 8.210 nan 0.000 0.426 5 A N 6.405 129.309 122.820 0.140 0.000 2.303 5 A HA 0.839 5.158 4.320 -0.001 0.000 0.320 5 A C -0.750 176.928 177.584 0.157 0.000 1.192 5 A CA -0.523 51.594 52.037 0.134 0.000 0.821 5 A CB 1.245 20.329 19.000 0.140 0.000 1.188 5 A HN 0.435 nan 8.150 nan 0.000 0.492 6 V N 2.166 122.157 119.914 0.128 0.000 2.513 6 V HA 0.748 4.868 4.120 -0.001 0.000 0.299 6 V C 0.916 177.077 176.094 0.111 0.000 1.035 6 V CA 0.043 62.421 62.300 0.131 0.000 0.889 6 V CB 1.640 33.514 31.823 0.084 0.000 0.988 6 V HN 1.143 nan 8.190 nan 0.000 0.440 7 G N 1.430 110.291 108.800 0.101 0.000 2.753 7 G HA2 0.457 4.417 3.960 -0.001 0.000 0.285 7 G HA3 0.457 4.417 3.960 -0.001 0.000 0.285 7 G C 1.016 175.949 174.900 0.056 0.000 1.344 7 G CA 0.275 45.416 45.100 0.069 0.000 1.050 7 G HN 0.821 nan 8.290 nan 0.000 0.532 8 S N -1.143 114.580 115.700 0.037 0.000 2.419 8 S HA -0.125 4.345 4.470 -0.001 0.000 0.233 8 S C 1.540 176.155 174.600 0.025 0.000 1.016 8 S CA 1.781 59.998 58.200 0.029 0.000 0.974 8 S CB -0.237 62.972 63.200 0.015 0.000 0.786 8 S HN 0.658 nan 8.310 nan 0.000 0.492 9 E N 0.252 120.467 120.200 0.025 0.000 2.427 9 E HA 0.102 4.452 4.350 -0.001 0.000 0.196 9 E C 1.783 178.403 176.600 0.032 0.000 1.028 9 E CA 0.294 56.707 56.400 0.022 0.000 0.864 9 E CB 0.156 29.865 29.700 0.014 0.000 0.813 9 E HN 0.310 nan 8.360 nan 0.000 0.514 10 R N -0.519 120.009 120.500 0.046 0.000 2.507 10 R HA 0.178 4.518 4.340 -0.001 0.000 0.230 10 R C 0.634 176.952 176.300 0.031 0.000 0.897 10 R CA 0.048 56.178 56.100 0.050 0.000 1.006 10 R CB 0.480 30.839 30.300 0.099 0.000 1.341 10 R HN -0.095 nan 8.270 nan 0.000 0.604 11 S N 0.533 116.254 115.700 0.035 0.000 2.576 11 S HA 0.314 4.784 4.470 -0.001 0.000 0.276 11 S C 1.351 175.959 174.600 0.013 0.000 1.339 11 S CA 0.294 58.510 58.200 0.025 0.000 1.039 11 S CB 1.371 64.597 63.200 0.043 0.000 0.902 11 S HN 0.335 nan 8.310 nan 0.000 0.516 12 A N 3.117 125.938 122.820 0.002 0.000 2.019 12 A HA -0.084 4.236 4.320 -0.001 0.000 0.219 12 A C 1.440 179.026 177.584 0.003 0.000 1.164 12 A CA 1.799 53.834 52.037 -0.005 0.000 0.644 12 A CB -0.482 18.509 19.000 -0.016 0.000 0.805 12 A HN 0.932 nan 8.150 nan 0.000 0.449 13 D N -3.215 117.193 120.400 0.014 0.000 2.398 13 D HA 0.287 4.927 4.640 -0.001 0.000 0.210 13 D C 1.138 177.455 176.300 0.029 0.000 1.094 13 D CA 0.786 54.799 54.000 0.022 0.000 0.839 13 D CB -0.547 40.270 40.800 0.029 0.000 0.963 13 D HN 0.715 nan 8.370 nan 0.000 0.506 14 G N 0.265 109.082 108.800 0.029 0.000 2.162 14 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.260 14 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.260 14 G C 0.334 175.257 174.900 0.039 0.000 0.976 14 G CA 0.531 45.648 45.100 0.029 0.000 0.655 14 G HN 0.423 nan 8.290 nan 0.000 0.533 15 K N -0.008 120.429 120.400 0.061 0.000 2.393 15 K HA 0.665 4.985 4.320 -0.001 0.000 0.241 15 K C 0.882 177.550 176.600 0.113 0.000 1.055 15 K CA -0.195 56.143 56.287 0.086 0.000 0.951 15 K CB 0.621 33.204 32.500 0.138 0.000 1.285 15 K HN 0.311 nan 8.250 nan 0.000 0.500 16 G N 0.357 109.253 108.800 0.161 0.000 2.507 16 G HA2 0.520 4.480 3.960 -0.001 0.000 0.271 16 G HA3 0.520 4.480 3.960 -0.001 0.000 0.271 16 G C -0.729 174.345 174.900 0.289 0.000 1.189 16 G CA -0.374 44.846 45.100 0.200 0.000 0.859 16 G HN 0.462 nan 8.290 nan 0.000 0.542 17 M N 0.915 120.630 119.600 0.192 0.000 2.365 17 M HA 0.600 5.080 4.480 -0.001 0.000 0.287 17 M C -2.330 174.016 176.300 0.076 0.000 1.154 17 M CA -0.869 54.489 55.300 0.098 0.000 0.941 17 M CB 2.234 34.857 32.600 0.039 0.000 1.704 17 M HN 0.492 nan 8.290 nan 0.000 0.479 18 L N 5.039 126.268 121.223 0.010 0.000 2.409 18 L HA 0.678 5.017 4.340 -0.001 0.000 0.272 18 L C -2.137 174.701 176.870 -0.054 0.000 0.980 18 L CA -0.522 54.320 54.840 0.004 0.000 0.826 18 L CB 1.981 44.052 42.059 0.020 0.000 1.268 18 L HN 0.802 nan 8.230 nan 0.000 0.407 19 L N 5.395 126.608 121.223 -0.017 0.000 2.264 19 L HA 0.855 5.194 4.340 -0.001 0.000 0.289 19 L C -0.402 176.427 176.870 -0.069 0.000 1.044 19 L CA 0.009 54.834 54.840 -0.026 0.000 0.807 19 L CB 1.253 43.352 42.059 0.067 0.000 1.192 19 L HN 0.757 nan 8.230 nan 0.000 0.425 20 A N 4.894 127.609 122.820 -0.175 0.000 2.273 20 A HA 0.454 4.774 4.320 -0.001 0.000 0.315 20 A C -0.211 177.200 177.584 -0.287 0.000 1.256 20 A CA -0.521 51.374 52.037 -0.238 0.000 0.851 20 A CB 0.081 18.885 19.000 -0.328 0.000 1.172 20 A HN 0.844 nan 8.150 nan 0.000 0.508 21 N N 4.269 122.829 118.700 -0.232 0.000 2.723 21 N HA 0.219 4.958 4.740 -0.001 0.000 0.290 21 N C -2.962 172.369 175.510 -0.298 0.000 1.882 21 N CA -1.414 51.501 53.050 -0.225 0.000 0.851 21 N CB 1.487 39.893 38.487 -0.134 0.000 1.234 21 N HN 0.371 nan 8.380 nan 0.000 0.491 22 P HA 0.034 nan 4.420 nan 0.000 0.268 22 P C -1.084 176.263 177.300 0.079 0.000 1.205 22 P CA 0.541 63.553 63.100 -0.148 0.000 0.771 22 P CB 0.694 32.346 31.700 -0.081 0.000 0.858 23 H N 1.997 121.169 119.070 0.169 0.000 2.595 23 H HA 0.489 5.044 4.556 -0.001 0.000 0.313 23 H C -0.500 175.149 175.328 0.535 0.000 1.023 23 H CA -0.453 55.774 56.048 0.298 0.000 1.218 23 H CB 0.544 30.428 29.762 0.204 0.000 1.403 23 H HN 0.317 nan 8.280 nan 0.000 0.477 24 F N 2.309 122.544 119.950 0.473 0.000 2.685 24 F HA 0.359 4.886 4.527 -0.000 0.000 0.315 24 F C -2.434 173.599 175.800 0.388 0.000 1.126 24 F CA -2.853 55.374 58.000 0.378 0.000 0.950 24 F CB 1.955 41.183 39.000 0.381 0.000 1.360 24 F HN 0.309 nan 8.300 nan 0.000 0.469 25 P HA -0.019 nan 4.420 nan 0.000 0.269 25 P C -0.170 177.256 177.300 0.210 0.000 1.215 25 P CA 0.398 63.576 63.100 0.130 0.000 0.780 25 P CB 0.481 32.109 31.700 -0.120 0.000 0.898 26 W N 1.135 122.336 121.300 -0.165 0.000 3.256 26 W HA 0.154 4.814 4.660 -0.001 0.000 0.269 26 W C 0.166 176.362 176.519 -0.539 0.000 1.310 26 W CA 0.514 57.604 57.345 -0.424 0.000 1.673 26 W CB -0.334 29.082 29.460 -0.073 0.000 1.115 26 W HN 0.279 nan 8.180 nan 0.000 0.686 27 N N -1.432 117.165 118.700 -0.171 0.000 2.610 27 N HA 0.507 5.247 4.740 -0.001 0.000 0.264 27 N C 0.229 175.643 175.510 -0.159 0.000 1.348 27 N CA 0.355 53.308 53.050 -0.162 0.000 0.819 27 N CB 1.759 40.211 38.487 -0.059 0.000 1.521 27 N HN -0.008 nan 8.380 nan 0.000 0.497 28 G N 0.351 109.071 108.800 -0.133 0.000 2.568 28 G HA2 -0.120 3.840 3.960 -0.001 0.000 0.222 28 G HA3 -0.120 3.840 3.960 -0.001 0.000 0.222 28 G C 0.424 175.241 174.900 -0.138 0.000 1.321 28 G CA 0.206 45.234 45.100 -0.120 0.000 0.893 28 G HN 0.788 nan 8.290 nan 0.000 0.569 29 A N -0.677 122.063 122.820 -0.133 0.000 2.209 29 A HA 0.415 4.735 4.320 -0.001 0.000 0.212 29 A C 1.900 179.389 177.584 -0.158 0.000 1.158 29 A CA 2.042 54.005 52.037 -0.124 0.000 0.742 29 A CB -0.345 18.597 19.000 -0.096 0.000 0.790 29 A HN 0.712 nan 8.150 nan 0.000 0.472 30 M N -0.719 118.742 119.600 -0.232 0.000 2.596 30 M HA 0.186 4.666 4.480 -0.001 0.000 0.364 30 M C 0.418 176.546 176.300 -0.287 0.000 1.158 30 M CA -0.147 54.964 55.300 -0.315 0.000 0.940 30 M CB 0.421 32.643 32.600 -0.631 0.000 1.388 30 M HN 0.235 nan 8.290 nan 0.000 0.522 31 R N 1.128 121.496 120.500 -0.220 0.000 2.242 31 R HA 0.261 4.601 4.340 -0.001 0.000 0.334 31 R C -0.930 175.385 176.300 0.025 0.000 1.071 31 R CA -0.245 55.737 56.100 -0.198 0.000 0.922 31 R CB 0.421 30.543 30.300 -0.297 0.000 1.023 31 R HN -0.023 nan 8.270 nan 0.000 0.458 32 F N 3.831 123.984 119.950 0.339 0.000 2.553 32 F HA 0.040 4.566 4.527 -0.000 0.000 0.356 32 F C 0.135 176.118 175.800 0.306 0.000 1.142 32 F CA 0.839 59.020 58.000 0.301 0.000 1.322 32 F CB 0.311 39.471 39.000 0.267 0.000 1.126 32 F HN 0.445 nan 8.300 nan 0.000 0.599 33 Y N 2.289 122.739 120.300 0.251 0.000 2.433 33 Y HA 0.328 4.878 4.550 -0.001 0.000 0.337 33 Y C -0.902 174.968 175.900 -0.050 0.000 1.026 33 Y CA -1.067 57.086 58.100 0.089 0.000 1.037 33 Y CB 1.135 39.632 38.460 0.062 0.000 1.245 33 Y HN 0.577 nan 8.280 nan 0.000 0.443 34 Q N 6.870 126.316 119.800 -0.589 0.000 2.293 34 Q HA 0.592 4.931 4.340 -0.001 0.000 0.251 34 Q C -0.677 175.036 176.000 -0.479 0.000 0.930 34 Q CA -0.374 55.113 55.803 -0.526 0.000 0.893 34 Q CB 1.520 30.005 28.738 -0.422 0.000 1.215 34 Q HN 0.762 nan 8.270 nan 0.000 0.425 35 M N -0.200 119.276 119.600 -0.206 0.000 2.643 35 M HA 0.421 4.901 4.480 -0.001 0.000 0.276 35 M C -1.921 174.412 176.300 0.056 0.000 1.200 35 M CA -0.943 54.331 55.300 -0.044 0.000 0.863 35 M CB 2.538 35.193 32.600 0.091 0.000 1.711 35 M HN 0.714 nan 8.290 nan 0.000 0.492 36 H N 2.259 121.317 119.070 -0.021 0.000 2.547 36 H HA 0.718 5.274 4.556 -0.001 0.000 0.342 36 H C -2.106 173.236 175.328 0.023 0.000 1.048 36 H CA -0.856 55.194 56.048 0.003 0.000 1.204 36 H CB 1.563 31.330 29.762 0.008 0.000 1.493 36 H HN 0.753 nan 8.280 nan 0.000 0.511 37 L N 5.172 126.502 121.223 0.179 0.000 2.333 37 L HA 0.399 4.738 4.340 -0.001 0.000 0.280 37 L C -0.581 176.308 176.870 0.032 0.000 1.004 37 L CA -0.628 54.250 54.840 0.063 0.000 0.820 37 L CB 2.022 44.170 42.059 0.149 0.000 1.247 37 L HN 0.672 nan 8.230 nan 0.000 0.416 38 T N 4.030 118.540 114.554 -0.073 0.000 2.937 38 T HA 0.559 4.908 4.350 -0.001 0.000 0.297 38 T C -0.302 174.390 174.700 -0.013 0.000 0.991 38 T CA -0.272 61.796 62.100 -0.052 0.000 0.990 38 T CB 1.675 70.442 68.868 -0.169 0.000 0.991 38 T HN 0.305 nan 8.240 nan 0.000 0.440 39 I N 4.544 125.131 120.570 0.029 0.000 2.405 39 I HA 0.295 4.464 4.170 -0.001 0.000 0.280 39 I C -2.404 173.725 176.117 0.020 0.000 1.027 39 I CA -2.521 58.797 61.300 0.030 0.000 1.161 39 I CB 1.586 39.624 38.000 0.064 0.000 1.300 39 I HN 0.257 nan 8.210 nan 0.000 0.463 40 P HA 0.037 nan 4.420 nan 0.000 0.261 40 P C 0.959 178.267 177.300 0.012 0.000 1.183 40 P CA 0.924 64.024 63.100 0.000 0.000 0.761 40 P CB 0.643 32.338 31.700 -0.009 0.000 0.785 41 G N 3.572 112.382 108.800 0.017 0.000 2.254 41 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.225 41 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.225 41 G C 0.777 175.692 174.900 0.024 0.000 1.003 41 G CA 0.363 45.475 45.100 0.021 0.000 0.622 41 G HN 0.660 nan 8.290 nan 0.000 0.507 42 R N -1.314 119.201 120.500 0.025 0.000 2.580 42 R HA 0.626 4.965 4.340 -0.001 0.000 0.285 42 R C -0.021 176.285 176.300 0.011 0.000 0.947 42 R CA 0.194 56.304 56.100 0.017 0.000 1.102 42 R CB 0.385 30.693 30.300 0.013 0.000 1.696 42 R HN 0.832 nan 8.270 nan 0.000 0.506 43 L N 1.488 122.731 121.223 0.034 0.000 2.505 43 L HA 0.581 4.921 4.340 -0.001 0.000 0.266 43 L C -2.284 174.640 176.870 0.091 0.000 0.954 43 L CA -0.225 54.644 54.840 0.048 0.000 0.852 43 L CB 2.573 44.669 42.059 0.063 0.000 1.282 43 L HN 0.161 nan 8.230 nan 0.000 0.403 44 D N 3.718 124.205 120.400 0.145 0.000 2.318 44 D HA 0.487 5.127 4.640 -0.001 0.000 0.233 44 D C -2.034 174.494 176.300 0.379 0.000 1.348 44 D CA 0.085 54.227 54.000 0.236 0.000 0.983 44 D CB 1.667 42.579 40.800 0.187 0.000 1.416 44 D HN 0.398 nan 8.370 nan 0.000 0.558 45 V N 4.421 124.565 119.914 0.384 0.000 2.932 45 V HA 0.753 4.873 4.120 -0.001 0.000 0.307 45 V C -1.512 174.683 176.094 0.168 0.000 1.147 45 V CA -0.601 61.846 62.300 0.244 0.000 0.951 45 V CB 2.027 33.995 31.823 0.242 0.000 1.031 45 V HN 0.608 nan 8.190 nan 0.000 0.426 46 M N 5.254 124.679 119.600 -0.291 0.000 2.446 46 M HA 0.860 5.340 4.480 -0.001 0.000 0.294 46 M C -0.122 175.923 176.300 -0.425 0.000 1.158 46 M CA 0.501 55.574 55.300 -0.378 0.000 0.899 46 M CB 2.105 34.313 32.600 -0.652 0.000 1.687 46 M HN 1.035 nan 8.290 nan 0.000 0.455 47 G N 2.025 110.693 108.800 -0.221 0.000 2.609 47 G HA2 0.654 4.614 3.960 -0.001 0.000 0.082 47 G HA3 0.654 4.614 3.960 -0.001 0.000 0.082 47 G C -2.107 172.445 174.900 -0.579 0.000 1.075 47 G CA 0.065 44.998 45.100 -0.279 0.000 1.172 47 G HN 1.091 nan 8.290 nan 0.000 0.532 48 A N -1.077 121.331 122.820 -0.687 0.000 2.539 48 A HA 0.937 5.257 4.320 -0.001 0.000 0.296 48 A C -0.544 177.007 177.584 -0.054 0.000 1.073 48 A CA 0.241 51.934 52.037 -0.573 0.000 0.700 48 A CB 1.627 19.903 19.000 -1.207 0.000 1.296 48 A HN 1.517 nan 8.150 nan 0.000 0.405 49 S N -0.271 115.546 115.700 0.196 0.000 2.651 49 S HA 0.697 5.166 4.470 -0.001 0.000 0.279 49 S C -0.773 173.937 174.600 0.184 0.000 1.148 49 S CA -0.609 57.714 58.200 0.205 0.000 0.837 49 S CB 1.214 64.477 63.200 0.105 0.000 1.138 49 S HN 0.638 nan 8.310 nan 0.000 0.478 50 L N 1.837 123.049 121.223 -0.019 0.000 2.399 50 L HA 0.428 4.768 4.340 -0.001 0.000 0.266 50 L C -2.390 174.441 176.870 -0.066 0.000 1.114 50 L CA -2.278 52.493 54.840 -0.115 0.000 0.804 50 L CB 0.286 42.245 42.059 -0.167 0.000 1.146 50 L HN 0.324 nan 8.230 nan 0.000 0.451 51 P HA 0.028 nan 4.420 nan 0.000 0.261 51 P C 0.650 177.900 177.300 -0.083 0.000 1.183 51 P CA 0.837 63.881 63.100 -0.094 0.000 0.761 51 P CB 0.591 32.232 31.700 -0.099 0.000 0.785 52 G N 2.263 111.009 108.800 -0.090 0.000 2.195 52 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.246 52 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.246 52 G C -0.155 174.714 174.900 -0.051 0.000 0.984 52 G CA -0.403 44.656 45.100 -0.069 0.000 0.633 52 G HN 0.464 nan 8.290 nan 0.000 0.525 53 L N 1.768 122.963 121.223 -0.048 0.000 2.264 53 L HA 0.423 4.763 4.340 -0.001 0.000 0.289 53 L C -1.508 175.355 176.870 -0.012 0.000 1.044 53 L CA -1.874 52.946 54.840 -0.032 0.000 0.807 53 L CB 1.514 43.541 42.059 -0.054 0.000 1.192 53 L HN -0.048 nan 8.230 nan 0.000 0.425 54 P HA 0.116 nan 4.420 nan 0.000 0.228 54 P C -0.627 176.690 177.300 0.028 0.000 1.764 54 P CA 0.056 63.151 63.100 -0.007 0.000 0.929 54 P CB 0.107 31.778 31.700 -0.048 0.000 1.675 55 V N -3.861 116.101 119.914 0.080 0.000 3.159 55 V HA 0.527 4.647 4.120 -0.001 0.000 0.308 55 V C -0.435 175.763 176.094 0.175 0.000 1.190 55 V CA -1.233 61.177 62.300 0.182 0.000 1.037 55 V CB 2.047 34.024 31.823 0.255 0.000 1.060 55 V HN -0.254 nan 8.190 nan 0.000 0.437 56 V N 2.638 122.713 119.914 0.268 0.000 2.461 56 V HA 0.307 4.426 4.120 -0.001 0.000 0.275 56 V C 0.931 177.238 176.094 0.355 0.000 1.047 56 V CA 0.248 62.704 62.300 0.260 0.000 0.955 56 V CB 0.440 32.441 31.823 0.297 0.000 0.988 56 V HN 1.029 nan 8.190 nan 0.000 0.471 57 N N 3.594 122.380 118.700 0.144 0.000 2.305 57 N HA 0.275 5.015 4.740 -0.001 0.000 0.179 57 N C 0.012 175.797 175.510 0.458 0.000 1.019 57 N CA 0.553 53.612 53.050 0.015 0.000 0.869 57 N CB 0.357 38.725 38.487 -0.197 0.000 1.000 57 N HN 0.542 nan 8.380 nan 0.000 0.431 58 I N 0.165 120.769 120.570 0.057 0.000 2.466 58 I HA 0.532 4.701 4.170 -0.001 0.000 0.289 58 I C 0.035 175.737 176.117 -0.692 0.000 1.026 58 I CA -0.658 60.393 61.300 -0.415 0.000 1.078 58 I CB 2.072 39.920 38.000 -0.252 0.000 1.249 58 I HN 0.080 nan 8.210 nan 0.000 0.429 59 G N 5.126 113.036 108.800 -1.483 0.000 2.500 59 G HA2 0.672 4.632 3.960 -0.001 0.000 0.299 59 G HA3 0.672 4.632 3.960 -0.001 0.000 0.299 59 G C -1.777 172.771 174.900 -0.587 0.000 1.242 59 G CA -0.473 44.115 45.100 -0.852 0.000 0.859 59 G HN 0.548 nan 8.290 nan 0.000 0.481 60 F N -0.744 119.031 119.950 -0.292 0.000 2.713 60 F HA 0.878 5.405 4.527 -0.001 0.000 0.311 60 F C -0.151 175.597 175.800 -0.087 0.000 1.141 60 F CA -0.526 57.417 58.000 -0.095 0.000 0.939 60 F CB 1.443 40.297 39.000 -0.243 0.000 1.325 60 F HN 1.052 nan 8.300 nan 0.000 0.453 61 S N 0.669 116.407 115.700 0.063 0.000 2.998 61 S HA 0.475 4.944 4.470 -0.001 0.000 0.323 61 S C 0.677 175.293 174.600 0.027 0.000 1.141 61 S CA -0.555 57.602 58.200 -0.073 0.000 0.873 61 S CB 1.586 64.871 63.200 0.142 0.000 1.315 61 S HN 1.068 nan 8.310 nan 0.000 0.637 62 R N 0.210 120.764 120.500 0.090 0.000 2.103 62 R HA -0.123 4.216 4.340 -0.001 0.000 0.242 62 R C 0.869 177.080 176.300 -0.149 0.000 1.142 62 R CA 1.983 58.070 56.100 -0.021 0.000 0.960 62 R CB -0.383 29.797 30.300 -0.201 0.000 0.858 62 R HN 0.768 nan 8.270 nan 0.000 0.439 63 H N -1.799 117.342 119.070 0.119 0.000 3.058 63 H HA 0.225 4.781 4.556 -0.001 0.000 0.266 63 H C -0.649 174.449 175.328 -0.384 0.000 1.135 63 H CA -0.208 55.726 56.048 -0.189 0.000 1.174 63 H CB 0.866 30.537 29.762 -0.152 0.000 1.581 63 H HN 0.088 nan 8.280 nan 0.000 0.553 64 L N 0.903 122.220 121.223 0.158 0.000 2.445 64 L HA 0.729 5.069 4.340 -0.001 0.000 0.262 64 L C -1.476 175.718 176.870 0.541 0.000 0.974 64 L CA -0.786 54.209 54.840 0.259 0.000 0.822 64 L CB 2.015 44.199 42.059 0.208 0.000 1.339 64 L HN 0.019 nan 8.230 nan 0.000 0.409 65 A N 3.140 126.271 122.820 0.518 0.000 2.449 65 A HA 0.875 5.194 4.320 -0.001 0.000 0.302 65 A C -1.978 175.823 177.584 0.361 0.000 1.048 65 A CA -0.302 51.972 52.037 0.394 0.000 0.708 65 A CB 1.029 20.154 19.000 0.208 0.000 1.274 65 A HN 1.043 nan 8.150 nan 0.000 0.410 66 W N 0.809 122.154 121.300 0.074 0.000 3.083 66 W HA 0.818 5.477 4.660 -0.001 0.000 0.333 66 W C -0.770 175.697 176.519 -0.086 0.000 1.217 66 W CA -0.343 56.990 57.345 -0.020 0.000 1.170 66 W CB 1.128 30.561 29.460 -0.044 0.000 1.437 66 W HN 0.875 nan 8.180 nan 0.000 0.557 67 T N 0.363 114.773 114.554 -0.240 0.000 2.681 67 T HA 0.533 4.882 4.350 -0.001 0.000 0.296 67 T C -1.751 172.725 174.700 -0.372 0.000 1.157 67 T CA -0.484 61.393 62.100 -0.372 0.000 1.025 67 T CB 1.165 69.894 68.868 -0.232 0.000 1.441 67 T HN 0.666 nan 8.240 nan 0.000 0.504 68 H N 0.336 119.479 119.070 0.121 0.000 2.928 68 H HA 0.636 5.192 4.556 -0.001 0.000 0.371 68 H C -0.611 174.764 175.328 0.079 0.000 1.186 68 H CA -0.453 55.688 56.048 0.155 0.000 1.134 68 H CB 1.937 31.836 29.762 0.229 0.000 1.824 68 H HN 0.838 nan 8.280 nan 0.000 0.554 69 T N -1.834 112.870 114.554 0.250 0.000 2.903 69 T HA 0.382 4.732 4.350 -0.001 0.000 0.299 69 T C -0.294 174.551 174.700 0.242 0.000 1.093 69 T CA -0.839 61.365 62.100 0.175 0.000 1.002 69 T CB 1.319 70.271 68.868 0.140 0.000 1.127 69 T HN 0.211 nan 8.240 nan 0.000 0.488 70 V N 3.582 123.650 119.914 0.256 0.000 2.599 70 V HA 0.227 4.347 4.120 -0.001 0.000 0.300 70 V C 0.651 176.926 176.094 0.301 0.000 1.034 70 V CA 0.042 62.552 62.300 0.349 0.000 1.115 70 V CB -0.253 31.780 31.823 0.349 0.000 0.934 70 V HN 1.097 nan 8.190 nan 0.000 0.485 71 D N 2.896 123.502 120.400 0.343 0.000 2.432 71 D HA 0.255 4.895 4.640 -0.001 0.000 0.258 71 D C 0.965 177.426 176.300 0.268 0.000 1.146 71 D CA -0.018 54.162 54.000 0.299 0.000 1.015 71 D CB 0.852 41.832 40.800 0.300 0.000 1.107 71 D HN 0.545 nan 8.370 nan 0.000 0.529 72 T N -3.391 111.280 114.554 0.194 0.000 3.069 72 T HA 0.206 4.556 4.350 -0.001 0.000 0.252 72 T C 0.402 175.136 174.700 0.057 0.000 1.053 72 T CA -0.548 61.632 62.100 0.134 0.000 0.964 72 T CB -0.513 68.421 68.868 0.109 0.000 1.005 72 T HN 0.240 nan 8.240 nan 0.000 0.532 73 S N 2.190 117.906 115.700 0.028 0.000 2.585 73 S HA 0.425 4.894 4.470 -0.001 0.000 0.273 73 S C 0.324 174.667 174.600 -0.429 0.000 1.339 73 S CA -0.653 57.441 58.200 -0.177 0.000 1.028 73 S CB 0.909 64.001 63.200 -0.181 0.000 0.906 73 S HN 0.447 nan 8.310 nan 0.000 0.528 74 S N 1.595 117.024 115.700 -0.452 0.000 2.545 74 S HA 0.235 4.705 4.470 -0.001 0.000 0.275 74 S C 0.330 174.556 174.600 -0.624 0.000 1.299 74 S CA -0.626 57.281 58.200 -0.488 0.000 1.048 74 S CB 0.147 63.063 63.200 -0.473 0.000 0.938 74 S HN 0.694 nan 8.310 nan 0.000 0.496 75 H N 1.816 120.920 119.070 0.057 0.000 2.674 75 H HA 0.286 4.841 4.556 -0.001 0.000 0.274 75 H C -0.478 175.040 175.328 0.318 0.000 1.121 75 H CA 0.008 56.167 56.048 0.185 0.000 1.132 75 H CB 0.128 30.077 29.762 0.312 0.000 1.606 75 H HN 0.637 nan 8.280 nan 0.000 0.558 76 F N -0.492 119.530 119.950 0.121 0.000 2.741 76 F HA 0.564 5.090 4.527 -0.000 0.000 0.313 76 F C -0.910 174.978 175.800 0.147 0.000 1.153 76 F CA -1.267 56.867 58.000 0.223 0.000 0.931 76 F CB 1.312 40.438 39.000 0.209 0.000 1.335 76 F HN -0.157 nan 8.300 nan 0.000 0.460 77 T N 0.146 114.893 114.554 0.322 0.000 2.893 77 T HA 0.721 5.070 4.350 -0.001 0.000 0.293 77 T C -0.970 173.837 174.700 0.179 0.000 1.027 77 T CA -0.813 61.294 62.100 0.011 0.000 0.988 77 T CB 1.603 70.457 68.868 -0.024 0.000 1.043 77 T HN 0.884 nan 8.240 nan 0.000 0.461 78 L N 2.248 123.491 121.223 0.034 0.000 2.395 78 L HA 0.446 4.786 4.340 -0.001 0.000 0.269 78 L C -0.842 175.914 176.870 -0.191 0.000 1.133 78 L CA -0.907 53.961 54.840 0.046 0.000 0.812 78 L CB 0.484 42.566 42.059 0.039 0.000 1.125 78 L HN 0.682 nan 8.230 nan 0.000 0.452 79 Y N 1.834 122.086 120.300 -0.081 0.000 2.331 79 Y HA 0.346 4.896 4.550 -0.001 0.000 0.334 79 Y C 0.125 175.868 175.900 -0.262 0.000 0.960 79 Y CA -0.633 57.300 58.100 -0.277 0.000 1.130 79 Y CB 1.491 39.524 38.460 -0.712 0.000 1.164 79 Y HN 0.452 nan 8.280 nan 0.000 0.458 80 R N 4.827 125.240 120.500 -0.145 0.000 2.316 80 R HA 0.384 4.723 4.340 -0.001 0.000 0.314 80 R C -1.268 174.841 176.300 -0.320 0.000 1.069 80 R CA -0.188 55.621 56.100 -0.485 0.000 0.959 80 R CB 0.193 30.280 30.300 -0.355 0.000 0.987 80 R HN 0.725 nan 8.270 nan 0.000 0.446 81 L N 3.896 124.881 121.223 -0.397 0.000 2.312 81 L HA 0.404 4.744 4.340 -0.001 0.000 0.281 81 L C 0.303 177.084 176.870 -0.148 0.000 1.070 81 L CA -0.787 53.930 54.840 -0.204 0.000 0.805 81 L CB 1.619 43.513 42.059 -0.275 0.000 1.174 81 L HN 0.697 nan 8.230 nan 0.000 0.434 82 A N 5.339 128.144 122.820 -0.025 0.000 2.310 82 A HA 0.529 4.848 4.320 -0.001 0.000 0.300 82 A C -0.102 177.509 177.584 0.045 0.000 1.269 82 A CA -0.488 51.547 52.037 -0.002 0.000 0.909 82 A CB -0.006 19.003 19.000 0.015 0.000 1.144 82 A HN 0.656 nan 8.150 nan 0.000 0.540 83 L N 1.754 122.998 121.223 0.036 0.000 2.417 83 L HA 0.139 4.479 4.340 -0.001 0.000 0.268 83 L C 0.665 177.574 176.870 0.066 0.000 1.158 83 L CA -0.713 54.175 54.840 0.080 0.000 0.819 83 L CB 0.478 42.598 42.059 0.101 0.000 1.112 83 L HN 0.653 nan 8.230 nan 0.000 0.458 84 D N 4.278 124.720 120.400 0.069 0.000 2.472 84 D HA -0.011 4.629 4.640 -0.001 0.000 0.248 84 D C -1.439 174.887 176.300 0.042 0.000 1.174 84 D CA -1.371 52.653 54.000 0.039 0.000 0.883 84 D CB 1.255 42.072 40.800 0.029 0.000 1.149 84 D HN 0.258 nan 8.370 nan 0.000 0.488 85 P HA -0.118 nan 4.420 nan 0.000 0.225 85 P C 0.598 177.913 177.300 0.026 0.000 1.148 85 P CA 1.002 64.119 63.100 0.028 0.000 0.779 85 P CB 0.344 32.055 31.700 0.019 0.000 0.780 86 K N -1.188 119.226 120.400 0.022 0.000 2.379 86 K HA 0.062 4.381 4.320 -0.001 0.000 0.194 86 K C 0.295 176.910 176.600 0.025 0.000 1.031 86 K CA 0.274 56.572 56.287 0.019 0.000 1.037 86 K CB 0.302 32.809 32.500 0.011 0.000 0.824 86 K HN 0.026 nan 8.250 nan 0.000 0.516 87 D N -0.172 120.252 120.400 0.039 0.000 2.452 87 D HA 0.072 4.711 4.640 -0.001 0.000 0.226 87 D C -2.454 173.900 176.300 0.090 0.000 1.366 87 D CA -1.632 52.399 54.000 0.052 0.000 0.986 87 D CB 1.762 42.591 40.800 0.048 0.000 1.420 87 D HN -0.206 nan 8.370 nan 0.000 0.583 88 P HA 0.050 nan 4.420 nan 0.000 0.242 88 P C 0.644 178.135 177.300 0.318 0.000 1.197 88 P CA 0.229 63.443 63.100 0.190 0.000 0.765 88 P CB 0.310 32.075 31.700 0.109 0.000 0.936 89 R N -0.559 120.073 120.500 0.220 0.000 2.427 89 R HA 0.239 4.579 4.340 -0.001 0.000 0.262 89 R C 0.691 177.141 176.300 0.251 0.000 0.943 89 R CA -0.077 56.191 56.100 0.279 0.000 1.081 89 R CB 0.396 30.819 30.300 0.205 0.000 1.166 89 R HN 0.172 nan 8.270 nan 0.000 0.534 90 R N 0.244 120.866 120.500 0.203 0.000 2.807 90 R HA 0.359 4.699 4.340 -0.001 0.000 0.276 90 R C -1.401 175.012 176.300 0.189 0.000 0.979 90 R CA -0.938 55.255 56.100 0.154 0.000 0.928 90 R CB 1.778 32.105 30.300 0.044 0.000 1.191 90 R HN -0.067 nan 8.270 nan 0.000 0.471 91 Y N -1.075 119.221 120.300 -0.007 0.000 2.553 91 Y HA 0.586 5.136 4.550 -0.001 0.000 0.347 91 Y C -1.427 174.459 175.900 -0.023 0.000 1.019 91 Y CA -1.439 56.645 58.100 -0.026 0.000 1.032 91 Y CB 1.139 39.566 38.460 -0.056 0.000 1.284 91 Y HN 0.320 nan 8.280 nan 0.000 0.466 92 L N 3.687 124.926 121.223 0.027 0.000 2.289 92 L HA 0.730 5.069 4.340 -0.001 0.000 0.285 92 L C -0.858 176.016 176.870 0.007 0.000 1.049 92 L CA -1.158 53.656 54.840 -0.043 0.000 0.804 92 L CB 1.531 43.588 42.059 -0.004 0.000 1.195 92 L HN 0.574 nan 8.230 nan 0.000 0.428 93 V N 1.886 121.765 119.914 -0.058 0.000 2.483 93 V HA 0.256 4.376 4.120 -0.001 0.000 0.297 93 V C -0.532 175.548 176.094 -0.022 0.000 1.027 93 V CA -0.635 61.664 62.300 -0.002 0.000 0.855 93 V CB 1.483 33.294 31.823 -0.020 0.000 0.995 93 V HN 0.814 nan 8.190 nan 0.000 0.424 94 D N 4.056 124.458 120.400 0.004 0.000 2.751 94 D HA -0.194 4.446 4.640 -0.001 0.000 0.233 94 D C 1.372 177.663 176.300 -0.015 0.000 1.149 94 D CA 1.887 55.885 54.000 -0.003 0.000 0.682 94 D CB -1.146 39.650 40.800 -0.008 0.000 1.068 94 D HN 1.490 nan 8.370 nan 0.000 0.429 95 G N -0.389 108.402 108.800 -0.015 0.000 2.184 95 G HA2 -0.400 3.559 3.960 -0.001 0.000 0.264 95 G HA3 -0.400 3.559 3.960 -0.001 0.000 0.264 95 G C 0.350 175.227 174.900 -0.037 0.000 0.975 95 G CA 0.543 45.631 45.100 -0.020 0.000 0.642 95 G HN 0.679 nan 8.290 nan 0.000 0.536 96 R N 0.515 120.981 120.500 -0.058 0.000 2.346 96 R HA 0.587 4.927 4.340 -0.001 0.000 0.311 96 R C 0.153 176.376 176.300 -0.128 0.000 0.983 96 R CA 0.084 56.135 56.100 -0.081 0.000 0.880 96 R CB 1.002 31.251 30.300 -0.084 0.000 1.100 96 R HN 0.170 nan 8.270 nan 0.000 0.453 97 S N 5.081 120.709 115.700 -0.120 0.000 2.474 97 S HA 0.310 4.780 4.470 -0.001 0.000 0.276 97 S C -0.308 174.159 174.600 -0.221 0.000 1.227 97 S CA -0.557 57.550 58.200 -0.155 0.000 1.050 97 S CB 0.147 63.295 63.200 -0.087 0.000 0.939 97 S HN 0.464 nan 8.310 nan 0.000 0.490 98 L N 7.241 128.221 121.223 -0.405 0.000 2.334 98 L HA 0.583 4.923 4.340 -0.001 0.000 0.276 98 L C -2.137 174.532 176.870 -0.335 0.000 1.014 98 L CA -2.504 52.061 54.840 -0.459 0.000 0.815 98 L CB 2.110 43.697 42.059 -0.787 0.000 1.268 98 L HN 0.484 nan 8.230 nan 0.000 0.428 99 P HA 0.220 nan 4.420 nan 0.000 0.284 99 P C -0.741 176.664 177.300 0.175 0.000 1.253 99 P CA -0.432 62.690 63.100 0.037 0.000 0.800 99 P CB 1.075 32.795 31.700 0.034 0.000 0.961 100 L N 2.023 123.421 121.223 0.292 0.000 2.456 100 L HA 0.144 4.483 4.340 -0.001 0.000 0.272 100 L C 1.354 178.356 176.870 0.221 0.000 1.189 100 L CA 0.065 55.095 54.840 0.316 0.000 0.846 100 L CB -0.071 42.210 42.059 0.371 0.000 1.111 100 L HN 0.338 nan 8.230 nan 0.000 0.475 101 E N 2.381 122.671 120.200 0.151 0.000 2.338 101 E HA 0.139 4.488 4.350 -0.001 0.000 0.272 101 E C -0.835 175.782 176.600 0.028 0.000 1.029 101 E CA -0.227 56.216 56.400 0.072 0.000 0.872 101 E CB 0.816 30.537 29.700 0.036 0.000 1.015 101 E HN 0.484 nan 8.360 nan 0.000 0.417 102 E N 2.824 122.994 120.200 -0.050 0.000 2.155 102 E HA 0.209 4.559 4.350 -0.001 0.000 0.264 102 E C -0.828 175.691 176.600 -0.136 0.000 0.886 102 E CA -0.730 55.547 56.400 -0.206 0.000 0.752 102 E CB 1.430 30.970 29.700 -0.268 0.000 1.133 102 E HN 0.004 nan 8.360 nan 0.000 0.414 103 K N 1.827 122.151 120.400 -0.127 0.000 2.339 103 K HA 0.291 4.610 4.320 -0.001 0.000 0.264 103 K C -1.091 175.472 176.600 -0.063 0.000 0.986 103 K CA -0.433 55.815 56.287 -0.066 0.000 0.866 103 K CB 1.264 33.749 32.500 -0.026 0.000 1.103 103 K HN 0.260 nan 8.250 nan 0.000 0.441 104 S N 2.610 118.280 115.700 -0.051 0.000 2.525 104 S HA 0.490 4.960 4.470 -0.001 0.000 0.278 104 S C -0.642 173.962 174.600 0.007 0.000 1.234 104 S CA -0.770 57.413 58.200 -0.030 0.000 1.058 104 S CB 0.916 64.091 63.200 -0.040 0.000 0.983 104 S HN 0.495 nan 8.310 nan 0.000 0.495 105 V N 0.190 120.128 119.914 0.040 0.000 2.815 105 V HA 1.016 5.136 4.120 -0.001 0.000 0.314 105 V C -0.262 175.859 176.094 0.044 0.000 1.064 105 V CA -1.181 61.142 62.300 0.039 0.000 0.952 105 V CB 1.332 33.181 31.823 0.043 0.000 1.020 105 V HN 0.910 nan 8.190 nan 0.000 0.439 106 A N 4.709 127.546 122.820 0.028 0.000 2.343 106 A HA 0.896 5.216 4.320 -0.001 0.000 0.316 106 A C -0.828 176.767 177.584 0.018 0.000 1.104 106 A CA -0.653 51.400 52.037 0.025 0.000 0.768 106 A CB 1.017 20.026 19.000 0.016 0.000 1.213 106 A HN 0.759 nan 8.150 nan 0.000 0.456 107 I N 1.787 122.368 120.570 0.019 0.000 2.509 107 I HA 0.379 4.548 4.170 -0.001 0.000 0.293 107 I C -0.281 175.840 176.117 0.007 0.000 1.020 107 I CA -0.636 60.670 61.300 0.009 0.000 1.088 107 I CB 1.786 39.788 38.000 0.004 0.000 1.267 107 I HN 0.604 nan 8.210 nan 0.000 0.430 108 E N 4.624 124.825 120.200 0.002 0.000 2.249 108 E HA 0.460 4.810 4.350 -0.001 0.000 0.280 108 E C -0.867 175.732 176.600 -0.001 0.000 1.016 108 E CA -0.502 55.899 56.400 0.001 0.000 0.830 108 E CB 2.475 32.175 29.700 -0.001 0.000 1.081 108 E HN 0.217 nan 8.360 nan 0.000 0.395 109 V N 3.528 123.442 119.914 0.000 0.000 2.444 109 V HA 0.292 4.411 4.120 -0.001 0.000 0.294 109 V C 0.363 176.456 176.094 -0.002 0.000 1.022 109 V CA -0.843 61.456 62.300 -0.001 0.000 0.850 109 V CB 1.838 33.662 31.823 0.001 0.000 0.992 109 V HN 0.490 nan 8.190 nan 0.000 0.426 110 R N 2.934 123.431 120.500 -0.004 0.000 2.316 110 R HA 0.498 4.838 4.340 -0.001 0.000 0.314 110 R C 0.461 176.759 176.300 -0.003 0.000 1.069 110 R CA 0.103 56.200 56.100 -0.004 0.000 0.959 110 R CB 0.821 31.118 30.300 -0.006 0.000 0.987 110 R HN 0.928 nan 8.270 nan 0.000 0.446 111 G N 1.626 110.425 108.800 -0.002 0.000 2.537 111 G HA2 0.356 4.316 3.960 -0.001 0.000 0.297 111 G HA3 0.356 4.316 3.960 -0.001 0.000 0.297 111 G C 0.698 175.596 174.900 -0.003 0.000 1.310 111 G CA -0.002 45.097 45.100 -0.002 0.000 1.027 111 G HN 0.738 nan 8.290 nan 0.000 0.505 112 A N -0.073 122.746 122.820 -0.002 0.000 1.940 112 A HA -0.093 4.227 4.320 -0.001 0.000 0.219 112 A C 1.871 179.453 177.584 -0.003 0.000 1.176 112 A CA 2.315 54.351 52.037 -0.003 0.000 0.631 112 A CB -0.480 18.518 19.000 -0.002 0.000 0.814 112 A HN 0.641 nan 8.150 nan 0.000 0.446 113 D N -1.893 118.505 120.400 -0.002 0.000 2.363 113 D HA 0.233 4.873 4.640 -0.001 0.000 0.226 113 D C 1.210 177.509 176.300 -0.003 0.000 1.020 113 D CA 0.982 54.980 54.000 -0.002 0.000 0.892 113 D CB -0.772 40.026 40.800 -0.002 0.000 0.900 113 D HN 0.836 nan 8.370 nan 0.000 0.531 114 G N -0.023 108.775 108.800 -0.003 0.000 2.184 114 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.264 114 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.264 114 G C 0.218 175.116 174.900 -0.003 0.000 0.975 114 G CA 0.387 45.485 45.100 -0.004 0.000 0.642 114 G HN 0.498 nan 8.290 nan 0.000 0.536 115 K N -0.152 120.247 120.400 -0.003 0.000 2.087 115 K HA 0.680 4.999 4.320 -0.001 0.000 0.255 115 K C 0.560 177.159 176.600 -0.002 0.000 0.988 115 K CA -0.720 55.566 56.287 -0.002 0.000 0.915 115 K CB 1.152 33.651 32.500 -0.002 0.000 1.043 115 K HN 0.152 nan 8.250 nan 0.000 0.457 116 L N 1.868 123.090 121.223 -0.002 0.000 2.312 116 L HA 0.253 4.592 4.340 -0.001 0.000 0.281 116 L C 0.163 177.033 176.870 0.000 0.000 1.070 116 L CA -0.356 54.483 54.840 -0.001 0.000 0.805 116 L CB 1.284 43.342 42.059 -0.002 0.000 1.174 116 L HN 0.735 nan 8.230 nan 0.000 0.434 117 S N 2.920 118.621 115.700 0.002 0.000 2.542 117 S HA 0.563 5.033 4.470 -0.001 0.000 0.293 117 S C -0.670 173.933 174.600 0.005 0.000 1.089 117 S CA -1.050 57.152 58.200 0.003 0.000 0.961 117 S CB 2.352 65.554 63.200 0.004 0.000 1.062 117 S HN 0.653 nan 8.310 nan 0.000 0.483 118 R N 1.713 122.217 120.500 0.007 0.000 2.254 118 R HA 0.597 4.937 4.340 -0.001 0.000 0.318 118 R C -1.480 174.829 176.300 0.015 0.000 1.031 118 R CA -0.465 55.640 56.100 0.009 0.000 0.905 118 R CB 0.666 30.970 30.300 0.008 0.000 1.050 118 R HN 0.625 nan 8.270 nan 0.000 0.456 119 V N 4.558 124.485 119.914 0.021 0.000 2.417 119 V HA 0.282 4.402 4.120 -0.001 0.000 0.291 119 V C -0.330 175.792 176.094 0.047 0.000 1.024 119 V CA -0.669 61.651 62.300 0.034 0.000 0.861 119 V CB 1.641 33.487 31.823 0.038 0.000 0.985 119 V HN 0.825 nan 8.190 nan 0.000 0.436 120 E N 2.524 122.754 120.200 0.050 0.000 2.179 120 E HA 0.548 4.897 4.350 -0.001 0.000 0.275 120 E C -1.278 175.377 176.600 0.090 0.000 0.945 120 E CA -0.643 55.789 56.400 0.054 0.000 0.792 120 E CB 1.972 31.684 29.700 0.019 0.000 1.125 120 E HN 0.763 nan 8.360 nan 0.000 0.397 121 H N 1.544 120.613 119.070 -0.002 0.000 2.667 121 H HA 0.277 4.833 4.556 -0.001 0.000 0.353 121 H C -1.248 174.072 175.328 -0.013 0.000 1.072 121 H CA -0.794 55.257 56.048 0.005 0.000 1.214 121 H CB 1.151 30.924 29.762 0.017 0.000 1.600 121 H HN 0.195 nan 8.280 nan 0.000 0.527 122 K N 4.583 124.744 120.400 -0.397 0.000 2.248 122 K HA 0.382 4.702 4.320 -0.001 0.000 0.281 122 K C -1.196 175.294 176.600 -0.183 0.000 1.054 122 K CA -0.682 55.434 56.287 -0.285 0.000 0.903 122 K CB 0.781 33.067 32.500 -0.357 0.000 1.077 122 K HN 0.363 nan 8.250 nan 0.000 0.474 123 V N 5.978 125.855 119.914 -0.062 0.000 2.347 123 V HA 0.213 4.333 4.120 -0.001 0.000 0.280 123 V C -0.804 175.270 176.094 -0.032 0.000 1.021 123 V CA -0.784 61.560 62.300 0.074 0.000 0.847 123 V CB 0.438 32.329 31.823 0.114 0.000 0.990 123 V HN 0.625 nan 8.190 nan 0.000 0.444 124 Y N 3.700 124.085 120.300 0.142 0.000 2.316 124 Y HA 0.483 5.032 4.550 -0.001 0.000 0.331 124 Y C 0.678 176.597 175.900 0.031 0.000 1.083 124 Y CA -0.004 58.171 58.100 0.125 0.000 1.206 124 Y CB 1.017 39.636 38.460 0.266 0.000 1.195 124 Y HN 0.569 nan 8.280 nan 0.000 0.497 125 Q N 1.737 121.615 119.800 0.130 0.000 2.375 125 Q HA 0.539 4.878 4.340 -0.001 0.000 0.271 125 Q C -0.822 175.168 176.000 -0.016 0.000 1.074 125 Q CA -1.041 54.780 55.803 0.031 0.000 0.808 125 Q CB 2.401 31.149 28.738 0.017 0.000 1.327 125 Q HN 0.766 nan 8.270 nan 0.000 0.441 126 S N 0.462 116.086 115.700 -0.126 0.000 2.767 126 S HA 0.442 4.911 4.470 -0.001 0.000 0.300 126 S C 1.197 175.687 174.600 -0.184 0.000 1.123 126 S CA -0.801 57.254 58.200 -0.241 0.000 0.992 126 S CB 0.378 63.214 63.200 -0.606 0.000 1.138 126 S HN 0.792 nan 8.310 nan 0.000 0.550 127 I N -1.950 118.470 120.570 -0.250 0.000 2.530 127 I HA -0.130 4.040 4.170 -0.001 0.000 0.257 127 I C 1.466 177.278 176.117 -0.507 0.000 1.179 127 I CA 1.387 62.454 61.300 -0.388 0.000 1.440 127 I CB -0.713 36.996 38.000 -0.486 0.000 1.087 127 I HN 0.590 nan 8.210 nan 0.000 0.440 128 Y N 2.220 122.365 120.300 -0.259 0.000 2.448 128 Y HA 0.480 5.030 4.550 -0.001 0.000 0.289 128 Y C 1.541 177.341 175.900 -0.167 0.000 1.114 128 Y CA 0.269 58.182 58.100 -0.312 0.000 1.235 128 Y CB -0.349 37.858 38.460 -0.421 0.000 1.045 128 Y HN 0.411 nan 8.280 nan 0.000 0.554 129 G N -0.840 107.960 108.800 -0.001 0.000 2.357 129 G HA2 0.090 4.050 3.960 -0.001 0.000 0.289 129 G HA3 0.090 4.050 3.960 -0.001 0.000 0.289 129 G C -3.160 171.744 174.900 0.007 0.000 1.302 129 G CA -1.276 43.837 45.100 0.021 0.000 0.936 129 G HN -0.225 nan 8.290 nan 0.000 0.513 130 P HA 0.499 nan 4.420 nan 0.000 0.274 130 P C -0.359 176.943 177.300 0.003 0.000 1.231 130 P CA -0.295 62.822 63.100 0.029 0.000 0.790 130 P CB 0.949 32.682 31.700 0.054 0.000 0.951 131 L N 2.399 123.611 121.223 -0.017 0.000 2.436 131 L HA 0.280 4.620 4.340 -0.001 0.000 0.265 131 L C 0.562 177.447 176.870 0.024 0.000 1.168 131 L CA 0.028 54.817 54.840 -0.085 0.000 0.815 131 L CB 0.557 42.436 42.059 -0.300 0.000 1.109 131 L HN 0.265 nan 8.230 nan 0.000 0.462 132 V N 0.410 120.331 119.914 0.012 0.000 2.841 132 V HA 0.798 4.918 4.120 -0.001 0.000 0.310 132 V C -0.783 175.346 176.094 0.058 0.000 1.090 132 V CA -0.738 61.585 62.300 0.039 0.000 0.930 132 V CB 1.983 33.780 31.823 -0.043 0.000 1.014 132 V HN 0.325 nan 8.190 nan 0.000 0.425 133 V N 3.792 123.788 119.914 0.137 0.000 2.487 133 V HA 0.513 4.633 4.120 -0.001 0.000 0.298 133 V C -1.294 174.985 176.094 0.307 0.000 1.028 133 V CA -0.210 62.204 62.300 0.189 0.000 0.860 133 V CB 2.011 33.980 31.823 0.244 0.000 0.991 133 V HN 0.930 nan 8.190 nan 0.000 0.427 134 W N 6.048 127.360 121.300 0.020 0.000 2.299 134 W HA 0.468 5.128 4.660 -0.001 0.000 0.319 134 W C -2.501 174.023 176.519 0.009 0.000 1.008 134 W CA -3.464 53.879 57.345 -0.004 0.000 1.384 134 W CB 0.739 30.171 29.460 -0.045 0.000 1.220 134 W HN 0.334 nan 8.180 nan 0.000 0.402 135 P HA 0.101 nan 4.420 nan 0.000 0.261 135 P C 1.035 178.404 177.300 0.115 0.000 1.183 135 P CA 1.763 64.945 63.100 0.137 0.000 0.761 135 P CB 0.571 32.324 31.700 0.089 0.000 0.785 136 G N 2.444 111.308 108.800 0.107 0.000 2.195 136 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.246 136 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.246 136 G C 0.860 175.819 174.900 0.097 0.000 0.984 136 G CA 0.839 45.990 45.100 0.084 0.000 0.633 136 G HN 0.627 nan 8.290 nan 0.000 0.525 137 K N -0.735 119.747 120.400 0.136 0.000 2.625 137 K HA 0.516 4.836 4.320 -0.001 0.000 0.202 137 K C 0.495 177.106 176.600 0.019 0.000 1.412 137 K CA 0.154 56.514 56.287 0.123 0.000 0.989 137 K CB 0.221 32.873 32.500 0.252 0.000 1.682 137 K HN 0.237 nan 8.250 nan 0.000 0.496 138 L N 3.110 124.334 121.223 0.001 0.000 2.435 138 L HA 0.433 4.773 4.340 -0.001 0.000 0.253 138 L C -1.064 175.868 176.870 0.103 0.000 1.087 138 L CA -0.854 53.851 54.840 -0.226 0.000 0.950 138 L CB 1.141 42.805 42.059 -0.658 0.000 1.304 138 L HN 0.195 nan 8.230 nan 0.000 0.453 139 D N 0.748 121.276 120.400 0.214 0.000 2.423 139 D HA 0.204 4.843 4.640 -0.001 0.000 0.255 139 D C -0.883 175.619 176.300 0.337 0.000 1.174 139 D CA -0.152 53.995 54.000 0.245 0.000 1.008 139 D CB 2.000 42.916 40.800 0.193 0.000 1.101 139 D HN 0.258 nan 8.370 nan 0.000 0.516 140 W N 3.028 124.377 121.300 0.080 0.000 2.413 140 W HA 0.188 4.848 4.660 -0.000 0.000 0.308 140 W C -0.762 175.765 176.519 0.013 0.000 0.997 140 W CA -0.991 56.375 57.345 0.034 0.000 1.447 140 W CB -0.510 28.948 29.460 -0.002 0.000 1.263 140 W HN 0.346 nan 8.180 nan 0.000 0.416 141 N N 2.573 121.490 118.700 0.362 0.000 3.040 141 N HA 0.433 5.173 4.740 -0.001 0.000 0.339 141 N C 0.751 176.375 175.510 0.190 0.000 1.387 141 N CA -0.477 52.683 53.050 0.182 0.000 0.745 141 N CB 0.680 39.242 38.487 0.124 0.000 1.237 141 N HN 0.234 nan 8.380 nan 0.000 0.565 142 R N -0.849 119.715 120.500 0.106 0.000 2.297 142 R HA 0.273 4.612 4.340 -0.001 0.000 0.197 142 R C 0.597 176.951 176.300 0.091 0.000 0.943 142 R CA 0.366 56.521 56.100 0.092 0.000 1.038 142 R CB -0.052 30.276 30.300 0.047 0.000 0.957 142 R HN 0.485 nan 8.270 nan 0.000 0.484 143 S N 0.293 116.046 115.700 0.088 0.000 2.566 143 S HA 0.011 4.481 4.470 -0.001 0.000 0.234 143 S C 0.401 175.020 174.600 0.033 0.000 1.075 143 S CA 0.144 58.377 58.200 0.056 0.000 0.926 143 S CB 0.503 63.730 63.200 0.046 0.000 0.811 143 S HN 0.418 nan 8.310 nan 0.000 0.518 144 E N -0.214 120.007 120.200 0.035 0.000 2.413 144 E HA 0.802 5.152 4.350 -0.001 0.000 0.277 144 E C -1.246 175.292 176.600 -0.103 0.000 0.958 144 E CA -1.253 55.100 56.400 -0.078 0.000 0.779 144 E CB 1.895 31.519 29.700 -0.127 0.000 1.278 144 E HN 0.144 nan 8.360 nan 0.000 0.456 145 A N 0.859 123.468 122.820 -0.351 0.000 2.583 145 A HA 0.682 5.002 4.320 -0.001 0.000 0.289 145 A C -2.091 175.119 177.584 -0.624 0.000 1.151 145 A CA -0.781 50.998 52.037 -0.431 0.000 0.695 145 A CB 1.224 19.674 19.000 -0.916 0.000 1.290 145 A HN 0.538 nan 8.150 nan 0.000 0.419 146 Y N -0.369 119.773 120.300 -0.264 0.000 2.376 146 Y HA 0.651 5.201 4.550 -0.001 0.000 0.340 146 Y C 0.554 176.329 175.900 -0.209 0.000 0.965 146 Y CA 0.001 57.978 58.100 -0.204 0.000 1.078 146 Y CB 2.228 40.575 38.460 -0.189 0.000 1.193 146 Y HN 0.982 nan 8.280 nan 0.000 0.452 147 A N 3.356 126.153 122.820 -0.038 0.000 2.322 147 A HA 0.869 5.188 4.320 -0.001 0.000 0.327 147 A C -1.738 175.908 177.584 0.103 0.000 1.134 147 A CA -0.855 51.177 52.037 -0.009 0.000 0.831 147 A CB 1.377 20.359 19.000 -0.030 0.000 1.288 147 A HN 0.807 nan 8.150 nan 0.000 0.472 148 L N 0.808 122.101 121.223 0.116 0.000 2.376 148 L HA 0.591 4.931 4.340 -0.001 0.000 0.275 148 L C -0.201 176.805 176.870 0.226 0.000 0.987 148 L CA -0.479 54.469 54.840 0.181 0.000 0.828 148 L CB 1.322 43.430 42.059 0.081 0.000 1.249 148 L HN 0.823 nan 8.230 nan 0.000 0.409 149 R N 3.685 124.393 120.500 0.346 0.000 2.246 149 R HA 0.241 4.580 4.340 -0.001 0.000 0.332 149 R C -1.116 175.484 176.300 0.501 0.000 0.974 149 R CA -0.562 55.717 56.100 0.297 0.000 0.837 149 R CB 0.869 31.227 30.300 0.095 0.000 1.145 149 R HN 0.553 nan 8.270 nan 0.000 0.467 150 D N 3.637 124.269 120.400 0.387 0.000 2.274 150 D HA 0.162 4.801 4.640 -0.001 0.000 0.239 150 D C 0.518 177.119 176.300 0.501 0.000 1.104 150 D CA -0.116 54.151 54.000 0.443 0.000 0.840 150 D CB 1.932 42.888 40.800 0.261 0.000 1.100 150 D HN 0.654 nan 8.370 nan 0.000 0.477 151 A N 4.589 127.775 122.820 0.611 0.000 2.014 151 A HA -0.127 4.193 4.320 -0.001 0.000 0.218 151 A C 1.691 179.497 177.584 0.371 0.000 1.163 151 A CA 0.671 53.055 52.037 0.578 0.000 0.652 151 A CB -0.116 19.090 19.000 0.344 0.000 0.808 151 A HN 0.621 nan 8.150 nan 0.000 0.449 152 N N -0.061 118.834 118.700 0.325 0.000 2.463 152 N HA 0.060 4.799 4.740 -0.001 0.000 0.181 152 N C 1.422 177.054 175.510 0.203 0.000 1.078 152 N CA 0.323 53.523 53.050 0.250 0.000 0.902 152 N CB -0.120 38.530 38.487 0.272 0.000 0.970 152 N HN 0.482 nan 8.380 nan 0.000 0.451 153 L N 0.985 122.330 121.223 0.203 0.000 2.127 153 L HA -0.151 4.188 4.340 -0.001 0.000 0.211 153 L C 1.377 178.325 176.870 0.129 0.000 1.089 153 L CA 1.346 56.276 54.840 0.150 0.000 0.757 153 L CB -0.144 41.996 42.059 0.135 0.000 0.899 153 L HN 0.141 nan 8.230 nan 0.000 0.434 154 E N -0.945 119.344 120.200 0.149 0.000 2.474 154 E HA -0.035 4.315 4.350 -0.001 0.000 0.195 154 E C 0.315 176.983 176.600 0.113 0.000 1.039 154 E CA -0.245 56.228 56.400 0.123 0.000 0.881 154 E CB 0.037 29.819 29.700 0.136 0.000 0.970 154 E HN 0.211 nan 8.360 nan 0.000 0.486 155 N N 1.781 120.554 118.700 0.121 0.000 2.739 155 N HA -0.032 4.708 4.740 -0.001 0.000 0.266 155 N C 0.488 176.046 175.510 0.080 0.000 1.168 155 N CA 0.170 53.278 53.050 0.097 0.000 1.055 155 N CB 0.404 38.953 38.487 0.103 0.000 1.393 155 N HN -0.015 nan 8.380 nan 0.000 0.514 156 T N -0.303 114.291 114.554 0.066 0.000 3.148 156 T HA 0.106 4.456 4.350 -0.001 0.000 0.253 156 T C 1.174 175.904 174.700 0.050 0.000 1.134 156 T CA 0.387 62.521 62.100 0.057 0.000 1.051 156 T CB -0.060 68.837 68.868 0.048 0.000 0.959 156 T HN 0.368 nan 8.240 nan 0.000 0.525 157 R N 0.079 120.605 120.500 0.043 0.000 2.334 157 R HA 0.340 4.680 4.340 -0.001 0.000 0.216 157 R C 2.204 178.523 176.300 0.031 0.000 0.905 157 R CA 0.015 56.131 56.100 0.026 0.000 1.064 157 R CB -0.134 30.167 30.300 0.002 0.000 1.046 157 R HN 0.271 nan 8.270 nan 0.000 0.508 158 V N 1.288 121.240 119.914 0.063 0.000 2.287 158 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 158 V C 1.784 178.007 176.094 0.214 0.000 1.053 158 V CA 1.832 64.202 62.300 0.117 0.000 1.027 158 V CB -0.098 31.821 31.823 0.159 0.000 0.646 158 V HN 0.304 nan 8.190 nan 0.000 0.447 159 L N -0.394 120.931 121.223 0.170 0.000 2.027 159 L HA -0.189 4.150 4.340 -0.001 0.000 0.206 159 L C 2.716 179.698 176.870 0.186 0.000 1.074 159 L CA 2.165 57.115 54.840 0.184 0.000 0.745 159 L CB -0.853 41.265 42.059 0.098 0.000 0.898 159 L HN 0.430 nan 8.230 nan 0.000 0.433 160 Q N 0.172 120.046 119.800 0.123 0.000 2.112 160 Q HA -0.325 4.015 4.340 -0.001 0.000 0.206 160 Q C 2.228 178.285 176.000 0.094 0.000 0.987 160 Q CA 2.173 58.051 55.803 0.124 0.000 0.858 160 Q CB 0.000 28.780 28.738 0.069 0.000 0.905 160 Q HN 0.368 nan 8.270 nan 0.000 0.420 161 Q N -0.293 119.519 119.800 0.021 0.000 2.050 161 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 161 Q C 1.598 177.492 176.000 -0.177 0.000 0.980 161 Q CA 1.955 57.675 55.803 -0.138 0.000 0.840 161 Q CB -0.485 28.085 28.738 -0.280 0.000 0.898 161 Q HN 0.530 nan 8.270 nan 0.000 0.424 162 W N -0.684 120.618 121.300 0.004 0.000 2.418 162 W HA -0.143 4.516 4.660 -0.000 0.000 0.292 162 W C 1.963 178.525 176.519 0.072 0.000 1.213 162 W CA 1.003 58.364 57.345 0.027 0.000 1.283 162 W CB -0.617 28.897 29.460 0.090 0.000 1.119 162 W HN 0.296 nan 8.180 nan 0.000 0.542 163 Y N 1.026 121.425 120.300 0.165 0.000 2.224 163 Y HA -0.250 4.300 4.550 -0.000 0.000 0.289 163 Y C 2.822 178.728 175.900 0.009 0.000 1.146 163 Y CA 1.944 60.098 58.100 0.090 0.000 1.182 163 Y CB -0.914 37.589 38.460 0.072 0.000 0.983 163 Y HN -0.216 nan 8.280 nan 0.000 0.524 164 S N -0.168 115.501 115.700 -0.052 0.000 2.356 164 S HA -0.180 4.290 4.470 -0.001 0.000 0.223 164 S C 2.142 176.593 174.600 -0.248 0.000 1.032 164 S CA 1.607 59.700 58.200 -0.180 0.000 1.005 164 S CB -0.609 62.511 63.200 -0.133 0.000 0.867 164 S HN 0.494 nan 8.310 nan 0.000 0.449 165 I N 1.998 122.391 120.570 -0.295 0.000 2.194 165 I HA -0.244 3.926 4.170 -0.001 0.000 0.246 165 I C 2.195 178.008 176.117 -0.507 0.000 1.093 165 I CA 1.549 62.549 61.300 -0.500 0.000 1.355 165 I CB -0.585 36.984 38.000 -0.718 0.000 1.046 165 I HN 0.449 nan 8.210 nan 0.000 0.413 166 N N 0.125 118.665 118.700 -0.267 0.000 2.364 166 N HA -0.211 4.529 4.740 -0.001 0.000 0.183 166 N C 1.464 176.900 175.510 -0.123 0.000 1.022 166 N CA 0.777 53.773 53.050 -0.091 0.000 0.883 166 N CB -0.021 38.519 38.487 0.088 0.000 0.965 166 N HN 0.521 nan 8.380 nan 0.000 0.438 167 Q N 0.092 119.757 119.800 -0.225 0.000 2.319 167 Q HA 0.237 4.577 4.340 -0.001 0.000 0.202 167 Q C 0.005 175.931 176.000 -0.125 0.000 0.896 167 Q CA -0.375 55.316 55.803 -0.186 0.000 0.942 167 Q CB 0.703 29.279 28.738 -0.271 0.000 1.083 167 Q HN 0.228 nan 8.270 nan 0.000 0.510 168 A N 0.946 123.674 122.820 -0.153 0.000 2.462 168 A HA 0.146 4.466 4.320 -0.001 0.000 0.243 168 A C 1.154 178.718 177.584 -0.034 0.000 1.076 168 A CA 0.271 52.237 52.037 -0.119 0.000 0.773 168 A CB 0.427 19.317 19.000 -0.183 0.000 1.010 168 A HN 0.346 nan 8.150 nan 0.000 0.493 169 S N 1.055 116.746 115.700 -0.015 0.000 2.371 169 S HA 0.112 4.582 4.470 -0.001 0.000 0.219 169 S C 0.444 175.072 174.600 0.047 0.000 1.040 169 S CA 0.931 59.157 58.200 0.044 0.000 0.958 169 S CB -0.320 62.896 63.200 0.026 0.000 0.860 169 S HN 0.905 nan 8.310 nan 0.000 0.487 170 D N -0.612 119.782 120.400 -0.010 0.000 2.798 170 D HA 0.401 5.041 4.640 -0.001 0.000 0.308 170 D C 0.918 177.199 176.300 -0.031 0.000 1.187 170 D CA -0.776 53.207 54.000 -0.028 0.000 1.033 170 D CB 0.771 41.525 40.800 -0.076 0.000 1.445 170 D HN -0.092 nan 8.370 nan 0.000 0.550 171 V N 0.199 120.095 119.914 -0.031 0.000 2.343 171 V HA -0.155 3.965 4.120 -0.001 0.000 0.247 171 V C 2.490 178.562 176.094 -0.036 0.000 1.051 171 V CA 2.767 65.056 62.300 -0.019 0.000 1.036 171 V CB -1.064 30.756 31.823 -0.005 0.000 0.654 171 V HN 0.753 nan 8.190 nan 0.000 0.451 172 A N -0.260 122.535 122.820 -0.042 0.000 1.902 172 A HA -0.294 4.026 4.320 -0.001 0.000 0.217 172 A C 2.041 179.592 177.584 -0.055 0.000 1.181 172 A CA 2.232 54.242 52.037 -0.045 0.000 0.623 172 A CB -0.661 18.312 19.000 -0.044 0.000 0.818 172 A HN 0.602 nan 8.150 nan 0.000 0.443 173 D N -0.746 119.619 120.400 -0.060 0.000 2.117 173 D HA -0.124 4.516 4.640 -0.001 0.000 0.198 173 D C 1.788 178.032 176.300 -0.094 0.000 0.982 173 D CA 1.167 55.125 54.000 -0.070 0.000 0.828 173 D CB -0.195 40.567 40.800 -0.064 0.000 0.967 173 D HN 0.233 nan 8.370 nan 0.000 0.464 174 L N 0.877 122.040 121.223 -0.100 0.000 2.012 174 L HA -0.113 4.226 4.340 -0.001 0.000 0.210 174 L C 2.330 179.118 176.870 -0.136 0.000 1.073 174 L CA 1.811 56.565 54.840 -0.143 0.000 0.748 174 L CB -0.649 41.332 42.059 -0.130 0.000 0.891 174 L HN -0.037 nan 8.230 nan 0.000 0.431 175 R N -0.700 119.742 120.500 -0.097 0.000 2.073 175 R HA -0.168 4.172 4.340 -0.001 0.000 0.234 175 R C 2.462 178.707 176.300 -0.091 0.000 1.134 175 R CA 1.691 57.737 56.100 -0.089 0.000 0.952 175 R CB -0.212 30.052 30.300 -0.060 0.000 0.850 175 R HN 0.371 nan 8.270 nan 0.000 0.433 176 R N -0.023 120.428 120.500 -0.081 0.000 2.096 176 R HA -0.162 4.178 4.340 -0.001 0.000 0.240 176 R C 2.487 178.731 176.300 -0.093 0.000 1.139 176 R CA 2.070 58.124 56.100 -0.076 0.000 0.952 176 R CB -0.325 29.935 30.300 -0.066 0.000 0.854 176 R HN 0.283 nan 8.270 nan 0.000 0.436 177 R N -0.019 120.412 120.500 -0.115 0.000 2.092 177 R HA -0.074 4.265 4.340 -0.001 0.000 0.231 177 R C 2.295 178.500 176.300 -0.159 0.000 1.119 177 R CA 1.176 57.195 56.100 -0.136 0.000 0.970 177 R CB -0.197 30.004 30.300 -0.164 0.000 0.864 177 R HN 0.076 nan 8.270 nan 0.000 0.440 178 V N 0.903 120.711 119.914 -0.177 0.000 2.407 178 V HA -0.161 3.959 4.120 -0.001 0.000 0.245 178 V C 1.899 177.903 176.094 -0.150 0.000 1.041 178 V CA 1.642 63.822 62.300 -0.199 0.000 1.040 178 V CB -0.302 31.392 31.823 -0.215 0.000 0.671 178 V HN 0.308 nan 8.190 nan 0.000 0.455 179 E N 0.394 120.523 120.200 -0.118 0.000 2.150 179 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 179 E C 2.305 178.857 176.600 -0.080 0.000 0.985 179 E CA 1.191 57.536 56.400 -0.092 0.000 0.814 179 E CB -0.278 29.378 29.700 -0.073 0.000 0.752 179 E HN 0.590 nan 8.360 nan 0.000 0.466 180 A N 0.878 123.650 122.820 -0.081 0.000 1.877 180 A HA -0.150 4.170 4.320 -0.001 0.000 0.216 180 A C 2.062 179.608 177.584 -0.064 0.000 1.186 180 A CA 1.095 53.092 52.037 -0.065 0.000 0.620 180 A CB -0.241 18.721 19.000 -0.063 0.000 0.822 180 A HN 0.188 nan 8.150 nan 0.000 0.443 181 L N -1.330 119.843 121.223 -0.083 0.000 2.357 181 L HA 0.143 4.482 4.340 -0.001 0.000 0.211 181 L C 0.664 177.487 176.870 -0.078 0.000 1.075 181 L CA 1.202 55.996 54.840 -0.076 0.000 0.830 181 L CB -0.526 41.478 42.059 -0.092 0.000 0.996 181 L HN 0.584 nan 8.230 nan 0.000 0.467 182 Q N -0.374 119.365 119.800 -0.102 0.000 2.439 182 Q HA -0.220 4.120 4.340 -0.001 0.000 0.325 182 Q C 0.928 176.869 176.000 -0.098 0.000 1.372 182 Q CA 0.443 56.188 55.803 -0.098 0.000 0.909 182 Q CB -2.242 26.460 28.738 -0.060 0.000 1.167 182 Q HN 0.616 nan 8.270 nan 0.000 0.418 183 G N -0.335 108.373 108.800 -0.153 0.000 3.126 183 G HA2 0.204 4.164 3.960 -0.001 0.000 0.224 183 G HA3 0.204 4.164 3.960 -0.001 0.000 0.224 183 G C 0.505 175.264 174.900 -0.234 0.000 1.142 183 G CA -0.322 44.691 45.100 -0.144 0.000 0.759 183 G HN 0.292 nan 8.290 nan 0.000 0.550 184 I N 1.789 122.158 120.570 -0.334 0.000 2.436 184 I HA 0.161 4.331 4.170 -0.001 0.000 0.289 184 I C -1.499 174.461 176.117 -0.262 0.000 1.083 184 I CA -2.040 58.987 61.300 -0.455 0.000 1.372 184 I CB 1.494 39.206 38.000 -0.480 0.000 1.408 184 I HN -0.079 nan 8.210 nan 0.000 0.516 185 P HA -0.051 nan 4.420 nan 0.000 0.214 185 P C 0.537 177.637 177.300 -0.334 0.000 1.162 185 P CA 1.479 64.426 63.100 -0.256 0.000 0.871 185 P CB 0.197 31.684 31.700 -0.355 0.000 0.783 186 W N -1.990 119.152 121.300 -0.263 0.000 1.093 186 W HA 0.499 5.158 4.660 -0.000 0.000 0.215 186 W C -1.003 175.469 176.519 -0.078 0.000 0.789 186 W CA -0.551 56.463 57.345 -0.553 0.000 1.438 186 W CB -0.337 28.822 29.460 -0.502 0.000 0.864 186 W HN -0.271 nan 8.180 nan 0.000 0.402 187 V N -0.895 119.041 119.914 0.037 0.000 2.914 187 V HA 0.575 4.694 4.120 -0.001 0.000 0.314 187 V C -0.008 176.165 176.094 0.131 0.000 1.084 187 V CA -1.065 61.327 62.300 0.152 0.000 0.963 187 V CB 1.690 33.566 31.823 0.088 0.000 1.025 187 V HN 0.059 nan 8.190 nan 0.000 0.432 188 N N 1.174 119.987 118.700 0.188 0.000 2.399 188 N HA 0.418 5.158 4.740 -0.001 0.000 0.250 188 N C -0.245 175.398 175.510 0.222 0.000 1.272 188 N CA 0.086 53.200 53.050 0.107 0.000 0.928 188 N CB 1.114 39.708 38.487 0.178 0.000 1.158 188 N HN 0.930 nan 8.380 nan 0.000 0.463 189 T N 1.420 116.013 114.554 0.066 0.000 2.841 189 T HA 0.551 4.901 4.350 -0.001 0.000 0.285 189 T C -0.441 174.274 174.700 0.026 0.000 0.991 189 T CA -0.508 61.664 62.100 0.119 0.000 0.966 189 T CB 1.051 69.978 68.868 0.099 0.000 0.962 189 T HN 0.142 nan 8.240 nan 0.000 0.438 190 L N 2.469 123.739 121.223 0.078 0.000 2.362 190 L HA 0.949 5.289 4.340 -0.001 0.000 0.271 190 L C -0.197 176.749 176.870 0.126 0.000 1.002 190 L CA -0.514 54.401 54.840 0.126 0.000 0.818 190 L CB 1.927 44.092 42.059 0.176 0.000 1.298 190 L HN 0.870 nan 8.230 nan 0.000 0.420 191 A N 1.666 124.569 122.820 0.137 0.000 2.594 191 A HA 1.001 5.321 4.320 -0.001 0.000 0.295 191 A C -1.623 176.047 177.584 0.143 0.000 1.071 191 A CA -0.147 51.989 52.037 0.165 0.000 0.685 191 A CB 1.803 20.907 19.000 0.174 0.000 1.285 191 A HN 0.879 nan 8.150 nan 0.000 0.405 192 A N 1.045 123.968 122.820 0.172 0.000 2.475 192 A HA 0.855 5.175 4.320 -0.001 0.000 0.301 192 A C -1.285 176.384 177.584 0.142 0.000 1.059 192 A CA -0.141 51.991 52.037 0.158 0.000 0.710 192 A CB 1.361 20.476 19.000 0.191 0.000 1.288 192 A HN 1.248 nan 8.150 nan 0.000 0.408 193 D N -0.492 119.905 120.400 -0.004 0.000 2.497 193 D HA 0.315 4.955 4.640 -0.001 0.000 0.243 193 D C 0.617 176.631 176.300 -0.476 0.000 1.039 193 D CA -0.477 53.363 54.000 -0.267 0.000 1.052 193 D CB 0.806 41.505 40.800 -0.168 0.000 1.344 193 D HN 0.524 nan 8.370 nan 0.000 0.553 194 E N -1.019 118.679 120.200 -0.835 0.000 2.118 194 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 194 E C 1.322 177.813 176.600 -0.181 0.000 0.992 194 E CA 1.085 57.148 56.400 -0.562 0.000 0.804 194 E CB 0.127 29.615 29.700 -0.353 0.000 0.741 194 E HN 0.335 nan 8.360 nan 0.000 0.458 195 Q N -0.861 118.839 119.800 -0.165 0.000 2.488 195 Q HA -0.026 4.314 4.340 -0.001 0.000 0.211 195 Q C 1.056 177.027 176.000 -0.047 0.000 0.967 195 Q CA 1.054 56.803 55.803 -0.090 0.000 0.926 195 Q CB 0.797 29.476 28.738 -0.098 0.000 0.992 195 Q HN 0.506 nan 8.270 nan 0.000 0.506 196 G N 1.373 110.151 108.800 -0.037 0.000 2.131 196 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.201 196 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.201 196 G C -0.167 174.738 174.900 0.010 0.000 1.000 196 G CA -0.331 44.773 45.100 0.007 0.000 0.680 196 G HN 0.231 nan 8.290 nan 0.000 0.514 197 N N 0.751 119.449 118.700 -0.004 0.000 2.499 197 N HA 0.581 5.321 4.740 -0.001 0.000 0.281 197 N C 0.113 175.644 175.510 0.035 0.000 1.098 197 N CA 0.651 53.705 53.050 0.007 0.000 0.979 197 N CB 1.723 40.204 38.487 -0.010 0.000 1.121 197 N HN 0.680 nan 8.380 nan 0.000 0.466 198 A N 2.341 125.188 122.820 0.045 0.000 2.304 198 A HA 0.538 4.858 4.320 -0.001 0.000 0.314 198 A C -0.793 176.834 177.584 0.072 0.000 1.187 198 A CA -0.616 51.465 52.037 0.073 0.000 0.810 198 A CB 0.639 19.691 19.000 0.085 0.000 1.183 198 A HN 0.572 nan 8.150 nan 0.000 0.487 199 L N 2.735 124.013 121.223 0.092 0.000 2.362 199 L HA 0.723 5.063 4.340 -0.001 0.000 0.275 199 L C -1.292 175.669 176.870 0.152 0.000 0.998 199 L CA -0.539 54.357 54.840 0.092 0.000 0.820 199 L CB 1.562 43.652 42.059 0.051 0.000 1.270 199 L HN 0.652 nan 8.230 nan 0.000 0.415 200 Y N 5.550 125.868 120.300 0.029 0.000 2.376 200 Y HA 0.778 5.327 4.550 -0.001 0.000 0.340 200 Y C -1.284 174.628 175.900 0.021 0.000 0.965 200 Y CA -1.011 57.110 58.100 0.035 0.000 1.078 200 Y CB 1.725 40.206 38.460 0.035 0.000 1.193 200 Y HN 0.631 nan 8.280 nan 0.000 0.452 201 M N 5.946 125.090 119.600 -0.761 0.000 2.204 201 M HA 0.238 4.718 4.480 -0.001 0.000 0.293 201 M C -0.688 175.115 176.300 -0.828 0.000 0.994 201 M CA -0.333 54.592 55.300 -0.625 0.000 0.925 201 M CB 1.988 34.421 32.600 -0.279 0.000 1.577 201 M HN 0.783 nan 8.290 nan 0.000 0.439 202 N N 2.501 120.808 118.700 -0.654 0.000 3.052 202 N HA 0.074 4.814 4.740 -0.001 0.000 0.302 202 N C -0.797 174.609 175.510 -0.173 0.000 1.332 202 N CA -0.099 52.764 53.050 -0.312 0.000 1.129 202 N CB 0.590 38.992 38.487 -0.142 0.000 1.436 202 N HN 0.565 nan 8.380 nan 0.000 0.536 203 Q N 1.699 121.396 119.800 -0.171 0.000 2.509 203 Q HA 0.179 4.519 4.340 -0.001 0.000 0.236 203 Q C -0.593 175.349 176.000 -0.095 0.000 1.073 203 Q CA -0.200 55.530 55.803 -0.122 0.000 0.867 203 Q CB 1.373 30.026 28.738 -0.140 0.000 1.181 203 Q HN 0.526 nan 8.270 nan 0.000 0.526 204 S N -0.828 114.854 115.700 -0.030 0.000 2.851 204 S HA 0.594 5.064 4.470 -0.001 0.000 0.313 204 S C -0.256 174.376 174.600 0.053 0.000 1.163 204 S CA -0.771 57.433 58.200 0.006 0.000 0.850 204 S CB 1.152 64.421 63.200 0.114 0.000 1.245 204 S HN 0.135 nan 8.310 nan 0.000 0.558 205 V N 1.739 121.721 119.914 0.113 0.000 2.353 205 V HA 0.540 4.660 4.120 -0.001 0.000 0.264 205 V C -0.907 175.325 176.094 0.230 0.000 1.049 205 V CA -0.303 62.078 62.300 0.135 0.000 0.896 205 V CB 0.371 32.272 31.823 0.130 0.000 1.025 205 V HN 0.647 nan 8.190 nan 0.000 0.475 206 V N 7.656 127.606 119.914 0.061 0.000 2.525 206 V HA 0.395 4.514 4.120 -0.001 0.000 0.299 206 V C -2.447 173.511 176.094 -0.226 0.000 1.034 206 V CA -2.242 60.011 62.300 -0.078 0.000 0.863 206 V CB 2.277 34.044 31.823 -0.094 0.000 0.999 206 V HN 0.612 nan 8.190 nan 0.000 0.423 207 P HA -0.017 nan 4.420 nan 0.000 0.264 207 P C -1.268 175.736 177.300 -0.493 0.000 1.183 207 P CA 0.337 62.811 63.100 -1.043 0.000 0.763 207 P CB 0.090 30.817 31.700 -1.620 0.000 0.807 208 Y N 4.481 124.516 120.300 -0.442 0.000 2.335 208 Y HA 0.566 5.115 4.550 -0.001 0.000 0.338 208 Y C -1.143 174.705 175.900 -0.086 0.000 0.977 208 Y CA -0.941 57.054 58.100 -0.175 0.000 1.114 208 Y CB 0.776 39.209 38.460 -0.046 0.000 1.182 208 Y HN 0.211 nan 8.280 nan 0.000 0.463 209 L N 6.660 127.624 121.223 -0.431 0.000 2.385 209 L HA 0.452 4.792 4.340 -0.001 0.000 0.273 209 L C -0.458 176.036 176.870 -0.626 0.000 0.990 209 L CA -1.055 53.512 54.840 -0.455 0.000 0.821 209 L CB 1.962 43.906 42.059 -0.192 0.000 1.279 209 L HN 0.581 nan 8.230 nan 0.000 0.412 210 K N 3.762 123.789 120.400 -0.622 0.000 2.485 210 K HA 0.010 4.329 4.320 -0.001 0.000 0.277 210 K C -1.621 174.879 176.600 -0.167 0.000 0.990 210 K CA -1.155 54.913 56.287 -0.366 0.000 0.994 210 K CB 0.455 32.832 32.500 -0.205 0.000 0.906 210 K HN 0.270 nan 8.250 nan 0.000 0.488 211 P HA -0.243 nan 4.420 nan 0.000 0.217 211 P C 0.283 177.557 177.300 -0.044 0.000 1.158 211 P CA 1.538 64.612 63.100 -0.043 0.000 0.887 211 P CB 0.195 31.886 31.700 -0.015 0.000 0.792 212 E N -0.943 119.234 120.200 -0.039 0.000 2.265 212 E HA -0.107 4.243 4.350 -0.001 0.000 0.196 212 E C 1.819 178.401 176.600 -0.030 0.000 0.996 212 E CA 0.795 57.178 56.400 -0.028 0.000 0.832 212 E CB -0.971 28.718 29.700 -0.019 0.000 0.756 212 E HN 0.302 nan 8.360 nan 0.000 0.491 213 L N -0.104 121.092 121.223 -0.044 0.000 2.375 213 L HA 0.108 4.448 4.340 -0.001 0.000 0.215 213 L C 2.008 178.857 176.870 -0.034 0.000 1.108 213 L CA 0.176 54.995 54.840 -0.035 0.000 0.830 213 L CB -0.150 41.885 42.059 -0.040 0.000 0.959 213 L HN 0.119 nan 8.230 nan 0.000 0.457 214 I N 0.643 121.185 120.570 -0.047 0.000 2.163 214 I HA -0.209 3.961 4.170 -0.001 0.000 0.243 214 I C -0.243 175.852 176.117 -0.036 0.000 1.085 214 I CA 1.513 62.784 61.300 -0.049 0.000 1.347 214 I CB -1.344 36.623 38.000 -0.055 0.000 1.044 214 I HN 0.198 nan 8.210 nan 0.000 0.408 215 P HA -0.180 nan 4.420 nan 0.000 0.215 215 P C 1.205 178.495 177.300 -0.017 0.000 1.153 215 P CA 1.840 64.927 63.100 -0.022 0.000 0.853 215 P CB 0.021 31.711 31.700 -0.017 0.000 0.788 216 A N -2.248 120.564 122.820 -0.013 0.000 2.095 216 A HA 0.002 4.321 4.320 -0.001 0.000 0.212 216 A C 2.039 179.620 177.584 -0.004 0.000 1.162 216 A CA 0.636 52.669 52.037 -0.006 0.000 0.753 216 A CB -1.168 17.831 19.000 -0.000 0.000 0.840 216 A HN 0.200 nan 8.150 nan 0.000 0.468 217 c N -0.393 118.201 118.600 -0.010 0.000 2.533 217 c HA 0.510 5.080 4.570 -0.001 0.000 0.272 217 c C 1.659 175.728 174.090 -0.035 0.000 1.371 217 c CA -0.229 56.095 56.329 -0.008 0.000 1.758 217 c CB -1.193 41.319 42.510 0.004 0.000 1.972 217 c HN 0.623 nan 8.230 nan 0.000 0.522 218 A N 1.270 124.064 122.820 -0.043 0.000 2.371 218 A HA 0.536 4.855 4.320 -0.001 0.000 0.257 218 A C 0.020 177.580 177.584 -0.040 0.000 1.089 218 A CA 0.099 52.101 52.037 -0.058 0.000 0.794 218 A CB 0.121 19.087 19.000 -0.057 0.000 1.029 218 A HN 0.358 nan 8.150 nan 0.000 0.488 219 I N 3.427 123.972 120.570 -0.041 0.000 2.308 219 I HA 0.155 4.325 4.170 -0.001 0.000 0.293 219 I C -1.789 174.322 176.117 -0.011 0.000 1.078 219 I CA -1.726 59.568 61.300 -0.011 0.000 1.292 219 I CB 0.504 38.514 38.000 0.016 0.000 1.423 219 I HN 0.424 nan 8.210 nan 0.000 0.493 220 P HA -0.219 nan 4.420 nan 0.000 0.214 220 P C 1.659 178.958 177.300 -0.002 0.000 1.163 220 P CA 1.445 64.540 63.100 -0.007 0.000 0.889 220 P CB 0.094 31.793 31.700 -0.002 0.000 0.790 221 Q N -0.367 119.438 119.800 0.007 0.000 2.124 221 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 221 Q C 2.094 178.099 176.000 0.009 0.000 0.977 221 Q CA 1.569 57.380 55.803 0.012 0.000 0.850 221 Q CB -1.389 27.362 28.738 0.022 0.000 0.901 221 Q HN 0.319 nan 8.270 nan 0.000 0.429 222 L N 0.327 121.551 121.223 0.003 0.000 2.162 222 L HA -0.045 4.295 4.340 -0.001 0.000 0.205 222 L C 2.549 179.408 176.870 -0.019 0.000 1.086 222 L CA 0.323 55.156 54.840 -0.010 0.000 0.778 222 L CB -0.190 41.853 42.059 -0.028 0.000 0.928 222 L HN 0.008 nan 8.230 nan 0.000 0.446 223 V N 0.370 120.266 119.914 -0.029 0.000 2.343 223 V HA -0.268 3.852 4.120 -0.001 0.000 0.247 223 V C 2.772 178.851 176.094 -0.024 0.000 1.051 223 V CA 1.712 63.988 62.300 -0.041 0.000 1.036 223 V CB -0.777 31.015 31.823 -0.052 0.000 0.654 223 V HN 0.469 nan 8.190 nan 0.000 0.451 224 A N -0.278 122.534 122.820 -0.013 0.000 2.032 224 A HA -0.255 4.065 4.320 -0.001 0.000 0.221 224 A C 1.957 179.544 177.584 0.004 0.000 1.165 224 A CA 1.919 53.953 52.037 -0.005 0.000 0.645 224 A CB -0.408 18.592 19.000 0.001 0.000 0.807 224 A HN 0.683 nan 8.150 nan 0.000 0.453 225 E N -1.681 118.525 120.200 0.011 0.000 2.444 225 E HA 0.333 4.682 4.350 -0.001 0.000 0.191 225 E C 0.977 177.599 176.600 0.036 0.000 1.041 225 E CA 0.202 56.618 56.400 0.028 0.000 0.883 225 E CB -0.016 29.709 29.700 0.043 0.000 1.024 225 E HN 0.710 nan 8.360 nan 0.000 0.470 226 G N 1.395 110.203 108.800 0.015 0.000 2.143 226 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.249 226 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.249 226 G C 0.090 174.997 174.900 0.011 0.000 0.981 226 G CA -0.142 44.966 45.100 0.013 0.000 0.665 226 G HN 0.215 nan 8.290 nan 0.000 0.528 227 L N 1.738 122.961 121.223 0.000 0.000 2.289 227 L HA 0.406 4.746 4.340 -0.001 0.000 0.285 227 L C -1.642 175.156 176.870 -0.120 0.000 1.049 227 L CA -2.171 52.654 54.840 -0.024 0.000 0.804 227 L CB 1.578 43.628 42.059 -0.016 0.000 1.195 227 L HN -0.091 nan 8.230 nan 0.000 0.428 228 P HA 0.137 nan 4.420 nan 0.000 0.244 228 P C -0.873 176.267 177.300 -0.266 0.000 1.769 228 P CA -0.060 62.850 63.100 -0.318 0.000 1.102 228 P CB 0.436 31.797 31.700 -0.565 0.000 1.937 229 A N 4.376 127.085 122.820 -0.185 0.000 2.318 229 A HA 0.722 5.042 4.320 -0.001 0.000 0.324 229 A C -0.425 177.045 177.584 -0.190 0.000 1.170 229 A CA -0.700 51.242 52.037 -0.157 0.000 0.810 229 A CB 0.892 19.852 19.000 -0.068 0.000 1.198 229 A HN 0.393 nan 8.150 nan 0.000 0.484 230 L N 1.216 122.257 121.223 -0.304 0.000 2.301 230 L HA 0.434 4.774 4.340 -0.001 0.000 0.264 230 L C -0.192 176.584 176.870 -0.156 0.000 1.016 230 L CA -1.074 53.591 54.840 -0.291 0.000 0.821 230 L CB 1.773 43.517 42.059 -0.524 0.000 1.346 230 L HN 0.620 nan 8.230 nan 0.000 0.429 231 Q N 1.214 120.993 119.800 -0.036 0.000 2.324 231 Q HA 0.124 4.463 4.340 -0.001 0.000 0.257 231 Q C 0.756 176.825 176.000 0.116 0.000 1.080 231 Q CA 0.019 55.837 55.803 0.025 0.000 0.907 231 Q CB 1.158 29.912 28.738 0.027 0.000 1.274 231 Q HN 0.901 nan 8.270 nan 0.000 0.434 232 G N 2.560 111.410 108.800 0.083 0.000 3.088 232 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.212 232 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.212 232 G C 0.944 175.931 174.900 0.145 0.000 1.173 232 G CA 0.003 45.103 45.100 0.002 0.000 0.779 232 G HN 0.493 nan 8.290 nan 0.000 0.540 233 Q N 0.330 120.194 119.800 0.107 0.000 2.247 233 Q HA 0.076 4.416 4.340 -0.001 0.000 0.204 233 Q C -0.902 175.150 176.000 0.087 0.000 0.872 233 Q CA 0.060 55.927 55.803 0.106 0.000 0.951 233 Q CB 0.453 29.227 28.738 0.060 0.000 1.099 233 Q HN 0.262 nan 8.270 nan 0.000 0.501 234 D N 0.958 121.418 120.400 0.100 0.000 2.549 234 D HA 0.130 4.770 4.640 -0.001 0.000 0.251 234 D C 0.619 176.979 176.300 0.101 0.000 1.153 234 D CA -0.096 53.952 54.000 0.079 0.000 0.861 234 D CB 1.931 42.770 40.800 0.065 0.000 1.207 234 D HN 0.062 nan 8.370 nan 0.000 0.543 235 S N 3.629 119.373 115.700 0.073 0.000 2.442 235 S HA -0.158 4.312 4.470 -0.001 0.000 0.236 235 S C 1.519 176.165 174.600 0.076 0.000 1.007 235 S CA 0.598 58.839 58.200 0.068 0.000 0.965 235 S CB -0.091 63.125 63.200 0.027 0.000 0.773 235 S HN 0.514 nan 8.310 nan 0.000 0.504 236 R N -0.150 120.391 120.500 0.068 0.000 2.316 236 R HA 0.156 4.495 4.340 -0.001 0.000 0.202 236 R C 1.027 177.381 176.300 0.089 0.000 1.029 236 R CA 0.885 57.022 56.100 0.063 0.000 1.018 236 R CB -0.528 29.797 30.300 0.042 0.000 0.888 236 R HN 0.464 nan 8.270 nan 0.000 0.471 237 c N 0.615 119.293 118.600 0.131 0.000 2.754 237 c HA 0.379 4.949 4.570 -0.001 0.000 0.276 237 c C 1.169 175.448 174.090 0.315 0.000 1.264 237 c CA -1.084 55.359 56.329 0.189 0.000 1.700 237 c CB -1.099 41.526 42.510 0.193 0.000 1.885 237 c HN 0.396 nan 8.230 nan 0.000 0.607 238 A N 0.505 123.469 122.820 0.240 0.000 2.466 238 A HA 0.311 4.631 4.320 -0.001 0.000 0.238 238 A C -0.077 177.712 177.584 0.341 0.000 1.074 238 A CA 0.063 52.241 52.037 0.235 0.000 0.774 238 A CB 0.136 19.204 19.000 0.114 0.000 1.015 238 A HN 0.587 nan 8.150 nan 0.000 0.498 239 W N 1.547 122.960 121.300 0.187 0.000 2.257 239 W HA 0.233 4.892 4.660 -0.001 0.000 0.337 239 W C 0.521 177.090 176.519 0.082 0.000 1.321 239 W CA -0.645 56.773 57.345 0.121 0.000 1.267 239 W CB -0.641 28.916 29.460 0.161 0.000 1.187 239 W HN 0.605 nan 8.180 nan 0.000 0.565 240 S N 4.161 119.993 115.700 0.220 0.000 2.576 240 S HA 0.390 4.860 4.470 -0.001 0.000 0.276 240 S C 0.381 175.158 174.600 0.294 0.000 1.339 240 S CA -0.765 57.508 58.200 0.123 0.000 1.039 240 S CB 0.658 63.743 63.200 -0.191 0.000 0.902 240 S HN 0.134 nan 8.310 nan 0.000 0.516 241 R N 2.557 123.196 120.500 0.232 0.000 2.346 241 R HA 0.449 4.789 4.340 -0.001 0.000 0.311 241 R C -0.864 175.573 176.300 0.228 0.000 0.983 241 R CA -0.515 55.719 56.100 0.223 0.000 0.880 241 R CB 0.493 30.881 30.300 0.146 0.000 1.100 241 R HN 0.578 nan 8.270 nan 0.000 0.453 242 D N 3.457 123.974 120.400 0.196 0.000 2.696 242 D HA 0.287 4.927 4.640 -0.001 0.000 0.251 242 D C -1.868 174.467 176.300 0.058 0.000 1.188 242 D CA -2.020 52.053 54.000 0.122 0.000 0.876 242 D CB 2.437 43.270 40.800 0.055 0.000 1.334 242 D HN 0.047 nan 8.370 nan 0.000 0.540 243 P HA -0.062 nan 4.420 nan 0.000 0.218 243 P C 0.894 178.201 177.300 0.011 0.000 1.146 243 P CA 0.874 63.993 63.100 0.031 0.000 0.813 243 P CB 0.301 32.018 31.700 0.028 0.000 0.778 244 A N -0.753 122.064 122.820 -0.006 0.000 2.119 244 A HA 0.294 4.613 4.320 -0.001 0.000 0.216 244 A C 1.330 178.892 177.584 -0.037 0.000 1.152 244 A CA 0.537 52.559 52.037 -0.025 0.000 0.708 244 A CB -0.960 18.017 19.000 -0.038 0.000 0.805 244 A HN 0.252 nan 8.150 nan 0.000 0.460 245 A N -0.639 122.158 122.820 -0.038 0.000 2.425 245 A HA 0.553 4.872 4.320 -0.001 0.000 0.249 245 A C 1.392 178.973 177.584 -0.005 0.000 1.084 245 A CA 0.238 52.252 52.037 -0.037 0.000 0.781 245 A CB 0.235 19.214 19.000 -0.033 0.000 1.019 245 A HN 1.060 nan 8.150 nan 0.000 0.490 246 A N 1.105 123.921 122.820 -0.008 0.000 2.121 246 A HA 0.101 4.420 4.320 -0.001 0.000 0.218 246 A C 0.960 178.560 177.584 0.028 0.000 1.154 246 A CA 1.597 53.636 52.037 0.003 0.000 0.679 246 A CB -0.177 18.816 19.000 -0.011 0.000 0.795 246 A HN 0.873 nan 8.150 nan 0.000 0.458 247 Q N -1.227 118.602 119.800 0.048 0.000 2.309 247 Q HA 0.571 4.911 4.340 -0.001 0.000 0.273 247 Q C -1.111 174.958 176.000 0.115 0.000 1.040 247 Q CA -0.583 55.269 55.803 0.082 0.000 0.834 247 Q CB 1.872 30.669 28.738 0.097 0.000 1.345 247 Q HN 0.306 nan 8.270 nan 0.000 0.414 248 A N 1.613 124.510 122.820 0.127 0.000 2.492 248 A HA 0.501 4.821 4.320 -0.001 0.000 0.254 248 A C 1.108 178.842 177.584 0.250 0.000 1.091 248 A CA 1.072 53.203 52.037 0.156 0.000 0.768 248 A CB -0.580 18.494 19.000 0.123 0.000 1.028 248 A HN 1.466 nan 8.150 nan 0.000 0.498 249 G N 1.366 110.345 108.800 0.300 0.000 2.175 249 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.244 249 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.244 249 G C 0.286 175.430 174.900 0.406 0.000 0.982 249 G CA 0.329 45.713 45.100 0.474 0.000 0.641 249 G HN 1.872 nan 8.290 nan 0.000 0.527 250 I N -0.975 119.738 120.570 0.239 0.000 2.793 250 I HA 0.790 4.960 4.170 -0.001 0.000 0.313 250 I C 0.353 176.472 176.117 0.003 0.000 0.998 250 I CA -0.805 60.552 61.300 0.096 0.000 1.140 250 I CB 1.491 39.535 38.000 0.074 0.000 1.327 250 I HN -0.042 nan 8.210 nan 0.000 0.491 251 T N 4.888 119.399 114.554 -0.072 0.000 2.834 251 T HA 0.270 4.620 4.350 -0.001 0.000 0.298 251 T C -2.327 172.222 174.700 -0.250 0.000 0.966 251 T CA -0.556 61.386 62.100 -0.263 0.000 1.141 251 T CB 0.264 69.069 68.868 -0.104 0.000 0.905 251 T HN 0.492 nan 8.240 nan 0.000 0.535 252 P HA 0.158 nan 4.420 nan 0.000 0.267 252 P C 0.516 177.736 177.300 -0.133 0.000 1.200 252 P CA -0.234 62.740 63.100 -0.211 0.000 0.772 252 P CB 0.423 31.982 31.700 -0.234 0.000 0.855 253 A N 3.496 126.264 122.820 -0.087 0.000 1.940 253 A HA -0.186 4.134 4.320 -0.001 0.000 0.219 253 A C 2.112 179.678 177.584 -0.030 0.000 1.176 253 A CA 2.104 54.105 52.037 -0.059 0.000 0.631 253 A CB -1.653 17.312 19.000 -0.059 0.000 0.814 253 A HN 0.563 nan 8.150 nan 0.000 0.446 254 A N -0.995 121.808 122.820 -0.030 0.000 2.076 254 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 254 A C 1.904 179.515 177.584 0.045 0.000 1.160 254 A CA 1.532 53.570 52.037 0.002 0.000 0.653 254 A CB -0.366 18.625 19.000 -0.013 0.000 0.801 254 A HN 0.689 nan 8.150 nan 0.000 0.455 255 Q N -0.964 118.857 119.800 0.036 0.000 2.247 255 Q HA 0.361 4.701 4.340 -0.001 0.000 0.204 255 Q C -0.628 175.528 176.000 0.259 0.000 0.872 255 Q CA -0.185 55.688 55.803 0.117 0.000 0.951 255 Q CB 0.387 29.141 28.738 0.027 0.000 1.099 255 Q HN 0.548 nan 8.270 nan 0.000 0.501 256 L N 1.624 122.936 121.223 0.149 0.000 2.325 256 L HA 0.451 4.790 4.340 -0.001 0.000 0.278 256 L C -2.321 174.532 176.870 -0.029 0.000 1.023 256 L CA -2.444 52.414 54.840 0.031 0.000 0.811 256 L CB 1.087 43.118 42.059 -0.046 0.000 1.249 256 L HN -0.203 nan 8.230 nan 0.000 0.431 257 P HA 0.092 nan 4.420 nan 0.000 0.267 257 P C -1.069 176.199 177.300 -0.052 0.000 1.205 257 P CA 0.034 62.913 63.100 -0.369 0.000 0.765 257 P CB 0.778 32.112 31.700 -0.609 0.000 0.828 258 V N 4.741 124.710 119.914 0.091 0.000 2.686 258 V HA 0.404 4.524 4.120 -0.001 0.000 0.306 258 V C -0.636 175.556 176.094 0.164 0.000 1.065 258 V CA -0.587 61.763 62.300 0.083 0.000 0.894 258 V CB 2.212 34.054 31.823 0.032 0.000 1.004 258 V HN 0.290 nan 8.190 nan 0.000 0.424 259 L N 5.351 126.699 121.223 0.208 0.000 2.376 259 L HA 0.736 5.076 4.340 -0.001 0.000 0.275 259 L C -1.161 175.770 176.870 0.100 0.000 0.987 259 L CA -0.400 54.530 54.840 0.149 0.000 0.828 259 L CB 1.595 43.739 42.059 0.142 0.000 1.249 259 L HN 0.653 nan 8.230 nan 0.000 0.409 260 L N 5.762 127.017 121.223 0.053 0.000 2.316 260 L HA 0.688 5.028 4.340 -0.001 0.000 0.280 260 L C -0.683 176.191 176.870 0.007 0.000 1.006 260 L CA 0.117 54.975 54.840 0.031 0.000 0.836 260 L CB 0.848 42.919 42.059 0.020 0.000 1.221 260 L HN 0.685 nan 8.230 nan 0.000 0.418 261 R N 3.312 123.811 120.500 -0.003 0.000 2.869 261 R HA 0.571 4.911 4.340 -0.001 0.000 0.263 261 R C 0.025 176.315 176.300 -0.016 0.000 1.066 261 R CA -0.839 55.243 56.100 -0.030 0.000 0.960 261 R CB 1.834 32.083 30.300 -0.084 0.000 1.221 261 R HN 0.489 nan 8.270 nan 0.000 0.474 262 R N 0.181 120.667 120.500 -0.023 0.000 2.437 262 R HA 0.033 4.373 4.340 -0.001 0.000 0.257 262 R C 0.085 176.391 176.300 0.010 0.000 0.927 262 R CA 0.291 56.390 56.100 -0.002 0.000 1.078 262 R CB 0.415 30.712 30.300 -0.004 0.000 1.161 262 R HN 0.611 nan 8.270 nan 0.000 0.529 263 D N 0.694 121.085 120.400 -0.016 0.000 2.648 263 D HA -0.013 4.627 4.640 -0.001 0.000 0.261 263 D C 0.590 176.979 176.300 0.148 0.000 1.261 263 D CA 0.579 54.599 54.000 0.034 0.000 1.011 263 D CB -0.116 40.672 40.800 -0.019 0.000 1.092 263 D HN 0.065 nan 8.370 nan 0.000 0.417 264 F N -0.776 119.170 119.950 -0.007 0.000 2.713 264 F HA 0.636 5.162 4.527 -0.001 0.000 0.311 264 F C -1.520 174.279 175.800 -0.000 0.000 1.141 264 F CA -1.646 56.352 58.000 -0.003 0.000 0.939 264 F CB 1.461 40.449 39.000 -0.021 0.000 1.325 264 F HN 0.099 nan 8.300 nan 0.000 0.453 265 V N 0.428 120.490 119.914 0.247 0.000 2.876 265 V HA 0.939 5.059 4.120 -0.001 0.000 0.312 265 V C -1.406 174.863 176.094 0.292 0.000 1.085 265 V CA -0.711 61.695 62.300 0.178 0.000 0.945 265 V CB 1.328 33.222 31.823 0.118 0.000 1.017 265 V HN 1.295 nan 8.190 nan 0.000 0.428 266 Q N 1.734 121.660 119.800 0.210 0.000 2.456 266 Q HA 0.672 5.012 4.340 -0.001 0.000 0.284 266 Q C -1.343 174.700 176.000 0.073 0.000 1.061 266 Q CA -0.616 55.283 55.803 0.161 0.000 0.799 266 Q CB 2.104 30.935 28.738 0.156 0.000 1.445 266 Q HN 0.911 nan 8.270 nan 0.000 0.411 267 N N 0.064 118.831 118.700 0.113 0.000 2.431 267 N HA 0.342 5.082 4.740 -0.001 0.000 0.275 267 N C -1.448 174.129 175.510 0.112 0.000 1.091 267 N CA -0.339 52.773 53.050 0.102 0.000 0.922 267 N CB 2.038 40.628 38.487 0.172 0.000 1.666 267 N HN 0.606 nan 8.380 nan 0.000 0.484 268 S N 2.253 118.020 115.700 0.113 0.000 2.422 268 S HA 0.268 4.738 4.470 -0.001 0.000 0.226 268 S C 0.114 174.780 174.600 0.109 0.000 1.242 268 S CA -0.440 57.817 58.200 0.096 0.000 1.231 268 S CB -0.584 62.706 63.200 0.150 0.000 1.067 268 S HN 0.825 nan 8.310 nan 0.000 0.462 269 N N 0.970 119.744 118.700 0.123 0.000 2.909 269 N HA -0.143 4.596 4.740 -0.001 0.000 0.242 269 N C -0.618 174.980 175.510 0.147 0.000 0.975 269 N CA 1.057 54.194 53.050 0.145 0.000 0.921 269 N CB -0.750 37.819 38.487 0.136 0.000 1.112 269 N HN 0.461 nan 8.380 nan 0.000 0.581 270 D N 0.300 120.783 120.400 0.138 0.000 2.478 270 D HA 0.252 4.892 4.640 -0.001 0.000 0.269 270 D C 0.935 177.324 176.300 0.149 0.000 1.232 270 D CA 0.051 54.134 54.000 0.139 0.000 1.059 270 D CB 0.525 41.406 40.800 0.135 0.000 1.104 270 D HN 0.210 nan 8.370 nan 0.000 0.566 271 S N -0.870 114.925 115.700 0.158 0.000 2.626 271 S HA 0.248 4.718 4.470 -0.001 0.000 0.257 271 S C 1.202 175.889 174.600 0.144 0.000 1.288 271 S CA -0.050 58.246 58.200 0.160 0.000 0.980 271 S CB 0.889 64.186 63.200 0.160 0.000 0.975 271 S HN 0.506 nan 8.310 nan 0.000 0.577 272 A N -0.085 122.818 122.820 0.140 0.000 2.070 272 A HA -0.031 4.289 4.320 -0.001 0.000 0.220 272 A C 1.710 179.333 177.584 0.066 0.000 1.159 272 A CA 1.365 53.432 52.037 0.050 0.000 0.656 272 A CB -1.399 17.669 19.000 0.112 0.000 0.800 272 A HN 0.987 nan 8.150 nan 0.000 0.453 273 W N 0.535 121.827 121.300 -0.013 0.000 2.289 273 W HA -0.214 4.446 4.660 -0.001 0.000 0.331 273 W C 1.078 177.596 176.519 -0.002 0.000 1.283 273 W CA 2.097 59.460 57.345 0.029 0.000 1.252 273 W CB -0.610 28.887 29.460 0.062 0.000 1.153 273 W HN 0.216 nan 8.180 nan 0.000 0.467 274 L N 0.793 121.928 121.223 -0.147 0.000 2.984 274 L HA 0.112 4.451 4.340 -0.001 0.000 0.246 274 L C 1.752 178.510 176.870 -0.187 0.000 1.268 274 L CA 0.060 54.702 54.840 -0.330 0.000 1.054 274 L CB -0.567 41.217 42.059 -0.457 0.000 1.393 274 L HN -0.150 nan 8.230 nan 0.000 0.532 275 T N -0.084 114.338 114.554 -0.219 0.000 2.649 275 T HA -0.206 4.143 4.350 -0.001 0.000 0.268 275 T C 1.024 175.632 174.700 -0.152 0.000 1.036 275 T CA 1.588 63.516 62.100 -0.286 0.000 1.157 275 T CB -0.162 68.351 68.868 -0.591 0.000 0.861 275 T HN 0.281 nan 8.240 nan 0.000 0.445 276 N N 0.075 118.655 118.700 -0.200 0.000 2.533 276 N HA 0.241 4.981 4.740 -0.001 0.000 0.289 276 N C -2.725 172.662 175.510 -0.206 0.000 1.103 276 N CA -1.995 50.891 53.050 -0.273 0.000 0.877 276 N CB 2.198 40.367 38.487 -0.529 0.000 1.419 276 N HN -0.155 nan 8.380 nan 0.000 0.517 277 P HA -0.031 nan 4.420 nan 0.000 0.221 277 P C 0.823 178.050 177.300 -0.123 0.000 1.145 277 P CA 0.882 63.885 63.100 -0.161 0.000 0.795 277 P CB 0.322 31.954 31.700 -0.113 0.000 0.775 278 A N -1.514 121.232 122.820 -0.125 0.000 2.119 278 A HA 0.012 4.332 4.320 -0.001 0.000 0.217 278 A C 1.571 179.106 177.584 -0.081 0.000 1.153 278 A CA 1.159 53.137 52.037 -0.097 0.000 0.692 278 A CB -0.517 18.414 19.000 -0.115 0.000 0.799 278 A HN 0.172 nan 8.150 nan 0.000 0.458 279 S N 0.441 116.086 115.700 -0.093 0.000 2.317 279 S HA 0.447 4.917 4.470 -0.001 0.000 0.144 279 S C -3.037 171.556 174.600 -0.011 0.000 1.660 279 S CA -1.359 56.815 58.200 -0.044 0.000 1.273 279 S CB 0.181 63.349 63.200 -0.052 0.000 1.330 279 S HN 0.075 nan 8.310 nan 0.000 0.395 280 P HA 0.150 nan 4.420 nan 0.000 0.266 280 P C -0.918 176.517 177.300 0.225 0.000 1.195 280 P CA -0.088 63.060 63.100 0.081 0.000 0.768 280 P CB 0.437 32.228 31.700 0.151 0.000 0.838 281 L N 4.041 125.456 121.223 0.321 0.000 2.255 281 L HA 0.334 4.674 4.340 -0.001 0.000 0.289 281 L C 0.652 177.850 176.870 0.546 0.000 1.046 281 L CA 0.034 55.127 54.840 0.422 0.000 0.816 281 L CB 0.261 42.517 42.059 0.329 0.000 1.197 281 L HN 0.350 nan 8.230 nan 0.000 0.427 282 Q N 1.594 121.657 119.800 0.438 0.000 2.495 282 Q HA 0.540 4.879 4.340 -0.001 0.000 0.287 282 Q C 0.429 176.420 176.000 -0.015 0.000 1.078 282 Q CA -0.555 55.392 55.803 0.240 0.000 0.793 282 Q CB 2.372 31.198 28.738 0.147 0.000 1.459 282 Q HN 0.726 nan 8.270 nan 0.000 0.422 283 G N 0.383 109.146 108.800 -0.062 0.000 2.137 283 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.237 283 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.237 283 G C -0.545 174.158 174.900 -0.329 0.000 1.002 283 G CA -0.062 44.916 45.100 -0.204 0.000 0.702 283 G HN 0.326 nan 8.290 nan 0.000 0.515 284 F N 0.768 120.722 119.950 0.007 0.000 2.380 284 F HA 0.710 5.237 4.527 -0.001 0.000 0.321 284 F C 1.270 177.067 175.800 -0.004 0.000 1.103 284 F CA -0.108 57.900 58.000 0.013 0.000 1.067 284 F CB 1.254 40.272 39.000 0.029 0.000 1.265 284 F HN 0.098 nan 8.300 nan 0.000 0.517 285 S N 2.693 118.516 115.700 0.206 0.000 2.563 285 S HA 0.061 4.530 4.470 -0.001 0.000 0.284 285 S C -1.354 173.281 174.600 0.058 0.000 1.331 285 S CA -1.121 57.135 58.200 0.094 0.000 1.047 285 S CB 0.585 63.837 63.200 0.086 0.000 0.859 285 S HN 0.390 nan 8.310 nan 0.000 0.514 286 P HA -0.089 nan 4.420 nan 0.000 0.219 286 P C 1.280 178.545 177.300 -0.058 0.000 1.146 286 P CA 1.081 64.164 63.100 -0.028 0.000 0.808 286 P CB -0.060 31.611 31.700 -0.047 0.000 0.779 287 L N -1.585 119.591 121.223 -0.080 0.000 2.376 287 L HA -0.064 4.276 4.340 -0.001 0.000 0.219 287 L C 2.358 179.152 176.870 -0.126 0.000 1.133 287 L CA 0.739 55.494 54.840 -0.141 0.000 0.816 287 L CB -0.389 41.560 42.059 -0.183 0.000 0.933 287 L HN -0.130 nan 8.230 nan 0.000 0.449 288 V N -2.739 117.145 119.914 -0.051 0.000 2.599 288 V HA 0.128 4.248 4.120 -0.001 0.000 0.237 288 V C 0.677 176.751 176.094 -0.034 0.000 1.081 288 V CA 0.531 62.806 62.300 -0.041 0.000 1.107 288 V CB 0.866 32.705 31.823 0.027 0.000 0.808 288 V HN 0.281 nan 8.190 nan 0.000 0.486 289 S N -0.602 115.107 115.700 0.015 0.000 2.563 289 S HA 0.503 4.973 4.470 -0.001 0.000 0.279 289 S C -1.488 173.144 174.600 0.054 0.000 1.155 289 S CA -0.614 57.603 58.200 0.029 0.000 0.928 289 S CB 1.506 64.690 63.200 -0.027 0.000 1.107 289 S HN 0.390 nan 8.310 nan 0.000 0.462 290 Q N 1.944 121.756 119.800 0.019 0.000 2.387 290 Q HA 0.398 4.737 4.340 -0.001 0.000 0.273 290 Q C -0.935 174.987 176.000 -0.130 0.000 1.089 290 Q CA -0.914 54.858 55.803 -0.053 0.000 0.824 290 Q CB 2.058 30.764 28.738 -0.054 0.000 1.367 290 Q HN 0.658 nan 8.270 nan 0.000 0.443 291 E N 1.940 121.911 120.200 -0.383 0.000 1.852 291 E HA 0.109 4.459 4.350 -0.001 0.000 0.276 291 E C -0.581 175.734 176.600 -0.475 0.000 1.163 291 E CA -0.062 55.792 56.400 -0.910 0.000 1.117 291 E CB 0.248 28.977 29.700 -1.617 0.000 1.124 291 E HN -0.023 nan 8.360 nan 0.000 0.458 292 K N 1.866 122.226 120.400 -0.067 0.000 2.118 292 K HA 0.392 4.712 4.320 -0.001 0.000 0.254 292 K C -2.414 174.233 176.600 0.078 0.000 0.961 292 K CA -2.606 53.669 56.287 -0.019 0.000 0.876 292 K CB 0.758 33.252 32.500 -0.011 0.000 1.077 292 K HN 0.076 nan 8.250 nan 0.000 0.440 293 P HA 0.035 nan 4.420 nan 0.000 0.265 293 P C -0.096 177.179 177.300 -0.043 0.000 1.193 293 P CA 0.005 62.833 63.100 -0.453 0.000 0.765 293 P CB 0.093 31.191 31.700 -1.004 0.000 0.823 294 I N -0.201 120.425 120.570 0.093 0.000 2.720 294 I HA 0.483 4.652 4.170 -0.001 0.000 0.287 294 I C 0.889 177.080 176.117 0.124 0.000 1.090 294 I CA -0.621 60.751 61.300 0.120 0.000 1.384 294 I CB 0.390 38.458 38.000 0.115 0.000 1.420 294 I HN 0.248 nan 8.210 nan 0.000 0.575 295 G N 3.604 112.489 108.800 0.142 0.000 2.634 295 G HA2 0.321 4.281 3.960 -0.001 0.000 0.255 295 G HA3 0.321 4.281 3.960 -0.001 0.000 0.255 295 G C -1.487 173.549 174.900 0.228 0.000 1.205 295 G CA -1.021 44.185 45.100 0.177 0.000 0.884 295 G HN 0.669 nan 8.290 nan 0.000 0.549 296 P HA -0.057 nan 4.420 nan 0.000 0.221 296 P C 1.590 179.114 177.300 0.373 0.000 1.150 296 P CA 0.708 64.059 63.100 0.418 0.000 0.800 296 P CB 0.289 32.272 31.700 0.471 0.000 0.787 297 R N 0.208 120.892 120.500 0.307 0.000 2.073 297 R HA -0.055 4.284 4.340 -0.001 0.000 0.234 297 R C 2.511 179.020 176.300 0.348 0.000 1.134 297 R CA 1.699 58.019 56.100 0.367 0.000 0.952 297 R CB -1.033 29.462 30.300 0.325 0.000 0.850 297 R HN 0.133 nan 8.270 nan 0.000 0.433 298 A N 1.009 123.971 122.820 0.238 0.000 1.902 298 A HA -0.186 4.133 4.320 -0.001 0.000 0.217 298 A C 2.131 179.741 177.584 0.044 0.000 1.181 298 A CA 1.363 53.493 52.037 0.154 0.000 0.623 298 A CB -0.457 18.616 19.000 0.122 0.000 0.818 298 A HN 0.238 nan 8.150 nan 0.000 0.443 299 R N -1.934 118.606 120.500 0.066 0.000 2.081 299 R HA -0.197 4.143 4.340 -0.001 0.000 0.235 299 R C 2.068 178.159 176.300 -0.349 0.000 1.131 299 R CA 1.911 58.018 56.100 0.011 0.000 0.960 299 R CB -0.525 29.934 30.300 0.265 0.000 0.856 299 R HN 0.620 nan 8.270 nan 0.000 0.436 300 Y N 0.661 120.488 120.300 -0.789 0.000 2.097 300 Y HA -0.232 4.318 4.550 -0.000 0.000 0.282 300 Y C 2.091 177.604 175.900 -0.645 0.000 1.152 300 Y CA 1.752 59.132 58.100 -1.201 0.000 1.136 300 Y CB -0.655 37.300 38.460 -0.840 0.000 0.975 300 Y HN 0.176 nan 8.280 nan 0.000 0.498 301 A N 0.587 123.085 122.820 -0.536 0.000 1.883 301 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 301 A C 2.341 179.602 177.584 -0.539 0.000 1.186 301 A CA 2.058 53.729 52.037 -0.610 0.000 0.624 301 A CB -1.300 17.567 19.000 -0.222 0.000 0.822 301 A HN 0.580 nan 8.150 nan 0.000 0.444 302 L N 0.554 121.566 121.223 -0.351 0.000 2.131 302 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 302 L C 2.964 179.648 176.870 -0.309 0.000 1.092 302 L CA 1.542 56.217 54.840 -0.275 0.000 0.759 302 L CB -0.490 41.499 42.059 -0.117 0.000 0.903 302 L HN 0.647 nan 8.230 nan 0.000 0.435 303 S N -0.580 114.896 115.700 -0.374 0.000 2.423 303 S HA -0.110 4.360 4.470 -0.001 0.000 0.231 303 S C 2.044 176.423 174.600 -0.369 0.000 1.014 303 S CA 0.485 58.500 58.200 -0.308 0.000 0.965 303 S CB -0.141 62.898 63.200 -0.267 0.000 0.785 303 S HN 0.347 nan 8.310 nan 0.000 0.495 304 R N 0.620 120.794 120.500 -0.544 0.000 2.189 304 R HA 0.395 4.735 4.340 -0.001 0.000 0.203 304 R C 2.075 178.119 176.300 -0.426 0.000 1.012 304 R CA 0.436 56.236 56.100 -0.499 0.000 1.015 304 R CB -0.775 29.129 30.300 -0.660 0.000 0.938 304 R HN 0.449 nan 8.270 nan 0.000 0.472 305 L N 0.553 121.470 121.223 -0.510 0.000 2.298 305 L HA 0.078 4.417 4.340 -0.001 0.000 0.209 305 L C 0.862 177.441 176.870 -0.485 0.000 1.084 305 L CA 0.432 54.876 54.840 -0.661 0.000 0.816 305 L CB -0.082 41.260 42.059 -1.196 0.000 0.967 305 L HN 0.060 nan 8.230 nan 0.000 0.460 306 Q N 0.089 119.718 119.800 -0.284 0.000 2.392 306 Q HA 0.400 4.740 4.340 -0.001 0.000 0.262 306 Q C 0.384 176.355 176.000 -0.049 0.000 1.003 306 Q CA 0.713 56.490 55.803 -0.044 0.000 0.888 306 Q CB 1.002 29.738 28.738 -0.003 0.000 1.260 306 Q HN 0.301 nan 8.270 nan 0.000 0.435 307 G N 0.831 109.639 108.800 0.012 0.000 2.306 307 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.262 307 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.262 307 G C -0.458 174.446 174.900 0.006 0.000 1.263 307 G CA -0.621 44.473 45.100 -0.010 0.000 1.088 307 G HN 0.457 nan 8.290 nan 0.000 0.489 308 K N -0.096 120.298 120.400 -0.011 0.000 2.412 308 K HA 0.213 4.532 4.320 -0.001 0.000 0.202 308 K C 0.614 177.206 176.600 -0.013 0.000 1.102 308 K CA 0.115 56.400 56.287 -0.005 0.000 1.027 308 K CB 0.567 33.062 32.500 -0.009 0.000 0.931 308 K HN 0.433 nan 8.250 nan 0.000 0.557 309 Q N 1.858 121.640 119.800 -0.030 0.000 2.314 309 Q HA 0.232 4.572 4.340 -0.001 0.000 0.258 309 Q C -2.356 173.622 176.000 -0.037 0.000 0.954 309 Q CA -2.166 53.614 55.803 -0.038 0.000 0.890 309 Q CB 0.153 28.858 28.738 -0.054 0.000 1.210 309 Q HN -0.025 nan 8.270 nan 0.000 0.410 310 P HA 0.069 nan 4.420 nan 0.000 0.268 310 P C -0.600 176.675 177.300 -0.042 0.000 1.205 310 P CA 0.102 63.186 63.100 -0.026 0.000 0.771 310 P CB 0.457 32.144 31.700 -0.021 0.000 0.858 311 L N 2.962 124.162 121.223 -0.039 0.000 2.264 311 L HA 0.329 4.669 4.340 -0.001 0.000 0.289 311 L C 0.892 177.735 176.870 -0.046 0.000 1.044 311 L CA -0.304 54.501 54.840 -0.058 0.000 0.807 311 L CB 0.711 42.729 42.059 -0.067 0.000 1.192 311 L HN 0.316 nan 8.230 nan 0.000 0.425 312 E N 1.198 121.363 120.200 -0.058 0.000 2.250 312 E HA 0.373 4.722 4.350 -0.001 0.000 0.269 312 E C 0.608 177.172 176.600 -0.059 0.000 1.018 312 E CA -0.326 56.041 56.400 -0.053 0.000 0.873 312 E CB 1.708 31.373 29.700 -0.059 0.000 1.134 312 E HN 0.697 nan 8.360 nan 0.000 0.403 313 A N 2.249 125.035 122.820 -0.057 0.000 1.917 313 A HA -0.279 4.041 4.320 -0.001 0.000 0.219 313 A C 1.982 179.520 177.584 -0.077 0.000 1.182 313 A CA 2.002 54.002 52.037 -0.060 0.000 0.633 313 A CB -0.408 18.552 19.000 -0.067 0.000 0.819 313 A HN 0.647 nan 8.150 nan 0.000 0.448 314 K N -0.949 119.395 120.400 -0.094 0.000 2.103 314 K HA -0.162 4.158 4.320 -0.001 0.000 0.207 314 K C 2.026 178.549 176.600 -0.128 0.000 1.048 314 K CA 1.896 58.108 56.287 -0.125 0.000 0.930 314 K CB -0.359 32.073 32.500 -0.114 0.000 0.716 314 K HN 0.538 nan 8.250 nan 0.000 0.444 315 T N 2.074 116.565 114.554 -0.105 0.000 2.684 315 T HA -0.158 4.191 4.350 -0.001 0.000 0.267 315 T C 1.834 176.475 174.700 -0.099 0.000 1.036 315 T CA 1.516 63.550 62.100 -0.109 0.000 1.148 315 T CB -0.201 68.600 68.868 -0.112 0.000 0.863 315 T HN 0.178 nan 8.240 nan 0.000 0.436 316 L N 0.660 121.840 121.223 -0.071 0.000 2.056 316 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 316 L C 2.840 179.729 176.870 0.031 0.000 1.078 316 L CA 1.477 56.309 54.840 -0.014 0.000 0.749 316 L CB -0.649 41.419 42.059 0.014 0.000 0.901 316 L HN 0.382 nan 8.230 nan 0.000 0.433 317 E N 0.941 121.105 120.200 -0.060 0.000 2.058 317 E HA -0.261 4.088 4.350 -0.001 0.000 0.194 317 E C 1.921 178.361 176.600 -0.266 0.000 0.997 317 E CA 1.582 57.818 56.400 -0.273 0.000 0.801 317 E CB 0.042 29.403 29.700 -0.565 0.000 0.746 317 E HN 0.494 nan 8.360 nan 0.000 0.450 318 E N -0.201 119.880 120.200 -0.198 0.000 2.268 318 E HA -0.144 4.206 4.350 -0.001 0.000 0.195 318 E C 2.068 178.653 176.600 -0.025 0.000 0.995 318 E CA 0.772 57.087 56.400 -0.142 0.000 0.836 318 E CB -0.051 29.566 29.700 -0.139 0.000 0.763 318 E HN 0.419 nan 8.360 nan 0.000 0.491 319 M N 0.107 119.721 119.600 0.024 0.000 2.279 319 M HA -0.152 4.328 4.480 -0.001 0.000 0.264 319 M C 2.115 178.576 176.300 0.269 0.000 1.062 319 M CA 1.029 56.406 55.300 0.127 0.000 1.099 319 M CB 0.071 32.665 32.600 -0.010 0.000 1.394 319 M HN 0.025 nan 8.290 nan 0.000 0.426 320 V N -0.526 119.568 119.914 0.301 0.000 2.331 320 V HA -0.153 3.967 4.120 -0.001 0.000 0.242 320 V C 2.486 178.715 176.094 0.225 0.000 1.034 320 V CA 2.133 64.665 62.300 0.388 0.000 1.027 320 V CB -1.006 31.154 31.823 0.562 0.000 0.667 320 V HN 0.567 nan 8.190 nan 0.000 0.457 321 T N -1.238 113.365 114.554 0.081 0.000 3.085 321 T HA 0.078 4.428 4.350 -0.001 0.000 0.263 321 T C 1.766 176.450 174.700 -0.026 0.000 1.127 321 T CA 1.016 63.107 62.100 -0.015 0.000 1.103 321 T CB -0.139 68.605 68.868 -0.208 0.000 0.921 321 T HN 0.388 nan 8.240 nan 0.000 0.510 322 A N 2.314 125.130 122.820 -0.008 0.000 2.015 322 A HA -0.012 4.308 4.320 -0.001 0.000 0.219 322 A C 1.334 178.913 177.584 -0.009 0.000 1.163 322 A CA 0.855 52.882 52.037 -0.016 0.000 0.646 322 A CB -0.669 18.331 19.000 -0.001 0.000 0.806 322 A HN 0.606 nan 8.150 nan 0.000 0.448 323 N N -0.512 118.194 118.700 0.010 0.000 2.727 323 N HA -0.213 4.527 4.740 -0.001 0.000 0.249 323 N C -0.219 175.238 175.510 -0.089 0.000 1.048 323 N CA 1.202 54.242 53.050 -0.017 0.000 0.714 323 N CB -1.781 36.702 38.487 -0.006 0.000 0.959 323 N HN 0.836 nan 8.380 nan 0.000 0.544 324 H N -0.060 118.887 119.070 -0.205 0.000 2.767 324 H HA 0.310 4.866 4.556 -0.001 0.000 0.316 324 H C -0.038 175.152 175.328 -0.230 0.000 1.059 324 H CA 0.012 55.911 56.048 -0.247 0.000 1.461 324 H CB 0.696 30.335 29.762 -0.206 0.000 1.475 324 H HN -0.033 nan 8.280 nan 0.000 0.531 325 V N 8.934 128.400 119.914 -0.747 0.000 2.223 325 V HA -0.070 4.049 4.120 -0.001 0.000 0.249 325 V C 1.160 176.919 176.094 -0.559 0.000 1.233 325 V CA 0.054 62.069 62.300 -0.475 0.000 1.131 325 V CB -1.318 30.307 31.823 -0.331 0.000 1.298 325 V HN 0.795 nan 8.190 nan 0.000 0.498 326 F N 3.156 122.845 119.950 -0.436 0.000 2.269 326 F HA -0.145 4.381 4.527 -0.001 0.000 0.301 326 F C 2.311 178.139 175.800 0.047 0.000 1.082 326 F CA 1.779 59.674 58.000 -0.175 0.000 1.360 326 F CB 0.158 39.216 39.000 0.096 0.000 1.041 326 F HN 0.444 nan 8.300 nan 0.000 0.512 327 S N 0.193 115.977 115.700 0.140 0.000 2.419 327 S HA -0.145 4.324 4.470 -0.001 0.000 0.233 327 S C 2.328 177.076 174.600 0.246 0.000 1.016 327 S CA 0.815 59.183 58.200 0.280 0.000 0.974 327 S CB -0.667 62.902 63.200 0.614 0.000 0.786 327 S HN 0.521 nan 8.310 nan 0.000 0.492 328 A N 1.895 124.671 122.820 -0.074 0.000 1.972 328 A HA -0.166 4.154 4.320 -0.001 0.000 0.219 328 A C 1.720 179.193 177.584 -0.185 0.000 1.169 328 A CA 1.698 53.526 52.037 -0.348 0.000 0.635 328 A CB -0.618 17.907 19.000 -0.792 0.000 0.810 328 A HN 0.346 nan 8.150 nan 0.000 0.446 329 D N -0.483 119.761 120.400 -0.259 0.000 2.182 329 D HA -0.136 4.503 4.640 -0.001 0.000 0.201 329 D C 2.028 178.252 176.300 -0.125 0.000 0.986 329 D CA 1.544 55.410 54.000 -0.224 0.000 0.847 329 D CB -0.226 40.333 40.800 -0.401 0.000 0.942 329 D HN 0.548 nan 8.370 nan 0.000 0.467 330 Q N -0.880 118.880 119.800 -0.065 0.000 2.331 330 Q HA 0.097 4.437 4.340 -0.001 0.000 0.203 330 Q C 1.728 177.885 176.000 0.261 0.000 0.944 330 Q CA 0.399 56.273 55.803 0.117 0.000 0.892 330 Q CB 0.640 29.493 28.738 0.193 0.000 0.983 330 Q HN 0.160 nan 8.270 nan 0.000 0.482 331 V N -1.192 118.851 119.914 0.216 0.000 3.137 331 V HA 0.025 4.144 4.120 -0.001 0.000 0.236 331 V C 1.397 177.536 176.094 0.075 0.000 1.260 331 V CA 0.189 62.584 62.300 0.158 0.000 1.244 331 V CB 0.027 31.950 31.823 0.167 0.000 1.016 331 V HN 0.185 nan 8.190 nan 0.000 0.477 332 L N 1.568 122.843 121.223 0.087 0.000 2.093 332 L HA 0.027 4.367 4.340 -0.001 0.000 0.208 332 L C -0.372 176.484 176.870 -0.024 0.000 1.085 332 L CA 2.422 57.275 54.840 0.022 0.000 0.755 332 L CB -1.383 40.649 42.059 -0.045 0.000 0.904 332 L HN 0.229 nan 8.230 nan 0.000 0.435 333 P HA -0.137 nan 4.420 nan 0.000 0.215 333 P C 0.948 178.237 177.300 -0.017 0.000 1.157 333 P CA 1.642 64.730 63.100 -0.020 0.000 0.868 333 P CB -0.040 31.655 31.700 -0.008 0.000 0.788 334 D N -1.246 119.152 120.400 -0.003 0.000 2.183 334 D HA -0.092 4.547 4.640 -0.001 0.000 0.203 334 D C 1.874 178.144 176.300 -0.049 0.000 0.969 334 D CA 0.662 54.659 54.000 -0.004 0.000 0.842 334 D CB -0.803 40.018 40.800 0.036 0.000 0.957 334 D HN 0.002 nan 8.370 nan 0.000 0.484 335 L N 0.690 121.851 121.223 -0.102 0.000 2.042 335 L HA -0.116 4.224 4.340 -0.001 0.000 0.210 335 L C 2.144 178.930 176.870 -0.139 0.000 1.076 335 L CA 1.368 56.089 54.840 -0.197 0.000 0.749 335 L CB -0.514 41.346 42.059 -0.332 0.000 0.893 335 L HN 0.024 nan 8.230 nan 0.000 0.432 336 L N -1.277 119.892 121.223 -0.090 0.000 2.141 336 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 336 L C 2.697 179.535 176.870 -0.053 0.000 1.094 336 L CA 0.995 55.794 54.840 -0.067 0.000 0.763 336 L CB -0.475 41.556 42.059 -0.046 0.000 0.908 336 L HN 0.237 nan 8.230 nan 0.000 0.437 337 R N 0.012 120.487 120.500 -0.042 0.000 2.073 337 R HA -0.180 4.160 4.340 -0.001 0.000 0.234 337 R C 2.323 178.606 176.300 -0.030 0.000 1.134 337 R CA 1.383 57.466 56.100 -0.027 0.000 0.952 337 R CB -0.539 29.753 30.300 -0.012 0.000 0.850 337 R HN 0.258 nan 8.270 nan 0.000 0.433 338 L N 0.475 121.675 121.223 -0.039 0.000 2.042 338 L HA -0.269 4.071 4.340 -0.001 0.000 0.210 338 L C 2.273 179.115 176.870 -0.046 0.000 1.076 338 L CA 1.571 56.389 54.840 -0.037 0.000 0.749 338 L CB -0.304 41.728 42.059 -0.045 0.000 0.893 338 L HN 0.290 nan 8.230 nan 0.000 0.432 339 c N 0.057 118.616 118.600 -0.068 0.000 2.393 339 c HA -0.187 4.383 4.570 -0.001 0.000 0.276 339 c C 2.822 176.883 174.090 -0.049 0.000 1.215 339 c CA 1.256 57.544 56.329 -0.069 0.000 1.743 339 c CB -1.138 41.320 42.510 -0.086 0.000 2.044 339 c HN 0.512 nan 8.230 nan 0.000 0.464 340 R N 0.383 120.858 120.500 -0.041 0.000 2.115 340 R HA -0.102 4.238 4.340 -0.001 0.000 0.230 340 R C 1.428 177.714 176.300 -0.023 0.000 1.111 340 R CA 1.268 57.350 56.100 -0.030 0.000 0.976 340 R CB -0.405 29.880 30.300 -0.025 0.000 0.870 340 R HN 0.557 nan 8.270 nan 0.000 0.445 341 D N 0.115 120.503 120.400 -0.021 0.000 2.348 341 D HA -0.044 4.596 4.640 -0.001 0.000 0.216 341 D C 0.481 176.773 176.300 -0.013 0.000 0.970 341 D CA 0.907 54.899 54.000 -0.013 0.000 0.889 341 D CB 0.037 40.832 40.800 -0.009 0.000 0.912 341 D HN 0.180 nan 8.370 nan 0.000 0.524 342 N N 0.304 118.992 118.700 -0.020 0.000 2.433 342 N HA 0.070 4.809 4.740 -0.001 0.000 0.270 342 N C 0.780 176.277 175.510 -0.022 0.000 1.354 342 N CA -0.014 53.025 53.050 -0.018 0.000 0.889 342 N CB 0.900 39.375 38.487 -0.019 0.000 1.285 342 N HN 0.176 nan 8.380 nan 0.000 0.503 343 Q N 0.030 119.817 119.800 -0.022 0.000 2.291 343 Q HA -0.045 4.295 4.340 -0.001 0.000 0.206 343 Q C 1.945 177.933 176.000 -0.020 0.000 0.976 343 Q CA 1.307 57.096 55.803 -0.024 0.000 0.875 343 Q CB -0.013 28.712 28.738 -0.022 0.000 0.927 343 Q HN 0.335 nan 8.270 nan 0.000 0.450 344 G N 0.479 109.270 108.800 -0.015 0.000 2.598 344 G HA2 -0.151 3.809 3.960 -0.001 0.000 0.215 344 G HA3 -0.151 3.809 3.960 -0.001 0.000 0.215 344 G C 0.093 174.986 174.900 -0.012 0.000 1.131 344 G CA -0.004 45.089 45.100 -0.012 0.000 0.785 344 G HN 0.220 nan 8.290 nan 0.000 0.539 345 E N 0.034 120.225 120.200 -0.014 0.000 2.115 345 E HA 0.247 4.597 4.350 -0.001 0.000 0.282 345 E C 0.509 177.099 176.600 -0.016 0.000 0.987 345 E CA -0.333 56.059 56.400 -0.012 0.000 0.797 345 E CB 1.173 30.867 29.700 -0.010 0.000 1.086 345 E HN 0.152 nan 8.360 nan 0.000 0.397 346 K N 0.812 121.205 120.400 -0.011 0.000 2.283 346 K HA -0.111 4.209 4.320 -0.001 0.000 0.202 346 K C 1.983 178.577 176.600 -0.009 0.000 1.048 346 K CA 1.128 57.408 56.287 -0.011 0.000 0.948 346 K CB 0.103 32.599 32.500 -0.006 0.000 0.742 346 K HN 0.338 nan 8.250 nan 0.000 0.458 347 S N 0.468 116.165 115.700 -0.005 0.000 2.515 347 S HA -0.014 4.456 4.470 -0.001 0.000 0.231 347 S C 1.617 176.214 174.600 -0.005 0.000 0.987 347 S CA 0.655 58.856 58.200 0.002 0.000 0.936 347 S CB -0.146 63.059 63.200 0.008 0.000 0.766 347 S HN 0.219 nan 8.310 nan 0.000 0.528 348 L N -0.070 121.138 121.223 -0.024 0.000 2.672 348 L HA 0.429 4.768 4.340 -0.001 0.000 0.236 348 L C 2.761 179.580 176.870 -0.085 0.000 1.092 348 L CA 0.468 55.278 54.840 -0.051 0.000 0.887 348 L CB -0.487 41.544 42.059 -0.047 0.000 1.168 348 L HN 0.341 nan 8.230 nan 0.000 0.502 349 A N 1.195 123.976 122.820 -0.065 0.000 1.859 349 A HA -0.260 4.060 4.320 -0.001 0.000 0.217 349 A C 2.378 179.894 177.584 -0.113 0.000 1.198 349 A CA 1.934 53.928 52.037 -0.073 0.000 0.629 349 A CB -0.492 18.481 19.000 -0.044 0.000 0.830 349 A HN 0.312 nan 8.150 nan 0.000 0.446 350 R N -0.865 119.568 120.500 -0.112 0.000 2.073 350 R HA -0.098 4.242 4.340 -0.001 0.000 0.234 350 R C 2.560 178.606 176.300 -0.423 0.000 1.134 350 R CA 1.272 57.279 56.100 -0.156 0.000 0.952 350 R CB -0.529 29.747 30.300 -0.040 0.000 0.850 350 R HN 0.549 nan 8.270 nan 0.000 0.433 351 A N 0.662 123.150 122.820 -0.554 0.000 1.865 351 A HA -0.208 4.112 4.320 -0.001 0.000 0.217 351 A C 2.449 179.704 177.584 -0.549 0.000 1.191 351 A CA 1.640 53.109 52.037 -0.947 0.000 0.623 351 A CB -0.952 17.775 19.000 -0.456 0.000 0.826 351 A HN 0.475 nan 8.150 nan 0.000 0.444 352 c N -1.109 117.310 118.600 -0.302 0.000 2.425 352 c HA 0.086 4.656 4.570 -0.001 0.000 0.277 352 c C 3.330 177.326 174.090 -0.157 0.000 1.280 352 c CA 0.678 56.892 56.329 -0.193 0.000 1.744 352 c CB -1.388 41.043 42.510 -0.132 0.000 1.989 352 c HN 0.701 nan 8.230 nan 0.000 0.491 353 A N 0.694 123.419 122.820 -0.158 0.000 1.877 353 A HA 0.025 4.345 4.320 -0.001 0.000 0.216 353 A C 2.391 179.919 177.584 -0.094 0.000 1.186 353 A CA 2.204 54.179 52.037 -0.103 0.000 0.620 353 A CB -1.043 17.907 19.000 -0.084 0.000 0.822 353 A HN 0.568 nan 8.150 nan 0.000 0.443 354 A N -0.382 122.335 122.820 -0.173 0.000 1.908 354 A HA -0.071 4.249 4.320 -0.001 0.000 0.218 354 A C 2.190 179.758 177.584 -0.028 0.000 1.181 354 A CA 1.603 53.576 52.037 -0.107 0.000 0.627 354 A CB -0.655 18.227 19.000 -0.197 0.000 0.818 354 A HN 0.475 nan 8.150 nan 0.000 0.445 355 L N -0.880 120.291 121.223 -0.086 0.000 2.083 355 L HA -0.172 4.168 4.340 -0.001 0.000 0.209 355 L C 3.043 179.982 176.870 0.114 0.000 1.083 355 L CA 1.014 55.882 54.840 0.048 0.000 0.752 355 L CB -0.441 41.602 42.059 -0.027 0.000 0.899 355 L HN 0.434 nan 8.230 nan 0.000 0.433 356 A N -0.640 122.197 122.820 0.027 0.000 1.969 356 A HA -0.203 4.117 4.320 -0.001 0.000 0.218 356 A C 2.135 179.746 177.584 0.046 0.000 1.169 356 A CA 1.280 53.330 52.037 0.021 0.000 0.635 356 A CB -0.302 18.689 19.000 -0.015 0.000 0.810 356 A HN 0.484 nan 8.150 nan 0.000 0.445 357 Q N -2.314 117.529 119.800 0.072 0.000 2.425 357 Q HA -0.004 4.336 4.340 -0.001 0.000 0.204 357 Q C 0.079 176.173 176.000 0.156 0.000 0.933 357 Q CA -0.321 55.532 55.803 0.083 0.000 0.939 357 Q CB 0.128 28.905 28.738 0.067 0.000 1.044 357 Q HN 0.742 nan 8.270 nan 0.000 0.513 358 W N 3.065 124.343 121.300 -0.036 0.000 2.238 358 W HA 0.032 4.692 4.660 -0.000 0.000 0.321 358 W C 0.280 176.763 176.519 -0.061 0.000 1.293 358 W CA -0.835 56.487 57.345 -0.038 0.000 1.204 358 W CB 0.706 30.139 29.460 -0.045 0.000 1.167 358 W HN 0.131 nan 8.180 nan 0.000 0.553 359 D N 3.958 124.225 120.400 -0.221 0.000 2.336 359 D HA -0.087 4.553 4.640 -0.001 0.000 0.229 359 D C 0.693 176.525 176.300 -0.781 0.000 1.061 359 D CA 0.122 53.895 54.000 -0.379 0.000 0.875 359 D CB -0.277 40.424 40.800 -0.164 0.000 0.904 359 D HN 0.670 nan 8.370 nan 0.000 0.525 360 R N -1.752 117.642 120.500 -1.844 0.000 3.875 360 R HA -0.104 4.236 4.340 -0.001 0.000 0.321 360 R C 0.605 176.187 176.300 -1.197 0.000 1.196 360 R CA 0.766 55.593 56.100 -2.121 0.000 0.868 360 R CB -1.927 27.751 30.300 -1.038 0.000 1.333 360 R HN 0.438 nan 8.270 nan 0.000 0.522 361 G N -1.391 106.942 108.800 -0.779 0.000 2.568 361 G HA2 0.700 4.659 3.960 -0.001 0.000 0.313 361 G HA3 0.700 4.659 3.960 -0.001 0.000 0.313 361 G C -0.222 174.463 174.900 -0.359 0.000 1.227 361 G CA -0.018 44.862 45.100 -0.366 0.000 0.979 361 G HN 0.182 nan 8.290 nan 0.000 0.486 362 A N 0.677 123.240 122.820 -0.428 0.000 2.793 362 A HA 0.378 4.697 4.320 -0.001 0.000 0.301 362 A C 0.598 178.224 177.584 0.070 0.000 1.172 362 A CA -0.626 51.110 52.037 -0.502 0.000 0.973 362 A CB -0.487 18.171 19.000 -0.571 0.000 1.164 362 A HN 0.504 nan 8.150 nan 0.000 0.542 363 N N -0.004 118.753 118.700 0.095 0.000 2.399 363 N HA 0.195 4.934 4.740 -0.001 0.000 0.250 363 N C 1.213 176.901 175.510 0.295 0.000 1.272 363 N CA -0.322 52.825 53.050 0.162 0.000 0.928 363 N CB 0.673 39.208 38.487 0.080 0.000 1.158 363 N HN 0.266 nan 8.380 nan 0.000 0.463 364 L N 0.195 121.541 121.223 0.204 0.000 2.079 364 L HA -0.222 4.118 4.340 -0.001 0.000 0.210 364 L C 1.419 178.402 176.870 0.188 0.000 1.081 364 L CA 1.447 56.395 54.840 0.181 0.000 0.752 364 L CB -0.482 41.635 42.059 0.096 0.000 0.896 364 L HN 0.607 nan 8.230 nan 0.000 0.433 365 D N -1.925 118.568 120.400 0.155 0.000 2.339 365 D HA -0.022 4.617 4.640 -0.001 0.000 0.217 365 D C 0.682 177.089 176.300 0.179 0.000 1.050 365 D CA -0.077 54.007 54.000 0.141 0.000 0.856 365 D CB -0.106 40.748 40.800 0.090 0.000 0.922 365 D HN -0.043 nan 8.370 nan 0.000 0.518 366 S N 0.480 116.322 115.700 0.238 0.000 2.552 366 S HA 0.443 4.913 4.470 -0.001 0.000 0.289 366 S C 0.916 175.712 174.600 0.326 0.000 1.304 366 S CA -0.069 58.309 58.200 0.296 0.000 1.063 366 S CB 0.873 64.263 63.200 0.318 0.000 0.848 366 S HN 0.462 nan 8.310 nan 0.000 0.499 367 G N 1.455 110.450 108.800 0.324 0.000 2.651 367 G HA2 0.247 4.207 3.960 -0.001 0.000 0.260 367 G HA3 0.247 4.207 3.960 -0.001 0.000 0.260 367 G C 1.109 176.098 174.900 0.149 0.000 1.216 367 G CA -0.140 45.096 45.100 0.228 0.000 0.913 367 G HN 0.815 nan 8.290 nan 0.000 0.535 368 S N -0.725 115.050 115.700 0.125 0.000 2.465 368 S HA -0.091 4.379 4.470 -0.001 0.000 0.241 368 S C 2.377 176.995 174.600 0.030 0.000 1.000 368 S CA 1.344 59.602 58.200 0.097 0.000 0.964 368 S CB -0.583 62.711 63.200 0.157 0.000 0.763 368 S HN 1.002 nan 8.310 nan 0.000 0.512 369 G N 1.116 109.860 108.800 -0.094 0.000 2.503 369 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.221 369 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.221 369 G C 1.060 175.360 174.900 -0.999 0.000 1.131 369 G CA 0.989 45.867 45.100 -0.369 0.000 0.756 369 G HN 0.546 nan 8.290 nan 0.000 0.572 370 F N 1.484 120.510 119.950 -1.541 0.000 2.134 370 F HA -0.073 4.453 4.527 -0.000 0.000 0.299 370 F C 2.663 178.037 175.800 -0.710 0.000 1.097 370 F CA 1.021 58.205 58.000 -1.360 0.000 1.264 370 F CB -0.601 37.908 39.000 -0.819 0.000 1.001 370 F HN 0.037 nan 8.300 nan 0.000 0.479 371 V N -0.634 118.965 119.914 -0.525 0.000 2.358 371 V HA -0.322 3.798 4.120 -0.001 0.000 0.246 371 V C 2.207 178.053 176.094 -0.414 0.000 1.047 371 V CA 2.009 64.020 62.300 -0.481 0.000 1.035 371 V CB -1.123 30.532 31.823 -0.280 0.000 0.658 371 V HN 0.311 nan 8.190 nan 0.000 0.452 372 Y N -0.938 119.189 120.300 -0.289 0.000 2.181 372 Y HA -0.230 4.319 4.550 -0.000 0.000 0.288 372 Y C 2.261 178.055 175.900 -0.177 0.000 1.146 372 Y CA 2.134 60.117 58.100 -0.194 0.000 1.164 372 Y CB -0.614 37.753 38.460 -0.156 0.000 0.982 372 Y HN 0.264 nan 8.280 nan 0.000 0.515 373 F N 0.947 120.733 119.950 -0.273 0.000 2.134 373 F HA -0.257 4.270 4.527 -0.001 0.000 0.299 373 F C 2.208 177.839 175.800 -0.281 0.000 1.097 373 F CA 1.683 59.536 58.000 -0.244 0.000 1.264 373 F CB -0.556 38.209 39.000 -0.391 0.000 1.001 373 F HN 0.049 nan 8.300 nan 0.000 0.479 374 Q N -0.103 119.333 119.800 -0.607 0.000 2.030 374 Q HA -0.218 4.122 4.340 -0.001 0.000 0.204 374 Q C 2.262 178.019 176.000 -0.404 0.000 0.986 374 Q CA 1.718 56.995 55.803 -0.876 0.000 0.843 374 Q CB -0.300 27.885 28.738 -0.922 0.000 0.904 374 Q HN 0.299 nan 8.270 nan 0.000 0.420 375 R N -0.054 120.287 120.500 -0.264 0.000 2.115 375 R HA -0.095 4.245 4.340 -0.001 0.000 0.230 375 R C 2.029 178.277 176.300 -0.087 0.000 1.111 375 R CA 0.878 56.897 56.100 -0.136 0.000 0.976 375 R CB -0.756 29.472 30.300 -0.120 0.000 0.870 375 R HN 0.305 nan 8.270 nan 0.000 0.445 376 F N 1.342 121.164 119.950 -0.212 0.000 2.113 376 F HA -0.138 4.389 4.527 -0.001 0.000 0.297 376 F C 2.140 177.829 175.800 -0.184 0.000 1.103 376 F CA 1.312 59.204 58.000 -0.180 0.000 1.248 376 F CB -0.106 38.772 39.000 -0.204 0.000 0.999 376 F HN -0.179 nan 8.300 nan 0.000 0.475 377 M N 0.290 119.665 119.600 -0.376 0.000 2.159 377 M HA -0.215 4.265 4.480 -0.001 0.000 0.263 377 M C 2.120 178.344 176.300 -0.126 0.000 1.063 377 M CA 1.539 56.658 55.300 -0.301 0.000 1.110 377 M CB -1.408 31.048 32.600 -0.241 0.000 1.374 377 M HN 0.330 nan 8.290 nan 0.000 0.411 378 Q N -0.590 119.161 119.800 -0.082 0.000 2.170 378 Q HA -0.152 4.187 4.340 -0.001 0.000 0.203 378 Q C 2.133 178.053 176.000 -0.133 0.000 0.976 378 Q CA 1.370 57.140 55.803 -0.055 0.000 0.858 378 Q CB -0.061 28.663 28.738 -0.023 0.000 0.907 378 Q HN 0.501 nan 8.270 nan 0.000 0.433 379 R N -0.946 119.425 120.500 -0.215 0.000 2.112 379 R HA -0.014 4.325 4.340 -0.001 0.000 0.216 379 R C 1.921 178.042 176.300 -0.298 0.000 1.080 379 R CA 0.630 56.592 56.100 -0.231 0.000 0.996 379 R CB -0.189 29.985 30.300 -0.210 0.000 0.902 379 R HN 0.151 nan 8.270 nan 0.000 0.449 380 F N 1.979 121.528 119.950 -0.668 0.000 2.126 380 F HA -0.185 4.341 4.527 -0.001 0.000 0.299 380 F C 2.191 177.751 175.800 -0.399 0.000 1.096 380 F CA 1.367 58.967 58.000 -0.666 0.000 1.255 380 F CB -0.413 38.037 39.000 -0.917 0.000 0.997 380 F HN 0.007 nan 8.300 nan 0.000 0.479 381 A N -0.268 122.399 122.820 -0.255 0.000 2.032 381 A HA -0.238 4.082 4.320 -0.001 0.000 0.221 381 A C 2.014 179.455 177.584 -0.239 0.000 1.165 381 A CA 2.042 53.952 52.037 -0.212 0.000 0.645 381 A CB -0.796 18.153 19.000 -0.085 0.000 0.807 381 A HN 0.614 nan 8.150 nan 0.000 0.453 382 E N -0.809 119.248 120.200 -0.239 0.000 2.474 382 E HA 0.193 4.543 4.350 -0.001 0.000 0.194 382 E C -0.253 176.220 176.600 -0.211 0.000 1.041 382 E CA -0.355 55.933 56.400 -0.186 0.000 0.874 382 E CB 0.040 29.654 29.700 -0.144 0.000 0.914 382 E HN 0.570 nan 8.360 nan 0.000 0.498 383 L N 1.477 122.507 121.223 -0.321 0.000 2.395 383 L HA 0.194 4.534 4.340 -0.001 0.000 0.269 383 L C 0.389 177.088 176.870 -0.284 0.000 1.133 383 L CA -0.453 54.205 54.840 -0.303 0.000 0.812 383 L CB 0.595 42.430 42.059 -0.374 0.000 1.125 383 L HN -0.038 nan 8.230 nan 0.000 0.452 384 D N 1.796 122.089 120.400 -0.178 0.000 2.232 384 D HA 0.210 4.849 4.640 -0.001 0.000 0.242 384 D C 0.774 177.014 176.300 -0.100 0.000 1.093 384 D CA 0.259 54.189 54.000 -0.117 0.000 0.845 384 D CB 1.561 42.322 40.800 -0.065 0.000 1.124 384 D HN 0.758 nan 8.370 nan 0.000 0.467 385 G N 3.238 111.999 108.800 -0.065 0.000 2.305 385 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.287 385 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.287 385 G C 0.835 175.724 174.900 -0.017 0.000 1.036 385 G CA 0.537 45.639 45.100 0.003 0.000 0.887 385 G HN 0.674 nan 8.290 nan 0.000 0.505 386 A N -1.196 121.526 122.820 -0.163 0.000 2.195 386 A HA 0.435 4.755 4.320 -0.001 0.000 0.210 386 A C 0.963 178.553 177.584 0.011 0.000 1.165 386 A CA 0.077 52.019 52.037 -0.157 0.000 0.806 386 A CB -0.014 18.741 19.000 -0.409 0.000 0.847 386 A HN 0.597 nan 8.150 nan 0.000 0.482 387 W N 0.933 122.297 121.300 0.107 0.000 2.253 387 W HA 0.225 4.885 4.660 -0.001 0.000 0.322 387 W C 1.449 178.057 176.519 0.147 0.000 1.342 387 W CA -0.377 57.083 57.345 0.192 0.000 1.218 387 W CB 0.792 30.347 29.460 0.159 0.000 1.205 387 W HN 0.169 nan 8.180 nan 0.000 0.551 388 K N 1.747 122.410 120.400 0.439 0.000 2.002 388 K HA -0.163 4.157 4.320 -0.001 0.000 0.209 388 K C -0.208 176.525 176.600 0.222 0.000 1.048 388 K CA 1.302 57.748 56.287 0.266 0.000 0.930 388 K CB 0.121 32.752 32.500 0.218 0.000 0.714 388 K HN 0.491 nan 8.250 nan 0.000 0.438 389 E N 1.616 121.952 120.200 0.227 0.000 2.114 389 E HA 0.245 4.595 4.350 -0.001 0.000 0.266 389 E C -2.483 174.184 176.600 0.111 0.000 0.896 389 E CA -2.453 54.024 56.400 0.129 0.000 0.750 389 E CB 1.799 31.538 29.700 0.064 0.000 1.121 389 E HN 0.154 nan 8.360 nan 0.000 0.413 390 P HA -0.027 nan 4.420 nan 0.000 0.273 390 P C -0.462 176.855 177.300 0.027 0.000 1.250 390 P CA -0.535 62.632 63.100 0.112 0.000 0.793 390 P CB 0.422 32.217 31.700 0.159 0.000 1.011 391 F N 1.334 121.233 119.950 -0.084 0.000 2.608 391 F HA 0.083 4.610 4.527 -0.000 0.000 0.380 391 F C 0.303 176.110 175.800 0.011 0.000 1.083 391 F CA 0.501 58.469 58.000 -0.054 0.000 1.266 391 F CB -0.128 38.862 39.000 -0.017 0.000 1.076 391 F HN 0.120 nan 8.300 nan 0.000 0.574 392 D N 4.990 124.842 120.400 -0.913 0.000 2.481 392 D HA 0.397 5.037 4.640 -0.001 0.000 0.246 392 D C 0.533 176.230 176.300 -1.004 0.000 1.109 392 D CA -0.024 53.565 54.000 -0.686 0.000 0.845 392 D CB 1.794 42.403 40.800 -0.319 0.000 1.160 392 D HN 0.684 nan 8.370 nan 0.000 0.534 393 A N 3.971 126.399 122.820 -0.652 0.000 2.024 393 A HA -0.190 4.129 4.320 -0.001 0.000 0.220 393 A C 1.728 179.297 177.584 -0.026 0.000 1.164 393 A CA 1.263 53.188 52.037 -0.186 0.000 0.643 393 A CB -0.222 18.826 19.000 0.081 0.000 0.806 393 A HN 0.622 nan 8.150 nan 0.000 0.451 394 Q N -0.604 119.141 119.800 -0.091 0.000 2.311 394 Q HA -0.009 4.331 4.340 -0.001 0.000 0.203 394 Q C 0.377 176.340 176.000 -0.061 0.000 0.954 394 Q CA 0.745 56.527 55.803 -0.035 0.000 0.885 394 Q CB 0.050 28.766 28.738 -0.037 0.000 0.963 394 Q HN 0.661 nan 8.270 nan 0.000 0.471 395 R N 1.040 121.458 120.500 -0.136 0.000 2.886 395 R HA 0.183 4.523 4.340 -0.001 0.000 0.306 395 R C -1.897 174.325 176.300 -0.130 0.000 1.300 395 R CA -1.095 54.938 56.100 -0.113 0.000 1.441 395 R CB 0.752 30.992 30.300 -0.100 0.000 1.328 395 R HN 0.002 nan 8.270 nan 0.000 0.629 396 P HA -0.098 nan 4.420 nan 0.000 0.230 396 P C 0.670 178.043 177.300 0.121 0.000 1.158 396 P CA 0.723 63.878 63.100 0.091 0.000 0.769 396 P CB 0.441 32.177 31.700 0.059 0.000 0.807 397 L N -0.309 120.929 121.223 0.026 0.000 2.463 397 L HA 0.161 4.501 4.340 -0.001 0.000 0.219 397 L C 1.556 178.473 176.870 0.078 0.000 1.088 397 L CA 1.536 56.401 54.840 0.042 0.000 0.849 397 L CB -0.727 41.328 42.059 -0.006 0.000 1.012 397 L HN -0.122 nan 8.230 nan 0.000 0.468 398 D N -1.186 119.241 120.400 0.045 0.000 2.469 398 D HA 0.139 4.779 4.640 -0.001 0.000 0.213 398 D C 0.409 176.715 176.300 0.011 0.000 1.135 398 D CA 0.389 54.414 54.000 0.041 0.000 0.834 398 D CB 1.173 41.983 40.800 0.016 0.000 1.009 398 D HN 0.287 nan 8.370 nan 0.000 0.507 399 T N -1.073 113.484 114.554 0.005 0.000 2.906 399 T HA 0.541 4.891 4.350 -0.001 0.000 0.295 399 T C -2.984 171.725 174.700 0.016 0.000 1.061 399 T CA -1.867 60.203 62.100 -0.049 0.000 1.000 399 T CB 2.981 71.786 68.868 -0.106 0.000 1.103 399 T HN -0.287 nan 8.240 nan 0.000 0.486 400 P HA 0.461 nan 4.420 nan 0.000 0.276 400 P C -1.118 175.852 177.300 -0.550 0.000 1.244 400 P CA -0.367 62.361 63.100 -0.620 0.000 0.801 400 P CB 0.803 31.523 31.700 -1.633 0.000 1.006 401 Q N 0.169 119.822 119.800 -0.245 0.000 2.295 401 Q HA 0.546 4.885 4.340 -0.001 0.000 0.268 401 Q C -0.682 175.507 176.000 0.314 0.000 1.010 401 Q CA 0.201 56.033 55.803 0.049 0.000 0.856 401 Q CB 1.354 30.110 28.738 0.030 0.000 1.349 401 Q HN 0.930 nan 8.270 nan 0.000 0.412 402 G N 2.307 111.356 108.800 0.415 0.000 2.787 402 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.685 402 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.685 402 G C -0.866 174.302 174.900 0.447 0.000 1.437 402 G CA -0.353 44.954 45.100 0.346 0.000 0.872 402 G HN 0.716 nan 8.290 nan 0.000 0.566 403 I N 0.899 121.632 120.570 0.272 0.000 2.359 403 I HA 0.529 4.699 4.170 -0.001 0.000 0.294 403 I C 1.186 177.425 176.117 0.204 0.000 0.987 403 I CA -0.398 61.055 61.300 0.256 0.000 1.225 403 I CB 1.917 40.013 38.000 0.160 0.000 1.366 403 I HN 0.916 nan 8.210 nan 0.000 0.466 404 A N 7.130 130.072 122.820 0.203 0.000 3.029 404 A HA 0.235 4.554 4.320 -0.001 0.000 0.251 404 A C 1.359 179.009 177.584 0.109 0.000 1.749 404 A CA -0.066 52.059 52.037 0.148 0.000 1.386 404 A CB -0.819 18.264 19.000 0.138 0.000 1.043 404 A HN 0.845 nan 8.150 nan 0.000 0.638 405 L N -0.611 120.672 121.223 0.100 0.000 2.265 405 L HA -0.195 4.144 4.340 -0.001 0.000 0.215 405 L C 1.800 178.706 176.870 0.059 0.000 1.117 405 L CA 0.913 55.797 54.840 0.074 0.000 0.782 405 L CB -0.526 41.569 42.059 0.060 0.000 0.914 405 L HN 0.552 nan 8.230 nan 0.000 0.441 406 D N 0.724 121.160 120.400 0.061 0.000 2.154 406 D HA -0.199 4.441 4.640 -0.001 0.000 0.190 406 D C 0.967 177.294 176.300 0.045 0.000 1.003 406 D CA 1.396 55.426 54.000 0.051 0.000 0.849 406 D CB -0.099 40.734 40.800 0.055 0.000 0.942 406 D HN 0.349 nan 8.370 nan 0.000 0.446 407 R N 0.915 121.445 120.500 0.051 0.000 2.316 407 R HA 0.107 4.447 4.340 -0.001 0.000 0.314 407 R C -1.609 174.714 176.300 0.039 0.000 1.069 407 R CA -1.077 55.049 56.100 0.043 0.000 0.959 407 R CB 0.949 31.276 30.300 0.046 0.000 0.987 407 R HN 0.000 nan 8.270 nan 0.000 0.446 408 P HA -0.246 nan 4.420 nan 0.000 0.216 408 P C 1.001 178.316 177.300 0.026 0.000 1.150 408 P CA 1.120 64.237 63.100 0.027 0.000 0.837 408 P CB 0.249 31.962 31.700 0.021 0.000 0.786 409 Q N -0.363 119.451 119.800 0.024 0.000 2.046 409 Q HA -0.124 4.216 4.340 -0.001 0.000 0.200 409 Q C 1.907 177.921 176.000 0.023 0.000 0.975 409 Q CA 1.531 57.346 55.803 0.019 0.000 0.836 409 Q CB -0.435 28.311 28.738 0.014 0.000 0.896 409 Q HN 0.015 nan 8.270 nan 0.000 0.428 410 V N 0.946 120.879 119.914 0.032 0.000 2.307 410 V HA -0.268 3.852 4.120 -0.001 0.000 0.245 410 V C 2.389 178.522 176.094 0.065 0.000 1.045 410 V CA 1.745 64.072 62.300 0.044 0.000 1.024 410 V CB -1.175 30.682 31.823 0.057 0.000 0.651 410 V HN 0.529 nan 8.190 nan 0.000 0.449 411 A N 0.027 122.883 122.820 0.061 0.000 1.892 411 A HA -0.290 4.030 4.320 -0.001 0.000 0.218 411 A C 2.403 180.020 177.584 0.056 0.000 1.188 411 A CA 2.845 54.918 52.037 0.060 0.000 0.631 411 A CB -1.189 17.838 19.000 0.045 0.000 0.822 411 A HN 0.522 nan 8.150 nan 0.000 0.447 412 T N 0.087 114.666 114.554 0.042 0.000 2.652 412 T HA -0.218 4.131 4.350 -0.001 0.000 0.267 412 T C 2.068 176.793 174.700 0.043 0.000 1.039 412 T CA 1.845 63.966 62.100 0.035 0.000 1.153 412 T CB -0.346 68.536 68.868 0.024 0.000 0.863 412 T HN 0.644 nan 8.240 nan 0.000 0.428 413 Q N 0.094 119.918 119.800 0.040 0.000 2.119 413 Q HA -0.037 4.303 4.340 -0.001 0.000 0.201 413 Q C 2.570 178.617 176.000 0.078 0.000 0.972 413 Q CA 0.964 56.788 55.803 0.036 0.000 0.847 413 Q CB -0.274 28.468 28.738 0.005 0.000 0.903 413 Q HN 0.351 nan 8.270 nan 0.000 0.433 414 V N 0.754 120.746 119.914 0.129 0.000 2.379 414 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 414 V C 2.307 178.543 176.094 0.236 0.000 1.044 414 V CA 1.756 64.208 62.300 0.253 0.000 1.036 414 V CB -0.516 31.479 31.823 0.286 0.000 0.664 414 V HN 0.299 nan 8.190 nan 0.000 0.453 415 R N -0.025 120.551 120.500 0.127 0.000 2.073 415 R HA -0.251 4.089 4.340 -0.001 0.000 0.234 415 R C 2.418 178.771 176.300 0.088 0.000 1.134 415 R CA 2.103 58.253 56.100 0.084 0.000 0.952 415 R CB -0.273 30.055 30.300 0.046 0.000 0.850 415 R HN 0.462 nan 8.270 nan 0.000 0.433 416 Q N 0.394 120.239 119.800 0.074 0.000 2.061 416 Q HA -0.134 4.205 4.340 -0.001 0.000 0.204 416 Q C 1.867 177.912 176.000 0.075 0.000 0.984 416 Q CA 2.383 58.220 55.803 0.057 0.000 0.846 416 Q CB -0.421 28.338 28.738 0.034 0.000 0.902 416 Q HN 0.464 nan 8.270 nan 0.000 0.421 417 A N -0.052 122.830 122.820 0.103 0.000 1.908 417 A HA -0.181 4.139 4.320 -0.001 0.000 0.218 417 A C 2.021 179.740 177.584 0.225 0.000 1.181 417 A CA 1.642 53.740 52.037 0.102 0.000 0.627 417 A CB -0.882 18.134 19.000 0.027 0.000 0.818 417 A HN 0.474 nan 8.150 nan 0.000 0.445 418 L N -0.485 120.934 121.223 0.327 0.000 2.056 418 L HA 0.021 4.361 4.340 -0.001 0.000 0.207 418 L C 2.691 179.643 176.870 0.136 0.000 1.078 418 L CA 2.006 57.004 54.840 0.263 0.000 0.749 418 L CB -0.804 41.298 42.059 0.072 0.000 0.901 418 L HN 0.344 nan 8.230 nan 0.000 0.433 419 A N -0.614 122.262 122.820 0.093 0.000 1.883 419 A HA -0.233 4.086 4.320 -0.001 0.000 0.217 419 A C 1.987 179.608 177.584 0.063 0.000 1.186 419 A CA 2.021 54.095 52.037 0.062 0.000 0.624 419 A CB -0.857 18.168 19.000 0.042 0.000 0.822 419 A HN 0.522 nan 8.150 nan 0.000 0.444 420 D N 0.009 120.445 120.400 0.059 0.000 2.117 420 D HA -0.022 4.618 4.640 -0.001 0.000 0.198 420 D C 2.252 178.575 176.300 0.040 0.000 0.982 420 D CA 1.519 55.541 54.000 0.036 0.000 0.828 420 D CB -0.545 40.265 40.800 0.017 0.000 0.967 420 D HN 0.421 nan 8.370 nan 0.000 0.464 421 A N 1.177 124.040 122.820 0.071 0.000 1.883 421 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 421 A C 2.330 179.966 177.584 0.087 0.000 1.186 421 A CA 2.395 54.474 52.037 0.070 0.000 0.624 421 A CB -0.820 18.264 19.000 0.141 0.000 0.822 421 A HN 0.238 nan 8.150 nan 0.000 0.444 422 A N -0.126 122.793 122.820 0.165 0.000 1.883 422 A HA 0.120 4.440 4.320 -0.001 0.000 0.217 422 A C 2.532 180.194 177.584 0.129 0.000 1.186 422 A CA 2.280 54.471 52.037 0.256 0.000 0.624 422 A CB -1.110 18.008 19.000 0.196 0.000 0.822 422 A HN 1.127 nan 8.150 nan 0.000 0.444 423 A N -0.571 122.290 122.820 0.068 0.000 1.908 423 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 423 A C 2.067 179.649 177.584 -0.003 0.000 1.181 423 A CA 1.874 53.929 52.037 0.030 0.000 0.627 423 A CB -0.567 18.445 19.000 0.020 0.000 0.818 423 A HN 0.665 nan 8.150 nan 0.000 0.445 424 E N -0.268 119.920 120.200 -0.020 0.000 2.051 424 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 424 E C 1.987 178.530 176.600 -0.094 0.000 0.991 424 E CA 1.495 57.864 56.400 -0.052 0.000 0.799 424 E CB -0.123 29.543 29.700 -0.057 0.000 0.748 424 E HN 0.347 nan 8.360 nan 0.000 0.449 425 V N 1.107 120.930 119.914 -0.153 0.000 2.332 425 V HA -0.254 3.866 4.120 -0.001 0.000 0.248 425 V C 1.986 177.974 176.094 -0.176 0.000 1.055 425 V CA 2.193 64.326 62.300 -0.278 0.000 1.038 425 V CB -0.458 30.950 31.823 -0.693 0.000 0.651 425 V HN 0.256 nan 8.190 nan 0.000 0.450 426 E N -0.588 119.564 120.200 -0.080 0.000 2.285 426 E HA -0.146 4.204 4.350 -0.001 0.000 0.194 426 E C 2.226 178.809 176.600 -0.029 0.000 0.997 426 E CA 0.510 56.896 56.400 -0.023 0.000 0.845 426 E CB -0.066 29.658 29.700 0.039 0.000 0.782 426 E HN 0.466 nan 8.360 nan 0.000 0.491 427 K N 1.059 121.437 120.400 -0.037 0.000 2.155 427 K HA -0.048 4.272 4.320 -0.001 0.000 0.203 427 K C 1.000 177.573 176.600 -0.045 0.000 1.052 427 K CA 0.646 56.913 56.287 -0.034 0.000 0.948 427 K CB 0.077 32.558 32.500 -0.032 0.000 0.728 427 K HN 0.103 nan 8.250 nan 0.000 0.448 428 S N -1.276 114.386 115.700 -0.063 0.000 2.606 428 S HA 0.102 4.571 4.470 -0.001 0.000 0.257 428 S C 1.400 175.962 174.600 -0.064 0.000 1.327 428 S CA -0.246 57.912 58.200 -0.070 0.000 0.984 428 S CB 1.151 64.296 63.200 -0.092 0.000 0.941 428 S HN 0.250 nan 8.310 nan 0.000 0.576 429 G N 0.234 108.993 108.800 -0.068 0.000 2.404 429 G HA2 0.040 3.999 3.960 -0.001 0.000 0.215 429 G HA3 0.040 3.999 3.960 -0.001 0.000 0.215 429 G C 0.611 175.476 174.900 -0.060 0.000 1.174 429 G CA 0.186 45.248 45.100 -0.062 0.000 0.780 429 G HN 0.819 nan 8.290 nan 0.000 0.537 430 I N 3.630 124.156 120.570 -0.074 0.000 3.252 430 I HA -0.046 4.124 4.170 -0.001 0.000 0.331 430 I C -1.571 174.525 176.117 -0.035 0.000 1.237 430 I CA -0.785 60.478 61.300 -0.062 0.000 1.436 430 I CB -0.233 37.721 38.000 -0.076 0.000 1.338 430 I HN 0.139 nan 8.210 nan 0.000 0.512 431 P HA 0.109 nan 4.420 nan 0.000 0.274 431 P C 0.006 177.325 177.300 0.032 0.000 1.237 431 P CA -0.332 62.774 63.100 0.010 0.000 0.793 431 P CB 0.948 32.654 31.700 0.010 0.000 0.977 432 D N 1.221 121.655 120.400 0.057 0.000 2.264 432 D HA -0.062 4.578 4.640 -0.001 0.000 0.208 432 D C 2.115 178.463 176.300 0.080 0.000 0.966 432 D CA 1.331 55.386 54.000 0.093 0.000 0.864 432 D CB -0.623 40.244 40.800 0.110 0.000 0.933 432 D HN 0.607 nan 8.370 nan 0.000 0.499 433 G N 0.348 109.183 108.800 0.058 0.000 2.509 433 G HA2 -0.002 3.957 3.960 -0.001 0.000 0.218 433 G HA3 -0.002 3.957 3.960 -0.001 0.000 0.218 433 G C 0.730 175.668 174.900 0.063 0.000 1.124 433 G CA 0.571 45.705 45.100 0.056 0.000 0.776 433 G HN 0.401 nan 8.290 nan 0.000 0.547 434 A N 0.231 123.086 122.820 0.059 0.000 2.462 434 A HA 0.610 4.930 4.320 -0.001 0.000 0.243 434 A C 0.548 178.193 177.584 0.102 0.000 1.076 434 A CA -0.194 51.881 52.037 0.063 0.000 0.773 434 A CB 0.360 19.382 19.000 0.037 0.000 1.010 434 A HN 0.413 nan 8.150 nan 0.000 0.493 435 R N 0.742 121.312 120.500 0.117 0.000 2.674 435 R HA 0.198 4.538 4.340 -0.001 0.000 0.266 435 R C 0.984 177.429 176.300 0.241 0.000 1.016 435 R CA -0.782 55.427 56.100 0.182 0.000 1.062 435 R CB 0.864 31.259 30.300 0.160 0.000 1.142 435 R HN 1.006 nan 8.270 nan 0.000 0.517 436 W N 1.895 123.269 121.300 0.123 0.000 2.321 436 W HA -0.170 4.490 4.660 -0.000 0.000 0.306 436 W C 1.212 177.810 176.519 0.131 0.000 1.217 436 W CA 2.008 59.446 57.345 0.156 0.000 1.257 436 W CB -0.070 29.549 29.460 0.265 0.000 1.145 436 W HN 0.829 nan 8.180 nan 0.000 0.509 437 G N 0.092 108.932 108.800 0.066 0.000 2.509 437 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.218 437 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.218 437 G C 1.009 175.877 174.900 -0.055 0.000 1.124 437 G CA 1.003 46.069 45.100 -0.057 0.000 0.776 437 G HN 0.231 nan 8.290 nan 0.000 0.547 438 D N 0.156 120.552 120.400 -0.005 0.000 2.312 438 D HA 0.015 4.655 4.640 -0.001 0.000 0.211 438 D C 2.378 178.686 176.300 0.015 0.000 0.964 438 D CA 0.447 54.461 54.000 0.022 0.000 0.877 438 D CB 0.292 41.116 40.800 0.040 0.000 0.924 438 D HN 0.367 nan 8.370 nan 0.000 0.515 439 L N -0.465 120.685 121.223 -0.121 0.000 2.349 439 L HA 0.123 4.463 4.340 -0.001 0.000 0.200 439 L C 1.230 177.936 176.870 -0.273 0.000 1.064 439 L CA 0.052 54.782 54.840 -0.184 0.000 0.821 439 L CB 0.035 41.946 42.059 -0.247 0.000 1.027 439 L HN -0.180 nan 8.230 nan 0.000 0.476 440 Q N 1.903 121.346 119.800 -0.594 0.000 2.296 440 Q HA 0.454 4.794 4.340 -0.001 0.000 0.257 440 Q C -1.080 174.761 176.000 -0.266 0.000 0.942 440 Q CA -0.290 55.194 55.803 -0.531 0.000 0.939 440 Q CB 1.310 29.518 28.738 -0.883 0.000 1.198 440 Q HN 0.159 nan 8.270 nan 0.000 0.429 441 V N -0.050 119.767 119.914 -0.162 0.000 3.159 441 V HA 0.759 4.879 4.120 -0.001 0.000 0.308 441 V C -1.038 175.017 176.094 -0.065 0.000 1.190 441 V CA -0.926 61.313 62.300 -0.103 0.000 1.037 441 V CB 2.072 33.798 31.823 -0.163 0.000 1.060 441 V HN 0.600 nan 8.190 nan 0.000 0.437 442 S N 0.757 116.464 115.700 0.013 0.000 2.478 442 S HA 0.643 5.113 4.470 -0.001 0.000 0.312 442 S C -0.123 174.500 174.600 0.040 0.000 1.094 442 S CA -0.272 57.972 58.200 0.073 0.000 1.081 442 S CB 1.153 64.529 63.200 0.293 0.000 1.007 442 S HN 1.055 nan 8.310 nan 0.000 0.475 443 T N 5.606 120.174 114.554 0.023 0.000 2.884 443 T HA 0.416 4.766 4.350 -0.001 0.000 0.298 443 T C -0.279 174.443 174.700 0.037 0.000 0.998 443 T CA -0.390 61.718 62.100 0.015 0.000 1.124 443 T CB 0.240 69.119 68.868 0.019 0.000 0.931 443 T HN 0.390 nan 8.240 nan 0.000 0.531 444 R N 2.316 122.844 120.500 0.046 0.000 2.507 444 R HA 0.502 4.842 4.340 -0.001 0.000 0.298 444 R C 0.858 177.313 176.300 0.260 0.000 1.087 444 R CA -0.092 56.059 56.100 0.085 0.000 0.917 444 R CB 1.009 31.237 30.300 -0.120 0.000 1.173 444 R HN 0.998 nan 8.270 nan 0.000 0.472 445 G N 2.813 111.832 108.800 0.365 0.000 2.596 445 G HA2 -0.396 3.564 3.960 -0.001 0.000 0.304 445 G HA3 -0.396 3.564 3.960 -0.001 0.000 0.304 445 G C 0.450 175.413 174.900 0.105 0.000 1.189 445 G CA 0.367 45.580 45.100 0.188 0.000 0.986 445 G HN 0.576 nan 8.290 nan 0.000 0.548 446 Q N 1.107 120.950 119.800 0.072 0.000 2.319 446 Q HA 0.278 4.618 4.340 -0.001 0.000 0.202 446 Q C 0.813 176.831 176.000 0.030 0.000 0.896 446 Q CA 0.387 56.215 55.803 0.043 0.000 0.942 446 Q CB 0.537 29.294 28.738 0.032 0.000 1.083 446 Q HN 0.675 nan 8.270 nan 0.000 0.510 447 E N 0.347 120.570 120.200 0.040 0.000 2.243 447 E HA 0.488 4.838 4.350 -0.001 0.000 0.260 447 E C -0.622 175.972 176.600 -0.011 0.000 0.985 447 E CA -0.656 55.753 56.400 0.014 0.000 0.858 447 E CB 1.490 31.207 29.700 0.029 0.000 1.210 447 E HN -0.053 nan 8.360 nan 0.000 0.411 448 R N 0.692 121.165 120.500 -0.045 0.000 2.686 448 R HA 0.536 4.876 4.340 -0.001 0.000 0.286 448 R C -0.886 175.391 176.300 -0.039 0.000 0.969 448 R CA -0.596 55.456 56.100 -0.080 0.000 0.898 448 R CB 1.484 31.655 30.300 -0.215 0.000 1.183 448 R HN 0.393 nan 8.270 nan 0.000 0.456 449 I N 1.998 122.563 120.570 -0.009 0.000 2.406 449 I HA 0.353 4.523 4.170 -0.001 0.000 0.290 449 I C 0.185 176.324 176.117 0.036 0.000 0.999 449 I CA -0.781 60.539 61.300 0.033 0.000 1.124 449 I CB 2.008 40.056 38.000 0.079 0.000 1.289 449 I HN 0.658 nan 8.210 nan 0.000 0.441 450 A N 7.825 130.661 122.820 0.026 0.000 2.520 450 A HA 0.468 4.788 4.320 -0.001 0.000 0.245 450 A C -0.304 177.321 177.584 0.069 0.000 1.072 450 A CA 0.188 52.232 52.037 0.012 0.000 0.761 450 A CB -0.007 18.998 19.000 0.009 0.000 1.004 450 A HN 0.528 nan 8.150 nan 0.000 0.499 451 I N 4.819 125.419 120.570 0.051 0.000 2.418 451 I HA 0.352 4.521 4.170 -0.001 0.000 0.287 451 I C -2.332 173.879 176.117 0.157 0.000 1.008 451 I CA -2.392 59.013 61.300 0.175 0.000 1.104 451 I CB 1.594 39.722 38.000 0.214 0.000 1.264 451 I HN 0.443 nan 8.210 nan 0.000 0.438 452 P HA 0.520 nan 4.420 nan 0.000 0.279 452 P C -0.031 177.465 177.300 0.327 0.000 1.252 452 P CA 0.207 63.444 63.100 0.229 0.000 0.811 452 P CB 1.733 33.470 31.700 0.061 0.000 1.035 453 G N -0.684 108.356 108.800 0.400 0.000 2.497 453 G HA2 0.424 4.383 3.960 -0.001 0.000 0.686 453 G HA3 0.424 4.383 3.960 -0.001 0.000 0.686 453 G C -0.876 174.342 174.900 0.530 0.000 1.288 453 G CA -0.350 44.971 45.100 0.369 0.000 0.899 453 G HN 0.802 nan 8.290 nan 0.000 0.608 454 G N -0.986 108.053 108.800 0.398 0.000 2.649 454 G HA2 0.628 4.587 3.960 -0.001 0.000 0.290 454 G HA3 0.628 4.587 3.960 -0.001 0.000 0.290 454 G C -1.229 173.919 174.900 0.413 0.000 1.426 454 G CA 0.138 45.567 45.100 0.548 0.000 0.794 454 G HN 0.817 nan 8.290 nan 0.000 0.483 455 D N -0.253 120.439 120.400 0.486 0.000 2.488 455 D HA 0.145 4.784 4.640 -0.001 0.000 0.238 455 D C 1.715 178.100 176.300 0.140 0.000 1.138 455 D CA 0.862 55.005 54.000 0.239 0.000 0.873 455 D CB 1.409 42.273 40.800 0.107 0.000 1.183 455 D HN 0.420 nan 8.370 nan 0.000 0.458 456 G N 2.839 111.635 108.800 -0.006 0.000 2.450 456 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.220 456 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.220 456 G C 1.232 176.102 174.900 -0.051 0.000 1.130 456 G CA 0.823 45.902 45.100 -0.034 0.000 0.760 456 G HN 0.683 nan 8.290 nan 0.000 0.557 457 H N -0.932 118.079 119.070 -0.098 0.000 2.518 457 H HA 0.049 4.605 4.556 -0.001 0.000 0.289 457 H C 1.216 176.472 175.328 -0.120 0.000 1.051 457 H CA 0.751 56.696 56.048 -0.173 0.000 1.280 457 H CB -0.033 29.511 29.762 -0.363 0.000 1.380 457 H HN 0.436 nan 8.280 nan 0.000 0.566 458 F N -0.795 119.358 119.950 0.338 0.000 2.693 458 F HA 0.289 4.816 4.527 -0.001 0.000 0.303 458 F C 1.648 177.645 175.800 0.327 0.000 1.097 458 F CA 0.322 58.550 58.000 0.379 0.000 1.330 458 F CB 0.111 39.392 39.000 0.468 0.000 1.067 458 F HN 0.165 nan 8.300 nan 0.000 0.565 459 G N 0.587 109.621 108.800 0.390 0.000 2.147 459 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.244 459 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.244 459 G C -0.072 174.953 174.900 0.209 0.000 1.005 459 G CA 0.094 45.404 45.100 0.351 0.000 0.713 459 G HN 0.164 nan 8.290 nan 0.000 0.515 460 V N 0.754 120.782 119.914 0.190 0.000 2.427 460 V HA 0.267 4.386 4.120 -0.001 0.000 0.268 460 V C 1.477 177.659 176.094 0.146 0.000 1.046 460 V CA -0.282 62.075 62.300 0.095 0.000 0.970 460 V CB 0.802 32.697 31.823 0.120 0.000 1.001 460 V HN 0.301 nan 8.190 nan 0.000 0.476 461 Y N 4.200 124.466 120.300 -0.057 0.000 2.181 461 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 461 Y C 1.858 177.873 175.900 0.192 0.000 1.146 461 Y CA 1.761 59.913 58.100 0.086 0.000 1.164 461 Y CB -0.020 38.487 38.460 0.079 0.000 0.982 461 Y HN 0.722 nan 8.280 nan 0.000 0.515 462 N N 1.434 120.281 118.700 0.246 0.000 2.819 462 N HA 0.152 4.892 4.740 -0.001 0.000 0.284 462 N C -1.041 174.534 175.510 0.109 0.000 1.196 462 N CA 0.351 53.536 53.050 0.226 0.000 1.114 462 N CB -0.429 38.222 38.487 0.273 0.000 1.437 462 N HN 0.256 nan 8.380 nan 0.000 0.518 463 A N 3.688 126.405 122.820 -0.171 0.000 2.409 463 A HA 0.433 4.753 4.320 -0.001 0.000 0.267 463 A C -0.252 177.255 177.584 -0.128 0.000 1.127 463 A CA -0.223 51.658 52.037 -0.260 0.000 0.795 463 A CB 0.107 18.733 19.000 -0.623 0.000 1.061 463 A HN 0.548 nan 8.150 nan 0.000 0.502 464 I N 2.249 122.855 120.570 0.061 0.000 2.499 464 I HA 0.315 4.484 4.170 -0.001 0.000 0.288 464 I C -0.142 176.027 176.117 0.087 0.000 1.048 464 I CA -0.170 61.177 61.300 0.077 0.000 1.062 464 I CB 1.729 39.833 38.000 0.174 0.000 1.238 464 I HN 0.836 nan 8.210 nan 0.000 0.426 465 Q N 4.919 124.718 119.800 -0.002 0.000 2.293 465 Q HA 0.638 4.977 4.340 -0.001 0.000 0.261 465 Q C -0.993 174.985 176.000 -0.037 0.000 0.960 465 Q CA -0.361 55.457 55.803 0.024 0.000 0.882 465 Q CB 1.909 30.660 28.738 0.021 0.000 1.275 465 Q HN 0.811 nan 8.270 nan 0.000 0.445 466 S N 1.576 117.290 115.700 0.022 0.000 2.599 466 S HA 0.798 5.267 4.470 -0.001 0.000 0.287 466 S C -0.532 174.070 174.600 0.004 0.000 1.105 466 S CA -0.706 57.481 58.200 -0.021 0.000 0.899 466 S CB 1.644 64.831 63.200 -0.021 0.000 1.100 466 S HN 0.587 nan 8.310 nan 0.000 0.482 467 V N -0.941 118.962 119.914 -0.019 0.000 2.823 467 V HA 0.833 4.953 4.120 -0.001 0.000 0.312 467 V C -0.336 175.750 176.094 -0.013 0.000 1.072 467 V CA -1.237 61.057 62.300 -0.010 0.000 0.937 467 V CB 1.554 33.367 31.823 -0.016 0.000 1.013 467 V HN 1.056 nan 8.190 nan 0.000 0.430 468 R N 2.732 123.225 120.500 -0.012 0.000 2.449 468 R HA 0.418 4.758 4.340 -0.001 0.000 0.296 468 R C -0.404 175.890 176.300 -0.009 0.000 1.047 468 R CA 0.708 56.799 56.100 -0.015 0.000 1.018 468 R CB -0.162 30.125 30.300 -0.023 0.000 0.962 468 R HN 0.897 nan 8.270 nan 0.000 0.428 469 K N 3.674 124.076 120.400 0.004 0.000 2.687 469 K HA 0.376 4.696 4.320 -0.001 0.000 0.249 469 K C -0.164 176.457 176.600 0.035 0.000 0.994 469 K CA -0.066 56.229 56.287 0.013 0.000 0.913 469 K CB 1.729 34.236 32.500 0.012 0.000 1.202 469 K HN 0.861 nan 8.250 nan 0.000 0.460 470 G N 2.868 111.682 108.800 0.023 0.000 2.543 470 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.286 470 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.286 470 G C 0.090 174.992 174.900 0.003 0.000 1.153 470 G CA 0.375 45.494 45.100 0.033 0.000 0.968 470 G HN 0.656 nan 8.290 nan 0.000 0.544 471 D N 1.525 121.930 120.400 0.008 0.000 2.363 471 D HA 0.299 4.939 4.640 -0.001 0.000 0.214 471 D C 0.614 176.650 176.300 -0.440 0.000 1.093 471 D CA 0.625 54.505 54.000 -0.201 0.000 0.837 471 D CB 0.288 40.929 40.800 -0.266 0.000 0.948 471 D HN 0.539 nan 8.370 nan 0.000 0.507 472 H N -1.083 117.955 119.070 -0.054 0.000 2.907 472 H HA 0.458 5.014 4.556 -0.001 0.000 0.361 472 H C -0.406 174.867 175.328 -0.090 0.000 1.194 472 H CA -0.711 55.289 56.048 -0.081 0.000 1.152 472 H CB 1.605 31.320 29.762 -0.078 0.000 1.867 472 H HN -0.238 nan 8.280 nan 0.000 0.561 473 L N 1.708 122.932 121.223 0.001 0.000 2.255 473 L HA 0.268 4.608 4.340 -0.001 0.000 0.289 473 L C -0.120 176.712 176.870 -0.063 0.000 1.046 473 L CA -0.436 54.371 54.840 -0.055 0.000 0.816 473 L CB 0.686 42.670 42.059 -0.125 0.000 1.197 473 L HN 0.526 nan 8.230 nan 0.000 0.427 474 E N 2.988 123.162 120.200 -0.044 0.000 2.167 474 E HA 0.240 4.590 4.350 -0.001 0.000 0.284 474 E C -0.731 175.803 176.600 -0.111 0.000 1.016 474 E CA -0.517 55.847 56.400 -0.061 0.000 0.817 474 E CB 1.330 31.014 29.700 -0.028 0.000 1.080 474 E HN 0.253 nan 8.360 nan 0.000 0.397 475 V N 5.973 125.774 119.914 -0.189 0.000 2.599 475 V HA -0.012 4.108 4.120 -0.001 0.000 0.300 475 V C 1.227 177.126 176.094 -0.325 0.000 1.034 475 V CA 0.662 62.737 62.300 -0.376 0.000 1.115 475 V CB 0.794 32.158 31.823 -0.765 0.000 0.934 475 V HN 0.761 nan 8.190 nan 0.000 0.485 476 V N 1.852 121.592 119.914 -0.290 0.000 3.307 476 V HA 0.727 4.847 4.120 -0.001 0.000 0.244 476 V C 0.728 176.743 176.094 -0.130 0.000 1.196 476 V CA 0.875 63.087 62.300 -0.148 0.000 1.132 476 V CB 0.158 31.938 31.823 -0.071 0.000 0.875 476 V HN 0.973 nan 8.190 nan 0.000 0.468 477 G N -2.034 106.621 108.800 -0.242 0.000 2.559 477 G HA2 0.717 4.676 3.960 -0.001 0.000 0.291 477 G HA3 0.717 4.676 3.960 -0.001 0.000 0.291 477 G C -0.364 174.534 174.900 -0.003 0.000 1.424 477 G CA 0.138 45.244 45.100 0.010 0.000 0.786 477 G HN 1.353 nan 8.290 nan 0.000 0.485 478 G N -1.417 107.581 108.800 0.330 0.000 2.236 478 G HA2 0.412 4.372 3.960 -0.001 0.000 0.231 478 G HA3 0.412 4.372 3.960 -0.001 0.000 0.231 478 G C -0.045 175.166 174.900 0.518 0.000 1.334 478 G CA 0.190 45.456 45.100 0.276 0.000 1.137 478 G HN 1.428 nan 8.290 nan 0.000 0.482 479 T N 1.330 116.119 114.554 0.391 0.000 2.819 479 T HA 0.389 4.738 4.350 -0.001 0.000 0.282 479 T C 1.283 176.141 174.700 0.264 0.000 1.013 479 T CA 1.693 64.024 62.100 0.386 0.000 1.159 479 T CB 0.239 69.330 68.868 0.373 0.000 1.007 479 T HN 1.628 nan 8.240 nan 0.000 0.514 480 S N 2.910 118.642 115.700 0.053 0.000 4.002 480 S HA 0.215 4.685 4.470 -0.001 0.000 0.167 480 S C -0.284 174.052 174.600 -0.440 0.000 0.914 480 S CA -0.669 57.434 58.200 -0.161 0.000 1.110 480 S CB 0.081 63.585 63.200 0.506 0.000 1.714 480 S HN 0.564 nan 8.310 nan 0.000 0.858 481 Y N 3.162 123.208 120.300 -0.423 0.000 2.365 481 Y HA 0.689 5.239 4.550 -0.001 0.000 0.340 481 Y C -0.726 174.881 175.900 -0.488 0.000 1.016 481 Y CA -1.747 56.025 58.100 -0.547 0.000 1.196 481 Y CB 0.160 38.183 38.460 -0.729 0.000 1.167 481 Y HN 0.376 nan 8.280 nan 0.000 0.509 482 I N 6.762 126.745 120.570 -0.978 0.000 2.378 482 I HA 0.334 4.504 4.170 -0.001 0.000 0.291 482 I C -0.699 174.674 176.117 -1.239 0.000 0.992 482 I CA -0.657 60.033 61.300 -1.016 0.000 1.154 482 I CB 1.680 39.038 38.000 -1.069 0.000 1.315 482 I HN 0.545 nan 8.210 nan 0.000 0.448 483 Q N 6.680 125.882 119.800 -0.997 0.000 2.274 483 Q HA 0.474 4.813 4.340 -0.001 0.000 0.268 483 Q C -2.104 173.626 176.000 -0.450 0.000 1.015 483 Q CA -0.808 54.544 55.803 -0.753 0.000 0.775 483 Q CB 2.435 30.720 28.738 -0.754 0.000 1.256 483 Q HN 0.583 nan 8.270 nan 0.000 0.442 484 L N 5.190 126.212 121.223 -0.335 0.000 2.316 484 L HA 0.571 4.911 4.340 -0.001 0.000 0.280 484 L C -1.789 174.894 176.870 -0.312 0.000 1.006 484 L CA -0.499 54.223 54.840 -0.196 0.000 0.836 484 L CB 1.760 43.837 42.059 0.031 0.000 1.221 484 L HN 0.470 nan 8.230 nan 0.000 0.418 485 V N 3.906 123.600 119.914 -0.366 0.000 2.495 485 V HA 0.769 4.889 4.120 -0.001 0.000 0.298 485 V C 0.268 176.043 176.094 -0.530 0.000 1.031 485 V CA -0.200 61.754 62.300 -0.576 0.000 0.871 485 V CB 1.809 33.201 31.823 -0.718 0.000 0.988 485 V HN 0.886 nan 8.190 nan 0.000 0.432 486 T N 0.319 114.509 114.554 -0.607 0.000 2.910 486 T HA 0.769 5.119 4.350 -0.001 0.000 0.287 486 T C -0.871 173.393 174.700 -0.726 0.000 1.050 486 T CA -0.531 61.281 62.100 -0.479 0.000 1.011 486 T CB 1.889 70.634 68.868 -0.205 0.000 1.195 486 T HN 0.184 nan 8.240 nan 0.000 0.540 487 F N 1.779 121.707 119.950 -0.038 0.000 2.523 487 F HA 0.390 4.917 4.527 -0.001 0.000 0.322 487 F C -2.271 173.533 175.800 0.007 0.000 1.361 487 F CA -2.047 55.947 58.000 -0.010 0.000 1.151 487 F CB 0.856 39.871 39.000 0.025 0.000 1.391 487 F HN 0.350 nan 8.300 nan 0.000 0.566 488 P HA 0.118 nan 4.420 nan 0.000 0.274 488 P C 0.662 178.022 177.300 0.100 0.000 1.256 488 P CA -0.087 63.059 63.100 0.076 0.000 0.795 488 P CB 1.172 32.887 31.700 0.026 0.000 1.038 489 E N 0.421 120.668 120.200 0.079 0.000 2.114 489 E HA -0.250 4.100 4.350 -0.001 0.000 0.199 489 E C 1.706 178.358 176.600 0.087 0.000 1.008 489 E CA 1.519 57.968 56.400 0.082 0.000 0.810 489 E CB -0.125 29.610 29.700 0.059 0.000 0.739 489 E HN 0.620 nan 8.360 nan 0.000 0.456 490 E N 0.997 121.240 120.200 0.072 0.000 2.204 490 E HA -0.046 4.303 4.350 -0.001 0.000 0.194 490 E C 0.966 177.623 176.600 0.096 0.000 0.989 490 E CA 1.256 57.699 56.400 0.072 0.000 0.824 490 E CB 0.260 29.994 29.700 0.055 0.000 0.756 490 E HN 0.175 nan 8.360 nan 0.000 0.477 491 G N 0.957 109.824 108.800 0.112 0.000 2.352 491 G HA2 0.155 4.115 3.960 -0.001 0.000 0.302 491 G HA3 0.155 4.115 3.960 -0.001 0.000 0.302 491 G C -3.136 171.838 174.900 0.122 0.000 1.370 491 G CA -0.732 44.460 45.100 0.152 0.000 0.918 491 G HN -0.058 nan 8.290 nan 0.000 0.610 492 P HA 0.230 nan 4.420 nan 0.000 0.268 492 P C -0.736 176.436 177.300 -0.213 0.000 1.204 492 P CA 0.231 63.250 63.100 -0.135 0.000 0.768 492 P CB 1.020 32.621 31.700 -0.165 0.000 0.842 493 K N 2.376 122.563 120.400 -0.355 0.000 2.316 493 K HA 0.600 4.919 4.320 -0.001 0.000 0.267 493 K C -0.989 175.330 176.600 -0.467 0.000 1.025 493 K CA -0.653 55.459 56.287 -0.291 0.000 0.896 493 K CB 0.512 32.897 32.500 -0.192 0.000 1.124 493 K HN 0.485 nan 8.250 nan 0.000 0.451 494 A N 4.636 127.160 122.820 -0.493 0.000 2.330 494 A HA 0.587 4.907 4.320 -0.001 0.000 0.327 494 A C -1.000 176.403 177.584 -0.301 0.000 1.155 494 A CA -0.852 50.818 52.037 -0.612 0.000 0.803 494 A CB 1.003 19.327 19.000 -1.128 0.000 1.208 494 A HN 0.867 nan 8.150 nan 0.000 0.477 495 R N 1.728 122.082 120.500 -0.243 0.000 2.628 495 R HA 0.674 5.013 4.340 -0.001 0.000 0.288 495 R C 0.023 176.245 176.300 -0.129 0.000 0.980 495 R CA 0.379 56.428 56.100 -0.085 0.000 0.891 495 R CB 1.879 32.194 30.300 0.024 0.000 1.188 495 R HN 1.428 nan 8.270 nan 0.000 0.450 496 G N 2.415 111.130 108.800 -0.142 0.000 2.399 496 G HA2 0.334 4.294 3.960 -0.001 0.000 0.256 496 G HA3 0.334 4.294 3.960 -0.001 0.000 0.256 496 G C -1.972 172.700 174.900 -0.381 0.000 1.236 496 G CA -0.629 44.188 45.100 -0.471 0.000 0.914 496 G HN 0.503 nan 8.290 nan 0.000 0.482 497 L N -1.038 119.890 121.223 -0.492 0.000 2.869 497 L HA 0.533 4.873 4.340 -0.001 0.000 0.265 497 L C -1.772 174.893 176.870 -0.342 0.000 1.011 497 L CA -0.769 53.883 54.840 -0.313 0.000 0.913 497 L CB 2.351 44.260 42.059 -0.250 0.000 1.490 497 L HN 0.623 nan 8.230 nan 0.000 0.410 498 L N 1.373 122.415 121.223 -0.302 0.000 2.277 498 L HA 0.592 4.932 4.340 -0.001 0.000 0.284 498 L C 0.852 177.285 176.870 -0.729 0.000 1.028 498 L CA 0.245 54.794 54.840 -0.486 0.000 0.835 498 L CB 1.354 43.196 42.059 -0.361 0.000 1.215 498 L HN 0.743 nan 8.230 nan 0.000 0.425 499 A N 4.920 127.107 122.820 -1.055 0.000 1.940 499 A HA -0.192 4.127 4.320 -0.001 0.000 0.219 499 A C 1.402 178.349 177.584 -1.063 0.000 1.176 499 A CA 2.230 53.569 52.037 -1.164 0.000 0.631 499 A CB -0.841 17.132 19.000 -1.711 0.000 0.814 499 A HN 0.832 nan 8.150 nan 0.000 0.446 500 F N -1.568 117.799 119.950 -0.971 0.000 2.765 500 F HA 0.520 5.046 4.527 -0.000 0.000 0.302 500 F C 0.482 176.061 175.800 -0.368 0.000 1.111 500 F CA -0.577 56.929 58.000 -0.824 0.000 1.359 500 F CB -1.231 37.182 39.000 -0.980 0.000 1.097 500 F HN 0.023 nan 8.300 nan 0.000 0.577 501 S N 0.348 115.927 115.700 -0.203 0.000 3.661 501 S HA -0.197 4.273 4.470 -0.001 0.000 0.772 501 S C 0.691 175.357 174.600 0.109 0.000 1.194 501 S CA -0.067 58.113 58.200 -0.033 0.000 1.148 501 S CB -0.387 62.826 63.200 0.022 0.000 0.564 501 S HN 0.501 nan 8.310 nan 0.000 0.482 502 Q N 0.173 120.032 119.800 0.098 0.000 2.119 502 Q HA -0.001 4.339 4.340 -0.001 0.000 0.201 502 Q C 1.148 177.330 176.000 0.303 0.000 0.972 502 Q CA 1.595 57.480 55.803 0.137 0.000 0.847 502 Q CB -0.027 28.723 28.738 0.020 0.000 0.903 502 Q HN 0.669 nan 8.270 nan 0.000 0.433 503 S N -0.222 115.649 115.700 0.286 0.000 2.454 503 S HA 0.222 4.692 4.470 -0.001 0.000 0.306 503 S C 0.721 175.496 174.600 0.291 0.000 1.100 503 S CA -0.320 58.047 58.200 0.278 0.000 1.087 503 S CB 1.274 64.633 63.200 0.266 0.000 1.019 503 S HN 0.235 nan 8.310 nan 0.000 0.480 504 S N 2.590 118.418 115.700 0.215 0.000 2.603 504 S HA 0.101 4.571 4.470 -0.001 0.000 0.220 504 S C 0.243 174.969 174.600 0.210 0.000 0.967 504 S CA -0.135 58.193 58.200 0.213 0.000 0.920 504 S CB -0.159 63.092 63.200 0.086 0.000 0.773 504 S HN 0.736 nan 8.310 nan 0.000 0.529 505 D N 2.356 122.831 120.400 0.125 0.000 2.274 505 D HA 0.305 4.945 4.640 -0.001 0.000 0.239 505 D C -2.032 174.032 176.300 -0.393 0.000 1.104 505 D CA -2.167 51.789 54.000 -0.073 0.000 0.840 505 D CB 1.939 42.714 40.800 -0.042 0.000 1.100 505 D HN -0.039 nan 8.370 nan 0.000 0.477 506 P HA -0.065 nan 4.420 nan 0.000 0.221 506 P C 1.017 177.956 177.300 -0.601 0.000 1.145 506 P CA 0.909 63.182 63.100 -1.378 0.000 0.795 506 P CB 0.306 31.544 31.700 -0.771 0.000 0.775 507 R N -0.934 119.377 120.500 -0.315 0.000 2.189 507 R HA 0.064 4.404 4.340 -0.001 0.000 0.218 507 R C 1.236 177.474 176.300 -0.103 0.000 1.074 507 R CA 0.303 56.308 56.100 -0.159 0.000 0.991 507 R CB -0.443 29.793 30.300 -0.106 0.000 0.883 507 R HN 0.137 nan 8.270 nan 0.000 0.457 508 S N 1.076 116.727 115.700 -0.082 0.000 2.564 508 S HA 0.102 4.571 4.470 -0.001 0.000 0.278 508 S C -1.712 172.857 174.600 -0.052 0.000 1.333 508 S CA -1.536 56.651 58.200 -0.022 0.000 1.048 508 S CB 1.014 64.259 63.200 0.075 0.000 0.900 508 S HN -0.089 nan 8.310 nan 0.000 0.505 509 P HA -0.038 nan 4.420 nan 0.000 0.228 509 P C -0.008 177.040 177.300 -0.420 0.000 1.151 509 P CA 1.081 63.963 63.100 -0.364 0.000 0.770 509 P CB -0.015 31.324 31.700 -0.601 0.000 0.786 510 H N -3.197 115.944 119.070 0.119 0.000 2.467 510 H HA 0.181 4.737 4.556 -0.001 0.000 0.275 510 H C 0.632 176.062 175.328 0.171 0.000 1.131 510 H CA -0.500 55.617 56.048 0.115 0.000 0.989 510 H CB -0.277 29.538 29.762 0.087 0.000 1.696 510 H HN 0.169 nan 8.280 nan 0.000 0.574 511 Y N 2.605 122.959 120.300 0.089 0.000 2.314 511 Y HA -0.048 4.501 4.550 -0.001 0.000 0.294 511 Y C 1.778 177.729 175.900 0.086 0.000 1.119 511 Y CA 1.156 59.306 58.100 0.083 0.000 1.179 511 Y CB 0.578 39.067 38.460 0.049 0.000 1.025 511 Y HN 0.176 nan 8.280 nan 0.000 0.541 512 R N -1.222 119.294 120.500 0.026 0.000 2.519 512 R HA 0.171 4.511 4.340 -0.001 0.000 0.375 512 R C 0.736 177.050 176.300 0.022 0.000 0.926 512 R CA 0.629 56.685 56.100 -0.073 0.000 1.166 512 R CB -0.518 29.720 30.300 -0.104 0.000 1.626 512 R HN 0.196 nan 8.270 nan 0.000 0.529 513 D N 1.868 122.312 120.400 0.072 0.000 2.117 513 D HA -0.218 4.421 4.640 -0.001 0.000 0.198 513 D C 1.554 177.893 176.300 0.064 0.000 0.982 513 D CA 1.232 55.283 54.000 0.085 0.000 0.828 513 D CB -0.221 40.660 40.800 0.135 0.000 0.967 513 D HN 0.372 nan 8.370 nan 0.000 0.464 514 Q N -0.301 119.522 119.800 0.038 0.000 2.311 514 Q HA 0.004 4.344 4.340 -0.001 0.000 0.203 514 Q C 1.898 177.920 176.000 0.037 0.000 0.954 514 Q CA 1.250 57.060 55.803 0.012 0.000 0.885 514 Q CB -0.037 28.663 28.738 -0.063 0.000 0.963 514 Q HN 0.356 nan 8.270 nan 0.000 0.471 515 T N 1.110 115.677 114.554 0.021 0.000 2.857 515 T HA -0.118 4.232 4.350 -0.001 0.000 0.266 515 T C 1.412 176.209 174.700 0.162 0.000 1.048 515 T CA 1.050 63.201 62.100 0.085 0.000 1.139 515 T CB -0.057 68.830 68.868 0.031 0.000 0.874 515 T HN 0.332 nan 8.240 nan 0.000 0.455 516 E N 0.940 121.203 120.200 0.105 0.000 2.085 516 E HA -0.062 4.288 4.350 -0.001 0.000 0.194 516 E C 2.135 178.804 176.600 0.115 0.000 0.994 516 E CA 0.894 57.354 56.400 0.100 0.000 0.801 516 E CB -0.305 29.439 29.700 0.072 0.000 0.743 516 E HN 0.419 nan 8.360 nan 0.000 0.453 517 L N -0.121 121.175 121.223 0.123 0.000 2.093 517 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 517 L C 2.368 179.351 176.870 0.187 0.000 1.085 517 L CA 0.638 55.557 54.840 0.132 0.000 0.755 517 L CB -0.315 41.815 42.059 0.119 0.000 0.904 517 L HN 0.131 nan 8.230 nan 0.000 0.435 518 F N 0.348 120.344 119.950 0.076 0.000 2.134 518 F HA -0.255 4.272 4.527 -0.001 0.000 0.299 518 F C 2.841 178.734 175.800 0.155 0.000 1.097 518 F CA 1.618 59.689 58.000 0.118 0.000 1.264 518 F CB -0.323 38.723 39.000 0.075 0.000 1.001 518 F HN -0.031 nan 8.300 nan 0.000 0.479 519 S N 0.249 116.039 115.700 0.150 0.000 2.370 519 S HA -0.208 4.262 4.470 -0.001 0.000 0.226 519 S C 2.038 176.627 174.600 -0.018 0.000 1.033 519 S CA 1.464 59.700 58.200 0.059 0.000 1.011 519 S CB -0.331 62.938 63.200 0.114 0.000 0.852 519 S HN 0.504 nan 8.310 nan 0.000 0.457 520 R N 0.283 120.790 120.500 0.011 0.000 2.317 520 R HA 0.218 4.557 4.340 -0.001 0.000 0.208 520 R C 0.044 176.331 176.300 -0.022 0.000 0.914 520 R CA 0.195 56.296 56.100 0.001 0.000 1.060 520 R CB -0.030 30.285 30.300 0.025 0.000 1.015 520 R HN 0.511 nan 8.270 nan 0.000 0.498 521 Q N 0.749 120.522 119.800 -0.045 0.000 2.451 521 Q HA -0.228 4.112 4.340 -0.001 0.000 0.305 521 Q C -0.945 175.077 176.000 0.036 0.000 1.345 521 Q CA 0.757 56.550 55.803 -0.016 0.000 0.854 521 Q CB -1.480 27.194 28.738 -0.106 0.000 1.162 521 Q HN 0.501 nan 8.270 nan 0.000 0.440 522 Q N 0.295 120.183 119.800 0.147 0.000 2.506 522 Q HA 0.204 4.543 4.340 -0.001 0.000 0.242 522 Q C -0.511 175.665 176.000 0.294 0.000 1.060 522 Q CA -0.524 55.357 55.803 0.130 0.000 0.826 522 Q CB 0.609 29.392 28.738 0.075 0.000 1.169 522 Q HN 0.165 nan 8.270 nan 0.000 0.521 523 W N 1.556 122.845 121.300 -0.019 0.000 2.093 523 W HA 0.210 4.870 4.660 -0.001 0.000 0.352 523 W C 0.574 177.073 176.519 -0.033 0.000 1.294 523 W CA -0.354 56.976 57.345 -0.025 0.000 1.290 523 W CB 0.358 29.790 29.460 -0.047 0.000 1.149 523 W HN 0.373 nan 8.180 nan 0.000 0.606 524 Q N 0.053 119.961 119.800 0.179 0.000 2.484 524 Q HA 0.334 4.674 4.340 -0.001 0.000 0.285 524 Q C -0.512 175.512 176.000 0.040 0.000 1.097 524 Q CA -0.915 54.937 55.803 0.082 0.000 0.802 524 Q CB 1.338 30.107 28.738 0.050 0.000 1.444 524 Q HN 0.252 nan 8.270 nan 0.000 0.429 525 T N 1.665 116.233 114.554 0.023 0.000 2.934 525 T HA 0.198 4.547 4.350 -0.001 0.000 0.306 525 T C 0.270 174.973 174.700 0.006 0.000 1.042 525 T CA 0.153 62.254 62.100 0.002 0.000 1.145 525 T CB -0.021 68.853 68.868 0.010 0.000 0.982 525 T HN 0.206 nan 8.240 nan 0.000 0.544 526 L N 6.386 127.608 121.223 -0.002 0.000 2.297 526 L HA 0.328 4.668 4.340 -0.001 0.000 0.277 526 L C -1.972 174.974 176.870 0.127 0.000 1.040 526 L CA -2.189 52.688 54.840 0.061 0.000 0.867 526 L CB 0.555 42.666 42.059 0.086 0.000 1.244 526 L HN 0.369 nan 8.230 nan 0.000 0.433 527 P HA 0.019 nan 4.420 nan 0.000 0.276 527 P C -0.253 177.166 177.300 0.199 0.000 1.243 527 P CA 0.035 63.215 63.100 0.133 0.000 0.768 527 P CB 1.310 33.061 31.700 0.085 0.000 0.856 528 F N 2.390 122.360 119.950 0.033 0.000 2.581 528 F HA 0.104 4.631 4.527 -0.001 0.000 0.278 528 F C 0.941 176.746 175.800 0.008 0.000 1.000 528 F CA 0.276 58.232 58.000 -0.074 0.000 1.230 528 F CB -0.056 38.993 39.000 0.082 0.000 1.008 528 F HN 0.265 nan 8.300 nan 0.000 0.695 529 S N 0.691 116.406 115.700 0.025 0.000 2.603 529 S HA 0.108 4.578 4.470 -0.001 0.000 0.268 529 S C 0.740 175.316 174.600 -0.039 0.000 1.317 529 S CA -0.256 57.907 58.200 -0.061 0.000 1.012 529 S CB 0.888 64.121 63.200 0.055 0.000 0.926 529 S HN 0.266 nan 8.310 nan 0.000 0.539 530 D N 0.972 121.342 120.400 -0.049 0.000 2.149 530 D HA -0.135 4.505 4.640 -0.001 0.000 0.198 530 D C 1.980 178.281 176.300 0.001 0.000 0.990 530 D CA 1.227 55.214 54.000 -0.022 0.000 0.839 530 D CB -0.305 40.478 40.800 -0.028 0.000 0.948 530 D HN 0.717 nan 8.370 nan 0.000 0.460 531 R N 0.748 121.254 120.500 0.009 0.000 2.083 531 R HA -0.180 4.160 4.340 -0.001 0.000 0.237 531 R C 2.177 178.492 176.300 0.025 0.000 1.137 531 R CA 1.519 57.630 56.100 0.018 0.000 0.951 531 R CB -0.044 30.270 30.300 0.024 0.000 0.851 531 R HN 0.241 nan 8.270 nan 0.000 0.434 532 Q N 0.074 119.895 119.800 0.036 0.000 2.050 532 Q HA -0.161 4.179 4.340 -0.001 0.000 0.202 532 Q C 2.290 178.314 176.000 0.040 0.000 0.980 532 Q CA 1.870 57.699 55.803 0.044 0.000 0.840 532 Q CB -0.141 28.637 28.738 0.068 0.000 0.898 532 Q HN 0.437 nan 8.270 nan 0.000 0.424 533 I N 0.774 121.368 120.570 0.040 0.000 2.163 533 I HA -0.277 3.893 4.170 -0.001 0.000 0.243 533 I C 1.906 178.038 176.117 0.025 0.000 1.085 533 I CA 1.339 62.661 61.300 0.038 0.000 1.347 533 I CB -0.190 37.834 38.000 0.040 0.000 1.044 533 I HN 0.176 nan 8.210 nan 0.000 0.408 534 D N 0.606 121.017 120.400 0.018 0.000 2.219 534 D HA -0.093 4.547 4.640 -0.001 0.000 0.205 534 D C 2.091 178.401 176.300 0.017 0.000 0.970 534 D CA 1.061 55.070 54.000 0.014 0.000 0.851 534 D CB 0.105 40.911 40.800 0.010 0.000 0.943 534 D HN 0.305 nan 8.370 nan 0.000 0.488 535 A N -0.142 122.689 122.820 0.020 0.000 2.121 535 A HA -0.080 4.240 4.320 -0.001 0.000 0.218 535 A C 1.095 178.691 177.584 0.021 0.000 1.154 535 A CA 0.421 52.470 52.037 0.020 0.000 0.679 535 A CB -0.201 18.812 19.000 0.021 0.000 0.795 535 A HN 0.139 nan 8.150 nan 0.000 0.458 536 D N 0.512 120.926 120.400 0.023 0.000 2.346 536 D HA 0.115 4.755 4.640 -0.001 0.000 0.260 536 D C -1.433 174.881 176.300 0.023 0.000 1.252 536 D CA -1.688 52.326 54.000 0.024 0.000 0.895 536 D CB 1.119 41.934 40.800 0.025 0.000 1.097 536 D HN 0.159 nan 8.370 nan 0.000 0.489 537 P HA -0.088 nan 4.420 nan 0.000 0.230 537 P C 0.635 177.952 177.300 0.028 0.000 1.158 537 P CA 0.598 63.712 63.100 0.024 0.000 0.769 537 P CB 0.520 32.234 31.700 0.023 0.000 0.807 538 Q N -0.544 119.275 119.800 0.032 0.000 2.320 538 Q HA 0.118 4.457 4.340 -0.001 0.000 0.201 538 Q C 0.639 176.661 176.000 0.037 0.000 0.910 538 Q CA -0.530 55.297 55.803 0.040 0.000 0.946 538 Q CB -0.405 28.364 28.738 0.052 0.000 1.062 538 Q HN 0.252 nan 8.270 nan 0.000 0.503 539 L N 2.095 123.335 121.223 0.028 0.000 2.601 539 L HA -0.091 4.249 4.340 -0.001 0.000 0.277 539 L C -0.301 176.584 176.870 0.025 0.000 1.219 539 L CA 1.081 55.935 54.840 0.023 0.000 0.915 539 L CB 0.221 42.292 42.059 0.019 0.000 1.160 539 L HN 0.066 nan 8.230 nan 0.000 0.494 540 Q N 4.657 124.472 119.800 0.025 0.000 2.413 540 Q HA 0.650 4.990 4.340 -0.001 0.000 0.276 540 Q C -1.083 174.928 176.000 0.019 0.000 1.099 540 Q CA -0.909 54.910 55.803 0.026 0.000 0.814 540 Q CB 2.532 31.294 28.738 0.039 0.000 1.379 540 Q HN 0.618 nan 8.270 nan 0.000 0.436 541 R N 1.564 122.073 120.500 0.016 0.000 2.621 541 R HA 0.663 5.003 4.340 -0.001 0.000 0.284 541 R C -2.151 174.155 176.300 0.010 0.000 0.998 541 R CA -0.704 55.401 56.100 0.009 0.000 0.895 541 R CB 1.274 31.576 30.300 0.003 0.000 1.195 541 R HN 0.528 nan 8.270 nan 0.000 0.450 542 L N 2.081 123.308 121.223 0.007 0.000 2.464 542 L HA 0.510 4.849 4.340 -0.001 0.000 0.266 542 L C -1.513 175.358 176.870 0.002 0.000 0.965 542 L CA -0.030 54.814 54.840 0.007 0.000 0.833 542 L CB 2.598 44.665 42.059 0.013 0.000 1.296 542 L HN 0.583 nan 8.230 nan 0.000 0.405 543 S N 5.571 121.272 115.700 0.001 0.000 2.475 543 S HA 0.833 5.302 4.470 -0.001 0.000 0.298 543 S C -0.478 174.121 174.600 -0.001 0.000 1.119 543 S CA -0.491 57.708 58.200 -0.002 0.000 1.085 543 S CB 0.960 64.158 63.200 -0.004 0.000 1.028 543 S HN 0.583 nan 8.310 nan 0.000 0.489 544 I N 0.710 121.279 120.570 -0.002 0.000 2.828 544 I HA 0.868 5.037 4.170 -0.001 0.000 0.302 544 I C -0.620 175.496 176.117 -0.003 0.000 1.101 544 I CA -1.214 60.085 61.300 -0.001 0.000 1.031 544 I CB 2.161 40.161 38.000 0.000 0.000 1.231 544 I HN 0.702 nan 8.210 nan 0.000 0.427 545 R N 2.864 123.363 120.500 -0.002 0.000 2.692 545 R HA 0.762 5.101 4.340 -0.001 0.000 0.269 545 R C -1.761 174.538 176.300 -0.003 0.000 1.030 545 R CA -0.697 55.401 56.100 -0.003 0.000 0.882 545 R CB 2.453 32.751 30.300 -0.003 0.000 1.250 545 R HN 0.939 nan 8.270 nan 0.000 0.465 546 E N 0.000 120.198 120.200 -0.004 0.000 2.725 546 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 546 E CA 0.000 56.398 56.400 -0.004 0.000 0.976 546 E CB 0.000 29.697 29.700 -0.005 0.000 0.812 546 E HN 0.000 nan 8.360 nan 0.000 0.440