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 2wyb_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 0.000 174.336 174.600 -0.440 0.000 1.055 1 S CA 0.000 57.826 58.200 -0.624 0.000 1.107 1 S CB 0.000 63.079 63.200 -0.202 0.000 0.593 2 N N 0.823 119.203 118.700 -0.534 0.000 2.335 2 N HA 0.841 5.580 4.740 -0.001 0.000 0.304 2 N C -0.997 174.420 175.510 -0.155 0.000 1.135 2 N CA -0.631 52.228 53.050 -0.319 0.000 0.817 2 N CB 2.078 40.132 38.487 -0.723 0.000 1.294 2 N HN 0.823 nan 8.380 nan 0.000 0.497 3 A N 1.244 124.061 122.820 -0.004 0.000 2.459 3 A HA 0.719 5.038 4.320 -0.001 0.000 0.296 3 A C -1.183 176.468 177.584 0.113 0.000 1.039 3 A CA -0.566 51.495 52.037 0.039 0.000 0.698 3 A CB 0.908 19.941 19.000 0.055 0.000 1.261 3 A HN 0.588 nan 8.150 nan 0.000 0.405 4 I N 1.688 122.321 120.570 0.104 0.000 2.478 4 I HA 0.601 4.771 4.170 -0.001 0.000 0.287 4 I C 0.189 176.368 176.117 0.103 0.000 1.042 4 I CA -0.567 60.802 61.300 0.116 0.000 1.067 4 I CB 2.169 40.221 38.000 0.088 0.000 1.233 4 I HN 0.768 nan 8.210 nan 0.000 0.431 5 A N 6.515 129.419 122.820 0.141 0.000 2.303 5 A HA 0.836 5.156 4.320 -0.001 0.000 0.320 5 A C -0.784 176.894 177.584 0.157 0.000 1.192 5 A CA -0.510 51.608 52.037 0.134 0.000 0.821 5 A CB 1.273 20.357 19.000 0.140 0.000 1.188 5 A HN 0.430 nan 8.150 nan 0.000 0.492 6 V N 2.125 122.115 119.914 0.127 0.000 2.555 6 V HA 0.767 4.887 4.120 -0.001 0.000 0.302 6 V C 0.877 177.037 176.094 0.111 0.000 1.038 6 V CA 0.020 62.397 62.300 0.129 0.000 0.887 6 V CB 1.689 33.560 31.823 0.081 0.000 0.991 6 V HN 1.147 nan 8.190 nan 0.000 0.434 7 G N 1.367 110.228 108.800 0.102 0.000 2.820 7 G HA2 0.470 4.429 3.960 -0.001 0.000 0.291 7 G HA3 0.470 4.429 3.960 -0.001 0.000 0.291 7 G C 0.990 175.924 174.900 0.058 0.000 1.323 7 G CA 0.259 45.402 45.100 0.072 0.000 1.055 7 G HN 0.820 nan 8.290 nan 0.000 0.520 8 S N -1.055 114.669 115.700 0.040 0.000 2.419 8 S HA -0.135 4.334 4.470 -0.001 0.000 0.235 8 S C 1.512 176.128 174.600 0.027 0.000 1.019 8 S CA 1.809 60.028 58.200 0.031 0.000 0.982 8 S CB -0.257 62.954 63.200 0.018 0.000 0.789 8 S HN 0.674 nan 8.310 nan 0.000 0.490 9 E N 0.323 120.539 120.200 0.027 0.000 2.427 9 E HA 0.093 4.443 4.350 -0.001 0.000 0.196 9 E C 1.772 178.392 176.600 0.033 0.000 1.028 9 E CA 0.306 56.720 56.400 0.023 0.000 0.864 9 E CB 0.123 29.833 29.700 0.016 0.000 0.813 9 E HN 0.326 nan 8.360 nan 0.000 0.514 10 R N -0.274 120.254 120.500 0.047 0.000 2.513 10 R HA 0.187 4.527 4.340 -0.001 0.000 0.245 10 R C 0.683 177.001 176.300 0.030 0.000 0.908 10 R CA 0.038 56.167 56.100 0.049 0.000 1.023 10 R CB 0.526 30.882 30.300 0.095 0.000 1.338 10 R HN -0.099 nan 8.270 nan 0.000 0.575 11 S N 0.502 116.223 115.700 0.034 0.000 2.576 11 S HA 0.323 4.793 4.470 -0.001 0.000 0.276 11 S C 1.338 175.946 174.600 0.013 0.000 1.339 11 S CA 0.271 58.486 58.200 0.025 0.000 1.039 11 S CB 1.367 64.592 63.200 0.042 0.000 0.902 11 S HN 0.339 nan 8.310 nan 0.000 0.516 12 A N 3.125 125.946 122.820 0.002 0.000 1.972 12 A HA -0.081 4.239 4.320 -0.001 0.000 0.219 12 A C 1.483 179.070 177.584 0.004 0.000 1.169 12 A CA 1.758 53.793 52.037 -0.004 0.000 0.635 12 A CB -0.511 18.479 19.000 -0.016 0.000 0.810 12 A HN 0.927 nan 8.150 nan 0.000 0.446 13 D N -2.636 117.772 120.400 0.013 0.000 2.349 13 D HA 0.273 4.913 4.640 -0.001 0.000 0.214 13 D C 1.166 177.484 176.300 0.029 0.000 1.063 13 D CA 0.796 54.809 54.000 0.021 0.000 0.847 13 D CB -0.604 40.213 40.800 0.029 0.000 0.933 13 D HN 0.720 nan 8.370 nan 0.000 0.513 14 G N 0.166 108.984 108.800 0.029 0.000 2.155 14 G HA2 -0.318 3.642 3.960 -0.001 0.000 0.257 14 G HA3 -0.318 3.642 3.960 -0.001 0.000 0.257 14 G C 0.240 175.164 174.900 0.041 0.000 0.983 14 G CA 0.636 45.754 45.100 0.030 0.000 0.676 14 G HN 0.510 nan 8.290 nan 0.000 0.528 15 K N -0.425 120.013 120.400 0.063 0.000 2.312 15 K HA 0.645 4.965 4.320 -0.001 0.000 0.236 15 K C 0.903 177.576 176.600 0.121 0.000 1.079 15 K CA -0.507 55.834 56.287 0.090 0.000 0.900 15 K CB 1.044 33.624 32.500 0.134 0.000 1.297 15 K HN 0.248 nan 8.250 nan 0.000 0.498 16 G N 0.537 109.438 108.800 0.168 0.000 2.539 16 G HA2 0.439 4.399 3.960 -0.001 0.000 0.258 16 G HA3 0.439 4.399 3.960 -0.001 0.000 0.258 16 G C -0.748 174.329 174.900 0.295 0.000 1.202 16 G CA -0.254 44.972 45.100 0.211 0.000 0.851 16 G HN 0.507 nan 8.290 nan 0.000 0.556 17 M N 1.068 120.784 119.600 0.194 0.000 2.365 17 M HA 0.596 5.075 4.480 -0.001 0.000 0.288 17 M C -2.349 173.995 176.300 0.072 0.000 1.152 17 M CA -0.883 54.473 55.300 0.093 0.000 0.948 17 M CB 2.182 34.804 32.600 0.036 0.000 1.729 17 M HN 0.507 nan 8.290 nan 0.000 0.487 18 L N 4.926 126.154 121.223 0.007 0.000 2.409 18 L HA 0.688 5.028 4.340 -0.001 0.000 0.272 18 L C -2.181 174.658 176.870 -0.052 0.000 0.980 18 L CA -0.502 54.340 54.840 0.004 0.000 0.826 18 L CB 2.046 44.119 42.059 0.024 0.000 1.268 18 L HN 0.809 nan 8.230 nan 0.000 0.407 19 L N 5.255 126.468 121.223 -0.016 0.000 2.272 19 L HA 0.874 5.213 4.340 -0.001 0.000 0.289 19 L C -0.466 176.362 176.870 -0.070 0.000 1.032 19 L CA 0.026 54.851 54.840 -0.025 0.000 0.810 19 L CB 1.301 43.399 42.059 0.065 0.000 1.205 19 L HN 0.767 nan 8.230 nan 0.000 0.422 20 A N 4.856 127.572 122.820 -0.173 0.000 2.291 20 A HA 0.478 4.798 4.320 -0.001 0.000 0.311 20 A C -0.315 177.095 177.584 -0.289 0.000 1.224 20 A CA -0.545 51.353 52.037 -0.232 0.000 0.821 20 A CB 0.215 19.029 19.000 -0.310 0.000 1.172 20 A HN 0.837 nan 8.150 nan 0.000 0.494 21 N N 4.151 122.706 118.700 -0.242 0.000 2.703 21 N HA 0.217 4.957 4.740 -0.001 0.000 0.283 21 N C -2.962 172.353 175.510 -0.325 0.000 1.851 21 N CA -1.384 51.520 53.050 -0.242 0.000 0.826 21 N CB 1.491 39.886 38.487 -0.152 0.000 1.239 21 N HN 0.376 nan 8.380 nan 0.000 0.495 22 P HA 0.031 nan 4.420 nan 0.000 0.268 22 P C -1.089 176.231 177.300 0.033 0.000 1.205 22 P CA 0.553 63.546 63.100 -0.180 0.000 0.771 22 P CB 0.623 32.256 31.700 -0.111 0.000 0.858 23 H N 2.062 121.257 119.070 0.208 0.000 2.638 23 H HA 0.504 5.060 4.556 -0.001 0.000 0.303 23 H C -0.486 175.198 175.328 0.594 0.000 1.034 23 H CA -0.444 55.808 56.048 0.339 0.000 1.225 23 H CB 0.490 30.400 29.762 0.246 0.000 1.394 23 H HN 0.312 nan 8.280 nan 0.000 0.477 24 F N 2.314 122.558 119.950 0.490 0.000 2.685 24 F HA 0.355 4.882 4.527 -0.001 0.000 0.315 24 F C -2.437 173.606 175.800 0.404 0.000 1.126 24 F CA -2.906 55.332 58.000 0.398 0.000 0.950 24 F CB 1.975 41.224 39.000 0.415 0.000 1.360 24 F HN 0.310 nan 8.300 nan 0.000 0.469 25 P HA -0.041 nan 4.420 nan 0.000 0.267 25 P C -0.116 177.301 177.300 0.194 0.000 1.200 25 P CA 0.428 63.596 63.100 0.114 0.000 0.772 25 P CB 0.447 32.072 31.700 -0.125 0.000 0.855 26 W N 1.225 122.424 121.300 -0.169 0.000 3.256 26 W HA 0.117 4.777 4.660 -0.001 0.000 0.269 26 W C 0.262 176.461 176.519 -0.534 0.000 1.310 26 W CA 0.548 57.625 57.345 -0.446 0.000 1.673 26 W CB -0.348 29.052 29.460 -0.100 0.000 1.115 26 W HN 0.288 nan 8.180 nan 0.000 0.686 27 N N -1.371 117.244 118.700 -0.142 0.000 2.647 27 N HA 0.543 5.283 4.740 -0.001 0.000 0.266 27 N C 0.297 175.725 175.510 -0.136 0.000 1.373 27 N CA 0.399 53.366 53.050 -0.138 0.000 0.807 27 N CB 1.770 40.231 38.487 -0.042 0.000 1.513 27 N HN -0.012 nan 8.380 nan 0.000 0.505 28 G N 0.252 108.985 108.800 -0.112 0.000 2.545 28 G HA2 -0.107 3.853 3.960 -0.001 0.000 0.216 28 G HA3 -0.107 3.853 3.960 -0.001 0.000 0.216 28 G C 0.364 175.196 174.900 -0.114 0.000 1.314 28 G CA 0.154 45.194 45.100 -0.100 0.000 0.906 28 G HN 0.766 nan 8.290 nan 0.000 0.563 29 A N -0.628 122.126 122.820 -0.110 0.000 2.239 29 A HA 0.415 4.735 4.320 -0.001 0.000 0.209 29 A C 1.840 179.350 177.584 -0.124 0.000 1.171 29 A CA 2.020 53.996 52.037 -0.101 0.000 0.768 29 A CB -0.408 18.545 19.000 -0.079 0.000 0.790 29 A HN 0.738 nan 8.150 nan 0.000 0.478 30 M N -0.719 118.772 119.600 -0.181 0.000 2.596 30 M HA 0.200 4.679 4.480 -0.001 0.000 0.364 30 M C 0.394 176.571 176.300 -0.206 0.000 1.158 30 M CA -0.167 54.996 55.300 -0.228 0.000 0.940 30 M CB 0.402 32.723 32.600 -0.466 0.000 1.388 30 M HN 0.227 nan 8.290 nan 0.000 0.522 31 R N 1.237 121.639 120.500 -0.164 0.000 2.288 31 R HA 0.257 4.596 4.340 -0.001 0.000 0.330 31 R C -0.933 175.408 176.300 0.069 0.000 1.069 31 R CA -0.219 55.798 56.100 -0.138 0.000 0.941 31 R CB 0.419 30.578 30.300 -0.235 0.000 0.998 31 R HN -0.008 nan 8.270 nan 0.000 0.452 32 F N 3.877 124.044 119.950 0.362 0.000 2.595 32 F HA 0.011 4.538 4.527 -0.001 0.000 0.359 32 F C 0.144 176.131 175.800 0.312 0.000 1.147 32 F CA 0.869 59.056 58.000 0.313 0.000 1.341 32 F CB 0.277 39.440 39.000 0.272 0.000 1.104 32 F HN 0.440 nan 8.300 nan 0.000 0.603 33 Y N 2.657 123.108 120.300 0.253 0.000 2.386 33 Y HA 0.319 4.869 4.550 -0.001 0.000 0.334 33 Y C -0.723 175.149 175.900 -0.047 0.000 1.002 33 Y CA -1.060 57.095 58.100 0.092 0.000 1.068 33 Y CB 1.057 39.554 38.460 0.063 0.000 1.203 33 Y HN 0.574 nan 8.280 nan 0.000 0.443 34 Q N 6.793 126.230 119.800 -0.605 0.000 2.327 34 Q HA 0.560 4.899 4.340 -0.001 0.000 0.254 34 Q C -0.639 175.068 176.000 -0.488 0.000 0.952 34 Q CA -0.186 55.292 55.803 -0.541 0.000 0.884 34 Q CB 1.297 29.778 28.738 -0.428 0.000 1.224 34 Q HN 0.768 nan 8.270 nan 0.000 0.422 35 M N -0.162 119.308 119.600 -0.216 0.000 2.643 35 M HA 0.405 4.884 4.480 -0.001 0.000 0.276 35 M C -1.989 174.344 176.300 0.054 0.000 1.200 35 M CA -0.922 54.351 55.300 -0.044 0.000 0.863 35 M CB 2.422 35.079 32.600 0.095 0.000 1.711 35 M HN 0.711 nan 8.290 nan 0.000 0.492 36 H N 2.215 121.273 119.070 -0.020 0.000 2.547 36 H HA 0.734 5.289 4.556 -0.001 0.000 0.342 36 H C -2.112 173.231 175.328 0.025 0.000 1.048 36 H CA -0.868 55.182 56.048 0.005 0.000 1.204 36 H CB 1.614 31.382 29.762 0.011 0.000 1.493 36 H HN 0.754 nan 8.280 nan 0.000 0.511 37 L N 5.184 126.512 121.223 0.175 0.000 2.333 37 L HA 0.387 4.727 4.340 -0.001 0.000 0.280 37 L C -0.668 176.212 176.870 0.017 0.000 1.004 37 L CA -0.593 54.281 54.840 0.056 0.000 0.820 37 L CB 2.049 44.194 42.059 0.144 0.000 1.247 37 L HN 0.670 nan 8.230 nan 0.000 0.416 38 T N 4.091 118.593 114.554 -0.086 0.000 2.937 38 T HA 0.547 4.896 4.350 -0.001 0.000 0.297 38 T C -0.278 174.410 174.700 -0.020 0.000 0.991 38 T CA -0.269 61.792 62.100 -0.064 0.000 0.990 38 T CB 1.602 70.358 68.868 -0.187 0.000 0.991 38 T HN 0.301 nan 8.240 nan 0.000 0.440 39 I N 4.574 125.159 120.570 0.026 0.000 2.371 39 I HA 0.291 4.460 4.170 -0.001 0.000 0.282 39 I C -2.367 173.761 176.117 0.019 0.000 1.031 39 I CA -2.539 58.777 61.300 0.028 0.000 1.180 39 I CB 1.376 39.413 38.000 0.062 0.000 1.336 39 I HN 0.253 nan 8.210 nan 0.000 0.467 40 P HA 0.018 nan 4.420 nan 0.000 0.260 40 P C 0.980 178.287 177.300 0.012 0.000 1.172 40 P CA 0.942 64.042 63.100 -0.000 0.000 0.760 40 P CB 0.613 32.307 31.700 -0.009 0.000 0.773 41 G N 3.696 112.507 108.800 0.018 0.000 2.279 41 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.223 41 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.223 41 G C 0.758 175.673 174.900 0.026 0.000 1.015 41 G CA 0.318 45.431 45.100 0.022 0.000 0.621 41 G HN 0.659 nan 8.290 nan 0.000 0.506 42 R N -1.180 119.337 120.500 0.028 0.000 2.551 42 R HA 0.674 5.013 4.340 -0.001 0.000 0.316 42 R C -0.049 176.263 176.300 0.019 0.000 0.934 42 R CA 0.160 56.272 56.100 0.021 0.000 1.117 42 R CB 0.446 30.755 30.300 0.014 0.000 1.626 42 R HN 0.857 nan 8.270 nan 0.000 0.513 43 L N 1.318 122.566 121.223 0.042 0.000 2.562 43 L HA 0.538 4.878 4.340 -0.001 0.000 0.266 43 L C -2.353 174.577 176.870 0.099 0.000 0.949 43 L CA -0.238 54.638 54.840 0.061 0.000 0.879 43 L CB 2.563 44.668 42.059 0.075 0.000 1.278 43 L HN 0.160 nan 8.230 nan 0.000 0.404 44 D N 3.778 124.272 120.400 0.158 0.000 2.354 44 D HA 0.525 5.165 4.640 -0.001 0.000 0.230 44 D C -2.020 174.524 176.300 0.406 0.000 1.361 44 D CA 0.074 54.224 54.000 0.249 0.000 0.992 44 D CB 1.822 42.741 40.800 0.198 0.000 1.409 44 D HN 0.387 nan 8.370 nan 0.000 0.573 45 V N 4.589 124.752 119.914 0.416 0.000 2.932 45 V HA 0.722 4.841 4.120 -0.001 0.000 0.307 45 V C -1.564 174.645 176.094 0.190 0.000 1.147 45 V CA -0.608 61.854 62.300 0.270 0.000 0.951 45 V CB 1.985 33.963 31.823 0.260 0.000 1.031 45 V HN 0.616 nan 8.190 nan 0.000 0.426 46 M N 5.562 124.984 119.600 -0.295 0.000 2.393 46 M HA 0.869 5.348 4.480 -0.001 0.000 0.299 46 M C -0.145 175.877 176.300 -0.463 0.000 1.103 46 M CA 0.473 55.524 55.300 -0.414 0.000 0.910 46 M CB 2.035 34.219 32.600 -0.694 0.000 1.659 46 M HN 1.020 nan 8.290 nan 0.000 0.445 47 G N 2.127 110.777 108.800 -0.250 0.000 2.539 47 G HA2 0.699 4.659 3.960 -0.001 0.000 0.138 47 G HA3 0.699 4.659 3.960 -0.001 0.000 0.138 47 G C -2.177 172.356 174.900 -0.611 0.000 1.148 47 G CA 0.018 44.923 45.100 -0.323 0.000 1.057 47 G HN 1.024 nan 8.290 nan 0.000 0.511 48 A N -1.068 121.295 122.820 -0.762 0.000 2.515 48 A HA 0.948 5.267 4.320 -0.001 0.000 0.296 48 A C -0.483 177.080 177.584 -0.036 0.000 1.094 48 A CA 0.073 51.762 52.037 -0.580 0.000 0.718 48 A CB 1.688 20.014 19.000 -1.124 0.000 1.307 48 A HN 1.486 nan 8.150 nan 0.000 0.408 49 S N -0.421 115.402 115.700 0.206 0.000 2.651 49 S HA 0.680 5.150 4.470 -0.001 0.000 0.279 49 S C -0.795 173.895 174.600 0.150 0.000 1.148 49 S CA -0.584 57.736 58.200 0.200 0.000 0.837 49 S CB 1.199 64.460 63.200 0.101 0.000 1.138 49 S HN 0.634 nan 8.310 nan 0.000 0.478 50 L N 1.740 122.938 121.223 -0.043 0.000 2.421 50 L HA 0.452 4.792 4.340 -0.001 0.000 0.263 50 L C -2.400 174.431 176.870 -0.065 0.000 1.122 50 L CA -2.315 52.451 54.840 -0.123 0.000 0.804 50 L CB 0.232 42.189 42.059 -0.170 0.000 1.150 50 L HN 0.325 nan 8.230 nan 0.000 0.457 51 P HA 0.050 nan 4.420 nan 0.000 0.264 51 P C 0.649 177.902 177.300 -0.077 0.000 1.193 51 P CA 0.805 63.855 63.100 -0.084 0.000 0.763 51 P CB 0.661 32.310 31.700 -0.085 0.000 0.810 52 G N 2.233 110.982 108.800 -0.084 0.000 2.195 52 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.246 52 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.246 52 G C -0.165 174.704 174.900 -0.053 0.000 0.984 52 G CA -0.387 44.673 45.100 -0.067 0.000 0.633 52 G HN 0.464 nan 8.290 nan 0.000 0.525 53 L N 1.814 123.007 121.223 -0.051 0.000 2.264 53 L HA 0.429 4.769 4.340 -0.001 0.000 0.289 53 L C -1.523 175.338 176.870 -0.016 0.000 1.044 53 L CA -1.895 52.921 54.840 -0.039 0.000 0.807 53 L CB 1.479 43.498 42.059 -0.067 0.000 1.192 53 L HN -0.047 nan 8.230 nan 0.000 0.425 54 P HA 0.111 nan 4.420 nan 0.000 0.228 54 P C -0.601 176.716 177.300 0.028 0.000 1.764 54 P CA 0.063 63.160 63.100 -0.006 0.000 0.929 54 P CB 0.097 31.770 31.700 -0.045 0.000 1.675 55 V N -3.896 116.064 119.914 0.078 0.000 3.159 55 V HA 0.534 4.653 4.120 -0.001 0.000 0.308 55 V C -0.471 175.730 176.094 0.178 0.000 1.190 55 V CA -1.231 61.175 62.300 0.177 0.000 1.037 55 V CB 2.072 34.043 31.823 0.246 0.000 1.060 55 V HN -0.257 nan 8.190 nan 0.000 0.437 56 V N 2.634 122.715 119.914 0.278 0.000 2.432 56 V HA 0.320 4.440 4.120 -0.001 0.000 0.275 56 V C 0.894 177.229 176.094 0.402 0.000 1.043 56 V CA 0.193 62.660 62.300 0.278 0.000 0.925 56 V CB 0.495 32.502 31.823 0.307 0.000 0.985 56 V HN 1.032 nan 8.190 nan 0.000 0.466 57 N N 3.670 122.487 118.700 0.194 0.000 2.305 57 N HA 0.265 5.005 4.740 -0.001 0.000 0.179 57 N C 0.013 175.842 175.510 0.530 0.000 1.019 57 N CA 0.588 53.713 53.050 0.125 0.000 0.869 57 N CB 0.344 38.729 38.487 -0.170 0.000 1.000 57 N HN 0.542 nan 8.380 nan 0.000 0.431 58 I N 0.219 120.836 120.570 0.079 0.000 2.466 58 I HA 0.531 4.700 4.170 -0.001 0.000 0.289 58 I C 0.079 175.772 176.117 -0.707 0.000 1.026 58 I CA -0.652 60.390 61.300 -0.430 0.000 1.078 58 I CB 2.011 39.870 38.000 -0.235 0.000 1.249 58 I HN 0.095 nan 8.210 nan 0.000 0.429 59 G N 5.250 113.141 108.800 -1.514 0.000 2.510 59 G HA2 0.660 4.619 3.960 -0.001 0.000 0.277 59 G HA3 0.660 4.619 3.960 -0.001 0.000 0.277 59 G C -1.730 172.822 174.900 -0.581 0.000 1.223 59 G CA -0.449 44.145 45.100 -0.843 0.000 0.887 59 G HN 0.528 nan 8.290 nan 0.000 0.485 60 F N -0.643 119.142 119.950 -0.275 0.000 2.686 60 F HA 0.885 5.411 4.527 -0.001 0.000 0.311 60 F C -0.124 175.640 175.800 -0.059 0.000 1.128 60 F CA -0.533 57.424 58.000 -0.072 0.000 0.946 60 F CB 1.505 40.369 39.000 -0.227 0.000 1.336 60 F HN 1.002 nan 8.300 nan 0.000 0.457 61 S N 0.488 116.247 115.700 0.099 0.000 2.998 61 S HA 0.514 4.984 4.470 -0.001 0.000 0.321 61 S C 0.533 175.163 174.600 0.051 0.000 1.171 61 S CA -0.533 57.642 58.200 -0.041 0.000 0.882 61 S CB 1.557 64.853 63.200 0.159 0.000 1.301 61 S HN 0.944 nan 8.310 nan 0.000 0.629 62 R N 0.706 121.276 120.500 0.117 0.000 2.103 62 R HA -0.053 4.287 4.340 -0.001 0.000 0.242 62 R C 1.132 177.317 176.300 -0.192 0.000 1.142 62 R CA 2.194 58.292 56.100 -0.004 0.000 0.960 62 R CB -0.771 29.452 30.300 -0.128 0.000 0.858 62 R HN 0.812 nan 8.270 nan 0.000 0.439 63 H N -2.274 116.861 119.070 0.109 0.000 2.923 63 H HA 0.298 4.854 4.556 -0.001 0.000 0.268 63 H C -0.712 174.404 175.328 -0.354 0.000 1.148 63 H CA -0.294 55.640 56.048 -0.189 0.000 1.146 63 H CB 0.697 30.366 29.762 -0.156 0.000 1.607 63 H HN 0.063 nan 8.280 nan 0.000 0.566 64 L N 0.947 122.261 121.223 0.151 0.000 2.445 64 L HA 0.723 5.062 4.340 -0.001 0.000 0.262 64 L C -1.491 175.691 176.870 0.520 0.000 0.974 64 L CA -0.779 54.211 54.840 0.249 0.000 0.822 64 L CB 1.988 44.163 42.059 0.194 0.000 1.339 64 L HN 0.020 nan 8.230 nan 0.000 0.409 65 A N 3.229 126.354 122.820 0.507 0.000 2.414 65 A HA 0.875 5.195 4.320 -0.001 0.000 0.306 65 A C -1.907 175.897 177.584 0.368 0.000 1.054 65 A CA -0.319 51.957 52.037 0.398 0.000 0.724 65 A CB 0.989 20.119 19.000 0.216 0.000 1.267 65 A HN 1.022 nan 8.150 nan 0.000 0.418 66 W N 0.875 122.215 121.300 0.068 0.000 3.083 66 W HA 0.825 5.485 4.660 -0.001 0.000 0.333 66 W C -0.732 175.734 176.519 -0.088 0.000 1.217 66 W CA -0.370 56.959 57.345 -0.027 0.000 1.170 66 W CB 1.180 30.604 29.460 -0.060 0.000 1.437 66 W HN 0.857 nan 8.180 nan 0.000 0.557 67 T N 0.273 114.698 114.554 -0.214 0.000 2.681 67 T HA 0.526 4.875 4.350 -0.001 0.000 0.296 67 T C -1.759 172.720 174.700 -0.368 0.000 1.157 67 T CA -0.492 61.398 62.100 -0.351 0.000 1.025 67 T CB 1.168 69.908 68.868 -0.214 0.000 1.441 67 T HN 0.673 nan 8.240 nan 0.000 0.504 68 H N 0.313 119.451 119.070 0.114 0.000 2.980 68 H HA 0.618 5.173 4.556 -0.001 0.000 0.367 68 H C -0.740 174.638 175.328 0.083 0.000 1.206 68 H CA -0.479 55.659 56.048 0.150 0.000 1.126 68 H CB 1.938 31.834 29.762 0.222 0.000 1.838 68 H HN 0.821 nan 8.280 nan 0.000 0.552 69 T N -1.718 112.989 114.554 0.256 0.000 2.933 69 T HA 0.348 4.698 4.350 -0.001 0.000 0.305 69 T C -0.243 174.610 174.700 0.256 0.000 1.092 69 T CA -0.826 61.387 62.100 0.188 0.000 1.008 69 T CB 1.315 70.277 68.868 0.157 0.000 1.102 69 T HN 0.226 nan 8.240 nan 0.000 0.469 70 V N 3.961 124.041 119.914 0.277 0.000 2.557 70 V HA 0.167 4.286 4.120 -0.001 0.000 0.301 70 V C 0.756 177.033 176.094 0.305 0.000 1.026 70 V CA 0.170 62.685 62.300 0.359 0.000 1.137 70 V CB -0.589 31.448 31.823 0.357 0.000 0.917 70 V HN 1.094 nan 8.190 nan 0.000 0.484 71 D N 3.149 123.755 120.400 0.343 0.000 2.451 71 D HA 0.252 4.892 4.640 -0.001 0.000 0.259 71 D C 1.009 177.470 176.300 0.268 0.000 1.201 71 D CA 0.024 54.204 54.000 0.300 0.000 1.028 71 D CB 0.741 41.723 40.800 0.303 0.000 1.095 71 D HN 0.544 nan 8.370 nan 0.000 0.539 72 T N -3.571 111.100 114.554 0.195 0.000 3.069 72 T HA 0.203 4.553 4.350 -0.001 0.000 0.252 72 T C 0.431 175.164 174.700 0.056 0.000 1.053 72 T CA -0.551 61.629 62.100 0.133 0.000 0.964 72 T CB -0.485 68.447 68.868 0.108 0.000 1.005 72 T HN 0.234 nan 8.240 nan 0.000 0.532 73 S N 2.337 118.055 115.700 0.029 0.000 2.579 73 S HA 0.389 4.859 4.470 -0.001 0.000 0.275 73 S C 0.378 174.724 174.600 -0.423 0.000 1.345 73 S CA -0.585 57.512 58.200 -0.171 0.000 1.031 73 S CB 0.818 63.916 63.200 -0.170 0.000 0.892 73 S HN 0.465 nan 8.310 nan 0.000 0.529 74 S N 1.773 117.206 115.700 -0.444 0.000 2.545 74 S HA 0.201 4.671 4.470 -0.001 0.000 0.275 74 S C 0.391 174.607 174.600 -0.640 0.000 1.299 74 S CA -0.581 57.320 58.200 -0.498 0.000 1.048 74 S CB 0.115 63.031 63.200 -0.474 0.000 0.938 74 S HN 0.696 nan 8.310 nan 0.000 0.496 75 H N 1.934 121.040 119.070 0.061 0.000 2.662 75 H HA 0.292 4.848 4.556 -0.001 0.000 0.268 75 H C -0.520 175.006 175.328 0.330 0.000 1.152 75 H CA -0.017 56.148 56.048 0.193 0.000 1.072 75 H CB 0.065 30.016 29.762 0.315 0.000 1.660 75 H HN 0.635 nan 8.280 nan 0.000 0.584 76 F N -0.549 119.476 119.950 0.125 0.000 2.741 76 F HA 0.530 5.057 4.527 -0.001 0.000 0.311 76 F C -1.128 174.762 175.800 0.150 0.000 1.149 76 F CA -1.213 56.924 58.000 0.228 0.000 0.930 76 F CB 1.294 40.416 39.000 0.204 0.000 1.312 76 F HN -0.148 nan 8.300 nan 0.000 0.450 77 T N 0.449 115.190 114.554 0.310 0.000 2.893 77 T HA 0.716 5.065 4.350 -0.001 0.000 0.293 77 T C -0.905 173.887 174.700 0.154 0.000 1.027 77 T CA -0.818 61.281 62.100 -0.002 0.000 0.988 77 T CB 1.593 70.457 68.868 -0.007 0.000 1.043 77 T HN 0.898 nan 8.240 nan 0.000 0.461 78 L N 2.312 123.557 121.223 0.035 0.000 2.417 78 L HA 0.415 4.754 4.340 -0.001 0.000 0.268 78 L C -0.771 175.992 176.870 -0.177 0.000 1.158 78 L CA -0.815 54.058 54.840 0.056 0.000 0.819 78 L CB 0.360 42.457 42.059 0.064 0.000 1.112 78 L HN 0.678 nan 8.230 nan 0.000 0.458 79 Y N 1.723 121.978 120.300 -0.076 0.000 2.331 79 Y HA 0.347 4.896 4.550 -0.001 0.000 0.334 79 Y C 0.129 175.853 175.900 -0.293 0.000 0.960 79 Y CA -0.633 57.297 58.100 -0.283 0.000 1.130 79 Y CB 1.452 39.477 38.460 -0.725 0.000 1.164 79 Y HN 0.450 nan 8.280 nan 0.000 0.458 80 R N 4.799 125.167 120.500 -0.219 0.000 2.296 80 R HA 0.382 4.721 4.340 -0.001 0.000 0.323 80 R C -1.237 174.852 176.300 -0.353 0.000 1.067 80 R CA -0.153 55.579 56.100 -0.613 0.000 0.946 80 R CB 0.168 30.169 30.300 -0.498 0.000 0.991 80 R HN 0.718 nan 8.270 nan 0.000 0.448 81 L N 3.668 124.655 121.223 -0.392 0.000 2.334 81 L HA 0.448 4.788 4.340 -0.001 0.000 0.277 81 L C 0.268 177.057 176.870 -0.135 0.000 1.075 81 L CA -0.845 53.883 54.840 -0.187 0.000 0.804 81 L CB 1.649 43.562 42.059 -0.244 0.000 1.174 81 L HN 0.673 nan 8.230 nan 0.000 0.438 82 A N 4.669 127.479 122.820 -0.017 0.000 2.269 82 A HA 0.570 4.889 4.320 -0.001 0.000 0.302 82 A C -0.238 177.375 177.584 0.049 0.000 1.266 82 A CA -0.497 51.541 52.037 0.002 0.000 0.894 82 A CB 0.159 19.168 19.000 0.015 0.000 1.147 82 A HN 0.646 nan 8.150 nan 0.000 0.537 83 L N 1.968 123.215 121.223 0.040 0.000 2.395 83 L HA 0.162 4.502 4.340 -0.001 0.000 0.269 83 L C 0.590 177.501 176.870 0.067 0.000 1.133 83 L CA -0.748 54.140 54.840 0.080 0.000 0.812 83 L CB 0.658 42.776 42.059 0.098 0.000 1.125 83 L HN 0.687 nan 8.230 nan 0.000 0.452 84 D N 4.770 125.213 120.400 0.070 0.000 2.472 84 D HA -0.018 4.622 4.640 -0.001 0.000 0.248 84 D C -1.454 174.873 176.300 0.045 0.000 1.174 84 D CA -1.223 52.802 54.000 0.041 0.000 0.883 84 D CB 1.357 42.176 40.800 0.033 0.000 1.149 84 D HN 0.272 nan 8.370 nan 0.000 0.488 85 P HA -0.123 nan 4.420 nan 0.000 0.221 85 P C 0.589 177.906 177.300 0.028 0.000 1.145 85 P CA 1.074 64.192 63.100 0.030 0.000 0.795 85 P CB 0.339 32.051 31.700 0.020 0.000 0.775 86 K N -1.259 119.156 120.400 0.025 0.000 2.367 86 K HA 0.075 4.395 4.320 -0.001 0.000 0.194 86 K C 0.183 176.800 176.600 0.029 0.000 1.027 86 K CA 0.170 56.470 56.287 0.022 0.000 1.075 86 K CB 0.358 32.867 32.500 0.015 0.000 0.845 86 K HN 0.001 nan 8.250 nan 0.000 0.529 87 D N -0.233 120.194 120.400 0.044 0.000 2.419 87 D HA 0.057 4.697 4.640 -0.001 0.000 0.219 87 D C -2.476 173.883 176.300 0.098 0.000 1.349 87 D CA -1.504 52.531 54.000 0.058 0.000 0.964 87 D CB 1.654 42.486 40.800 0.053 0.000 1.463 87 D HN -0.207 nan 8.370 nan 0.000 0.573 88 P HA 0.041 nan 4.420 nan 0.000 0.242 88 P C 0.747 178.248 177.300 0.335 0.000 1.197 88 P CA 0.253 63.480 63.100 0.212 0.000 0.765 88 P CB 0.312 32.098 31.700 0.142 0.000 0.936 89 R N -0.697 119.940 120.500 0.229 0.000 2.359 89 R HA 0.216 4.555 4.340 -0.001 0.000 0.231 89 R C 0.774 177.226 176.300 0.253 0.000 0.913 89 R CA -0.030 56.236 56.100 0.277 0.000 1.075 89 R CB 0.350 30.775 30.300 0.207 0.000 1.087 89 R HN 0.177 nan 8.270 nan 0.000 0.515 90 R N 0.190 120.813 120.500 0.204 0.000 2.803 90 R HA 0.347 4.686 4.340 -0.001 0.000 0.276 90 R C -1.365 175.054 176.300 0.199 0.000 0.978 90 R CA -0.895 55.301 56.100 0.161 0.000 0.939 90 R CB 1.727 32.058 30.300 0.052 0.000 1.179 90 R HN -0.085 nan 8.270 nan 0.000 0.472 91 Y N -1.106 119.189 120.300 -0.009 0.000 2.562 91 Y HA 0.595 5.145 4.550 -0.001 0.000 0.345 91 Y C -1.481 174.404 175.900 -0.025 0.000 1.045 91 Y CA -1.474 56.609 58.100 -0.028 0.000 1.028 91 Y CB 1.134 39.559 38.460 -0.058 0.000 1.297 91 Y HN 0.320 nan 8.280 nan 0.000 0.463 92 L N 3.460 124.696 121.223 0.022 0.000 2.295 92 L HA 0.749 5.089 4.340 -0.001 0.000 0.285 92 L C -0.896 175.972 176.870 -0.003 0.000 1.035 92 L CA -1.163 53.647 54.840 -0.050 0.000 0.806 92 L CB 1.608 43.661 42.059 -0.009 0.000 1.214 92 L HN 0.560 nan 8.230 nan 0.000 0.426 93 V N 1.899 121.772 119.914 -0.068 0.000 2.483 93 V HA 0.265 4.385 4.120 -0.001 0.000 0.297 93 V C -0.523 175.554 176.094 -0.028 0.000 1.027 93 V CA -0.604 61.687 62.300 -0.015 0.000 0.855 93 V CB 1.463 33.261 31.823 -0.041 0.000 0.995 93 V HN 0.825 nan 8.190 nan 0.000 0.424 94 D N 4.060 124.460 120.400 -0.001 0.000 2.751 94 D HA -0.196 4.444 4.640 -0.001 0.000 0.233 94 D C 1.381 177.670 176.300 -0.017 0.000 1.149 94 D CA 1.845 55.842 54.000 -0.006 0.000 0.682 94 D CB -1.181 39.613 40.800 -0.010 0.000 1.068 94 D HN 1.469 nan 8.370 nan 0.000 0.429 95 G N -0.373 108.416 108.800 -0.017 0.000 2.184 95 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.264 95 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.264 95 G C 0.361 175.237 174.900 -0.039 0.000 0.975 95 G CA 0.556 45.643 45.100 -0.022 0.000 0.642 95 G HN 0.679 nan 8.290 nan 0.000 0.536 96 R N 0.590 121.054 120.500 -0.059 0.000 2.312 96 R HA 0.568 4.907 4.340 -0.001 0.000 0.311 96 R C 0.168 176.391 176.300 -0.129 0.000 1.004 96 R CA 0.094 56.144 56.100 -0.083 0.000 0.902 96 R CB 0.878 31.126 30.300 -0.086 0.000 1.073 96 R HN 0.151 nan 8.270 nan 0.000 0.457 97 S N 4.508 120.137 115.700 -0.119 0.000 2.474 97 S HA 0.301 4.770 4.470 -0.001 0.000 0.276 97 S C -0.721 173.749 174.600 -0.216 0.000 1.227 97 S CA -0.592 57.517 58.200 -0.152 0.000 1.050 97 S CB 0.214 63.362 63.200 -0.085 0.000 0.939 97 S HN 0.364 nan 8.310 nan 0.000 0.490 98 L N 7.759 128.745 121.223 -0.394 0.000 2.334 98 L HA 0.657 4.996 4.340 -0.001 0.000 0.276 98 L C -2.131 174.538 176.870 -0.334 0.000 1.014 98 L CA -2.121 52.445 54.840 -0.457 0.000 0.815 98 L CB 1.725 43.303 42.059 -0.802 0.000 1.268 98 L HN 0.455 nan 8.230 nan 0.000 0.428 99 P HA 0.284 nan 4.420 nan 0.000 0.286 99 P C -0.745 176.668 177.300 0.188 0.000 1.261 99 P CA -0.555 62.571 63.100 0.042 0.000 0.821 99 P CB 0.924 32.646 31.700 0.037 0.000 1.013 100 L N 1.897 123.295 121.223 0.292 0.000 2.439 100 L HA 0.193 4.532 4.340 -0.001 0.000 0.269 100 L C 1.245 178.249 176.870 0.223 0.000 1.179 100 L CA -0.069 54.959 54.840 0.313 0.000 0.828 100 L CB 0.009 42.286 42.059 0.364 0.000 1.106 100 L HN 0.300 nan 8.230 nan 0.000 0.467 101 E N 2.315 122.609 120.200 0.156 0.000 2.301 101 E HA 0.221 4.571 4.350 -0.001 0.000 0.275 101 E C -0.922 175.700 176.600 0.036 0.000 1.030 101 E CA -0.422 56.026 56.400 0.080 0.000 0.852 101 E CB 1.108 30.832 29.700 0.040 0.000 1.060 101 E HN 0.485 nan 8.360 nan 0.000 0.401 102 E N 2.444 122.617 120.200 -0.046 0.000 2.114 102 E HA 0.216 4.566 4.350 -0.001 0.000 0.266 102 E C -0.784 175.734 176.600 -0.136 0.000 0.896 102 E CA -0.722 55.554 56.400 -0.207 0.000 0.750 102 E CB 1.370 30.916 29.700 -0.256 0.000 1.121 102 E HN 0.026 nan 8.360 nan 0.000 0.413 103 K N 1.735 122.059 120.400 -0.126 0.000 2.358 103 K HA 0.300 4.620 4.320 -0.001 0.000 0.260 103 K C -1.072 175.493 176.600 -0.059 0.000 0.956 103 K CA -0.478 55.770 56.287 -0.064 0.000 0.834 103 K CB 1.425 33.910 32.500 -0.024 0.000 1.102 103 K HN 0.241 nan 8.250 nan 0.000 0.431 104 S N 2.656 118.328 115.700 -0.046 0.000 2.525 104 S HA 0.456 4.926 4.470 -0.001 0.000 0.278 104 S C -0.636 173.971 174.600 0.011 0.000 1.234 104 S CA -0.759 57.428 58.200 -0.021 0.000 1.058 104 S CB 0.822 64.004 63.200 -0.031 0.000 0.983 104 S HN 0.496 nan 8.310 nan 0.000 0.495 105 V N 0.596 120.536 119.914 0.044 0.000 2.769 105 V HA 1.005 5.125 4.120 -0.001 0.000 0.312 105 V C -0.196 175.925 176.094 0.044 0.000 1.058 105 V CA -1.130 61.193 62.300 0.039 0.000 0.952 105 V CB 1.292 33.138 31.823 0.038 0.000 1.019 105 V HN 0.892 nan 8.190 nan 0.000 0.445 106 A N 5.087 127.923 122.820 0.026 0.000 2.331 106 A HA 0.885 5.204 4.320 -0.001 0.000 0.320 106 A C -0.772 176.822 177.584 0.017 0.000 1.138 106 A CA -0.661 51.391 52.037 0.024 0.000 0.790 106 A CB 0.929 19.938 19.000 0.015 0.000 1.206 106 A HN 0.764 nan 8.150 nan 0.000 0.470 107 I N 1.840 122.421 120.570 0.018 0.000 2.509 107 I HA 0.368 4.537 4.170 -0.001 0.000 0.293 107 I C -0.245 175.876 176.117 0.007 0.000 1.020 107 I CA -0.639 60.665 61.300 0.008 0.000 1.088 107 I CB 1.751 39.753 38.000 0.003 0.000 1.267 107 I HN 0.600 nan 8.210 nan 0.000 0.430 108 E N 4.635 124.836 120.200 0.002 0.000 2.259 108 E HA 0.427 4.777 4.350 -0.001 0.000 0.281 108 E C -0.846 175.753 176.600 -0.001 0.000 1.027 108 E CA -0.454 55.947 56.400 0.001 0.000 0.838 108 E CB 2.373 32.073 29.700 -0.001 0.000 1.066 108 E HN 0.219 nan 8.360 nan 0.000 0.401 109 V N 3.771 123.685 119.914 0.000 0.000 2.444 109 V HA 0.275 4.395 4.120 -0.001 0.000 0.294 109 V C 0.376 176.469 176.094 -0.002 0.000 1.022 109 V CA -0.805 61.494 62.300 -0.001 0.000 0.850 109 V CB 1.763 33.587 31.823 0.002 0.000 0.992 109 V HN 0.486 nan 8.190 nan 0.000 0.426 110 R N 2.980 123.477 120.500 -0.003 0.000 2.316 110 R HA 0.476 4.815 4.340 -0.001 0.000 0.314 110 R C 0.508 176.806 176.300 -0.003 0.000 1.069 110 R CA 0.117 56.215 56.100 -0.004 0.000 0.959 110 R CB 0.742 31.039 30.300 -0.005 0.000 0.987 110 R HN 0.926 nan 8.270 nan 0.000 0.446 111 G N 1.662 110.461 108.800 -0.003 0.000 2.535 111 G HA2 0.347 4.307 3.960 -0.001 0.000 0.303 111 G HA3 0.347 4.307 3.960 -0.001 0.000 0.303 111 G C 0.752 175.650 174.900 -0.003 0.000 1.237 111 G CA -0.006 45.092 45.100 -0.002 0.000 0.986 111 G HN 0.744 nan 8.290 nan 0.000 0.494 112 A N 0.107 122.925 122.820 -0.003 0.000 1.917 112 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 112 A C 1.925 179.508 177.584 -0.003 0.000 1.182 112 A CA 2.388 54.423 52.037 -0.003 0.000 0.633 112 A CB -0.546 18.452 19.000 -0.003 0.000 0.819 112 A HN 0.665 nan 8.150 nan 0.000 0.448 113 D N -1.812 118.587 120.400 -0.003 0.000 2.378 113 D HA 0.194 4.833 4.640 -0.001 0.000 0.227 113 D C 1.257 177.555 176.300 -0.003 0.000 1.012 113 D CA 1.120 55.119 54.000 -0.003 0.000 0.905 113 D CB -0.842 39.956 40.800 -0.002 0.000 0.895 113 D HN 0.937 nan 8.370 nan 0.000 0.532 114 G N -0.119 108.679 108.800 -0.003 0.000 2.179 114 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.260 114 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.260 114 G C 0.214 175.112 174.900 -0.003 0.000 0.977 114 G CA 0.371 45.469 45.100 -0.004 0.000 0.641 114 G HN 0.502 nan 8.290 nan 0.000 0.533 115 K N -0.246 120.152 120.400 -0.003 0.000 2.095 115 K HA 0.709 5.029 4.320 -0.001 0.000 0.252 115 K C 0.407 177.006 176.600 -0.002 0.000 0.977 115 K CA -0.783 55.503 56.287 -0.002 0.000 0.900 115 K CB 1.304 33.803 32.500 -0.002 0.000 1.060 115 K HN 0.140 nan 8.250 nan 0.000 0.449 116 L N 1.382 122.604 121.223 -0.002 0.000 2.312 116 L HA 0.275 4.614 4.340 -0.001 0.000 0.281 116 L C -0.175 176.696 176.870 0.000 0.000 1.070 116 L CA -0.372 54.467 54.840 -0.001 0.000 0.805 116 L CB 1.552 43.610 42.059 -0.002 0.000 1.174 116 L HN 0.562 nan 8.230 nan 0.000 0.434 117 S N 2.143 117.844 115.700 0.001 0.000 2.532 117 S HA 0.492 4.962 4.470 -0.001 0.000 0.301 117 S C -0.492 174.111 174.600 0.005 0.000 1.083 117 S CA -0.751 57.451 58.200 0.003 0.000 1.025 117 S CB 2.098 65.300 63.200 0.004 0.000 1.056 117 S HN 0.509 nan 8.310 nan 0.000 0.494 118 R N 2.084 122.587 120.500 0.006 0.000 2.221 118 R HA 0.523 4.862 4.340 -0.001 0.000 0.327 118 R C -1.438 174.870 176.300 0.014 0.000 1.033 118 R CA -0.256 55.850 56.100 0.009 0.000 0.887 118 R CB 0.350 30.654 30.300 0.007 0.000 1.057 118 R HN 0.448 nan 8.270 nan 0.000 0.455 119 V N 4.479 124.405 119.914 0.020 0.000 2.398 119 V HA 0.280 4.399 4.120 -0.001 0.000 0.286 119 V C -0.247 175.873 176.094 0.044 0.000 1.026 119 V CA -0.640 61.679 62.300 0.032 0.000 0.868 119 V CB 1.640 33.485 31.823 0.037 0.000 0.982 119 V HN 0.818 nan 8.190 nan 0.000 0.443 120 E N 2.351 122.579 120.200 0.046 0.000 2.179 120 E HA 0.561 4.911 4.350 -0.001 0.000 0.275 120 E C -1.236 175.417 176.600 0.088 0.000 0.945 120 E CA -0.617 55.815 56.400 0.052 0.000 0.792 120 E CB 1.838 31.549 29.700 0.019 0.000 1.125 120 E HN 0.783 nan 8.360 nan 0.000 0.397 121 H N 1.483 120.552 119.070 -0.003 0.000 2.759 121 H HA 0.292 4.848 4.556 -0.001 0.000 0.354 121 H C -1.282 174.037 175.328 -0.015 0.000 1.074 121 H CA -0.855 55.195 56.048 0.004 0.000 1.226 121 H CB 1.108 30.879 29.762 0.016 0.000 1.648 121 H HN 0.217 nan 8.280 nan 0.000 0.529 122 K N 4.484 124.681 120.400 -0.338 0.000 2.227 122 K HA 0.398 4.717 4.320 -0.001 0.000 0.280 122 K C -1.218 175.309 176.600 -0.123 0.000 1.041 122 K CA -0.668 55.473 56.287 -0.243 0.000 0.905 122 K CB 0.781 33.074 32.500 -0.344 0.000 1.068 122 K HN 0.356 nan 8.250 nan 0.000 0.470 123 V N 5.937 125.832 119.914 -0.031 0.000 2.347 123 V HA 0.222 4.341 4.120 -0.001 0.000 0.280 123 V C -0.810 175.268 176.094 -0.026 0.000 1.021 123 V CA -0.804 61.547 62.300 0.085 0.000 0.847 123 V CB 0.348 32.241 31.823 0.118 0.000 0.990 123 V HN 0.633 nan 8.190 nan 0.000 0.444 124 Y N 3.525 123.915 120.300 0.151 0.000 2.304 124 Y HA 0.512 5.061 4.550 -0.001 0.000 0.328 124 Y C 0.637 176.563 175.900 0.044 0.000 1.123 124 Y CA -0.007 58.173 58.100 0.134 0.000 1.218 124 Y CB 1.034 39.658 38.460 0.273 0.000 1.207 124 Y HN 0.571 nan 8.280 nan 0.000 0.495 125 Q N 1.538 121.425 119.800 0.144 0.000 2.372 125 Q HA 0.533 4.872 4.340 -0.001 0.000 0.273 125 Q C -0.930 175.061 176.000 -0.014 0.000 1.078 125 Q CA -1.018 54.808 55.803 0.039 0.000 0.806 125 Q CB 2.474 31.227 28.738 0.024 0.000 1.332 125 Q HN 0.774 nan 8.270 nan 0.000 0.435 126 S N 0.465 116.092 115.700 -0.121 0.000 2.739 126 S HA 0.449 4.918 4.470 -0.001 0.000 0.306 126 S C 1.217 175.708 174.600 -0.181 0.000 1.115 126 S CA -0.808 57.252 58.200 -0.234 0.000 0.985 126 S CB 0.445 63.303 63.200 -0.570 0.000 1.133 126 S HN 0.803 nan 8.310 nan 0.000 0.541 127 I N -1.843 118.584 120.570 -0.238 0.000 2.502 127 I HA -0.171 3.999 4.170 -0.001 0.000 0.258 127 I C 1.459 177.285 176.117 -0.484 0.000 1.172 127 I CA 1.519 62.595 61.300 -0.373 0.000 1.430 127 I CB -0.741 36.980 38.000 -0.465 0.000 1.086 127 I HN 0.607 nan 8.210 nan 0.000 0.440 128 Y N 2.284 122.435 120.300 -0.248 0.000 2.475 128 Y HA 0.457 5.006 4.550 -0.001 0.000 0.289 128 Y C 1.575 177.377 175.900 -0.163 0.000 1.121 128 Y CA 0.264 58.183 58.100 -0.301 0.000 1.257 128 Y CB -0.458 37.764 38.460 -0.397 0.000 1.026 128 Y HN 0.446 nan 8.280 nan 0.000 0.555 129 G N -0.772 108.026 108.800 -0.002 0.000 2.346 129 G HA2 0.046 4.006 3.960 -0.001 0.000 0.294 129 G HA3 0.046 4.006 3.960 -0.001 0.000 0.294 129 G C -3.132 171.774 174.900 0.010 0.000 1.294 129 G CA -1.237 43.875 45.100 0.019 0.000 0.962 129 G HN -0.196 nan 8.290 nan 0.000 0.508 130 P HA 0.506 nan 4.420 nan 0.000 0.274 130 P C -0.330 176.977 177.300 0.012 0.000 1.231 130 P CA -0.302 62.819 63.100 0.034 0.000 0.790 130 P CB 0.951 32.685 31.700 0.057 0.000 0.951 131 L N 2.375 123.598 121.223 0.000 0.000 2.439 131 L HA 0.244 4.584 4.340 -0.001 0.000 0.269 131 L C 0.550 177.444 176.870 0.040 0.000 1.179 131 L CA 0.111 54.913 54.840 -0.064 0.000 0.828 131 L CB 0.565 42.471 42.059 -0.254 0.000 1.106 131 L HN 0.253 nan 8.230 nan 0.000 0.467 132 V N 0.809 120.738 119.914 0.025 0.000 2.789 132 V HA 0.786 4.905 4.120 -0.001 0.000 0.311 132 V C -0.727 175.414 176.094 0.078 0.000 1.073 132 V CA -0.733 61.597 62.300 0.050 0.000 0.921 132 V CB 1.982 33.781 31.823 -0.041 0.000 1.009 132 V HN 0.326 nan 8.190 nan 0.000 0.426 133 V N 4.025 124.034 119.914 0.158 0.000 2.444 133 V HA 0.478 4.597 4.120 -0.001 0.000 0.294 133 V C -1.267 175.021 176.094 0.323 0.000 1.022 133 V CA -0.207 62.219 62.300 0.209 0.000 0.850 133 V CB 1.886 33.863 31.823 0.256 0.000 0.992 133 V HN 0.934 nan 8.190 nan 0.000 0.426 134 W N 6.470 127.779 121.300 0.016 0.000 2.282 134 W HA 0.474 5.133 4.660 -0.001 0.000 0.322 134 W C -2.451 174.071 176.519 0.004 0.000 1.011 134 W CA -3.355 53.985 57.345 -0.008 0.000 1.392 134 W CB 0.800 30.230 29.460 -0.051 0.000 1.215 134 W HN 0.341 nan 8.180 nan 0.000 0.394 135 P HA 0.117 nan 4.420 nan 0.000 0.260 135 P C 0.995 178.356 177.300 0.100 0.000 1.185 135 P CA 1.647 64.822 63.100 0.124 0.000 0.763 135 P CB 0.569 32.314 31.700 0.075 0.000 0.776 136 G N 2.644 111.504 108.800 0.099 0.000 2.217 136 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.246 136 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.246 136 G C 0.851 175.807 174.900 0.093 0.000 0.990 136 G CA 0.624 45.771 45.100 0.078 0.000 0.627 136 G HN 0.592 nan 8.290 nan 0.000 0.522 137 K N -0.926 119.554 120.400 0.133 0.000 2.606 137 K HA 0.458 4.778 4.320 -0.001 0.000 0.199 137 K C 0.223 176.832 176.600 0.015 0.000 1.403 137 K CA -0.049 56.311 56.287 0.120 0.000 1.011 137 K CB 0.345 32.993 32.500 0.247 0.000 1.623 137 K HN 0.240 nan 8.250 nan 0.000 0.512 138 L N 3.346 124.574 121.223 0.009 0.000 2.435 138 L HA 0.389 4.729 4.340 -0.001 0.000 0.253 138 L C -1.104 175.825 176.870 0.099 0.000 1.087 138 L CA -0.792 53.918 54.840 -0.215 0.000 0.950 138 L CB 1.175 42.874 42.059 -0.600 0.000 1.304 138 L HN 0.102 nan 8.230 nan 0.000 0.453 139 D N 0.739 121.260 120.400 0.202 0.000 2.387 139 D HA 0.196 4.836 4.640 -0.001 0.000 0.251 139 D C -0.878 175.619 176.300 0.329 0.000 1.141 139 D CA -0.135 54.010 54.000 0.240 0.000 0.987 139 D CB 2.078 42.993 40.800 0.192 0.000 1.116 139 D HN 0.263 nan 8.370 nan 0.000 0.491 140 W N 3.289 124.639 121.300 0.085 0.000 2.363 140 W HA 0.175 4.835 4.660 -0.000 0.000 0.314 140 W C -0.671 175.861 176.519 0.021 0.000 0.994 140 W CA -0.976 56.394 57.345 0.043 0.000 1.449 140 W CB -0.518 28.944 29.460 0.005 0.000 1.248 140 W HN 0.354 nan 8.180 nan 0.000 0.409 141 N N 2.610 121.537 118.700 0.379 0.000 3.040 141 N HA 0.417 5.157 4.740 -0.001 0.000 0.339 141 N C 0.725 176.361 175.510 0.211 0.000 1.387 141 N CA -0.436 52.736 53.050 0.204 0.000 0.745 141 N CB 0.653 39.220 38.487 0.134 0.000 1.237 141 N HN 0.231 nan 8.380 nan 0.000 0.565 142 R N -0.977 119.595 120.500 0.120 0.000 2.310 142 R HA 0.294 4.633 4.340 -0.001 0.000 0.202 142 R C 0.610 176.968 176.300 0.097 0.000 0.933 142 R CA 0.342 56.504 56.100 0.103 0.000 1.054 142 R CB 0.006 30.340 30.300 0.057 0.000 0.985 142 R HN 0.480 nan 8.270 nan 0.000 0.489 143 S N 0.140 115.896 115.700 0.093 0.000 2.566 143 S HA 0.019 4.489 4.470 -0.001 0.000 0.234 143 S C 0.327 174.951 174.600 0.041 0.000 1.075 143 S CA 0.104 58.341 58.200 0.061 0.000 0.926 143 S CB 0.518 63.748 63.200 0.050 0.000 0.811 143 S HN 0.406 nan 8.310 nan 0.000 0.518 144 E N -0.183 120.045 120.200 0.046 0.000 2.429 144 E HA 0.818 5.168 4.350 -0.001 0.000 0.276 144 E C -1.170 175.387 176.600 -0.072 0.000 0.953 144 E CA -1.266 55.103 56.400 -0.051 0.000 0.787 144 E CB 1.908 31.553 29.700 -0.090 0.000 1.307 144 E HN 0.144 nan 8.360 nan 0.000 0.458 145 A N 0.686 123.335 122.820 -0.285 0.000 2.588 145 A HA 0.670 4.990 4.320 -0.001 0.000 0.290 145 A C -2.115 175.179 177.584 -0.483 0.000 1.136 145 A CA -0.787 51.041 52.037 -0.348 0.000 0.681 145 A CB 1.211 19.708 19.000 -0.839 0.000 1.282 145 A HN 0.536 nan 8.150 nan 0.000 0.421 146 Y N -0.396 119.753 120.300 -0.251 0.000 2.361 146 Y HA 0.648 5.198 4.550 -0.001 0.000 0.337 146 Y C 0.548 176.331 175.900 -0.195 0.000 0.965 146 Y CA 0.037 58.024 58.100 -0.188 0.000 1.091 146 Y CB 2.208 40.571 38.460 -0.162 0.000 1.182 146 Y HN 0.995 nan 8.280 nan 0.000 0.450 147 A N 3.550 126.353 122.820 -0.029 0.000 2.299 147 A HA 0.872 5.192 4.320 -0.001 0.000 0.332 147 A C -1.689 175.959 177.584 0.106 0.000 1.131 147 A CA -0.856 51.181 52.037 -0.000 0.000 0.844 147 A CB 1.366 20.355 19.000 -0.018 0.000 1.251 147 A HN 0.812 nan 8.150 nan 0.000 0.486 148 L N 0.784 122.077 121.223 0.117 0.000 2.406 148 L HA 0.594 4.934 4.340 -0.001 0.000 0.272 148 L C -0.294 176.707 176.870 0.218 0.000 0.980 148 L CA -0.525 54.423 54.840 0.181 0.000 0.831 148 L CB 1.402 43.514 42.059 0.089 0.000 1.253 148 L HN 0.832 nan 8.230 nan 0.000 0.406 149 R N 3.668 124.363 120.500 0.325 0.000 2.215 149 R HA 0.218 4.558 4.340 -0.001 0.000 0.336 149 R C -1.036 175.542 176.300 0.463 0.000 0.996 149 R CA -0.555 55.702 56.100 0.261 0.000 0.847 149 R CB 0.798 31.120 30.300 0.036 0.000 1.127 149 R HN 0.566 nan 8.270 nan 0.000 0.465 150 D N 3.631 124.247 120.400 0.359 0.000 2.313 150 D HA 0.135 4.774 4.640 -0.001 0.000 0.239 150 D C 0.672 177.265 176.300 0.488 0.000 1.142 150 D CA -0.046 54.210 54.000 0.426 0.000 0.847 150 D CB 1.839 42.791 40.800 0.253 0.000 1.082 150 D HN 0.654 nan 8.370 nan 0.000 0.480 151 A N 4.718 127.918 122.820 0.634 0.000 2.015 151 A HA -0.166 4.153 4.320 -0.001 0.000 0.219 151 A C 1.722 179.527 177.584 0.368 0.000 1.163 151 A CA 0.852 53.240 52.037 0.585 0.000 0.646 151 A CB -0.143 19.079 19.000 0.371 0.000 0.806 151 A HN 0.623 nan 8.150 nan 0.000 0.448 152 N N -0.144 118.749 118.700 0.322 0.000 2.467 152 N HA 0.059 4.799 4.740 -0.001 0.000 0.184 152 N C 1.400 177.030 175.510 0.199 0.000 1.106 152 N CA 0.329 53.527 53.050 0.246 0.000 0.892 152 N CB -0.129 38.518 38.487 0.267 0.000 0.969 152 N HN 0.490 nan 8.380 nan 0.000 0.454 153 L N 0.884 122.226 121.223 0.199 0.000 2.131 153 L HA -0.129 4.211 4.340 -0.001 0.000 0.210 153 L C 1.325 178.271 176.870 0.126 0.000 1.092 153 L CA 1.283 56.211 54.840 0.147 0.000 0.759 153 L CB -0.087 42.051 42.059 0.131 0.000 0.903 153 L HN 0.137 nan 8.230 nan 0.000 0.435 154 E N -1.019 119.268 120.200 0.145 0.000 2.474 154 E HA -0.037 4.312 4.350 -0.001 0.000 0.195 154 E C 0.312 176.979 176.600 0.111 0.000 1.039 154 E CA -0.252 56.219 56.400 0.119 0.000 0.881 154 E CB 0.045 29.822 29.700 0.128 0.000 0.970 154 E HN 0.200 nan 8.360 nan 0.000 0.486 155 N N 1.828 120.601 118.700 0.122 0.000 2.549 155 N HA -0.037 4.703 4.740 -0.001 0.000 0.267 155 N C 0.516 176.076 175.510 0.083 0.000 1.182 155 N CA 0.209 53.319 53.050 0.099 0.000 1.019 155 N CB 0.389 38.940 38.487 0.107 0.000 1.380 155 N HN 0.002 nan 8.380 nan 0.000 0.505 156 T N -0.211 114.384 114.554 0.069 0.000 3.148 156 T HA 0.108 4.458 4.350 -0.001 0.000 0.253 156 T C 1.205 175.937 174.700 0.054 0.000 1.134 156 T CA 0.375 62.510 62.100 0.059 0.000 1.051 156 T CB -0.035 68.863 68.868 0.050 0.000 0.959 156 T HN 0.379 nan 8.240 nan 0.000 0.525 157 R N 0.155 120.685 120.500 0.050 0.000 2.334 157 R HA 0.333 4.673 4.340 -0.001 0.000 0.216 157 R C 2.253 178.582 176.300 0.048 0.000 0.905 157 R CA 0.061 56.183 56.100 0.037 0.000 1.064 157 R CB -0.211 30.097 30.300 0.013 0.000 1.046 157 R HN 0.267 nan 8.270 nan 0.000 0.508 158 V N 1.368 121.329 119.914 0.079 0.000 2.287 158 V HA -0.256 3.864 4.120 -0.001 0.000 0.248 158 V C 1.779 178.017 176.094 0.240 0.000 1.053 158 V CA 1.865 64.253 62.300 0.146 0.000 1.027 158 V CB -0.105 31.815 31.823 0.161 0.000 0.646 158 V HN 0.313 nan 8.190 nan 0.000 0.447 159 L N -0.517 120.811 121.223 0.174 0.000 2.072 159 L HA -0.132 4.208 4.340 -0.001 0.000 0.205 159 L C 2.656 179.645 176.870 0.198 0.000 1.079 159 L CA 1.770 56.722 54.840 0.186 0.000 0.752 159 L CB -0.734 41.382 42.059 0.096 0.000 0.906 159 L HN 0.378 nan 8.230 nan 0.000 0.436 160 Q N 0.451 120.333 119.800 0.136 0.000 2.135 160 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 160 Q C 2.085 178.144 176.000 0.100 0.000 0.981 160 Q CA 1.880 57.764 55.803 0.137 0.000 0.856 160 Q CB -0.201 28.586 28.738 0.082 0.000 0.902 160 Q HN 0.342 nan 8.270 nan 0.000 0.425 161 Q N -0.960 118.858 119.800 0.031 0.000 2.061 161 Q HA -0.153 4.187 4.340 -0.001 0.000 0.204 161 Q C 1.627 177.513 176.000 -0.191 0.000 0.984 161 Q CA 2.033 57.752 55.803 -0.139 0.000 0.846 161 Q CB -0.579 27.991 28.738 -0.281 0.000 0.902 161 Q HN 0.574 nan 8.270 nan 0.000 0.421 162 W N -0.847 120.456 121.300 0.005 0.000 2.436 162 W HA -0.125 4.535 4.660 -0.001 0.000 0.284 162 W C 1.935 178.499 176.519 0.075 0.000 1.225 162 W CA 0.892 58.254 57.345 0.029 0.000 1.271 162 W CB -0.562 28.950 29.460 0.087 0.000 1.114 162 W HN 0.284 nan 8.180 nan 0.000 0.559 163 Y N 1.149 121.544 120.300 0.157 0.000 2.181 163 Y HA -0.264 4.285 4.550 -0.001 0.000 0.288 163 Y C 2.810 178.711 175.900 0.001 0.000 1.146 163 Y CA 1.952 60.102 58.100 0.082 0.000 1.164 163 Y CB -0.942 37.557 38.460 0.066 0.000 0.982 163 Y HN -0.213 nan 8.280 nan 0.000 0.515 164 S N -0.255 115.394 115.700 -0.084 0.000 2.368 164 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 164 S C 2.143 176.580 174.600 -0.270 0.000 1.029 164 S CA 1.528 59.602 58.200 -0.210 0.000 0.988 164 S CB -0.601 62.506 63.200 -0.155 0.000 0.838 164 S HN 0.479 nan 8.310 nan 0.000 0.462 165 I N 2.109 122.487 120.570 -0.321 0.000 2.208 165 I HA -0.244 3.926 4.170 -0.001 0.000 0.245 165 I C 2.265 178.072 176.117 -0.517 0.000 1.097 165 I CA 1.572 62.560 61.300 -0.521 0.000 1.363 165 I CB -0.584 36.962 38.000 -0.756 0.000 1.051 165 I HN 0.442 nan 8.210 nan 0.000 0.413 166 N N 0.128 118.658 118.700 -0.284 0.000 2.272 166 N HA -0.237 4.502 4.740 -0.001 0.000 0.185 166 N C 1.518 176.954 175.510 -0.124 0.000 1.014 166 N CA 0.939 53.928 53.050 -0.101 0.000 0.870 166 N CB -0.067 38.482 38.487 0.103 0.000 0.975 166 N HN 0.530 nan 8.380 nan 0.000 0.433 167 Q N 0.109 119.774 119.800 -0.225 0.000 2.392 167 Q HA 0.223 4.562 4.340 -0.001 0.000 0.203 167 Q C 0.077 175.997 176.000 -0.134 0.000 0.917 167 Q CA -0.352 55.339 55.803 -0.187 0.000 0.939 167 Q CB 0.598 29.173 28.738 -0.273 0.000 1.063 167 Q HN 0.241 nan 8.270 nan 0.000 0.516 168 A N 0.961 123.679 122.820 -0.170 0.000 2.498 168 A HA 0.126 4.446 4.320 -0.001 0.000 0.239 168 A C 1.151 178.706 177.584 -0.049 0.000 1.068 168 A CA 0.294 52.250 52.037 -0.135 0.000 0.766 168 A CB 0.396 19.274 19.000 -0.202 0.000 1.003 168 A HN 0.355 nan 8.150 nan 0.000 0.497 169 S N 1.087 116.770 115.700 -0.028 0.000 2.371 169 S HA 0.117 4.587 4.470 -0.001 0.000 0.219 169 S C 0.454 175.071 174.600 0.029 0.000 1.040 169 S CA 0.885 59.101 58.200 0.028 0.000 0.958 169 S CB -0.312 62.895 63.200 0.012 0.000 0.860 169 S HN 0.912 nan 8.310 nan 0.000 0.487 170 D N -0.573 119.813 120.400 -0.022 0.000 2.798 170 D HA 0.407 5.047 4.640 -0.001 0.000 0.308 170 D C 0.956 177.232 176.300 -0.039 0.000 1.187 170 D CA -0.789 53.189 54.000 -0.037 0.000 1.033 170 D CB 0.771 41.524 40.800 -0.078 0.000 1.445 170 D HN -0.099 nan 8.370 nan 0.000 0.550 171 V N 0.246 120.138 119.914 -0.036 0.000 2.295 171 V HA -0.170 3.950 4.120 -0.001 0.000 0.246 171 V C 2.523 178.591 176.094 -0.042 0.000 1.049 171 V CA 2.888 65.173 62.300 -0.025 0.000 1.024 171 V CB -1.095 30.722 31.823 -0.009 0.000 0.648 171 V HN 0.761 nan 8.190 nan 0.000 0.447 172 A N -0.310 122.482 122.820 -0.046 0.000 1.933 172 A HA -0.298 4.021 4.320 -0.001 0.000 0.218 172 A C 2.030 179.578 177.584 -0.060 0.000 1.175 172 A CA 2.253 54.261 52.037 -0.049 0.000 0.628 172 A CB -0.655 18.318 19.000 -0.046 0.000 0.814 172 A HN 0.624 nan 8.150 nan 0.000 0.444 173 D N -0.738 119.623 120.400 -0.066 0.000 2.123 173 D HA -0.117 4.522 4.640 -0.001 0.000 0.200 173 D C 1.781 178.020 176.300 -0.103 0.000 0.976 173 D CA 1.146 55.099 54.000 -0.078 0.000 0.831 173 D CB -0.201 40.556 40.800 -0.072 0.000 0.974 173 D HN 0.238 nan 8.370 nan 0.000 0.469 174 L N 0.861 122.018 121.223 -0.110 0.000 2.012 174 L HA -0.099 4.240 4.340 -0.001 0.000 0.210 174 L C 2.329 179.112 176.870 -0.145 0.000 1.073 174 L CA 1.790 56.537 54.840 -0.155 0.000 0.748 174 L CB -0.638 41.335 42.059 -0.144 0.000 0.891 174 L HN -0.035 nan 8.230 nan 0.000 0.431 175 R N -0.717 119.720 120.500 -0.105 0.000 2.081 175 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 175 R C 2.463 178.705 176.300 -0.097 0.000 1.131 175 R CA 1.542 57.585 56.100 -0.095 0.000 0.960 175 R CB -0.190 30.071 30.300 -0.066 0.000 0.856 175 R HN 0.378 nan 8.270 nan 0.000 0.436 176 R N 0.006 120.453 120.500 -0.088 0.000 2.083 176 R HA -0.138 4.202 4.340 -0.001 0.000 0.237 176 R C 2.478 178.718 176.300 -0.099 0.000 1.137 176 R CA 1.948 57.999 56.100 -0.082 0.000 0.951 176 R CB -0.305 29.952 30.300 -0.072 0.000 0.851 176 R HN 0.275 nan 8.270 nan 0.000 0.434 177 R N -0.006 120.421 120.500 -0.123 0.000 2.096 177 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 177 R C 2.282 178.481 176.300 -0.168 0.000 1.127 177 R CA 1.194 57.207 56.100 -0.145 0.000 0.968 177 R CB -0.201 29.994 30.300 -0.176 0.000 0.861 177 R HN 0.084 nan 8.270 nan 0.000 0.440 178 V N 0.819 120.622 119.914 -0.184 0.000 2.346 178 V HA -0.151 3.969 4.120 -0.001 0.000 0.244 178 V C 1.917 177.919 176.094 -0.153 0.000 1.037 178 V CA 1.586 63.763 62.300 -0.205 0.000 1.029 178 V CB -0.278 31.413 31.823 -0.220 0.000 0.663 178 V HN 0.298 nan 8.190 nan 0.000 0.454 179 E N 0.356 120.483 120.200 -0.122 0.000 2.153 179 E HA -0.169 4.180 4.350 -0.001 0.000 0.194 179 E C 2.281 178.831 176.600 -0.082 0.000 0.988 179 E CA 1.223 57.566 56.400 -0.094 0.000 0.811 179 E CB -0.259 29.395 29.700 -0.076 0.000 0.746 179 E HN 0.589 nan 8.360 nan 0.000 0.466 180 A N 0.671 123.440 122.820 -0.084 0.000 1.898 180 A HA -0.131 4.188 4.320 -0.001 0.000 0.216 180 A C 2.035 179.579 177.584 -0.066 0.000 1.181 180 A CA 1.026 53.022 52.037 -0.068 0.000 0.620 180 A CB -0.168 18.792 19.000 -0.067 0.000 0.819 180 A HN 0.174 nan 8.150 nan 0.000 0.442 181 L N -1.440 119.732 121.223 -0.085 0.000 2.357 181 L HA 0.151 4.490 4.340 -0.001 0.000 0.211 181 L C 0.619 177.443 176.870 -0.076 0.000 1.075 181 L CA 1.039 55.833 54.840 -0.077 0.000 0.830 181 L CB -0.338 41.666 42.059 -0.093 0.000 0.996 181 L HN 0.562 nan 8.230 nan 0.000 0.467 182 Q N -0.418 119.322 119.800 -0.099 0.000 2.439 182 Q HA -0.226 4.114 4.340 -0.001 0.000 0.325 182 Q C 0.976 176.923 176.000 -0.089 0.000 1.372 182 Q CA 0.419 56.166 55.803 -0.093 0.000 0.909 182 Q CB -2.202 26.502 28.738 -0.057 0.000 1.167 182 Q HN 0.607 nan 8.270 nan 0.000 0.418 183 G N -0.270 108.445 108.800 -0.142 0.000 3.088 183 G HA2 0.248 4.208 3.960 -0.001 0.000 0.217 183 G HA3 0.248 4.208 3.960 -0.001 0.000 0.217 183 G C 0.522 175.316 174.900 -0.177 0.000 1.159 183 G CA -0.341 44.686 45.100 -0.123 0.000 0.760 183 G HN 0.358 nan 8.290 nan 0.000 0.550 184 I N 1.674 122.080 120.570 -0.273 0.000 2.436 184 I HA 0.150 4.320 4.170 -0.001 0.000 0.289 184 I C -1.419 174.581 176.117 -0.195 0.000 1.083 184 I CA -1.811 59.282 61.300 -0.346 0.000 1.372 184 I CB 2.068 39.816 38.000 -0.419 0.000 1.408 184 I HN -0.056 nan 8.210 nan 0.000 0.516 185 P HA -0.077 nan 4.420 nan 0.000 0.214 185 P C 0.307 177.409 177.300 -0.331 0.000 1.162 185 P CA 1.410 64.362 63.100 -0.248 0.000 0.874 185 P CB 0.183 31.623 31.700 -0.434 0.000 0.784 186 W N -2.043 119.107 121.300 -0.250 0.000 0.964 186 W HA 0.501 5.161 4.660 -0.001 0.000 0.236 186 W C -1.082 175.388 176.519 -0.082 0.000 0.808 186 W CA -0.570 56.460 57.345 -0.526 0.000 1.603 186 W CB -0.343 28.835 29.460 -0.471 0.000 0.931 186 W HN -0.275 nan 8.180 nan 0.000 0.416 187 V N -0.979 118.971 119.914 0.060 0.000 2.962 187 V HA 0.562 4.681 4.120 -0.001 0.000 0.313 187 V C 0.005 176.186 176.094 0.146 0.000 1.099 187 V CA -1.089 61.312 62.300 0.169 0.000 0.971 187 V CB 1.661 33.546 31.823 0.104 0.000 1.028 187 V HN 0.072 nan 8.190 nan 0.000 0.430 188 N N 1.271 120.088 118.700 0.196 0.000 2.415 188 N HA 0.379 5.118 4.740 -0.001 0.000 0.248 188 N C -0.217 175.420 175.510 0.212 0.000 1.271 188 N CA 0.141 53.258 53.050 0.111 0.000 0.913 188 N CB 1.063 39.661 38.487 0.186 0.000 1.129 188 N HN 0.923 nan 8.380 nan 0.000 0.444 189 T N 1.548 116.132 114.554 0.049 0.000 2.841 189 T HA 0.556 4.905 4.350 -0.001 0.000 0.285 189 T C -0.413 174.291 174.700 0.007 0.000 0.991 189 T CA -0.516 61.642 62.100 0.095 0.000 0.966 189 T CB 1.011 69.926 68.868 0.078 0.000 0.962 189 T HN 0.150 nan 8.240 nan 0.000 0.438 190 L N 2.472 123.734 121.223 0.064 0.000 2.381 190 L HA 0.949 5.288 4.340 -0.001 0.000 0.268 190 L C -0.209 176.730 176.870 0.115 0.000 0.997 190 L CA -0.537 54.373 54.840 0.117 0.000 0.818 190 L CB 1.941 44.104 42.059 0.174 0.000 1.310 190 L HN 0.863 nan 8.230 nan 0.000 0.416 191 A N 1.688 124.585 122.820 0.128 0.000 2.594 191 A HA 0.997 5.316 4.320 -0.001 0.000 0.295 191 A C -1.630 176.036 177.584 0.136 0.000 1.071 191 A CA -0.167 51.962 52.037 0.153 0.000 0.685 191 A CB 1.790 20.885 19.000 0.157 0.000 1.285 191 A HN 0.874 nan 8.150 nan 0.000 0.405 192 A N 1.124 124.042 122.820 0.165 0.000 2.475 192 A HA 0.840 5.160 4.320 -0.001 0.000 0.301 192 A C -1.140 176.531 177.584 0.144 0.000 1.059 192 A CA -0.172 51.958 52.037 0.155 0.000 0.710 192 A CB 1.263 20.377 19.000 0.189 0.000 1.288 192 A HN 1.197 nan 8.150 nan 0.000 0.408 193 D N -0.294 120.109 120.400 0.005 0.000 2.467 193 D HA 0.309 4.948 4.640 -0.001 0.000 0.245 193 D C 0.671 176.698 176.300 -0.455 0.000 1.038 193 D CA -0.468 53.390 54.000 -0.238 0.000 1.038 193 D CB 0.673 41.379 40.800 -0.157 0.000 1.278 193 D HN 0.521 nan 8.370 nan 0.000 0.564 194 E N -1.047 118.684 120.200 -0.783 0.000 2.118 194 E HA -0.242 4.108 4.350 -0.001 0.000 0.195 194 E C 1.530 178.027 176.600 -0.171 0.000 0.992 194 E CA 1.120 57.189 56.400 -0.552 0.000 0.804 194 E CB 0.110 29.603 29.700 -0.346 0.000 0.741 194 E HN 0.334 nan 8.360 nan 0.000 0.458 195 Q N -0.861 118.848 119.800 -0.152 0.000 2.291 195 Q HA -0.089 4.251 4.340 -0.001 0.000 0.206 195 Q C 1.323 177.300 176.000 -0.038 0.000 0.976 195 Q CA 1.312 57.067 55.803 -0.080 0.000 0.875 195 Q CB 0.341 29.028 28.738 -0.085 0.000 0.927 195 Q HN 0.514 nan 8.270 nan 0.000 0.450 196 G N 1.259 110.042 108.800 -0.028 0.000 2.131 196 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.201 196 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.201 196 G C -0.232 174.677 174.900 0.015 0.000 1.000 196 G CA -0.296 44.813 45.100 0.015 0.000 0.680 196 G HN 0.220 nan 8.290 nan 0.000 0.514 197 N N 0.803 119.505 118.700 0.002 0.000 2.488 197 N HA 0.551 5.290 4.740 -0.001 0.000 0.274 197 N C 0.184 175.717 175.510 0.038 0.000 1.111 197 N CA 0.695 53.751 53.050 0.010 0.000 0.974 197 N CB 1.681 40.164 38.487 -0.006 0.000 1.089 197 N HN 0.679 nan 8.380 nan 0.000 0.465 198 A N 2.462 125.310 122.820 0.046 0.000 2.287 198 A HA 0.512 4.832 4.320 -0.001 0.000 0.317 198 A C -0.670 176.956 177.584 0.071 0.000 1.220 198 A CA -0.615 51.465 52.037 0.072 0.000 0.835 198 A CB 0.494 19.544 19.000 0.084 0.000 1.180 198 A HN 0.578 nan 8.150 nan 0.000 0.500 199 L N 2.884 124.161 121.223 0.089 0.000 2.341 199 L HA 0.711 5.050 4.340 -0.001 0.000 0.278 199 L C -1.268 175.691 176.870 0.148 0.000 1.005 199 L CA -0.551 54.342 54.840 0.089 0.000 0.818 199 L CB 1.541 43.628 42.059 0.047 0.000 1.259 199 L HN 0.641 nan 8.230 nan 0.000 0.418 200 Y N 5.565 125.880 120.300 0.026 0.000 2.376 200 Y HA 0.769 5.318 4.550 -0.001 0.000 0.340 200 Y C -1.277 174.634 175.900 0.018 0.000 0.965 200 Y CA -1.001 57.119 58.100 0.032 0.000 1.078 200 Y CB 1.688 40.168 38.460 0.033 0.000 1.193 200 Y HN 0.635 nan 8.280 nan 0.000 0.452 201 M N 5.937 125.093 119.600 -0.739 0.000 2.263 201 M HA 0.249 4.728 4.480 -0.001 0.000 0.295 201 M C -0.564 175.231 176.300 -0.842 0.000 1.028 201 M CA -0.350 54.575 55.300 -0.625 0.000 0.921 201 M CB 1.958 34.391 32.600 -0.279 0.000 1.601 201 M HN 0.779 nan 8.290 nan 0.000 0.440 202 N N 2.442 120.749 118.700 -0.656 0.000 3.052 202 N HA 0.064 4.803 4.740 -0.001 0.000 0.302 202 N C -0.810 174.598 175.510 -0.169 0.000 1.332 202 N CA -0.116 52.752 53.050 -0.304 0.000 1.129 202 N CB 0.580 38.990 38.487 -0.128 0.000 1.436 202 N HN 0.561 nan 8.380 nan 0.000 0.536 203 Q N 1.680 121.380 119.800 -0.167 0.000 2.465 203 Q HA 0.194 4.533 4.340 -0.001 0.000 0.237 203 Q C -0.624 175.325 176.000 -0.084 0.000 1.051 203 Q CA -0.188 55.545 55.803 -0.117 0.000 0.874 203 Q CB 1.417 30.072 28.738 -0.139 0.000 1.207 203 Q HN 0.529 nan 8.270 nan 0.000 0.508 204 S N -0.748 114.939 115.700 -0.023 0.000 2.840 204 S HA 0.580 5.049 4.470 -0.001 0.000 0.307 204 S C -0.322 174.314 174.600 0.060 0.000 1.180 204 S CA -0.800 57.409 58.200 0.016 0.000 0.846 204 S CB 1.071 64.341 63.200 0.116 0.000 1.233 204 S HN 0.137 nan 8.310 nan 0.000 0.548 205 V N 1.702 121.685 119.914 0.115 0.000 2.389 205 V HA 0.526 4.646 4.120 -0.001 0.000 0.264 205 V C -0.820 175.411 176.094 0.228 0.000 1.049 205 V CA -0.251 62.132 62.300 0.138 0.000 0.932 205 V CB 0.321 32.226 31.823 0.137 0.000 1.011 205 V HN 0.646 nan 8.190 nan 0.000 0.475 206 V N 7.612 127.564 119.914 0.063 0.000 2.577 206 V HA 0.390 4.510 4.120 -0.001 0.000 0.303 206 V C -2.467 173.493 176.094 -0.224 0.000 1.042 206 V CA -2.227 60.030 62.300 -0.072 0.000 0.872 206 V CB 2.340 34.108 31.823 -0.092 0.000 0.998 206 V HN 0.619 nan 8.190 nan 0.000 0.423 207 P HA -0.018 nan 4.420 nan 0.000 0.262 207 P C -1.234 175.770 177.300 -0.493 0.000 1.182 207 P CA 0.322 62.803 63.100 -1.032 0.000 0.761 207 P CB 0.049 30.782 31.700 -1.611 0.000 0.795 208 Y N 4.823 124.860 120.300 -0.438 0.000 2.328 208 Y HA 0.525 5.074 4.550 -0.001 0.000 0.337 208 Y C -0.947 174.893 175.900 -0.100 0.000 1.008 208 Y CA -0.917 57.077 58.100 -0.178 0.000 1.129 208 Y CB 0.635 39.067 38.460 -0.046 0.000 1.185 208 Y HN 0.220 nan 8.280 nan 0.000 0.476 209 L N 6.744 127.748 121.223 -0.364 0.000 2.381 209 L HA 0.430 4.769 4.340 -0.001 0.000 0.274 209 L C -0.413 176.113 176.870 -0.574 0.000 0.988 209 L CA -1.075 53.517 54.840 -0.414 0.000 0.824 209 L CB 1.944 43.895 42.059 -0.178 0.000 1.263 209 L HN 0.578 nan 8.230 nan 0.000 0.410 210 K N 3.856 123.893 120.400 -0.605 0.000 2.485 210 K HA -0.001 4.318 4.320 -0.001 0.000 0.277 210 K C -1.608 174.895 176.600 -0.162 0.000 0.990 210 K CA -1.086 54.981 56.287 -0.366 0.000 0.994 210 K CB 0.500 32.867 32.500 -0.222 0.000 0.906 210 K HN 0.277 nan 8.250 nan 0.000 0.488 211 P HA -0.284 nan 4.420 nan 0.000 0.216 211 P C 0.968 178.241 177.300 -0.044 0.000 1.157 211 P CA 1.409 64.484 63.100 -0.041 0.000 0.880 211 P CB 0.107 31.798 31.700 -0.015 0.000 0.791 212 E N 0.047 120.224 120.200 -0.039 0.000 2.338 212 E HA -0.132 4.217 4.350 -0.001 0.000 0.197 212 E C 1.745 178.326 176.600 -0.032 0.000 1.007 212 E CA 0.986 57.368 56.400 -0.030 0.000 0.849 212 E CB -1.108 28.580 29.700 -0.021 0.000 0.774 212 E HN 0.316 nan 8.360 nan 0.000 0.506 213 L N 0.207 121.402 121.223 -0.046 0.000 2.341 213 L HA 0.081 4.421 4.340 -0.001 0.000 0.214 213 L C 2.513 179.362 176.870 -0.035 0.000 1.115 213 L CA 0.217 55.035 54.840 -0.037 0.000 0.820 213 L CB -0.256 41.776 42.059 -0.044 0.000 0.944 213 L HN 0.018 nan 8.230 nan 0.000 0.452 214 I N 0.441 120.983 120.570 -0.047 0.000 2.142 214 I HA -0.198 3.971 4.170 -0.001 0.000 0.240 214 I C -0.247 175.848 176.117 -0.037 0.000 1.078 214 I CA 1.424 62.695 61.300 -0.048 0.000 1.343 214 I CB -1.527 36.440 38.000 -0.056 0.000 1.046 214 I HN 0.169 nan 8.210 nan 0.000 0.405 215 P HA -0.233 nan 4.420 nan 0.000 0.216 215 P C 1.365 178.654 177.300 -0.018 0.000 1.157 215 P CA 2.122 65.209 63.100 -0.023 0.000 0.880 215 P CB -0.029 31.660 31.700 -0.018 0.000 0.791 216 A N -2.000 120.812 122.820 -0.014 0.000 2.021 216 A HA -0.079 4.240 4.320 -0.001 0.000 0.216 216 A C 2.164 179.744 177.584 -0.006 0.000 1.163 216 A CA 1.100 53.133 52.037 -0.007 0.000 0.676 216 A CB -1.342 17.657 19.000 -0.002 0.000 0.818 216 A HN 0.228 nan 8.150 nan 0.000 0.453 217 c N -0.568 118.025 118.600 -0.012 0.000 2.533 217 c HA 0.503 5.073 4.570 -0.001 0.000 0.272 217 c C 1.689 175.756 174.090 -0.038 0.000 1.371 217 c CA -0.397 55.926 56.329 -0.010 0.000 1.758 217 c CB -1.343 41.169 42.510 0.002 0.000 1.972 217 c HN 0.625 nan 8.230 nan 0.000 0.522 218 A N 1.367 124.161 122.820 -0.044 0.000 2.407 218 A HA 0.489 4.809 4.320 -0.001 0.000 0.248 218 A C 0.040 177.601 177.584 -0.038 0.000 1.082 218 A CA 0.240 52.243 52.037 -0.056 0.000 0.785 218 A CB 0.087 19.055 19.000 -0.053 0.000 1.020 218 A HN 0.370 nan 8.150 nan 0.000 0.489 219 I N 3.653 124.200 120.570 -0.037 0.000 2.281 219 I HA 0.167 4.337 4.170 -0.001 0.000 0.293 219 I C -1.767 174.347 176.117 -0.006 0.000 1.085 219 I CA -1.845 59.451 61.300 -0.007 0.000 1.257 219 I CB 0.479 38.494 38.000 0.025 0.000 1.430 219 I HN 0.420 nan 8.210 nan 0.000 0.489 220 P HA -0.217 nan 4.420 nan 0.000 0.214 220 P C 1.608 178.909 177.300 0.001 0.000 1.163 220 P CA 1.457 64.554 63.100 -0.004 0.000 0.889 220 P CB 0.091 31.791 31.700 0.001 0.000 0.790 221 Q N -0.509 119.299 119.800 0.012 0.000 2.226 221 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 221 Q C 2.061 178.069 176.000 0.015 0.000 0.975 221 Q CA 1.467 57.280 55.803 0.017 0.000 0.866 221 Q CB -1.268 27.487 28.738 0.028 0.000 0.915 221 Q HN 0.326 nan 8.270 nan 0.000 0.440 222 L N 0.182 121.411 121.223 0.009 0.000 2.168 222 L HA -0.026 4.313 4.340 -0.001 0.000 0.203 222 L C 2.528 179.388 176.870 -0.016 0.000 1.078 222 L CA 0.313 55.151 54.840 -0.004 0.000 0.780 222 L CB -0.236 41.813 42.059 -0.016 0.000 0.939 222 L HN -0.008 nan 8.230 nan 0.000 0.451 223 V N 0.592 120.490 119.914 -0.027 0.000 2.392 223 V HA -0.296 3.823 4.120 -0.001 0.000 0.249 223 V C 2.789 178.869 176.094 -0.023 0.000 1.059 223 V CA 1.755 64.031 62.300 -0.040 0.000 1.051 223 V CB -0.819 30.973 31.823 -0.051 0.000 0.658 223 V HN 0.476 nan 8.190 nan 0.000 0.455 224 A N -0.318 122.495 122.820 -0.011 0.000 1.986 224 A HA -0.254 4.065 4.320 -0.001 0.000 0.220 224 A C 1.975 179.563 177.584 0.006 0.000 1.171 224 A CA 1.925 53.961 52.037 -0.002 0.000 0.640 224 A CB -0.393 18.609 19.000 0.004 0.000 0.811 224 A HN 0.679 nan 8.150 nan 0.000 0.451 225 E N -1.606 118.602 120.200 0.013 0.000 2.444 225 E HA 0.332 4.682 4.350 -0.001 0.000 0.191 225 E C 0.920 177.542 176.600 0.037 0.000 1.041 225 E CA 0.184 56.602 56.400 0.031 0.000 0.883 225 E CB -0.028 29.700 29.700 0.047 0.000 1.024 225 E HN 0.707 nan 8.360 nan 0.000 0.470 226 G N 1.539 110.347 108.800 0.014 0.000 2.143 226 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.248 226 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.248 226 G C 0.026 174.930 174.900 0.007 0.000 0.991 226 G CA -0.087 45.019 45.100 0.010 0.000 0.689 226 G HN 0.216 nan 8.290 nan 0.000 0.522 227 L N 1.605 122.822 121.223 -0.009 0.000 2.282 227 L HA 0.413 4.753 4.340 -0.001 0.000 0.288 227 L C -1.724 175.068 176.870 -0.129 0.000 1.033 227 L CA -2.253 52.564 54.840 -0.039 0.000 0.807 227 L CB 1.719 43.757 42.059 -0.035 0.000 1.209 227 L HN -0.085 nan 8.230 nan 0.000 0.423 228 P HA 0.162 nan 4.420 nan 0.000 0.268 228 P C -0.958 176.182 177.300 -0.266 0.000 1.485 228 P CA -0.034 62.873 63.100 -0.321 0.000 1.102 228 P CB 0.681 32.049 31.700 -0.553 0.000 1.501 229 A N 4.804 127.512 122.820 -0.185 0.000 2.343 229 A HA 0.748 5.068 4.320 -0.001 0.000 0.316 229 A C -0.602 176.867 177.584 -0.191 0.000 1.104 229 A CA -0.735 51.209 52.037 -0.154 0.000 0.768 229 A CB 1.059 20.029 19.000 -0.050 0.000 1.213 229 A HN 0.420 nan 8.150 nan 0.000 0.456 230 L N 1.131 122.165 121.223 -0.316 0.000 2.301 230 L HA 0.452 4.791 4.340 -0.001 0.000 0.264 230 L C -0.163 176.601 176.870 -0.176 0.000 1.016 230 L CA -1.069 53.585 54.840 -0.309 0.000 0.821 230 L CB 1.741 43.477 42.059 -0.539 0.000 1.346 230 L HN 0.615 nan 8.230 nan 0.000 0.429 231 Q N 1.295 121.066 119.800 -0.048 0.000 2.324 231 Q HA 0.120 4.459 4.340 -0.001 0.000 0.257 231 Q C 0.767 176.830 176.000 0.105 0.000 1.080 231 Q CA 0.025 55.837 55.803 0.014 0.000 0.907 231 Q CB 1.127 29.877 28.738 0.019 0.000 1.274 231 Q HN 0.901 nan 8.270 nan 0.000 0.434 232 G N 2.557 111.403 108.800 0.077 0.000 3.088 232 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.212 232 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.212 232 G C 0.941 175.923 174.900 0.137 0.000 1.173 232 G CA -0.002 45.109 45.100 0.019 0.000 0.779 232 G HN 0.480 nan 8.290 nan 0.000 0.540 233 Q N 0.261 120.121 119.800 0.100 0.000 2.282 233 Q HA 0.076 4.415 4.340 -0.001 0.000 0.206 233 Q C -0.876 175.174 176.000 0.083 0.000 0.878 233 Q CA 0.044 55.907 55.803 0.100 0.000 0.944 233 Q CB 0.464 29.235 28.738 0.054 0.000 1.100 233 Q HN 0.257 nan 8.270 nan 0.000 0.509 234 D N 1.096 121.554 120.400 0.096 0.000 2.549 234 D HA 0.127 4.767 4.640 -0.001 0.000 0.251 234 D C 0.635 176.994 176.300 0.098 0.000 1.153 234 D CA -0.095 53.951 54.000 0.077 0.000 0.861 234 D CB 1.862 42.699 40.800 0.062 0.000 1.207 234 D HN 0.071 nan 8.370 nan 0.000 0.543 235 S N 3.640 119.384 115.700 0.072 0.000 2.442 235 S HA -0.146 4.323 4.470 -0.001 0.000 0.236 235 S C 1.510 176.154 174.600 0.074 0.000 1.007 235 S CA 0.549 58.790 58.200 0.068 0.000 0.965 235 S CB -0.086 63.130 63.200 0.026 0.000 0.773 235 S HN 0.502 nan 8.310 nan 0.000 0.504 236 R N -0.140 120.399 120.500 0.065 0.000 2.328 236 R HA 0.147 4.487 4.340 -0.001 0.000 0.207 236 R C 1.029 177.381 176.300 0.086 0.000 1.056 236 R CA 0.911 57.048 56.100 0.061 0.000 1.016 236 R CB -0.558 29.766 30.300 0.040 0.000 0.872 236 R HN 0.465 nan 8.270 nan 0.000 0.471 237 c N 0.688 119.365 118.600 0.128 0.000 2.693 237 c HA 0.380 4.950 4.570 -0.001 0.000 0.286 237 c C 1.127 175.405 174.090 0.313 0.000 1.277 237 c CA -1.108 55.334 56.329 0.188 0.000 1.705 237 c CB -1.165 41.460 42.510 0.191 0.000 1.879 237 c HN 0.386 nan 8.230 nan 0.000 0.607 238 A N 0.525 123.489 122.820 0.239 0.000 2.498 238 A HA 0.322 4.641 4.320 -0.001 0.000 0.239 238 A C -0.047 177.746 177.584 0.348 0.000 1.068 238 A CA -0.002 52.179 52.037 0.240 0.000 0.766 238 A CB 0.125 19.197 19.000 0.120 0.000 1.003 238 A HN 0.586 nan 8.150 nan 0.000 0.497 239 W N 1.859 123.272 121.300 0.189 0.000 2.391 239 W HA 0.153 4.812 4.660 -0.001 0.000 0.339 239 W C 0.572 177.134 176.519 0.072 0.000 1.252 239 W CA -0.484 56.932 57.345 0.119 0.000 1.304 239 W CB -0.766 28.789 29.460 0.159 0.000 1.179 239 W HN 0.623 nan 8.180 nan 0.000 0.567 240 S N 3.343 119.157 115.700 0.191 0.000 2.576 240 S HA 0.334 4.804 4.470 -0.001 0.000 0.276 240 S C 0.395 175.149 174.600 0.256 0.000 1.339 240 S CA -0.585 57.664 58.200 0.081 0.000 1.039 240 S CB 0.635 63.673 63.200 -0.270 0.000 0.902 240 S HN 0.219 nan 8.310 nan 0.000 0.516 241 R N 1.874 122.499 120.500 0.209 0.000 2.312 241 R HA 0.392 4.732 4.340 -0.001 0.000 0.311 241 R C -0.824 175.614 176.300 0.230 0.000 1.004 241 R CA -0.432 55.798 56.100 0.217 0.000 0.902 241 R CB 0.772 31.158 30.300 0.143 0.000 1.073 241 R HN 0.529 nan 8.270 nan 0.000 0.457 242 D N 3.694 124.221 120.400 0.212 0.000 2.788 242 D HA 0.209 4.849 4.640 -0.001 0.000 0.247 242 D C -2.027 174.316 176.300 0.072 0.000 1.236 242 D CA -2.079 52.009 54.000 0.146 0.000 0.898 242 D CB 2.309 43.186 40.800 0.129 0.000 1.401 242 D HN 0.144 nan 8.370 nan 0.000 0.549 243 P HA -0.031 nan 4.420 nan 0.000 0.221 243 P C 0.927 178.237 177.300 0.016 0.000 1.145 243 P CA 0.757 63.879 63.100 0.037 0.000 0.795 243 P CB 0.298 32.018 31.700 0.032 0.000 0.775 244 A N -0.584 122.236 122.820 0.001 0.000 2.119 244 A HA 0.276 4.596 4.320 -0.001 0.000 0.216 244 A C 1.349 178.913 177.584 -0.033 0.000 1.152 244 A CA 0.568 52.593 52.037 -0.020 0.000 0.708 244 A CB -0.994 17.986 19.000 -0.033 0.000 0.805 244 A HN 0.256 nan 8.150 nan 0.000 0.460 245 A N -0.640 122.160 122.820 -0.033 0.000 2.425 245 A HA 0.551 4.871 4.320 -0.001 0.000 0.249 245 A C 1.364 178.948 177.584 -0.001 0.000 1.084 245 A CA 0.238 52.255 52.037 -0.033 0.000 0.781 245 A CB 0.238 19.221 19.000 -0.027 0.000 1.019 245 A HN 1.063 nan 8.150 nan 0.000 0.490 246 A N 1.158 123.975 122.820 -0.005 0.000 2.168 246 A HA 0.122 4.441 4.320 -0.001 0.000 0.215 246 A C 0.935 178.537 177.584 0.031 0.000 1.152 246 A CA 1.497 53.537 52.037 0.006 0.000 0.716 246 A CB -0.174 18.821 19.000 -0.008 0.000 0.794 246 A HN 0.862 nan 8.150 nan 0.000 0.465 247 Q N -1.127 118.704 119.800 0.051 0.000 2.309 247 Q HA 0.568 4.908 4.340 -0.001 0.000 0.273 247 Q C -1.064 175.007 176.000 0.118 0.000 1.040 247 Q CA -0.592 55.262 55.803 0.085 0.000 0.834 247 Q CB 1.882 30.680 28.738 0.100 0.000 1.345 247 Q HN 0.313 nan 8.270 nan 0.000 0.414 248 A N 1.654 124.552 122.820 0.129 0.000 2.524 248 A HA 0.490 4.809 4.320 -0.001 0.000 0.250 248 A C 1.133 178.868 177.584 0.252 0.000 1.078 248 A CA 1.123 53.256 52.037 0.160 0.000 0.761 248 A CB -0.560 18.515 19.000 0.126 0.000 1.012 248 A HN 1.450 nan 8.150 nan 0.000 0.500 249 G N 1.328 110.310 108.800 0.303 0.000 2.195 249 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.246 249 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.246 249 G C 0.320 175.459 174.900 0.398 0.000 0.984 249 G CA 0.363 45.748 45.100 0.473 0.000 0.633 249 G HN 1.898 nan 8.290 nan 0.000 0.525 250 I N -0.748 119.966 120.570 0.241 0.000 2.783 250 I HA 0.783 4.952 4.170 -0.001 0.000 0.312 250 I C 0.350 176.468 176.117 0.002 0.000 0.988 250 I CA -0.754 60.603 61.300 0.096 0.000 1.182 250 I CB 1.478 39.523 38.000 0.075 0.000 1.368 250 I HN -0.037 nan 8.210 nan 0.000 0.511 251 T N 5.028 119.531 114.554 -0.085 0.000 2.834 251 T HA 0.264 4.614 4.350 -0.001 0.000 0.298 251 T C -2.313 172.222 174.700 -0.274 0.000 0.966 251 T CA -0.541 61.382 62.100 -0.296 0.000 1.141 251 T CB 0.265 69.053 68.868 -0.133 0.000 0.905 251 T HN 0.493 nan 8.240 nan 0.000 0.535 252 P HA 0.118 nan 4.420 nan 0.000 0.267 252 P C 0.507 177.723 177.300 -0.141 0.000 1.200 252 P CA -0.161 62.804 63.100 -0.225 0.000 0.772 252 P CB 0.409 31.962 31.700 -0.246 0.000 0.855 253 A N 3.569 126.335 122.820 -0.091 0.000 1.940 253 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 253 A C 2.081 179.645 177.584 -0.033 0.000 1.176 253 A CA 2.048 54.047 52.037 -0.063 0.000 0.631 253 A CB -1.586 17.377 19.000 -0.061 0.000 0.814 253 A HN 0.560 nan 8.150 nan 0.000 0.446 254 A N -1.070 121.731 122.820 -0.031 0.000 2.125 254 A HA -0.126 4.194 4.320 -0.001 0.000 0.219 254 A C 1.885 179.496 177.584 0.047 0.000 1.156 254 A CA 1.376 53.414 52.037 0.002 0.000 0.671 254 A CB -0.334 18.660 19.000 -0.011 0.000 0.794 254 A HN 0.673 nan 8.150 nan 0.000 0.459 255 Q N -0.902 118.919 119.800 0.035 0.000 2.282 255 Q HA 0.342 4.681 4.340 -0.001 0.000 0.206 255 Q C -0.628 175.526 176.000 0.257 0.000 0.878 255 Q CA -0.129 55.744 55.803 0.116 0.000 0.944 255 Q CB 0.379 29.128 28.738 0.019 0.000 1.100 255 Q HN 0.544 nan 8.270 nan 0.000 0.509 256 L N 1.727 123.033 121.223 0.139 0.000 2.325 256 L HA 0.439 4.778 4.340 -0.001 0.000 0.278 256 L C -2.321 174.510 176.870 -0.065 0.000 1.023 256 L CA -2.430 52.416 54.840 0.009 0.000 0.811 256 L CB 1.111 43.136 42.059 -0.057 0.000 1.249 256 L HN -0.201 nan 8.230 nan 0.000 0.431 257 P HA 0.065 nan 4.420 nan 0.000 0.264 257 P C -1.041 176.222 177.300 -0.063 0.000 1.193 257 P CA 0.070 62.935 63.100 -0.393 0.000 0.763 257 P CB 0.709 32.042 31.700 -0.610 0.000 0.810 258 V N 4.794 124.756 119.914 0.080 0.000 2.686 258 V HA 0.408 4.527 4.120 -0.001 0.000 0.306 258 V C -0.636 175.553 176.094 0.159 0.000 1.065 258 V CA -0.579 61.770 62.300 0.080 0.000 0.894 258 V CB 2.237 34.076 31.823 0.027 0.000 1.004 258 V HN 0.286 nan 8.190 nan 0.000 0.424 259 L N 5.321 126.666 121.223 0.203 0.000 2.372 259 L HA 0.717 5.057 4.340 -0.001 0.000 0.274 259 L C -1.134 175.795 176.870 0.098 0.000 0.988 259 L CA -0.359 54.569 54.840 0.146 0.000 0.833 259 L CB 1.573 43.715 42.059 0.139 0.000 1.236 259 L HN 0.656 nan 8.230 nan 0.000 0.410 260 L N 5.728 126.982 121.223 0.051 0.000 2.316 260 L HA 0.681 5.021 4.340 -0.001 0.000 0.280 260 L C -0.698 176.176 176.870 0.006 0.000 1.006 260 L CA 0.128 54.986 54.840 0.030 0.000 0.836 260 L CB 0.745 42.816 42.059 0.019 0.000 1.221 260 L HN 0.660 nan 8.230 nan 0.000 0.418 261 R N 3.474 123.973 120.500 -0.002 0.000 2.855 261 R HA 0.572 4.911 4.340 -0.001 0.000 0.266 261 R C -0.027 176.264 176.300 -0.015 0.000 1.034 261 R CA -0.849 55.233 56.100 -0.030 0.000 0.944 261 R CB 1.916 32.166 30.300 -0.084 0.000 1.219 261 R HN 0.508 nan 8.270 nan 0.000 0.474 262 R N 0.266 120.754 120.500 -0.021 0.000 2.437 262 R HA 0.037 4.377 4.340 -0.001 0.000 0.257 262 R C 0.077 176.385 176.300 0.013 0.000 0.927 262 R CA 0.224 56.324 56.100 0.001 0.000 1.078 262 R CB 0.418 30.717 30.300 -0.002 0.000 1.161 262 R HN 0.622 nan 8.270 nan 0.000 0.529 263 D N 0.741 121.137 120.400 -0.007 0.000 2.845 263 D HA -0.008 4.631 4.640 -0.001 0.000 0.272 263 D C 0.590 176.983 176.300 0.155 0.000 1.275 263 D CA 0.535 54.560 54.000 0.042 0.000 1.029 263 D CB -0.063 40.734 40.800 -0.005 0.000 1.131 263 D HN 0.065 nan 8.370 nan 0.000 0.423 264 F N -0.537 119.409 119.950 -0.006 0.000 2.693 264 F HA 0.617 5.144 4.527 -0.001 0.000 0.309 264 F C -1.627 174.173 175.800 0.000 0.000 1.129 264 F CA -1.588 56.410 58.000 -0.002 0.000 0.948 264 F CB 1.400 40.388 39.000 -0.020 0.000 1.315 264 F HN 0.100 nan 8.300 nan 0.000 0.447 265 V N 0.491 120.556 119.914 0.252 0.000 3.007 265 V HA 0.954 5.074 4.120 -0.001 0.000 0.311 265 V C -1.449 174.826 176.094 0.302 0.000 1.120 265 V CA -0.713 61.690 62.300 0.173 0.000 0.980 265 V CB 1.379 33.270 31.823 0.114 0.000 1.033 265 V HN 1.343 nan 8.190 nan 0.000 0.429 266 Q N 1.546 121.471 119.800 0.208 0.000 2.462 266 Q HA 0.668 5.007 4.340 -0.001 0.000 0.285 266 Q C -1.393 174.655 176.000 0.080 0.000 1.035 266 Q CA -0.608 55.295 55.803 0.167 0.000 0.799 266 Q CB 2.061 30.899 28.738 0.166 0.000 1.452 266 Q HN 0.925 nan 8.270 nan 0.000 0.404 267 N N 0.088 118.860 118.700 0.121 0.000 2.371 267 N HA 0.352 5.091 4.740 -0.001 0.000 0.280 267 N C -1.435 174.147 175.510 0.120 0.000 1.084 267 N CA -0.348 52.769 53.050 0.111 0.000 0.892 267 N CB 2.079 40.674 38.487 0.181 0.000 1.653 267 N HN 0.607 nan 8.380 nan 0.000 0.480 268 S N 2.232 118.004 115.700 0.121 0.000 2.558 268 S HA 0.270 4.740 4.470 -0.001 0.000 0.238 268 S C 0.077 174.747 174.600 0.118 0.000 1.183 268 S CA -0.423 57.843 58.200 0.110 0.000 1.185 268 S CB -0.577 62.720 63.200 0.161 0.000 1.003 268 S HN 0.825 nan 8.310 nan 0.000 0.478 269 N N 1.011 119.790 118.700 0.132 0.000 2.948 269 N HA -0.137 4.602 4.740 -0.001 0.000 0.239 269 N C -0.689 174.906 175.510 0.143 0.000 0.954 269 N CA 0.991 54.130 53.050 0.148 0.000 0.941 269 N CB -0.778 37.794 38.487 0.143 0.000 1.101 269 N HN 0.455 nan 8.380 nan 0.000 0.579 270 D N 0.387 120.867 120.400 0.133 0.000 2.433 270 D HA 0.241 4.881 4.640 -0.001 0.000 0.255 270 D C 0.933 177.321 176.300 0.146 0.000 1.226 270 D CA 0.061 54.141 54.000 0.133 0.000 1.015 270 D CB 0.520 41.397 40.800 0.128 0.000 1.091 270 D HN 0.220 nan 8.370 nan 0.000 0.527 271 S N -0.851 114.941 115.700 0.153 0.000 2.606 271 S HA 0.218 4.687 4.470 -0.001 0.000 0.257 271 S C 1.219 175.906 174.600 0.145 0.000 1.327 271 S CA -0.053 58.240 58.200 0.156 0.000 0.984 271 S CB 0.875 64.167 63.200 0.152 0.000 0.941 271 S HN 0.515 nan 8.310 nan 0.000 0.576 272 A N 0.050 122.953 122.820 0.139 0.000 2.076 272 A HA -0.036 4.284 4.320 -0.001 0.000 0.220 272 A C 1.695 179.319 177.584 0.068 0.000 1.160 272 A CA 1.378 53.446 52.037 0.050 0.000 0.653 272 A CB -1.403 17.662 19.000 0.109 0.000 0.801 272 A HN 0.986 nan 8.150 nan 0.000 0.455 273 W N 0.492 121.783 121.300 -0.014 0.000 2.283 273 W HA -0.232 4.428 4.660 -0.001 0.000 0.335 273 W C 1.063 177.578 176.519 -0.008 0.000 1.313 273 W CA 2.162 59.521 57.345 0.024 0.000 1.263 273 W CB -0.710 28.782 29.460 0.054 0.000 1.141 273 W HN 0.222 nan 8.180 nan 0.000 0.468 274 L N 0.711 121.859 121.223 -0.125 0.000 2.984 274 L HA 0.113 4.452 4.340 -0.001 0.000 0.246 274 L C 1.748 178.509 176.870 -0.181 0.000 1.268 274 L CA 0.030 54.680 54.840 -0.317 0.000 1.054 274 L CB -0.475 41.302 42.059 -0.470 0.000 1.393 274 L HN -0.143 nan 8.230 nan 0.000 0.532 275 T N -0.082 114.344 114.554 -0.213 0.000 2.649 275 T HA -0.207 4.142 4.350 -0.001 0.000 0.268 275 T C 1.020 175.628 174.700 -0.152 0.000 1.036 275 T CA 1.598 63.532 62.100 -0.277 0.000 1.157 275 T CB -0.156 68.364 68.868 -0.580 0.000 0.861 275 T HN 0.283 nan 8.240 nan 0.000 0.445 276 N N 0.011 118.586 118.700 -0.207 0.000 2.480 276 N HA 0.245 4.984 4.740 -0.001 0.000 0.289 276 N C -2.678 172.704 175.510 -0.213 0.000 1.073 276 N CA -2.005 50.870 53.050 -0.292 0.000 0.885 276 N CB 2.224 40.373 38.487 -0.565 0.000 1.421 276 N HN -0.161 nan 8.380 nan 0.000 0.503 277 P HA -0.062 nan 4.420 nan 0.000 0.219 277 P C 0.891 178.117 177.300 -0.123 0.000 1.146 277 P CA 1.066 64.071 63.100 -0.157 0.000 0.808 277 P CB 0.318 31.954 31.700 -0.107 0.000 0.779 278 A N -1.477 121.267 122.820 -0.127 0.000 2.070 278 A HA -0.048 4.271 4.320 -0.001 0.000 0.220 278 A C 1.609 179.144 177.584 -0.081 0.000 1.159 278 A CA 1.367 53.345 52.037 -0.099 0.000 0.656 278 A CB -0.646 18.283 19.000 -0.119 0.000 0.800 278 A HN 0.194 nan 8.150 nan 0.000 0.453 279 S N 0.368 116.012 115.700 -0.094 0.000 2.204 279 S HA 0.464 4.933 4.470 -0.001 0.000 0.147 279 S C -3.033 171.561 174.600 -0.011 0.000 1.711 279 S CA -1.435 56.738 58.200 -0.045 0.000 1.274 279 S CB 0.277 63.445 63.200 -0.053 0.000 1.257 279 S HN 0.088 nan 8.310 nan 0.000 0.404 280 P HA 0.200 nan 4.420 nan 0.000 0.268 280 P C -0.944 176.489 177.300 0.222 0.000 1.205 280 P CA -0.191 62.965 63.100 0.093 0.000 0.771 280 P CB 0.469 32.267 31.700 0.163 0.000 0.858 281 L N 3.797 125.210 121.223 0.317 0.000 2.265 281 L HA 0.379 4.719 4.340 -0.001 0.000 0.289 281 L C 0.613 177.788 176.870 0.509 0.000 1.033 281 L CA 0.015 55.098 54.840 0.404 0.000 0.814 281 L CB 0.429 42.683 42.059 0.324 0.000 1.203 281 L HN 0.376 nan 8.230 nan 0.000 0.423 282 Q N 1.384 121.432 119.800 0.414 0.000 2.553 282 Q HA 0.553 4.892 4.340 -0.001 0.000 0.293 282 Q C 0.384 176.371 176.000 -0.021 0.000 1.038 282 Q CA -0.561 55.377 55.803 0.225 0.000 0.777 282 Q CB 2.242 31.058 28.738 0.129 0.000 1.487 282 Q HN 0.712 nan 8.270 nan 0.000 0.426 283 G N 0.212 108.970 108.800 -0.071 0.000 2.147 283 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.244 283 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.244 283 G C -0.569 174.131 174.900 -0.333 0.000 1.005 283 G CA -0.007 44.968 45.100 -0.208 0.000 0.713 283 G HN 0.297 nan 8.290 nan 0.000 0.515 284 F N 0.705 120.656 119.950 0.002 0.000 2.380 284 F HA 0.708 5.235 4.527 -0.001 0.000 0.321 284 F C 1.275 177.070 175.800 -0.009 0.000 1.103 284 F CA -0.137 57.868 58.000 0.008 0.000 1.067 284 F CB 1.297 40.311 39.000 0.024 0.000 1.265 284 F HN 0.082 nan 8.300 nan 0.000 0.517 285 S N 2.712 118.533 115.700 0.201 0.000 2.558 285 S HA 0.033 4.503 4.470 -0.001 0.000 0.291 285 S C -1.369 173.262 174.600 0.053 0.000 1.306 285 S CA -1.098 57.157 58.200 0.091 0.000 1.056 285 S CB 0.534 63.783 63.200 0.083 0.000 0.836 285 S HN 0.361 nan 8.310 nan 0.000 0.504 286 P HA -0.110 nan 4.420 nan 0.000 0.218 286 P C 1.206 178.471 177.300 -0.059 0.000 1.146 286 P CA 1.205 64.287 63.100 -0.030 0.000 0.813 286 P CB -0.065 31.605 31.700 -0.049 0.000 0.778 287 L N -1.858 119.316 121.223 -0.081 0.000 2.376 287 L HA -0.056 4.284 4.340 -0.001 0.000 0.219 287 L C 2.312 179.106 176.870 -0.128 0.000 1.133 287 L CA 0.666 55.420 54.840 -0.142 0.000 0.816 287 L CB -0.424 41.522 42.059 -0.187 0.000 0.933 287 L HN -0.132 nan 8.230 nan 0.000 0.449 288 V N -2.660 117.223 119.914 -0.053 0.000 2.599 288 V HA 0.128 4.248 4.120 -0.001 0.000 0.237 288 V C 0.704 176.778 176.094 -0.032 0.000 1.081 288 V CA 0.555 62.831 62.300 -0.041 0.000 1.107 288 V CB 0.852 32.689 31.823 0.024 0.000 0.808 288 V HN 0.289 nan 8.190 nan 0.000 0.486 289 S N -0.775 114.935 115.700 0.016 0.000 2.563 289 S HA 0.538 5.008 4.470 -0.001 0.000 0.279 289 S C -1.456 173.174 174.600 0.049 0.000 1.155 289 S CA -0.595 57.623 58.200 0.030 0.000 0.928 289 S CB 1.578 64.768 63.200 -0.015 0.000 1.107 289 S HN 0.398 nan 8.310 nan 0.000 0.462 290 Q N 1.728 121.535 119.800 0.012 0.000 2.433 290 Q HA 0.418 4.758 4.340 -0.001 0.000 0.279 290 Q C -0.980 174.934 176.000 -0.143 0.000 1.105 290 Q CA -0.902 54.863 55.803 -0.063 0.000 0.815 290 Q CB 2.030 30.730 28.738 -0.064 0.000 1.403 290 Q HN 0.653 nan 8.270 nan 0.000 0.435 291 E N 1.522 121.486 120.200 -0.394 0.000 2.110 291 E HA 0.086 4.435 4.350 -0.001 0.000 0.300 291 E C -0.743 175.561 176.600 -0.494 0.000 1.278 291 E CA -0.064 55.784 56.400 -0.920 0.000 1.365 291 E CB 0.264 28.983 29.700 -1.635 0.000 1.283 291 E HN 0.113 nan 8.360 nan 0.000 0.490 292 K N 2.239 122.586 120.400 -0.089 0.000 2.118 292 K HA 0.283 4.603 4.320 -0.001 0.000 0.267 292 K C -2.445 174.200 176.600 0.075 0.000 0.991 292 K CA -2.339 53.928 56.287 -0.033 0.000 0.916 292 K CB 0.754 33.249 32.500 -0.009 0.000 1.041 292 K HN -0.051 nan 8.250 nan 0.000 0.455 293 P HA -0.072 nan 4.420 nan 0.000 0.262 293 P C -0.441 176.839 177.300 -0.033 0.000 1.182 293 P CA 0.172 63.037 63.100 -0.392 0.000 0.761 293 P CB 0.113 31.245 31.700 -0.946 0.000 0.795 294 I N -0.144 120.480 120.570 0.089 0.000 2.779 294 I HA 0.459 4.628 4.170 -0.001 0.000 0.285 294 I C 0.838 177.017 176.117 0.104 0.000 1.134 294 I CA -0.548 60.816 61.300 0.106 0.000 1.398 294 I CB 0.317 38.376 38.000 0.098 0.000 1.404 294 I HN 0.249 nan 8.210 nan 0.000 0.587 295 G N 3.023 111.895 108.800 0.119 0.000 2.599 295 G HA2 0.379 4.338 3.960 -0.001 0.000 0.264 295 G HA3 0.379 4.338 3.960 -0.001 0.000 0.264 295 G C -1.522 173.498 174.900 0.200 0.000 1.200 295 G CA -1.129 44.058 45.100 0.143 0.000 0.896 295 G HN 0.657 nan 8.290 nan 0.000 0.536 296 P HA -0.082 nan 4.420 nan 0.000 0.220 296 P C 1.571 179.081 177.300 0.350 0.000 1.148 296 P CA 0.777 64.117 63.100 0.400 0.000 0.803 296 P CB 0.286 32.257 31.700 0.451 0.000 0.782 297 R N 0.103 120.775 120.500 0.286 0.000 2.073 297 R HA -0.041 4.298 4.340 -0.001 0.000 0.234 297 R C 2.512 179.009 176.300 0.328 0.000 1.134 297 R CA 1.644 57.956 56.100 0.353 0.000 0.952 297 R CB -0.968 29.528 30.300 0.327 0.000 0.850 297 R HN 0.139 nan 8.270 nan 0.000 0.433 298 A N 0.918 123.870 122.820 0.219 0.000 1.930 298 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 298 A C 2.121 179.720 177.584 0.024 0.000 1.175 298 A CA 1.206 53.326 52.037 0.138 0.000 0.627 298 A CB -0.416 18.650 19.000 0.110 0.000 0.815 298 A HN 0.211 nan 8.150 nan 0.000 0.443 299 R N -1.877 118.650 120.500 0.045 0.000 2.081 299 R HA -0.201 4.139 4.340 -0.001 0.000 0.235 299 R C 2.081 178.150 176.300 -0.385 0.000 1.131 299 R CA 1.969 58.062 56.100 -0.012 0.000 0.960 299 R CB -0.517 29.929 30.300 0.243 0.000 0.856 299 R HN 0.640 nan 8.270 nan 0.000 0.436 300 Y N 0.545 120.353 120.300 -0.821 0.000 2.128 300 Y HA -0.214 4.336 4.550 -0.001 0.000 0.284 300 Y C 2.053 177.553 175.900 -0.666 0.000 1.154 300 Y CA 1.650 59.005 58.100 -1.242 0.000 1.149 300 Y CB -0.618 37.316 38.460 -0.878 0.000 0.976 300 Y HN 0.162 nan 8.280 nan 0.000 0.505 301 A N 0.661 123.140 122.820 -0.569 0.000 1.883 301 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 301 A C 2.329 179.583 177.584 -0.550 0.000 1.186 301 A CA 2.029 53.684 52.037 -0.638 0.000 0.624 301 A CB -1.293 17.558 19.000 -0.248 0.000 0.822 301 A HN 0.580 nan 8.150 nan 0.000 0.444 302 L N 0.555 121.562 121.223 -0.360 0.000 2.127 302 L HA -0.193 4.146 4.340 -0.001 0.000 0.211 302 L C 2.942 179.624 176.870 -0.313 0.000 1.089 302 L CA 1.546 56.218 54.840 -0.279 0.000 0.757 302 L CB -0.484 41.502 42.059 -0.123 0.000 0.899 302 L HN 0.646 nan 8.230 nan 0.000 0.434 303 S N -0.545 114.925 115.700 -0.383 0.000 2.447 303 S HA -0.089 4.380 4.470 -0.001 0.000 0.233 303 S C 2.017 176.395 174.600 -0.371 0.000 1.006 303 S CA 0.376 58.389 58.200 -0.312 0.000 0.957 303 S CB -0.096 62.952 63.200 -0.254 0.000 0.773 303 S HN 0.352 nan 8.310 nan 0.000 0.507 304 R N 0.766 120.939 120.500 -0.545 0.000 2.189 304 R HA 0.403 4.742 4.340 -0.001 0.000 0.203 304 R C 2.106 178.154 176.300 -0.421 0.000 1.012 304 R CA 0.426 56.229 56.100 -0.496 0.000 1.015 304 R CB -0.945 28.963 30.300 -0.653 0.000 0.938 304 R HN 0.438 nan 8.270 nan 0.000 0.472 305 L N 0.862 121.782 121.223 -0.506 0.000 2.202 305 L HA 0.044 4.383 4.340 -0.001 0.000 0.205 305 L C 0.848 177.442 176.870 -0.459 0.000 1.083 305 L CA 0.453 54.909 54.840 -0.640 0.000 0.790 305 L CB -0.237 41.127 42.059 -1.160 0.000 0.942 305 L HN 0.017 nan 8.230 nan 0.000 0.452 306 Q N 1.060 120.695 119.800 -0.276 0.000 2.349 306 Q HA 0.330 4.670 4.340 -0.001 0.000 0.287 306 Q C 0.438 176.407 176.000 -0.051 0.000 1.044 306 Q CA 1.130 56.905 55.803 -0.046 0.000 0.918 306 Q CB 0.872 29.596 28.738 -0.023 0.000 1.242 306 Q HN 0.366 nan 8.270 nan 0.000 0.405 307 G N 1.507 110.313 108.800 0.010 0.000 2.316 307 G HA2 -0.106 3.854 3.960 -0.001 0.000 0.349 307 G HA3 -0.106 3.854 3.960 -0.001 0.000 0.349 307 G C -0.318 174.586 174.900 0.006 0.000 1.274 307 G CA -0.622 44.472 45.100 -0.010 0.000 1.018 307 G HN 0.390 nan 8.290 nan 0.000 0.486 308 K N -0.063 120.331 120.400 -0.010 0.000 2.355 308 K HA 0.214 4.534 4.320 -0.001 0.000 0.198 308 K C 0.824 177.416 176.600 -0.013 0.000 1.039 308 K CA 0.223 56.508 56.287 -0.004 0.000 1.075 308 K CB 0.367 32.862 32.500 -0.007 0.000 0.870 308 K HN 0.454 nan 8.250 nan 0.000 0.540 309 Q N 2.017 121.800 119.800 -0.029 0.000 2.332 309 Q HA 0.181 4.521 4.340 -0.001 0.000 0.263 309 Q C -2.186 173.793 176.000 -0.036 0.000 0.979 309 Q CA -1.989 53.791 55.803 -0.037 0.000 0.885 309 Q CB 0.147 28.853 28.738 -0.053 0.000 1.218 309 Q HN 0.073 nan 8.270 nan 0.000 0.405 310 P HA 0.090 nan 4.420 nan 0.000 0.269 310 P C -0.563 176.712 177.300 -0.042 0.000 1.215 310 P CA 0.036 63.121 63.100 -0.025 0.000 0.780 310 P CB 0.605 32.293 31.700 -0.020 0.000 0.898 311 L N 1.990 123.191 121.223 -0.038 0.000 2.296 311 L HA 0.364 4.703 4.340 -0.001 0.000 0.286 311 L C 0.957 177.800 176.870 -0.044 0.000 1.023 311 L CA -0.458 54.348 54.840 -0.057 0.000 0.812 311 L CB 1.047 43.066 42.059 -0.068 0.000 1.223 311 L HN 0.299 nan 8.230 nan 0.000 0.421 312 E N 1.055 121.221 120.200 -0.056 0.000 2.283 312 E HA 0.363 4.713 4.350 -0.001 0.000 0.267 312 E C 0.623 177.189 176.600 -0.057 0.000 1.045 312 E CA -0.201 56.168 56.400 -0.052 0.000 0.884 312 E CB 1.790 31.456 29.700 -0.058 0.000 1.106 312 E HN 0.714 nan 8.360 nan 0.000 0.408 313 A N 2.654 125.442 122.820 -0.054 0.000 1.903 313 A HA -0.298 4.022 4.320 -0.001 0.000 0.219 313 A C 1.973 179.514 177.584 -0.070 0.000 1.191 313 A CA 2.147 54.150 52.037 -0.057 0.000 0.638 313 A CB -0.434 18.528 19.000 -0.063 0.000 0.823 313 A HN 0.682 nan 8.150 nan 0.000 0.451 314 K N -1.051 119.297 120.400 -0.087 0.000 2.074 314 K HA -0.179 4.140 4.320 -0.001 0.000 0.209 314 K C 2.033 178.562 176.600 -0.119 0.000 1.048 314 K CA 1.979 58.196 56.287 -0.117 0.000 0.926 314 K CB -0.380 32.056 32.500 -0.106 0.000 0.713 314 K HN 0.555 nan 8.250 nan 0.000 0.444 315 T N 1.900 116.394 114.554 -0.099 0.000 2.684 315 T HA -0.154 4.195 4.350 -0.001 0.000 0.267 315 T C 1.815 176.458 174.700 -0.094 0.000 1.036 315 T CA 1.525 63.562 62.100 -0.104 0.000 1.148 315 T CB -0.187 68.616 68.868 -0.108 0.000 0.863 315 T HN 0.181 nan 8.240 nan 0.000 0.436 316 L N 0.643 121.827 121.223 -0.066 0.000 2.093 316 L HA -0.044 4.295 4.340 -0.001 0.000 0.208 316 L C 2.841 179.734 176.870 0.038 0.000 1.085 316 L CA 1.392 56.226 54.840 -0.010 0.000 0.755 316 L CB -0.616 41.453 42.059 0.017 0.000 0.904 316 L HN 0.373 nan 8.230 nan 0.000 0.435 317 E N 0.944 121.114 120.200 -0.049 0.000 2.051 317 E HA -0.252 4.098 4.350 -0.001 0.000 0.192 317 E C 1.911 178.364 176.600 -0.246 0.000 0.991 317 E CA 1.464 57.717 56.400 -0.244 0.000 0.799 317 E CB 0.055 29.432 29.700 -0.538 0.000 0.748 317 E HN 0.497 nan 8.360 nan 0.000 0.449 318 E N -0.104 119.985 120.200 -0.186 0.000 2.268 318 E HA -0.152 4.198 4.350 -0.001 0.000 0.195 318 E C 2.099 178.687 176.600 -0.020 0.000 0.995 318 E CA 0.821 57.140 56.400 -0.135 0.000 0.836 318 E CB -0.063 29.558 29.700 -0.132 0.000 0.763 318 E HN 0.417 nan 8.360 nan 0.000 0.491 319 M N 0.182 119.799 119.600 0.028 0.000 2.202 319 M HA -0.165 4.315 4.480 -0.001 0.000 0.262 319 M C 2.173 178.640 176.300 0.277 0.000 1.063 319 M CA 1.113 56.491 55.300 0.130 0.000 1.097 319 M CB -0.016 32.584 32.600 -0.001 0.000 1.382 319 M HN 0.033 nan 8.290 nan 0.000 0.413 320 V N -0.508 119.590 119.914 0.308 0.000 2.331 320 V HA -0.162 3.957 4.120 -0.001 0.000 0.242 320 V C 2.490 178.716 176.094 0.220 0.000 1.034 320 V CA 2.162 64.692 62.300 0.385 0.000 1.027 320 V CB -1.179 30.974 31.823 0.549 0.000 0.667 320 V HN 0.573 nan 8.190 nan 0.000 0.457 321 T N -1.192 113.406 114.554 0.073 0.000 3.085 321 T HA 0.087 4.436 4.350 -0.001 0.000 0.263 321 T C 1.754 176.437 174.700 -0.029 0.000 1.127 321 T CA 1.008 63.096 62.100 -0.020 0.000 1.103 321 T CB -0.145 68.597 68.868 -0.210 0.000 0.921 321 T HN 0.398 nan 8.240 nan 0.000 0.510 322 A N 2.297 125.112 122.820 -0.009 0.000 2.015 322 A HA -0.006 4.313 4.320 -0.001 0.000 0.219 322 A C 1.341 178.917 177.584 -0.012 0.000 1.163 322 A CA 0.808 52.835 52.037 -0.017 0.000 0.646 322 A CB -0.676 18.323 19.000 -0.001 0.000 0.806 322 A HN 0.596 nan 8.150 nan 0.000 0.448 323 N N -0.459 118.245 118.700 0.008 0.000 2.710 323 N HA -0.218 4.521 4.740 -0.001 0.000 0.249 323 N C -0.170 175.279 175.510 -0.102 0.000 1.059 323 N CA 1.270 54.307 53.050 -0.021 0.000 0.720 323 N CB -1.828 36.651 38.487 -0.013 0.000 0.983 323 N HN 0.858 nan 8.380 nan 0.000 0.544 324 H N -0.240 118.703 119.070 -0.211 0.000 2.722 324 H HA 0.318 4.873 4.556 -0.001 0.000 0.328 324 H C -0.036 175.148 175.328 -0.240 0.000 1.067 324 H CA -0.025 55.868 56.048 -0.258 0.000 1.447 324 H CB 0.723 30.354 29.762 -0.219 0.000 1.469 324 H HN -0.038 nan 8.280 nan 0.000 0.544 325 V N 8.797 128.239 119.914 -0.788 0.000 2.267 325 V HA -0.060 4.059 4.120 -0.001 0.000 0.254 325 V C 1.086 176.900 176.094 -0.467 0.000 1.144 325 V CA 0.006 62.038 62.300 -0.447 0.000 0.992 325 V CB -1.143 30.500 31.823 -0.299 0.000 1.199 325 V HN 0.802 nan 8.190 nan 0.000 0.493 326 F N 3.191 122.968 119.950 -0.288 0.000 2.269 326 F HA -0.142 4.385 4.527 -0.001 0.000 0.301 326 F C 2.313 178.184 175.800 0.118 0.000 1.082 326 F CA 1.748 59.738 58.000 -0.017 0.000 1.360 326 F CB 0.168 39.271 39.000 0.173 0.000 1.041 326 F HN 0.450 nan 8.300 nan 0.000 0.512 327 S N 0.174 115.994 115.700 0.200 0.000 2.442 327 S HA -0.152 4.318 4.470 -0.001 0.000 0.236 327 S C 2.329 177.100 174.600 0.284 0.000 1.007 327 S CA 0.805 59.194 58.200 0.314 0.000 0.965 327 S CB -0.660 62.910 63.200 0.617 0.000 0.773 327 S HN 0.519 nan 8.310 nan 0.000 0.504 328 A N 1.916 124.725 122.820 -0.019 0.000 1.972 328 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 328 A C 1.694 179.183 177.584 -0.159 0.000 1.169 328 A CA 1.747 53.614 52.037 -0.283 0.000 0.635 328 A CB -0.643 17.916 19.000 -0.735 0.000 0.810 328 A HN 0.373 nan 8.150 nan 0.000 0.446 329 D N -0.564 119.692 120.400 -0.240 0.000 2.182 329 D HA -0.123 4.517 4.640 -0.001 0.000 0.201 329 D C 2.015 178.233 176.300 -0.136 0.000 0.986 329 D CA 1.506 55.368 54.000 -0.229 0.000 0.847 329 D CB -0.188 40.347 40.800 -0.441 0.000 0.942 329 D HN 0.542 nan 8.370 nan 0.000 0.467 330 Q N -0.858 118.900 119.800 -0.070 0.000 2.302 330 Q HA 0.116 4.456 4.340 -0.001 0.000 0.202 330 Q C 1.734 177.872 176.000 0.231 0.000 0.936 330 Q CA 0.395 56.264 55.803 0.109 0.000 0.886 330 Q CB 0.613 29.471 28.738 0.199 0.000 0.986 330 Q HN 0.162 nan 8.270 nan 0.000 0.487 331 V N -1.028 119.002 119.914 0.193 0.000 3.090 331 V HA 0.018 4.138 4.120 -0.001 0.000 0.237 331 V C 1.484 177.617 176.094 0.065 0.000 1.209 331 V CA 0.217 62.595 62.300 0.130 0.000 1.209 331 V CB -0.021 31.867 31.823 0.109 0.000 0.971 331 V HN 0.189 nan 8.190 nan 0.000 0.477 332 L N 1.463 122.738 121.223 0.088 0.000 2.083 332 L HA -0.018 4.322 4.340 -0.001 0.000 0.209 332 L C -0.345 176.510 176.870 -0.025 0.000 1.083 332 L CA 2.493 57.345 54.840 0.020 0.000 0.752 332 L CB -1.409 40.617 42.059 -0.055 0.000 0.899 332 L HN 0.238 nan 8.230 nan 0.000 0.433 333 P HA -0.138 nan 4.420 nan 0.000 0.215 333 P C 0.950 178.241 177.300 -0.016 0.000 1.157 333 P CA 1.637 64.725 63.100 -0.020 0.000 0.874 333 P CB -0.029 31.667 31.700 -0.008 0.000 0.790 334 D N -1.367 119.031 120.400 -0.003 0.000 2.183 334 D HA -0.081 4.558 4.640 -0.001 0.000 0.203 334 D C 1.854 178.129 176.300 -0.042 0.000 0.969 334 D CA 0.600 54.600 54.000 -0.001 0.000 0.842 334 D CB -0.800 40.023 40.800 0.038 0.000 0.957 334 D HN -0.012 nan 8.370 nan 0.000 0.484 335 L N 0.723 121.890 121.223 -0.093 0.000 2.012 335 L HA -0.121 4.219 4.340 -0.001 0.000 0.210 335 L C 2.131 178.922 176.870 -0.131 0.000 1.073 335 L CA 1.421 56.150 54.840 -0.185 0.000 0.748 335 L CB -0.592 41.272 42.059 -0.324 0.000 0.891 335 L HN 0.027 nan 8.230 nan 0.000 0.431 336 L N -1.042 120.129 121.223 -0.086 0.000 2.083 336 L HA -0.203 4.137 4.340 -0.001 0.000 0.209 336 L C 2.767 179.607 176.870 -0.050 0.000 1.083 336 L CA 1.193 55.994 54.840 -0.065 0.000 0.752 336 L CB -0.616 41.415 42.059 -0.046 0.000 0.899 336 L HN 0.308 nan 8.230 nan 0.000 0.433 337 R N 0.365 120.842 120.500 -0.038 0.000 2.081 337 R HA -0.184 4.156 4.340 -0.001 0.000 0.235 337 R C 2.341 178.625 176.300 -0.026 0.000 1.131 337 R CA 1.316 57.401 56.100 -0.024 0.000 0.960 337 R CB -0.290 30.005 30.300 -0.010 0.000 0.856 337 R HN 0.279 nan 8.270 nan 0.000 0.436 338 L N 1.036 122.239 121.223 -0.034 0.000 2.012 338 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 338 L C 2.221 179.066 176.870 -0.041 0.000 1.073 338 L CA 1.857 56.678 54.840 -0.032 0.000 0.748 338 L CB -1.242 40.792 42.059 -0.041 0.000 0.891 338 L HN 0.386 nan 8.230 nan 0.000 0.431 339 c N 0.338 118.901 118.600 -0.063 0.000 2.413 339 c HA -0.189 4.381 4.570 -0.001 0.000 0.277 339 c C 2.828 176.891 174.090 -0.045 0.000 1.228 339 c CA 0.975 57.266 56.329 -0.064 0.000 1.731 339 c CB -0.941 41.520 42.510 -0.082 0.000 2.042 339 c HN 0.502 nan 8.230 nan 0.000 0.468 340 R N 0.429 120.907 120.500 -0.037 0.000 2.152 340 R HA -0.103 4.237 4.340 -0.001 0.000 0.232 340 R C 1.313 177.600 176.300 -0.020 0.000 1.117 340 R CA 1.180 57.263 56.100 -0.027 0.000 0.981 340 R CB -0.374 29.912 30.300 -0.023 0.000 0.870 340 R HN 0.578 nan 8.270 nan 0.000 0.451 341 D N 0.036 120.425 120.400 -0.018 0.000 2.347 341 D HA -0.011 4.628 4.640 -0.001 0.000 0.215 341 D C 0.270 176.564 176.300 -0.011 0.000 0.976 341 D CA 0.794 54.787 54.000 -0.011 0.000 0.884 341 D CB 0.109 40.906 40.800 -0.006 0.000 0.915 341 D HN 0.186 nan 8.370 nan 0.000 0.526 342 N N 0.650 119.340 118.700 -0.017 0.000 2.571 342 N HA 0.082 4.822 4.740 -0.001 0.000 0.298 342 N C 0.628 176.125 175.510 -0.021 0.000 1.671 342 N CA -0.001 53.039 53.050 -0.016 0.000 0.900 342 N CB 1.039 39.516 38.487 -0.016 0.000 1.365 342 N HN 0.136 nan 8.380 nan 0.000 0.493 343 Q N -0.157 119.631 119.800 -0.020 0.000 2.297 343 Q HA 0.005 4.344 4.340 -0.001 0.000 0.204 343 Q C 1.943 177.933 176.000 -0.017 0.000 0.962 343 Q CA 0.944 56.734 55.803 -0.022 0.000 0.879 343 Q CB 0.125 28.852 28.738 -0.019 0.000 0.947 343 Q HN 0.373 nan 8.270 nan 0.000 0.462 344 G N 0.481 109.274 108.800 -0.013 0.000 2.598 344 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.215 344 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.215 344 G C 0.312 175.206 174.900 -0.010 0.000 1.131 344 G CA -0.063 45.031 45.100 -0.010 0.000 0.785 344 G HN 0.104 nan 8.290 nan 0.000 0.539 345 E N 0.948 121.140 120.200 -0.013 0.000 2.003 345 E HA 0.264 4.614 4.350 -0.001 0.000 0.279 345 E C 1.466 178.057 176.600 -0.015 0.000 1.132 345 E CA -0.238 56.156 56.400 -0.012 0.000 0.888 345 E CB 0.406 30.099 29.700 -0.011 0.000 1.056 345 E HN 0.207 nan 8.360 nan 0.000 0.399 346 K N 1.623 122.017 120.400 -0.010 0.000 2.063 346 K HA -0.172 4.148 4.320 -0.001 0.000 0.208 346 K C 1.681 178.275 176.600 -0.010 0.000 1.048 346 K CA 1.643 57.925 56.287 -0.010 0.000 0.928 346 K CB -0.144 32.354 32.500 -0.004 0.000 0.713 346 K HN 0.515 nan 8.250 nan 0.000 0.442 347 S N 0.606 116.303 115.700 -0.005 0.000 2.507 347 S HA -0.044 4.426 4.470 -0.001 0.000 0.235 347 S C 1.680 176.273 174.600 -0.011 0.000 0.988 347 S CA 0.651 58.851 58.200 0.000 0.000 0.944 347 S CB -0.020 63.185 63.200 0.008 0.000 0.762 347 S HN 0.062 nan 8.310 nan 0.000 0.526 348 L N 0.811 122.017 121.223 -0.028 0.000 2.554 348 L HA 0.518 4.858 4.340 -0.001 0.000 0.225 348 L C 2.545 179.360 176.870 -0.091 0.000 1.104 348 L CA 0.466 55.272 54.840 -0.056 0.000 0.866 348 L CB -1.065 40.965 42.059 -0.048 0.000 1.047 348 L HN 0.352 nan 8.230 nan 0.000 0.468 349 A N 0.057 122.836 122.820 -0.068 0.000 1.873 349 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 349 A C 2.477 179.996 177.584 -0.109 0.000 1.193 349 A CA 1.869 53.863 52.037 -0.072 0.000 0.629 349 A CB -0.387 18.588 19.000 -0.042 0.000 0.826 349 A HN 0.351 nan 8.150 nan 0.000 0.447 350 R N -0.792 119.641 120.500 -0.112 0.000 2.075 350 R HA -0.019 4.320 4.340 -0.001 0.000 0.232 350 R C 2.548 178.607 176.300 -0.401 0.000 1.126 350 R CA 1.126 57.140 56.100 -0.145 0.000 0.963 350 R CB -0.478 29.804 30.300 -0.030 0.000 0.858 350 R HN 0.526 nan 8.270 nan 0.000 0.435 351 A N 0.754 123.214 122.820 -0.600 0.000 1.858 351 A HA -0.202 4.118 4.320 -0.001 0.000 0.216 351 A C 2.415 179.660 177.584 -0.565 0.000 1.190 351 A CA 1.584 52.984 52.037 -1.061 0.000 0.617 351 A CB -0.954 17.671 19.000 -0.625 0.000 0.827 351 A HN 0.457 nan 8.150 nan 0.000 0.443 352 c N -1.070 117.342 118.600 -0.313 0.000 2.429 352 c HA 0.070 4.639 4.570 -0.001 0.000 0.277 352 c C 3.337 177.340 174.090 -0.145 0.000 1.262 352 c CA 0.715 56.929 56.329 -0.191 0.000 1.733 352 c CB -1.402 41.029 42.510 -0.132 0.000 2.010 352 c HN 0.702 nan 8.230 nan 0.000 0.483 353 A N 0.641 123.377 122.820 -0.140 0.000 1.883 353 A HA 0.005 4.325 4.320 -0.001 0.000 0.217 353 A C 2.375 179.919 177.584 -0.067 0.000 1.186 353 A CA 2.238 54.224 52.037 -0.084 0.000 0.624 353 A CB -0.973 17.987 19.000 -0.066 0.000 0.822 353 A HN 0.583 nan 8.150 nan 0.000 0.444 354 A N -0.489 122.256 122.820 -0.126 0.000 1.902 354 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 354 A C 2.167 179.757 177.584 0.010 0.000 1.181 354 A CA 1.496 53.504 52.037 -0.048 0.000 0.623 354 A CB -0.569 18.398 19.000 -0.055 0.000 0.818 354 A HN 0.470 nan 8.150 nan 0.000 0.443 355 L N -0.877 120.316 121.223 -0.049 0.000 2.093 355 L HA -0.128 4.211 4.340 -0.001 0.000 0.208 355 L C 3.016 179.956 176.870 0.117 0.000 1.085 355 L CA 0.956 55.837 54.840 0.068 0.000 0.755 355 L CB -0.441 41.616 42.059 -0.004 0.000 0.904 355 L HN 0.408 nan 8.230 nan 0.000 0.435 356 A N -0.600 122.239 122.820 0.032 0.000 1.969 356 A HA -0.200 4.119 4.320 -0.001 0.000 0.218 356 A C 2.140 179.750 177.584 0.044 0.000 1.169 356 A CA 1.310 53.360 52.037 0.021 0.000 0.635 356 A CB -0.294 18.700 19.000 -0.011 0.000 0.810 356 A HN 0.490 nan 8.150 nan 0.000 0.445 357 Q N -2.390 117.453 119.800 0.073 0.000 2.392 357 Q HA 0.009 4.348 4.340 -0.001 0.000 0.203 357 Q C 0.045 176.136 176.000 0.151 0.000 0.917 357 Q CA -0.413 55.439 55.803 0.082 0.000 0.939 357 Q CB 0.164 28.943 28.738 0.068 0.000 1.063 357 Q HN 0.740 nan 8.270 nan 0.000 0.516 358 W N 3.208 124.484 121.300 -0.039 0.000 2.216 358 W HA 0.022 4.682 4.660 -0.001 0.000 0.326 358 W C 0.270 176.744 176.519 -0.074 0.000 1.319 358 W CA -0.768 56.548 57.345 -0.048 0.000 1.213 358 W CB 0.688 30.112 29.460 -0.059 0.000 1.171 358 W HN 0.134 nan 8.180 nan 0.000 0.557 359 D N 4.094 124.356 120.400 -0.230 0.000 2.338 359 D HA -0.094 4.545 4.640 -0.001 0.000 0.239 359 D C 0.682 176.500 176.300 -0.804 0.000 1.095 359 D CA 0.101 53.867 54.000 -0.390 0.000 0.888 359 D CB -0.312 40.385 40.800 -0.171 0.000 0.899 359 D HN 0.666 nan 8.370 nan 0.000 0.525 360 R N -1.738 117.636 120.500 -1.877 0.000 3.863 360 R HA -0.112 4.228 4.340 -0.001 0.000 0.313 360 R C 0.626 176.154 176.300 -1.285 0.000 1.202 360 R CA 0.772 55.557 56.100 -2.193 0.000 0.852 360 R CB -1.977 27.646 30.300 -1.129 0.000 1.292 360 R HN 0.441 nan 8.270 nan 0.000 0.519 361 G N -1.441 106.856 108.800 -0.837 0.000 2.600 361 G HA2 0.703 4.662 3.960 -0.001 0.000 0.303 361 G HA3 0.703 4.662 3.960 -0.001 0.000 0.303 361 G C -0.255 174.400 174.900 -0.409 0.000 1.253 361 G CA -0.060 44.792 45.100 -0.415 0.000 0.974 361 G HN 0.183 nan 8.290 nan 0.000 0.483 362 A N 0.611 123.146 122.820 -0.473 0.000 2.793 362 A HA 0.376 4.695 4.320 -0.001 0.000 0.301 362 A C 0.603 178.209 177.584 0.037 0.000 1.172 362 A CA -0.617 51.087 52.037 -0.554 0.000 0.973 362 A CB -0.493 18.150 19.000 -0.595 0.000 1.164 362 A HN 0.504 nan 8.150 nan 0.000 0.542 363 N N 0.113 118.850 118.700 0.062 0.000 2.399 363 N HA 0.164 4.904 4.740 -0.001 0.000 0.250 363 N C 1.241 176.917 175.510 0.277 0.000 1.272 363 N CA -0.250 52.884 53.050 0.139 0.000 0.928 363 N CB 0.693 39.218 38.487 0.062 0.000 1.158 363 N HN 0.284 nan 8.380 nan 0.000 0.463 364 L N 0.276 121.616 121.223 0.195 0.000 2.043 364 L HA -0.197 4.143 4.340 -0.001 0.000 0.212 364 L C 0.910 177.886 176.870 0.177 0.000 1.075 364 L CA 1.443 56.386 54.840 0.172 0.000 0.752 364 L CB -0.269 41.840 42.059 0.084 0.000 0.891 364 L HN 0.423 nan 8.230 nan 0.000 0.432 365 D N -0.594 119.890 120.400 0.141 0.000 2.328 365 D HA 0.042 4.681 4.640 -0.001 0.000 0.221 365 D C 0.641 177.039 176.300 0.164 0.000 1.072 365 D CA 0.182 54.258 54.000 0.128 0.000 0.850 365 D CB 0.234 41.082 40.800 0.080 0.000 0.922 365 D HN 0.055 nan 8.370 nan 0.000 0.516 366 S N 0.459 116.291 115.700 0.220 0.000 2.549 366 S HA 0.350 4.819 4.470 -0.001 0.000 0.286 366 S C 0.942 175.723 174.600 0.301 0.000 1.314 366 S CA -0.410 57.951 58.200 0.268 0.000 1.062 366 S CB 1.153 64.518 63.200 0.275 0.000 0.865 366 S HN 0.257 nan 8.310 nan 0.000 0.498 367 G N 1.413 110.395 108.800 0.303 0.000 2.634 367 G HA2 0.232 4.191 3.960 -0.001 0.000 0.255 367 G HA3 0.232 4.191 3.960 -0.001 0.000 0.255 367 G C 1.084 176.063 174.900 0.132 0.000 1.205 367 G CA -0.141 45.087 45.100 0.214 0.000 0.884 367 G HN 0.824 nan 8.290 nan 0.000 0.549 368 S N -0.489 115.277 115.700 0.109 0.000 2.493 368 S HA -0.075 4.395 4.470 -0.001 0.000 0.243 368 S C 2.348 176.941 174.600 -0.010 0.000 0.991 368 S CA 1.232 59.468 58.200 0.062 0.000 0.957 368 S CB -0.496 62.764 63.200 0.101 0.000 0.756 368 S HN 0.985 nan 8.310 nan 0.000 0.521 369 G N 1.151 109.892 108.800 -0.099 0.000 2.503 369 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.221 369 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.221 369 G C 1.042 175.359 174.900 -0.971 0.000 1.131 369 G CA 0.968 45.863 45.100 -0.341 0.000 0.756 369 G HN 0.544 nan 8.290 nan 0.000 0.572 370 F N 1.486 120.496 119.950 -1.566 0.000 2.126 370 F HA -0.093 4.434 4.527 -0.001 0.000 0.299 370 F C 2.690 178.048 175.800 -0.737 0.000 1.096 370 F CA 1.102 58.262 58.000 -1.399 0.000 1.255 370 F CB -0.620 37.838 39.000 -0.902 0.000 0.997 370 F HN 0.039 nan 8.300 nan 0.000 0.479 371 V N -0.696 118.891 119.914 -0.546 0.000 2.307 371 V HA -0.321 3.799 4.120 -0.001 0.000 0.245 371 V C 2.212 178.058 176.094 -0.413 0.000 1.045 371 V CA 1.983 63.986 62.300 -0.494 0.000 1.024 371 V CB -1.131 30.514 31.823 -0.296 0.000 0.651 371 V HN 0.297 nan 8.190 nan 0.000 0.449 372 Y N -0.738 119.396 120.300 -0.276 0.000 2.128 372 Y HA -0.266 4.284 4.550 -0.001 0.000 0.284 372 Y C 2.293 178.092 175.900 -0.169 0.000 1.154 372 Y CA 2.194 60.183 58.100 -0.185 0.000 1.149 372 Y CB -0.744 37.628 38.460 -0.147 0.000 0.976 372 Y HN 0.261 nan 8.280 nan 0.000 0.505 373 F N 0.880 120.672 119.950 -0.263 0.000 2.134 373 F HA -0.266 4.261 4.527 -0.001 0.000 0.299 373 F C 2.219 177.855 175.800 -0.273 0.000 1.097 373 F CA 1.712 59.565 58.000 -0.245 0.000 1.264 373 F CB -0.508 38.247 39.000 -0.408 0.000 1.001 373 F HN 0.076 nan 8.300 nan 0.000 0.479 374 Q N -0.232 119.231 119.800 -0.562 0.000 2.061 374 Q HA -0.196 4.144 4.340 -0.001 0.000 0.204 374 Q C 2.243 178.005 176.000 -0.395 0.000 0.984 374 Q CA 1.532 56.825 55.803 -0.850 0.000 0.846 374 Q CB -0.237 27.917 28.738 -0.974 0.000 0.902 374 Q HN 0.305 nan 8.270 nan 0.000 0.421 375 R N -0.154 120.194 120.500 -0.252 0.000 2.115 375 R HA -0.071 4.269 4.340 -0.001 0.000 0.226 375 R C 2.005 178.266 176.300 -0.066 0.000 1.100 375 R CA 0.774 56.801 56.100 -0.122 0.000 0.980 375 R CB -0.659 29.579 30.300 -0.103 0.000 0.875 375 R HN 0.294 nan 8.270 nan 0.000 0.445 376 F N 1.390 121.225 119.950 -0.193 0.000 2.113 376 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 376 F C 2.146 177.846 175.800 -0.167 0.000 1.103 376 F CA 1.311 59.213 58.000 -0.163 0.000 1.248 376 F CB -0.083 38.805 39.000 -0.188 0.000 0.999 376 F HN -0.183 nan 8.300 nan 0.000 0.475 377 M N 0.334 119.763 119.600 -0.286 0.000 2.159 377 M HA -0.219 4.260 4.480 -0.001 0.000 0.263 377 M C 2.094 178.354 176.300 -0.066 0.000 1.063 377 M CA 1.560 56.728 55.300 -0.220 0.000 1.110 377 M CB -1.395 31.102 32.600 -0.171 0.000 1.374 377 M HN 0.343 nan 8.290 nan 0.000 0.411 378 Q N -0.712 119.065 119.800 -0.039 0.000 2.226 378 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 378 Q C 2.076 178.012 176.000 -0.108 0.000 0.975 378 Q CA 1.179 56.966 55.803 -0.026 0.000 0.866 378 Q CB -0.044 28.691 28.738 -0.006 0.000 0.915 378 Q HN 0.517 nan 8.270 nan 0.000 0.440 379 R N -0.988 119.396 120.500 -0.193 0.000 2.128 379 R HA 0.014 4.353 4.340 -0.001 0.000 0.211 379 R C 1.857 177.981 176.300 -0.292 0.000 1.067 379 R CA 0.414 56.381 56.100 -0.222 0.000 1.010 379 R CB -0.109 30.064 30.300 -0.210 0.000 0.922 379 R HN 0.141 nan 8.270 nan 0.000 0.457 380 F N 2.014 121.580 119.950 -0.639 0.000 2.161 380 F HA -0.165 4.361 4.527 -0.001 0.000 0.300 380 F C 2.186 177.764 175.800 -0.370 0.000 1.089 380 F CA 1.359 58.977 58.000 -0.637 0.000 1.282 380 F CB -0.301 38.198 39.000 -0.836 0.000 1.010 380 F HN -0.004 nan 8.300 nan 0.000 0.485 381 A N -0.232 122.474 122.820 -0.191 0.000 2.032 381 A HA -0.231 4.088 4.320 -0.001 0.000 0.221 381 A C 1.984 179.450 177.584 -0.197 0.000 1.165 381 A CA 2.031 53.980 52.037 -0.147 0.000 0.645 381 A CB -0.766 18.216 19.000 -0.030 0.000 0.807 381 A HN 0.605 nan 8.150 nan 0.000 0.453 382 E N -0.816 119.258 120.200 -0.212 0.000 2.479 382 E HA 0.216 4.566 4.350 -0.001 0.000 0.193 382 E C -0.326 176.153 176.600 -0.202 0.000 1.049 382 E CA -0.388 55.910 56.400 -0.169 0.000 0.870 382 E CB 0.074 29.696 29.700 -0.130 0.000 0.944 382 E HN 0.560 nan 8.360 nan 0.000 0.492 383 L N 1.827 122.860 121.223 -0.316 0.000 2.371 383 L HA 0.173 4.513 4.340 -0.001 0.000 0.272 383 L C 0.098 176.798 176.870 -0.282 0.000 1.124 383 L CA -0.494 54.161 54.840 -0.308 0.000 0.816 383 L CB 0.606 42.420 42.059 -0.408 0.000 1.129 383 L HN -0.104 nan 8.230 nan 0.000 0.448 384 D N 1.869 122.163 120.400 -0.177 0.000 2.249 384 D HA 0.270 4.909 4.640 -0.001 0.000 0.246 384 D C 0.868 177.106 176.300 -0.103 0.000 1.114 384 D CA 0.390 54.322 54.000 -0.114 0.000 0.854 384 D CB 1.673 42.436 40.800 -0.062 0.000 1.132 384 D HN 0.781 nan 8.370 nan 0.000 0.461 385 G N 2.110 110.875 108.800 -0.060 0.000 2.305 385 G HA2 -0.244 3.715 3.960 -0.001 0.000 0.287 385 G HA3 -0.244 3.715 3.960 -0.001 0.000 0.287 385 G C 0.899 175.782 174.900 -0.028 0.000 1.036 385 G CA 0.464 45.565 45.100 0.003 0.000 0.887 385 G HN 0.628 nan 8.290 nan 0.000 0.505 386 A N -1.225 121.488 122.820 -0.178 0.000 2.195 386 A HA 0.447 4.767 4.320 -0.001 0.000 0.210 386 A C 0.963 178.526 177.584 -0.035 0.000 1.165 386 A CA 0.115 52.030 52.037 -0.202 0.000 0.806 386 A CB -0.008 18.683 19.000 -0.515 0.000 0.847 386 A HN 0.590 nan 8.150 nan 0.000 0.482 387 W N 0.989 122.353 121.300 0.108 0.000 2.253 387 W HA 0.244 4.903 4.660 -0.001 0.000 0.322 387 W C 1.482 178.089 176.519 0.147 0.000 1.342 387 W CA -0.234 57.228 57.345 0.195 0.000 1.218 387 W CB 0.811 30.374 29.460 0.171 0.000 1.205 387 W HN 0.199 nan 8.180 nan 0.000 0.551 388 K N 1.698 122.354 120.400 0.426 0.000 2.026 388 K HA -0.149 4.171 4.320 -0.001 0.000 0.208 388 K C -0.256 176.477 176.600 0.223 0.000 1.048 388 K CA 1.303 57.746 56.287 0.262 0.000 0.929 388 K CB 0.116 32.746 32.500 0.217 0.000 0.713 388 K HN 0.497 nan 8.250 nan 0.000 0.439 389 E N 2.291 122.634 120.200 0.237 0.000 2.141 389 E HA 0.254 4.604 4.350 -0.001 0.000 0.259 389 E C -2.465 174.207 176.600 0.120 0.000 0.883 389 E CA -2.466 54.017 56.400 0.139 0.000 0.744 389 E CB 1.834 31.578 29.700 0.073 0.000 1.150 389 E HN 0.247 nan 8.360 nan 0.000 0.420 390 P HA -0.025 nan 4.420 nan 0.000 0.275 390 P C -0.168 177.143 177.300 0.019 0.000 1.266 390 P CA -0.561 62.603 63.100 0.107 0.000 0.793 390 P CB 0.571 32.378 31.700 0.179 0.000 1.074 391 F N 1.192 121.078 119.950 -0.106 0.000 2.623 391 F HA 0.039 4.565 4.527 -0.001 0.000 0.386 391 F C 0.262 176.066 175.800 0.006 0.000 1.068 391 F CA 0.723 58.686 58.000 -0.063 0.000 1.265 391 F CB -0.217 38.769 39.000 -0.024 0.000 1.026 391 F HN 0.130 nan 8.300 nan 0.000 0.568 392 D N 4.987 124.823 120.400 -0.940 0.000 2.505 392 D HA 0.410 5.049 4.640 -0.001 0.000 0.250 392 D C 0.502 176.196 176.300 -1.010 0.000 1.164 392 D CA 0.020 53.594 54.000 -0.709 0.000 0.870 392 D CB 1.729 42.338 40.800 -0.318 0.000 1.160 392 D HN 0.672 nan 8.370 nan 0.000 0.549 393 A N 3.911 126.303 122.820 -0.714 0.000 1.978 393 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 393 A C 1.758 179.319 177.584 -0.038 0.000 1.170 393 A CA 1.286 53.200 52.037 -0.205 0.000 0.636 393 A CB -0.263 18.798 19.000 0.101 0.000 0.810 393 A HN 0.627 nan 8.150 nan 0.000 0.448 394 Q N -0.461 119.282 119.800 -0.094 0.000 2.291 394 Q HA -0.055 4.285 4.340 -0.001 0.000 0.205 394 Q C 0.427 176.388 176.000 -0.064 0.000 0.970 394 Q CA 0.871 56.650 55.803 -0.041 0.000 0.876 394 Q CB -0.062 28.651 28.738 -0.041 0.000 0.935 394 Q HN 0.676 nan 8.270 nan 0.000 0.455 395 R N 1.021 121.438 120.500 -0.138 0.000 2.886 395 R HA 0.186 4.526 4.340 -0.001 0.000 0.306 395 R C -1.902 174.320 176.300 -0.129 0.000 1.300 395 R CA -1.105 54.927 56.100 -0.113 0.000 1.441 395 R CB 0.746 30.987 30.300 -0.098 0.000 1.328 395 R HN 0.016 nan 8.270 nan 0.000 0.629 396 P HA -0.079 nan 4.420 nan 0.000 0.234 396 P C 0.616 177.969 177.300 0.089 0.000 1.167 396 P CA 0.664 63.802 63.100 0.063 0.000 0.763 396 P CB 0.434 32.156 31.700 0.036 0.000 0.835 397 L N -0.422 120.808 121.223 0.012 0.000 2.556 397 L HA 0.176 4.516 4.340 -0.001 0.000 0.226 397 L C 1.459 178.372 176.870 0.072 0.000 1.089 397 L CA 1.469 56.329 54.840 0.033 0.000 0.864 397 L CB -0.534 41.519 42.059 -0.011 0.000 1.067 397 L HN -0.156 nan 8.230 nan 0.000 0.477 398 D N -1.242 119.182 120.400 0.040 0.000 2.469 398 D HA 0.157 4.797 4.640 -0.001 0.000 0.215 398 D C 0.338 176.645 176.300 0.012 0.000 1.154 398 D CA 0.408 54.431 54.000 0.039 0.000 0.832 398 D CB 1.009 41.819 40.800 0.016 0.000 1.008 398 D HN 0.268 nan 8.370 nan 0.000 0.506 399 T N -1.160 113.397 114.554 0.005 0.000 2.900 399 T HA 0.542 4.892 4.350 -0.001 0.000 0.295 399 T C -3.018 171.691 174.700 0.015 0.000 1.044 399 T CA -1.854 60.218 62.100 -0.047 0.000 0.995 399 T CB 3.026 71.829 68.868 -0.108 0.000 1.072 399 T HN -0.291 nan 8.240 nan 0.000 0.473 400 P HA 0.464 nan 4.420 nan 0.000 0.274 400 P C -1.074 175.948 177.300 -0.464 0.000 1.237 400 P CA -0.331 62.426 63.100 -0.572 0.000 0.793 400 P CB 0.775 31.526 31.700 -1.582 0.000 0.977 401 Q N 0.188 119.887 119.800 -0.168 0.000 2.320 401 Q HA 0.547 4.886 4.340 -0.001 0.000 0.272 401 Q C -0.737 175.462 176.000 0.332 0.000 1.023 401 Q CA 0.200 56.059 55.803 0.093 0.000 0.855 401 Q CB 1.366 30.134 28.738 0.049 0.000 1.367 401 Q HN 0.927 nan 8.270 nan 0.000 0.406 402 G N 2.295 111.339 108.800 0.407 0.000 2.787 402 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.685 402 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.685 402 G C -0.910 174.242 174.900 0.419 0.000 1.437 402 G CA -0.356 44.943 45.100 0.332 0.000 0.872 402 G HN 0.718 nan 8.290 nan 0.000 0.566 403 I N 0.885 121.609 120.570 0.256 0.000 2.377 403 I HA 0.540 4.709 4.170 -0.001 0.000 0.293 403 I C 1.096 177.328 176.117 0.192 0.000 0.987 403 I CA -0.534 60.912 61.300 0.244 0.000 1.185 403 I CB 1.961 40.063 38.000 0.170 0.000 1.341 403 I HN 0.923 nan 8.210 nan 0.000 0.455 404 A N 7.095 130.028 122.820 0.187 0.000 3.051 404 A HA 0.280 4.600 4.320 -0.001 0.000 0.257 404 A C 1.293 178.938 177.584 0.102 0.000 1.785 404 A CA -0.140 51.979 52.037 0.137 0.000 1.420 404 A CB -0.748 18.329 19.000 0.129 0.000 1.063 404 A HN 0.848 nan 8.150 nan 0.000 0.630 405 L N 0.014 121.294 121.223 0.094 0.000 2.191 405 L HA -0.176 4.164 4.340 -0.001 0.000 0.212 405 L C 2.068 178.972 176.870 0.056 0.000 1.103 405 L CA 1.310 56.193 54.840 0.071 0.000 0.769 405 L CB -0.424 41.671 42.059 0.059 0.000 0.908 405 L HN 0.693 nan 8.230 nan 0.000 0.438 406 D N 0.077 120.510 120.400 0.056 0.000 2.350 406 D HA -0.154 4.486 4.640 -0.001 0.000 0.216 406 D C 0.795 177.120 176.300 0.042 0.000 0.968 406 D CA 0.551 54.578 54.000 0.045 0.000 0.894 406 D CB -0.143 40.684 40.800 0.044 0.000 0.909 406 D HN 0.256 nan 8.370 nan 0.000 0.520 407 R N 0.817 121.346 120.500 0.048 0.000 2.198 407 R HA 0.247 4.587 4.340 -0.001 0.000 0.339 407 R C -1.807 174.514 176.300 0.036 0.000 1.020 407 R CA -1.645 54.479 56.100 0.040 0.000 0.864 407 R CB 1.367 31.693 30.300 0.044 0.000 1.105 407 R HN -0.038 nan 8.270 nan 0.000 0.463 408 P HA -0.281 nan 4.420 nan 0.000 0.216 408 P C 1.276 178.590 177.300 0.024 0.000 1.153 408 P CA 1.255 64.370 63.100 0.025 0.000 0.858 408 P CB 0.231 31.943 31.700 0.020 0.000 0.789 409 Q N -0.286 119.526 119.800 0.020 0.000 2.096 409 Q HA -0.117 4.222 4.340 -0.001 0.000 0.204 409 Q C 1.978 177.987 176.000 0.016 0.000 0.982 409 Q CA 1.786 57.598 55.803 0.014 0.000 0.850 409 Q CB -1.772 26.971 28.738 0.009 0.000 0.901 409 Q HN 0.136 nan 8.270 nan 0.000 0.422 410 V N 2.306 122.234 119.914 0.023 0.000 2.307 410 V HA -0.226 3.894 4.120 -0.001 0.000 0.245 410 V C 2.772 178.899 176.094 0.054 0.000 1.045 410 V CA 1.889 64.207 62.300 0.031 0.000 1.024 410 V CB -1.303 30.546 31.823 0.044 0.000 0.651 410 V HN 0.520 nan 8.190 nan 0.000 0.449 411 A N -0.042 122.810 122.820 0.054 0.000 1.917 411 A HA -0.273 4.046 4.320 -0.001 0.000 0.219 411 A C 2.399 180.015 177.584 0.053 0.000 1.182 411 A CA 2.747 54.819 52.037 0.058 0.000 0.633 411 A CB -1.096 17.930 19.000 0.044 0.000 0.819 411 A HN 0.520 nan 8.150 nan 0.000 0.448 412 T N -0.005 114.572 114.554 0.038 0.000 2.708 412 T HA -0.177 4.173 4.350 -0.001 0.000 0.266 412 T C 2.051 176.774 174.700 0.037 0.000 1.037 412 T CA 1.788 63.907 62.100 0.032 0.000 1.146 412 T CB -0.264 68.616 68.868 0.020 0.000 0.865 412 T HN 0.655 nan 8.240 nan 0.000 0.435 413 Q N 0.082 119.901 119.800 0.033 0.000 2.172 413 Q HA 0.014 4.354 4.340 -0.001 0.000 0.200 413 Q C 2.525 178.562 176.000 0.061 0.000 0.964 413 Q CA 0.759 56.576 55.803 0.023 0.000 0.855 413 Q CB -0.158 28.574 28.738 -0.011 0.000 0.918 413 Q HN 0.335 nan 8.270 nan 0.000 0.444 414 V N 0.872 120.855 119.914 0.115 0.000 2.379 414 V HA -0.232 3.888 4.120 -0.001 0.000 0.245 414 V C 2.320 178.566 176.094 0.254 0.000 1.044 414 V CA 1.768 64.214 62.300 0.244 0.000 1.036 414 V CB -0.494 31.506 31.823 0.294 0.000 0.664 414 V HN 0.298 nan 8.190 nan 0.000 0.453 415 R N -0.100 120.485 120.500 0.141 0.000 2.081 415 R HA -0.255 4.085 4.340 -0.001 0.000 0.235 415 R C 2.390 178.746 176.300 0.093 0.000 1.131 415 R CA 2.092 58.250 56.100 0.096 0.000 0.960 415 R CB -0.225 30.107 30.300 0.053 0.000 0.856 415 R HN 0.475 nan 8.270 nan 0.000 0.436 416 Q N 0.337 120.182 119.800 0.075 0.000 2.084 416 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 416 Q C 1.856 177.896 176.000 0.067 0.000 0.978 416 Q CA 2.232 58.067 55.803 0.054 0.000 0.844 416 Q CB -0.354 28.402 28.738 0.029 0.000 0.898 416 Q HN 0.445 nan 8.270 nan 0.000 0.426 417 A N 0.078 122.949 122.820 0.085 0.000 1.908 417 A HA -0.179 4.141 4.320 -0.001 0.000 0.218 417 A C 2.010 179.712 177.584 0.197 0.000 1.181 417 A CA 1.637 53.716 52.037 0.069 0.000 0.627 417 A CB -0.898 18.078 19.000 -0.040 0.000 0.818 417 A HN 0.476 nan 8.150 nan 0.000 0.445 418 L N -0.418 121.001 121.223 0.328 0.000 2.056 418 L HA 0.008 4.347 4.340 -0.001 0.000 0.207 418 L C 2.677 179.632 176.870 0.143 0.000 1.078 418 L CA 2.047 57.059 54.840 0.287 0.000 0.749 418 L CB -0.854 41.279 42.059 0.122 0.000 0.901 418 L HN 0.345 nan 8.230 nan 0.000 0.433 419 A N -0.632 122.246 122.820 0.097 0.000 1.883 419 A HA -0.231 4.089 4.320 -0.001 0.000 0.217 419 A C 1.999 179.621 177.584 0.064 0.000 1.186 419 A CA 2.025 54.099 52.037 0.063 0.000 0.624 419 A CB -0.833 18.193 19.000 0.043 0.000 0.822 419 A HN 0.538 nan 8.150 nan 0.000 0.444 420 D N -0.012 120.423 120.400 0.059 0.000 2.117 420 D HA -0.013 4.626 4.640 -0.001 0.000 0.198 420 D C 2.287 178.613 176.300 0.044 0.000 0.982 420 D CA 1.463 55.486 54.000 0.037 0.000 0.828 420 D CB -0.573 40.236 40.800 0.015 0.000 0.967 420 D HN 0.414 nan 8.370 nan 0.000 0.464 421 A N 1.432 124.296 122.820 0.074 0.000 1.883 421 A HA -0.135 4.185 4.320 -0.001 0.000 0.217 421 A C 2.363 180.016 177.584 0.115 0.000 1.186 421 A CA 2.609 54.696 52.037 0.083 0.000 0.624 421 A CB -0.888 18.204 19.000 0.153 0.000 0.822 421 A HN 0.244 nan 8.150 nan 0.000 0.444 422 A N -0.186 122.745 122.820 0.184 0.000 1.883 422 A HA 0.080 4.400 4.320 -0.001 0.000 0.217 422 A C 2.552 180.234 177.584 0.163 0.000 1.186 422 A CA 2.513 54.720 52.037 0.282 0.000 0.624 422 A CB -1.176 17.933 19.000 0.181 0.000 0.822 422 A HN 1.190 nan 8.150 nan 0.000 0.444 423 A N -0.674 122.197 122.820 0.085 0.000 1.908 423 A HA -0.216 4.104 4.320 -0.001 0.000 0.218 423 A C 2.084 179.674 177.584 0.011 0.000 1.181 423 A CA 1.865 53.928 52.037 0.043 0.000 0.627 423 A CB -0.557 18.459 19.000 0.027 0.000 0.818 423 A HN 0.671 nan 8.150 nan 0.000 0.445 424 E N -0.195 120.002 120.200 -0.004 0.000 2.072 424 E HA -0.123 4.226 4.350 -0.001 0.000 0.191 424 E C 1.946 178.500 176.600 -0.077 0.000 0.985 424 E CA 1.427 57.804 56.400 -0.038 0.000 0.801 424 E CB -0.090 29.585 29.700 -0.042 0.000 0.750 424 E HN 0.353 nan 8.360 nan 0.000 0.452 425 V N 1.125 120.966 119.914 -0.121 0.000 2.343 425 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 425 V C 1.971 177.963 176.094 -0.171 0.000 1.051 425 V CA 2.131 64.278 62.300 -0.255 0.000 1.036 425 V CB -0.416 31.023 31.823 -0.640 0.000 0.654 425 V HN 0.245 nan 8.190 nan 0.000 0.451 426 E N -0.433 119.727 120.200 -0.067 0.000 2.216 426 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 426 E C 2.208 178.797 176.600 -0.018 0.000 0.988 426 E CA 0.534 56.928 56.400 -0.011 0.000 0.834 426 E CB -0.080 29.654 29.700 0.057 0.000 0.772 426 E HN 0.453 nan 8.360 nan 0.000 0.479 427 K N 0.736 121.121 120.400 -0.025 0.000 2.283 427 K HA -0.018 4.302 4.320 -0.001 0.000 0.202 427 K C 0.649 177.229 176.600 -0.034 0.000 1.048 427 K CA 0.320 56.593 56.287 -0.024 0.000 0.948 427 K CB 0.176 32.662 32.500 -0.024 0.000 0.742 427 K HN -0.025 nan 8.250 nan 0.000 0.458 428 S N -1.019 114.651 115.700 -0.052 0.000 2.641 428 S HA 0.117 4.587 4.470 -0.001 0.000 0.251 428 S C 0.872 175.448 174.600 -0.041 0.000 1.332 428 S CA 0.010 58.177 58.200 -0.055 0.000 0.968 428 S CB 1.095 64.248 63.200 -0.079 0.000 0.987 428 S HN 0.435 nan 8.310 nan 0.000 0.587 429 G N 0.512 109.290 108.800 -0.038 0.000 4.222 429 G HA2 0.374 4.334 3.960 -0.001 0.000 0.301 429 G HA3 0.374 4.334 3.960 -0.001 0.000 0.301 429 G C 0.121 175.008 174.900 -0.021 0.000 1.171 429 G CA -0.461 44.624 45.100 -0.024 0.000 0.937 429 G HN 0.681 nan 8.290 nan 0.000 0.557 430 I N -0.102 120.449 120.570 -0.030 0.000 2.436 430 I HA 0.414 4.584 4.170 -0.001 0.000 0.289 430 I C -1.709 174.405 176.117 -0.005 0.000 1.083 430 I CA -1.935 59.352 61.300 -0.022 0.000 1.372 430 I CB 0.536 38.513 38.000 -0.038 0.000 1.408 430 I HN -0.137 nan 8.210 nan 0.000 0.516 431 P HA 0.083 nan 4.420 nan 0.000 0.270 431 P C -0.612 176.701 177.300 0.022 0.000 1.223 431 P CA -0.136 62.971 63.100 0.012 0.000 0.785 431 P CB 0.456 32.163 31.700 0.012 0.000 0.923 432 D N 0.205 120.620 120.400 0.025 0.000 2.488 432 D HA 0.175 4.814 4.640 -0.001 0.000 0.238 432 D C 1.538 177.860 176.300 0.037 0.000 1.138 432 D CA 1.639 55.659 54.000 0.033 0.000 0.873 432 D CB 0.019 40.837 40.800 0.029 0.000 1.183 432 D HN 0.718 nan 8.370 nan 0.000 0.458 433 G N 1.457 110.286 108.800 0.048 0.000 2.168 433 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.257 433 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.257 433 G C 0.503 175.438 174.900 0.057 0.000 0.997 433 G CA 0.382 45.514 45.100 0.052 0.000 0.708 433 G HN 0.830 nan 8.290 nan 0.000 0.520 434 A N 0.069 122.923 122.820 0.056 0.000 2.477 434 A HA 0.666 4.985 4.320 -0.001 0.000 0.246 434 A C 0.884 178.524 177.584 0.092 0.000 1.078 434 A CA 0.118 52.190 52.037 0.058 0.000 0.770 434 A CB 0.411 19.436 19.000 0.042 0.000 1.011 434 A HN 0.380 nan 8.150 nan 0.000 0.494 435 R N 1.118 121.680 120.500 0.103 0.000 2.674 435 R HA 0.154 4.493 4.340 -0.001 0.000 0.266 435 R C 1.307 177.739 176.300 0.219 0.000 1.016 435 R CA -0.937 55.261 56.100 0.163 0.000 1.062 435 R CB 0.317 30.702 30.300 0.142 0.000 1.142 435 R HN 1.049 nan 8.270 nan 0.000 0.517 436 W N 1.951 123.312 121.300 0.101 0.000 2.321 436 W HA -0.179 4.481 4.660 -0.001 0.000 0.306 436 W C 1.243 177.826 176.519 0.106 0.000 1.217 436 W CA 2.077 59.502 57.345 0.133 0.000 1.257 436 W CB -0.104 29.499 29.460 0.238 0.000 1.145 436 W HN 0.759 nan 8.180 nan 0.000 0.509 437 G N 0.146 108.973 108.800 0.044 0.000 2.471 437 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.219 437 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.219 437 G C 1.042 175.883 174.900 -0.098 0.000 1.125 437 G CA 1.045 46.095 45.100 -0.083 0.000 0.775 437 G HN 0.234 nan 8.290 nan 0.000 0.548 438 D N 0.178 120.549 120.400 -0.049 0.000 2.312 438 D HA 0.009 4.648 4.640 -0.001 0.000 0.211 438 D C 2.380 178.626 176.300 -0.091 0.000 0.964 438 D CA 0.478 54.451 54.000 -0.045 0.000 0.877 438 D CB 0.278 41.078 40.800 0.000 0.000 0.924 438 D HN 0.370 nan 8.370 nan 0.000 0.515 439 L N -0.471 120.643 121.223 -0.182 0.000 2.349 439 L HA 0.124 4.464 4.340 -0.001 0.000 0.200 439 L C 1.237 177.907 176.870 -0.332 0.000 1.064 439 L CA 0.057 54.761 54.840 -0.226 0.000 0.821 439 L CB 0.057 41.982 42.059 -0.225 0.000 1.027 439 L HN -0.186 nan 8.230 nan 0.000 0.476 440 Q N 1.972 121.401 119.800 -0.618 0.000 2.322 440 Q HA 0.461 4.801 4.340 -0.001 0.000 0.256 440 Q C -1.078 174.757 176.000 -0.274 0.000 0.960 440 Q CA -0.307 55.170 55.803 -0.543 0.000 0.934 440 Q CB 1.304 29.496 28.738 -0.910 0.000 1.200 440 Q HN 0.158 nan 8.270 nan 0.000 0.435 441 V N -0.040 119.789 119.914 -0.141 0.000 3.130 441 V HA 0.751 4.871 4.120 -0.001 0.000 0.310 441 V C -0.988 175.093 176.094 -0.022 0.000 1.158 441 V CA -0.949 61.306 62.300 -0.075 0.000 1.029 441 V CB 2.055 33.805 31.823 -0.122 0.000 1.057 441 V HN 0.589 nan 8.190 nan 0.000 0.436 442 S N 0.809 116.535 115.700 0.043 0.000 2.530 442 S HA 0.601 5.071 4.470 -0.001 0.000 0.322 442 S C -0.076 174.560 174.600 0.060 0.000 1.085 442 S CA -0.275 57.989 58.200 0.107 0.000 1.096 442 S CB 0.887 64.280 63.200 0.322 0.000 0.988 442 S HN 1.052 nan 8.310 nan 0.000 0.466 443 T N 5.811 120.391 114.554 0.043 0.000 2.901 443 T HA 0.361 4.711 4.350 -0.001 0.000 0.301 443 T C -0.208 174.530 174.700 0.063 0.000 1.012 443 T CA -0.283 61.833 62.100 0.026 0.000 1.135 443 T CB 0.178 69.069 68.868 0.038 0.000 0.936 443 T HN 0.425 nan 8.240 nan 0.000 0.539 444 R N 2.435 122.976 120.500 0.068 0.000 2.507 444 R HA 0.485 4.825 4.340 -0.001 0.000 0.298 444 R C 0.890 177.350 176.300 0.267 0.000 1.087 444 R CA -0.143 56.031 56.100 0.124 0.000 0.917 444 R CB 0.999 31.256 30.300 -0.071 0.000 1.173 444 R HN 0.992 nan 8.270 nan 0.000 0.472 445 G N 2.920 111.930 108.800 0.351 0.000 2.596 445 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.304 445 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.304 445 G C 0.504 175.468 174.900 0.107 0.000 1.189 445 G CA 0.175 45.385 45.100 0.183 0.000 0.986 445 G HN 0.520 nan 8.290 nan 0.000 0.548 446 Q N 1.325 121.169 119.800 0.074 0.000 2.425 446 Q HA 0.182 4.521 4.340 -0.001 0.000 0.204 446 Q C 0.829 176.848 176.000 0.030 0.000 0.933 446 Q CA 0.626 56.455 55.803 0.044 0.000 0.939 446 Q CB 0.487 29.244 28.738 0.032 0.000 1.044 446 Q HN 0.668 nan 8.270 nan 0.000 0.513 447 E N 1.110 121.337 120.200 0.045 0.000 2.254 447 E HA 0.440 4.790 4.350 -0.001 0.000 0.261 447 E C -0.245 176.354 176.600 -0.002 0.000 1.051 447 E CA -0.378 56.036 56.400 0.023 0.000 0.902 447 E CB 1.326 31.052 29.700 0.043 0.000 1.168 447 E HN 0.004 nan 8.360 nan 0.000 0.423 448 R N 0.374 120.859 120.500 -0.026 0.000 2.807 448 R HA 0.622 4.961 4.340 -0.001 0.000 0.276 448 R C -0.478 175.812 176.300 -0.015 0.000 0.979 448 R CA -0.653 55.416 56.100 -0.051 0.000 0.928 448 R CB 1.624 31.849 30.300 -0.125 0.000 1.191 448 R HN 0.361 nan 8.270 nan 0.000 0.471 449 I N 1.592 122.166 120.570 0.007 0.000 2.466 449 I HA 0.356 4.526 4.170 -0.001 0.000 0.289 449 I C -0.037 176.107 176.117 0.045 0.000 1.026 449 I CA -0.863 60.462 61.300 0.042 0.000 1.078 449 I CB 2.100 40.152 38.000 0.086 0.000 1.249 449 I HN 0.669 nan 8.210 nan 0.000 0.429 450 A N 7.731 130.567 122.820 0.027 0.000 2.520 450 A HA 0.487 4.807 4.320 -0.001 0.000 0.245 450 A C -0.314 177.308 177.584 0.063 0.000 1.072 450 A CA 0.193 52.233 52.037 0.006 0.000 0.761 450 A CB -0.027 18.969 19.000 -0.007 0.000 1.004 450 A HN 0.519 nan 8.150 nan 0.000 0.499 451 I N 4.929 125.529 120.570 0.048 0.000 2.389 451 I HA 0.348 4.518 4.170 -0.001 0.000 0.288 451 I C -2.300 173.904 176.117 0.145 0.000 0.999 451 I CA -2.471 58.929 61.300 0.168 0.000 1.129 451 I CB 1.508 39.647 38.000 0.232 0.000 1.288 451 I HN 0.441 nan 8.210 nan 0.000 0.444 452 P HA 0.483 nan 4.420 nan 0.000 0.276 452 P C 0.038 177.524 177.300 0.311 0.000 1.244 452 P CA 0.304 63.524 63.100 0.200 0.000 0.801 452 P CB 1.660 33.374 31.700 0.024 0.000 1.006 453 G N -0.451 108.583 108.800 0.390 0.000 2.541 453 G HA2 0.410 4.370 3.960 -0.001 0.000 0.686 453 G HA3 0.410 4.370 3.960 -0.001 0.000 0.686 453 G C -0.774 174.455 174.900 0.549 0.000 1.286 453 G CA -0.360 44.963 45.100 0.372 0.000 0.894 453 G HN 0.834 nan 8.290 nan 0.000 0.575 454 G N -1.155 107.903 108.800 0.430 0.000 2.600 454 G HA2 0.619 4.579 3.960 -0.001 0.000 0.293 454 G HA3 0.619 4.579 3.960 -0.001 0.000 0.293 454 G C -1.361 173.809 174.900 0.449 0.000 1.408 454 G CA 0.268 45.713 45.100 0.576 0.000 0.782 454 G HN 0.868 nan 8.290 nan 0.000 0.482 455 D N -0.145 120.581 120.400 0.544 0.000 2.455 455 D HA 0.198 4.837 4.640 -0.001 0.000 0.241 455 D C 1.703 178.155 176.300 0.253 0.000 1.138 455 D CA 0.747 54.959 54.000 0.353 0.000 0.877 455 D CB 1.445 42.414 40.800 0.281 0.000 1.187 455 D HN 0.433 nan 8.370 nan 0.000 0.451 456 G N 2.987 111.849 108.800 0.103 0.000 2.450 456 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.220 456 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.220 456 G C 1.172 176.059 174.900 -0.022 0.000 1.130 456 G CA 0.824 45.935 45.100 0.018 0.000 0.760 456 G HN 0.649 nan 8.290 nan 0.000 0.557 457 H N -0.703 118.316 119.070 -0.085 0.000 2.521 457 H HA 0.063 4.619 4.556 -0.001 0.000 0.286 457 H C 1.221 176.458 175.328 -0.152 0.000 1.034 457 H CA 0.794 56.733 56.048 -0.180 0.000 1.278 457 H CB -0.130 29.410 29.762 -0.370 0.000 1.386 457 H HN 0.447 nan 8.280 nan 0.000 0.567 458 F N -0.642 119.510 119.950 0.336 0.000 2.692 458 F HA 0.294 4.820 4.527 -0.001 0.000 0.303 458 F C 1.635 177.634 175.800 0.330 0.000 1.114 458 F CA 0.301 58.523 58.000 0.369 0.000 1.361 458 F CB -0.044 39.224 39.000 0.447 0.000 1.063 458 F HN 0.188 nan 8.300 nan 0.000 0.550 459 G N 0.701 109.732 108.800 0.384 0.000 2.176 459 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.252 459 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.252 459 G C -0.068 174.967 174.900 0.225 0.000 1.024 459 G CA 0.118 45.427 45.100 0.349 0.000 0.755 459 G HN 0.177 nan 8.290 nan 0.000 0.507 460 V N 0.595 120.633 119.914 0.206 0.000 2.427 460 V HA 0.259 4.379 4.120 -0.001 0.000 0.268 460 V C 1.479 177.670 176.094 0.162 0.000 1.046 460 V CA -0.350 62.015 62.300 0.109 0.000 0.970 460 V CB 0.874 32.779 31.823 0.137 0.000 1.001 460 V HN 0.302 nan 8.190 nan 0.000 0.476 461 Y N 4.104 124.378 120.300 -0.043 0.000 2.181 461 Y HA -0.147 4.402 4.550 -0.001 0.000 0.288 461 Y C 1.855 177.875 175.900 0.200 0.000 1.146 461 Y CA 1.730 59.890 58.100 0.100 0.000 1.164 461 Y CB -0.044 38.483 38.460 0.111 0.000 0.982 461 Y HN 0.716 nan 8.280 nan 0.000 0.515 462 N N 1.437 120.296 118.700 0.265 0.000 2.744 462 N HA 0.143 4.883 4.740 -0.001 0.000 0.290 462 N C -0.988 174.611 175.510 0.148 0.000 1.206 462 N CA 0.365 53.567 53.050 0.254 0.000 1.119 462 N CB -0.474 38.190 38.487 0.295 0.000 1.449 462 N HN 0.259 nan 8.380 nan 0.000 0.514 463 A N 3.578 126.332 122.820 -0.110 0.000 2.454 463 A HA 0.401 4.721 4.320 -0.001 0.000 0.260 463 A C -0.208 177.339 177.584 -0.061 0.000 1.106 463 A CA -0.129 51.774 52.037 -0.224 0.000 0.780 463 A CB 0.099 18.681 19.000 -0.696 0.000 1.044 463 A HN 0.540 nan 8.150 nan 0.000 0.498 464 I N 2.377 123.011 120.570 0.107 0.000 2.499 464 I HA 0.301 4.471 4.170 -0.001 0.000 0.288 464 I C -0.137 176.052 176.117 0.121 0.000 1.048 464 I CA -0.147 61.228 61.300 0.124 0.000 1.062 464 I CB 1.618 39.747 38.000 0.216 0.000 1.238 464 I HN 0.827 nan 8.210 nan 0.000 0.426 465 Q N 4.725 124.544 119.800 0.031 0.000 2.293 465 Q HA 0.645 4.985 4.340 -0.001 0.000 0.261 465 Q C -0.854 175.129 176.000 -0.028 0.000 0.960 465 Q CA -0.336 55.495 55.803 0.045 0.000 0.882 465 Q CB 1.895 30.661 28.738 0.046 0.000 1.275 465 Q HN 0.829 nan 8.270 nan 0.000 0.445 466 S N 1.409 117.121 115.700 0.020 0.000 2.627 466 S HA 0.796 5.265 4.470 -0.001 0.000 0.283 466 S C -0.581 174.010 174.600 -0.014 0.000 1.127 466 S CA -0.740 57.445 58.200 -0.026 0.000 0.863 466 S CB 1.562 64.746 63.200 -0.025 0.000 1.121 466 S HN 0.573 nan 8.310 nan 0.000 0.479 467 V N -1.125 118.763 119.914 -0.042 0.000 2.823 467 V HA 0.794 4.914 4.120 -0.001 0.000 0.312 467 V C -0.338 175.707 176.094 -0.083 0.000 1.072 467 V CA -1.265 61.005 62.300 -0.050 0.000 0.937 467 V CB 1.516 33.307 31.823 -0.052 0.000 1.013 467 V HN 1.036 nan 8.190 nan 0.000 0.430 468 R N 2.529 122.974 120.500 -0.091 0.000 2.449 468 R HA 0.446 4.786 4.340 -0.001 0.000 0.296 468 R C -0.333 175.856 176.300 -0.185 0.000 1.047 468 R CA 0.455 56.472 56.100 -0.139 0.000 1.018 468 R CB 0.296 30.532 30.300 -0.108 0.000 0.962 468 R HN 0.867 nan 8.270 nan 0.000 0.428 469 K N 3.731 123.931 120.400 -0.333 0.000 2.668 469 K HA 0.286 4.605 4.320 -0.001 0.000 0.246 469 K C 0.029 176.308 176.600 -0.534 0.000 0.976 469 K CA -0.073 55.992 56.287 -0.370 0.000 0.902 469 K CB 1.896 34.207 32.500 -0.316 0.000 1.172 469 K HN 0.876 nan 8.250 nan 0.000 0.452 470 G N 3.565 112.213 108.800 -0.254 0.000 2.629 470 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.313 470 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.313 470 G C 0.400 175.215 174.900 -0.142 0.000 1.217 470 G CA 0.892 45.901 45.100 -0.152 0.000 0.994 470 G HN 0.777 nan 8.290 nan 0.000 0.549 471 D N 1.349 121.726 120.400 -0.039 0.000 2.328 471 D HA 0.154 4.793 4.640 -0.001 0.000 0.221 471 D C 1.008 177.339 176.300 0.052 0.000 1.072 471 D CA 1.394 55.408 54.000 0.024 0.000 0.850 471 D CB -0.408 40.437 40.800 0.075 0.000 0.922 471 D HN 1.026 nan 8.370 nan 0.000 0.516 472 H N -1.728 117.308 119.070 -0.057 0.000 2.941 472 H HA 0.505 5.060 4.556 -0.001 0.000 0.344 472 H C -1.056 174.217 175.328 -0.091 0.000 1.235 472 H CA -1.272 54.727 56.048 -0.082 0.000 1.149 472 H CB 0.724 30.439 29.762 -0.079 0.000 1.885 472 H HN -0.164 nan 8.280 nan 0.000 0.558 473 L N 1.501 122.708 121.223 -0.027 0.000 2.265 473 L HA 0.237 4.576 4.340 -0.001 0.000 0.289 473 L C 0.017 176.895 176.870 0.013 0.000 1.033 473 L CA -0.580 54.213 54.840 -0.078 0.000 0.814 473 L CB 1.259 43.238 42.059 -0.134 0.000 1.203 473 L HN 0.581 nan 8.230 nan 0.000 0.423 474 E N 2.876 123.084 120.200 0.013 0.000 2.167 474 E HA 0.260 4.610 4.350 -0.001 0.000 0.284 474 E C -0.828 175.735 176.600 -0.061 0.000 1.016 474 E CA -0.535 55.898 56.400 0.056 0.000 0.817 474 E CB 1.415 31.163 29.700 0.079 0.000 1.080 474 E HN 0.254 nan 8.360 nan 0.000 0.397 475 V N 6.020 125.849 119.914 -0.141 0.000 2.529 475 V HA 0.004 4.124 4.120 -0.001 0.000 0.292 475 V C 1.190 177.088 176.094 -0.326 0.000 1.028 475 V CA 0.640 62.730 62.300 -0.350 0.000 1.074 475 V CB 0.790 32.185 31.823 -0.713 0.000 0.958 475 V HN 0.757 nan 8.190 nan 0.000 0.481 476 V N 1.901 121.640 119.914 -0.292 0.000 3.484 476 V HA 0.734 4.854 4.120 -0.001 0.000 0.252 476 V C 0.693 176.711 176.094 -0.127 0.000 1.282 476 V CA 0.847 63.058 62.300 -0.148 0.000 1.104 476 V CB 0.227 32.009 31.823 -0.068 0.000 0.868 476 V HN 0.951 nan 8.190 nan 0.000 0.457 477 G N -1.975 106.682 108.800 -0.239 0.000 2.608 477 G HA2 0.725 4.684 3.960 -0.001 0.000 0.291 477 G HA3 0.725 4.684 3.960 -0.001 0.000 0.291 477 G C -0.337 174.583 174.900 0.035 0.000 1.425 477 G CA 0.106 45.221 45.100 0.024 0.000 0.787 477 G HN 1.381 nan 8.290 nan 0.000 0.484 478 G N -1.420 107.606 108.800 0.376 0.000 2.250 478 G HA2 0.407 4.367 3.960 -0.001 0.000 0.252 478 G HA3 0.407 4.367 3.960 -0.001 0.000 0.252 478 G C -0.038 175.218 174.900 0.593 0.000 1.325 478 G CA 0.160 45.473 45.100 0.355 0.000 1.091 478 G HN 1.432 nan 8.290 nan 0.000 0.476 479 T N 1.289 116.134 114.554 0.485 0.000 2.867 479 T HA 0.396 4.745 4.350 -0.001 0.000 0.290 479 T C 1.268 176.126 174.700 0.264 0.000 1.025 479 T CA 1.650 63.997 62.100 0.412 0.000 1.146 479 T CB 0.285 69.385 68.868 0.387 0.000 1.024 479 T HN 1.641 nan 8.240 nan 0.000 0.519 480 S N 2.754 118.471 115.700 0.028 0.000 4.167 480 S HA 0.226 4.696 4.470 -0.001 0.000 0.168 480 S C -0.310 174.003 174.600 -0.479 0.000 1.032 480 S CA -0.697 57.396 58.200 -0.178 0.000 1.146 480 S CB 0.077 63.561 63.200 0.474 0.000 1.888 480 S HN 0.574 nan 8.310 nan 0.000 0.844 481 Y N 3.088 123.097 120.300 -0.485 0.000 2.393 481 Y HA 0.687 5.237 4.550 -0.001 0.000 0.338 481 Y C -0.730 174.859 175.900 -0.518 0.000 1.029 481 Y CA -1.579 56.170 58.100 -0.585 0.000 1.239 481 Y CB 0.094 38.107 38.460 -0.745 0.000 1.170 481 Y HN 0.373 nan 8.280 nan 0.000 0.515 482 I N 6.586 126.558 120.570 -0.997 0.000 2.404 482 I HA 0.351 4.521 4.170 -0.001 0.000 0.293 482 I C -0.710 174.666 176.117 -1.234 0.000 0.992 482 I CA -0.656 60.033 61.300 -1.019 0.000 1.149 482 I CB 1.735 39.099 38.000 -1.060 0.000 1.315 482 I HN 0.550 nan 8.210 nan 0.000 0.446 483 Q N 6.527 125.744 119.800 -0.971 0.000 2.263 483 Q HA 0.491 4.830 4.340 -0.001 0.000 0.266 483 Q C -2.118 173.622 176.000 -0.434 0.000 1.002 483 Q CA -0.803 54.558 55.803 -0.736 0.000 0.790 483 Q CB 2.439 30.733 28.738 -0.739 0.000 1.272 483 Q HN 0.595 nan 8.270 nan 0.000 0.435 484 L N 5.110 126.138 121.223 -0.325 0.000 2.342 484 L HA 0.579 4.918 4.340 -0.001 0.000 0.276 484 L C -1.830 174.859 176.870 -0.302 0.000 0.997 484 L CA -0.494 54.232 54.840 -0.190 0.000 0.838 484 L CB 1.790 43.865 42.059 0.026 0.000 1.224 484 L HN 0.459 nan 8.230 nan 0.000 0.416 485 V N 3.871 123.570 119.914 -0.359 0.000 2.459 485 V HA 0.764 4.884 4.120 -0.001 0.000 0.295 485 V C 0.288 176.058 176.094 -0.541 0.000 1.029 485 V CA -0.187 61.770 62.300 -0.572 0.000 0.874 485 V CB 1.793 33.203 31.823 -0.689 0.000 0.985 485 V HN 0.887 nan 8.190 nan 0.000 0.438 486 T N 0.393 114.574 114.554 -0.622 0.000 2.926 486 T HA 0.773 5.122 4.350 -0.001 0.000 0.289 486 T C -0.882 173.354 174.700 -0.773 0.000 1.054 486 T CA -0.539 61.259 62.100 -0.503 0.000 1.015 486 T CB 1.852 70.590 68.868 -0.218 0.000 1.167 486 T HN 0.184 nan 8.240 nan 0.000 0.526 487 F N 1.887 121.811 119.950 -0.043 0.000 2.531 487 F HA 0.396 4.923 4.527 -0.001 0.000 0.333 487 F C -2.275 173.525 175.800 0.001 0.000 1.292 487 F CA -2.097 55.892 58.000 -0.017 0.000 1.184 487 F CB 0.968 39.979 39.000 0.018 0.000 1.426 487 F HN 0.345 nan 8.300 nan 0.000 0.559 488 P HA 0.061 nan 4.420 nan 0.000 0.274 488 P C 0.926 178.284 177.300 0.098 0.000 1.256 488 P CA -0.159 62.985 63.100 0.074 0.000 0.795 488 P CB 1.250 32.964 31.700 0.024 0.000 1.038 489 E N 0.392 120.639 120.200 0.078 0.000 2.114 489 E HA -0.269 4.080 4.350 -0.001 0.000 0.199 489 E C 1.194 177.844 176.600 0.084 0.000 1.008 489 E CA 1.757 58.205 56.400 0.081 0.000 0.810 489 E CB -0.018 29.717 29.700 0.058 0.000 0.739 489 E HN 0.417 nan 8.360 nan 0.000 0.456 490 E N -0.506 119.736 120.200 0.070 0.000 2.268 490 E HA 0.119 4.469 4.350 -0.001 0.000 0.195 490 E C 0.715 177.369 176.600 0.090 0.000 0.995 490 E CA 0.757 57.199 56.400 0.069 0.000 0.836 490 E CB 0.260 29.992 29.700 0.053 0.000 0.763 490 E HN 0.359 nan 8.360 nan 0.000 0.491 491 G N -0.155 108.708 108.800 0.106 0.000 2.347 491 G HA2 0.094 4.053 3.960 -0.001 0.000 0.321 491 G HA3 0.094 4.053 3.960 -0.001 0.000 0.321 491 G C -3.018 171.949 174.900 0.111 0.000 1.412 491 G CA -1.017 44.167 45.100 0.140 0.000 0.990 491 G HN -0.137 nan 8.290 nan 0.000 0.637 492 P HA 0.217 nan 4.420 nan 0.000 0.265 492 P C -0.709 176.450 177.300 -0.236 0.000 1.193 492 P CA 0.264 63.274 63.100 -0.150 0.000 0.765 492 P CB 0.988 32.578 31.700 -0.182 0.000 0.823 493 K N 2.344 122.520 120.400 -0.375 0.000 2.316 493 K HA 0.595 4.914 4.320 -0.001 0.000 0.267 493 K C -1.028 175.288 176.600 -0.473 0.000 1.025 493 K CA -0.702 55.401 56.287 -0.308 0.000 0.896 493 K CB 0.611 32.993 32.500 -0.197 0.000 1.124 493 K HN 0.482 nan 8.250 nan 0.000 0.451 494 A N 4.705 127.225 122.820 -0.499 0.000 2.318 494 A HA 0.562 4.882 4.320 -0.001 0.000 0.324 494 A C -0.947 176.462 177.584 -0.291 0.000 1.170 494 A CA -0.848 50.830 52.037 -0.599 0.000 0.810 494 A CB 0.953 19.318 19.000 -1.058 0.000 1.198 494 A HN 0.880 nan 8.150 nan 0.000 0.484 495 R N 1.798 122.155 120.500 -0.237 0.000 2.628 495 R HA 0.674 5.014 4.340 -0.001 0.000 0.288 495 R C 0.034 176.250 176.300 -0.140 0.000 0.980 495 R CA 0.394 56.443 56.100 -0.085 0.000 0.891 495 R CB 1.872 32.185 30.300 0.021 0.000 1.188 495 R HN 1.430 nan 8.270 nan 0.000 0.450 496 G N 2.393 111.099 108.800 -0.156 0.000 2.399 496 G HA2 0.316 4.276 3.960 -0.001 0.000 0.256 496 G HA3 0.316 4.276 3.960 -0.001 0.000 0.256 496 G C -2.007 172.652 174.900 -0.401 0.000 1.236 496 G CA -0.656 44.146 45.100 -0.497 0.000 0.914 496 G HN 0.500 nan 8.290 nan 0.000 0.482 497 L N -0.972 119.942 121.223 -0.515 0.000 2.869 497 L HA 0.537 4.877 4.340 -0.001 0.000 0.265 497 L C -1.713 174.940 176.870 -0.362 0.000 1.011 497 L CA -0.778 53.862 54.840 -0.333 0.000 0.913 497 L CB 2.410 44.306 42.059 -0.271 0.000 1.490 497 L HN 0.611 nan 8.230 nan 0.000 0.410 498 L N 1.535 122.572 121.223 -0.310 0.000 2.277 498 L HA 0.561 4.900 4.340 -0.001 0.000 0.284 498 L C 0.901 177.341 176.870 -0.716 0.000 1.028 498 L CA 0.260 54.806 54.840 -0.490 0.000 0.835 498 L CB 1.294 43.131 42.059 -0.371 0.000 1.215 498 L HN 0.752 nan 8.230 nan 0.000 0.425 499 A N 4.976 127.184 122.820 -1.019 0.000 1.917 499 A HA -0.218 4.102 4.320 -0.001 0.000 0.219 499 A C 1.428 178.406 177.584 -1.010 0.000 1.182 499 A CA 2.362 53.722 52.037 -1.129 0.000 0.633 499 A CB -0.879 17.122 19.000 -1.667 0.000 0.819 499 A HN 0.836 nan 8.150 nan 0.000 0.448 500 F N -1.599 117.781 119.950 -0.949 0.000 2.765 500 F HA 0.528 5.054 4.527 -0.001 0.000 0.302 500 F C 0.464 176.049 175.800 -0.357 0.000 1.111 500 F CA -0.590 56.925 58.000 -0.808 0.000 1.359 500 F CB -1.234 37.157 39.000 -1.014 0.000 1.097 500 F HN 0.033 nan 8.300 nan 0.000 0.577 501 S N 0.390 115.970 115.700 -0.201 0.000 3.661 501 S HA -0.199 4.271 4.470 -0.001 0.000 0.772 501 S C 0.701 175.369 174.600 0.114 0.000 1.194 501 S CA -0.064 58.117 58.200 -0.032 0.000 1.148 501 S CB -0.379 62.838 63.200 0.027 0.000 0.564 501 S HN 0.506 nan 8.310 nan 0.000 0.482 502 Q N 0.178 120.035 119.800 0.096 0.000 2.124 502 Q HA -0.025 4.315 4.340 -0.001 0.000 0.202 502 Q C 1.149 177.336 176.000 0.311 0.000 0.977 502 Q CA 1.660 57.546 55.803 0.139 0.000 0.850 502 Q CB -0.052 28.701 28.738 0.026 0.000 0.901 502 Q HN 0.661 nan 8.270 nan 0.000 0.429 503 S N -0.349 115.526 115.700 0.293 0.000 2.472 503 S HA 0.231 4.701 4.470 -0.001 0.000 0.303 503 S C 0.720 175.503 174.600 0.306 0.000 1.099 503 S CA -0.297 58.076 58.200 0.289 0.000 1.077 503 S CB 1.267 64.634 63.200 0.279 0.000 1.031 503 S HN 0.245 nan 8.310 nan 0.000 0.487 504 S N 2.514 118.350 115.700 0.228 0.000 2.593 504 S HA 0.121 4.591 4.470 -0.001 0.000 0.217 504 S C 0.233 174.956 174.600 0.205 0.000 0.966 504 S CA -0.172 58.164 58.200 0.227 0.000 0.914 504 S CB -0.122 63.138 63.200 0.100 0.000 0.776 504 S HN 0.730 nan 8.310 nan 0.000 0.523 505 D N 2.468 122.936 120.400 0.114 0.000 2.280 505 D HA 0.301 4.941 4.640 -0.001 0.000 0.243 505 D C -2.019 174.042 176.300 -0.398 0.000 1.129 505 D CA -2.141 51.809 54.000 -0.082 0.000 0.848 505 D CB 1.899 42.675 40.800 -0.040 0.000 1.107 505 D HN -0.038 nan 8.370 nan 0.000 0.471 506 P HA -0.075 nan 4.420 nan 0.000 0.220 506 P C 0.966 177.938 177.300 -0.546 0.000 1.144 506 P CA 0.908 63.224 63.100 -1.307 0.000 0.800 506 P CB 0.278 31.539 31.700 -0.730 0.000 0.772 507 R N -1.136 119.190 120.500 -0.289 0.000 2.276 507 R HA 0.103 4.443 4.340 -0.001 0.000 0.203 507 R C 1.088 177.338 176.300 -0.083 0.000 1.017 507 R CA 0.188 56.203 56.100 -0.141 0.000 1.010 507 R CB -0.223 30.020 30.300 -0.095 0.000 0.900 507 R HN 0.122 nan 8.270 nan 0.000 0.469 508 S N 0.916 116.578 115.700 -0.063 0.000 2.565 508 S HA 0.162 4.632 4.470 -0.001 0.000 0.274 508 S C -1.769 172.814 174.600 -0.028 0.000 1.309 508 S CA -1.683 56.516 58.200 -0.002 0.000 1.043 508 S CB 1.143 64.397 63.200 0.090 0.000 0.939 508 S HN -0.109 nan 8.310 nan 0.000 0.504 509 P HA -0.039 nan 4.420 nan 0.000 0.226 509 P C -0.016 177.033 177.300 -0.419 0.000 1.146 509 P CA 1.075 63.974 63.100 -0.336 0.000 0.773 509 P CB -0.015 31.355 31.700 -0.551 0.000 0.772 510 H N -3.243 115.901 119.070 0.123 0.000 2.467 510 H HA 0.176 4.732 4.556 -0.001 0.000 0.275 510 H C 0.626 176.059 175.328 0.175 0.000 1.131 510 H CA -0.469 55.651 56.048 0.119 0.000 0.989 510 H CB -0.246 29.571 29.762 0.092 0.000 1.696 510 H HN 0.176 nan 8.280 nan 0.000 0.574 511 Y N 2.619 122.976 120.300 0.095 0.000 2.365 511 Y HA -0.048 4.501 4.550 -0.001 0.000 0.293 511 Y C 1.768 177.725 175.900 0.095 0.000 1.119 511 Y CA 1.128 59.283 58.100 0.091 0.000 1.203 511 Y CB 0.568 39.062 38.460 0.058 0.000 1.026 511 Y HN 0.184 nan 8.280 nan 0.000 0.549 512 R N -1.345 119.159 120.500 0.007 0.000 2.526 512 R HA 0.154 4.494 4.340 -0.001 0.000 0.346 512 R C 0.800 177.111 176.300 0.017 0.000 0.926 512 R CA 0.640 56.689 56.100 -0.085 0.000 1.147 512 R CB -0.621 29.605 30.300 -0.124 0.000 1.629 512 R HN 0.189 nan 8.270 nan 0.000 0.516 513 D N 1.966 122.407 120.400 0.068 0.000 2.117 513 D HA -0.235 4.404 4.640 -0.001 0.000 0.197 513 D C 1.489 177.828 176.300 0.064 0.000 0.987 513 D CA 1.329 55.377 54.000 0.081 0.000 0.829 513 D CB -0.205 40.672 40.800 0.128 0.000 0.961 513 D HN 0.424 nan 8.370 nan 0.000 0.460 514 Q N -0.431 119.393 119.800 0.039 0.000 2.389 514 Q HA 0.037 4.377 4.340 -0.001 0.000 0.204 514 Q C 1.788 177.811 176.000 0.039 0.000 0.944 514 Q CA 1.057 56.869 55.803 0.015 0.000 0.908 514 Q CB 0.086 28.788 28.738 -0.059 0.000 1.002 514 Q HN 0.348 nan 8.270 nan 0.000 0.493 515 T N 1.073 115.644 114.554 0.029 0.000 2.857 515 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 515 T C 1.396 176.192 174.700 0.160 0.000 1.048 515 T CA 0.969 63.126 62.100 0.094 0.000 1.139 515 T CB -0.025 68.868 68.868 0.042 0.000 0.874 515 T HN 0.325 nan 8.240 nan 0.000 0.455 516 E N 0.988 121.250 120.200 0.103 0.000 2.077 516 E HA -0.055 4.295 4.350 -0.001 0.000 0.193 516 E C 2.123 178.789 176.600 0.110 0.000 0.989 516 E CA 0.878 57.336 56.400 0.096 0.000 0.800 516 E CB -0.293 29.448 29.700 0.069 0.000 0.746 516 E HN 0.415 nan 8.360 nan 0.000 0.452 517 L N -0.129 121.166 121.223 0.120 0.000 2.109 517 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 517 L C 2.374 179.357 176.870 0.189 0.000 1.086 517 L CA 0.623 55.542 54.840 0.131 0.000 0.760 517 L CB -0.308 41.821 42.059 0.118 0.000 0.910 517 L HN 0.128 nan 8.230 nan 0.000 0.437 518 F N 0.320 120.317 119.950 0.079 0.000 2.171 518 F HA -0.263 4.264 4.527 -0.001 0.000 0.300 518 F C 2.809 178.704 175.800 0.158 0.000 1.090 518 F CA 1.611 59.685 58.000 0.122 0.000 1.293 518 F CB -0.269 38.777 39.000 0.078 0.000 1.013 518 F HN -0.023 nan 8.300 nan 0.000 0.486 519 S N 0.188 115.962 115.700 0.123 0.000 2.368 519 S HA -0.177 4.293 4.470 -0.001 0.000 0.225 519 S C 2.083 176.668 174.600 -0.025 0.000 1.030 519 S CA 1.318 59.542 58.200 0.041 0.000 0.999 519 S CB -0.293 62.969 63.200 0.102 0.000 0.844 519 S HN 0.495 nan 8.310 nan 0.000 0.459 520 R N 0.252 120.757 120.500 0.007 0.000 2.310 520 R HA 0.211 4.551 4.340 -0.001 0.000 0.202 520 R C 0.065 176.352 176.300 -0.022 0.000 0.933 520 R CA 0.261 56.361 56.100 -0.001 0.000 1.054 520 R CB -0.027 30.287 30.300 0.023 0.000 0.985 520 R HN 0.511 nan 8.270 nan 0.000 0.489 521 Q N 0.619 120.397 119.800 -0.037 0.000 2.463 521 Q HA -0.221 4.119 4.340 -0.001 0.000 0.299 521 Q C -0.964 175.059 176.000 0.039 0.000 1.353 521 Q CA 0.695 56.492 55.803 -0.010 0.000 0.828 521 Q CB -1.513 27.160 28.738 -0.108 0.000 1.157 521 Q HN 0.480 nan 8.270 nan 0.000 0.436 522 Q N 0.315 120.203 119.800 0.148 0.000 2.506 522 Q HA 0.209 4.549 4.340 -0.001 0.000 0.242 522 Q C -0.539 175.638 176.000 0.295 0.000 1.060 522 Q CA -0.520 55.361 55.803 0.130 0.000 0.826 522 Q CB 0.632 29.415 28.738 0.076 0.000 1.169 522 Q HN 0.156 nan 8.270 nan 0.000 0.521 523 W N 1.648 122.940 121.300 -0.013 0.000 2.126 523 W HA 0.205 4.865 4.660 -0.001 0.000 0.346 523 W C 0.529 177.030 176.519 -0.030 0.000 1.279 523 W CA -0.387 56.946 57.345 -0.021 0.000 1.259 523 W CB 0.396 29.831 29.460 -0.041 0.000 1.133 523 W HN 0.381 nan 8.180 nan 0.000 0.592 524 Q N 0.211 120.116 119.800 0.175 0.000 2.484 524 Q HA 0.341 4.680 4.340 -0.001 0.000 0.285 524 Q C -0.454 175.569 176.000 0.039 0.000 1.097 524 Q CA -0.934 54.917 55.803 0.081 0.000 0.802 524 Q CB 1.193 29.960 28.738 0.050 0.000 1.444 524 Q HN 0.259 nan 8.270 nan 0.000 0.429 525 T N 1.709 116.277 114.554 0.023 0.000 2.934 525 T HA 0.161 4.511 4.350 -0.001 0.000 0.306 525 T C 0.298 175.002 174.700 0.007 0.000 1.042 525 T CA 0.194 62.295 62.100 0.003 0.000 1.145 525 T CB -0.057 68.818 68.868 0.011 0.000 0.982 525 T HN 0.210 nan 8.240 nan 0.000 0.544 526 L N 6.437 127.660 121.223 -0.000 0.000 2.272 526 L HA 0.326 4.666 4.340 -0.001 0.000 0.284 526 L C -1.954 174.992 176.870 0.126 0.000 1.045 526 L CA -2.199 52.679 54.840 0.063 0.000 0.842 526 L CB 0.465 42.582 42.059 0.097 0.000 1.224 526 L HN 0.368 nan 8.230 nan 0.000 0.430 527 P HA 0.017 nan 4.420 nan 0.000 0.276 527 P C -0.248 177.173 177.300 0.201 0.000 1.243 527 P CA 0.033 63.214 63.100 0.135 0.000 0.768 527 P CB 1.290 33.042 31.700 0.086 0.000 0.856 528 F N 2.445 122.420 119.950 0.042 0.000 2.581 528 F HA 0.106 4.633 4.527 -0.001 0.000 0.278 528 F C 0.969 176.792 175.800 0.038 0.000 1.000 528 F CA 0.260 58.227 58.000 -0.056 0.000 1.230 528 F CB -0.004 39.058 39.000 0.104 0.000 1.008 528 F HN 0.271 nan 8.300 nan 0.000 0.695 529 S N 0.578 116.301 115.700 0.038 0.000 2.603 529 S HA 0.123 4.592 4.470 -0.001 0.000 0.268 529 S C 0.724 175.306 174.600 -0.031 0.000 1.317 529 S CA -0.257 57.912 58.200 -0.052 0.000 1.012 529 S CB 0.941 64.177 63.200 0.061 0.000 0.926 529 S HN 0.253 nan 8.310 nan 0.000 0.539 530 D N 0.914 121.288 120.400 -0.043 0.000 2.149 530 D HA -0.119 4.520 4.640 -0.001 0.000 0.198 530 D C 1.979 178.281 176.300 0.003 0.000 0.990 530 D CA 1.171 55.160 54.000 -0.019 0.000 0.839 530 D CB -0.299 40.486 40.800 -0.025 0.000 0.948 530 D HN 0.687 nan 8.370 nan 0.000 0.460 531 R N 0.639 121.146 120.500 0.012 0.000 2.080 531 R HA -0.168 4.172 4.340 -0.001 0.000 0.236 531 R C 2.171 178.487 176.300 0.027 0.000 1.137 531 R CA 1.468 57.580 56.100 0.020 0.000 0.943 531 R CB -0.050 30.265 30.300 0.025 0.000 0.846 531 R HN 0.255 nan 8.270 nan 0.000 0.431 532 Q N 0.040 119.863 119.800 0.038 0.000 2.050 532 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 532 Q C 2.263 178.288 176.000 0.042 0.000 0.980 532 Q CA 1.862 57.692 55.803 0.046 0.000 0.840 532 Q CB -0.140 28.640 28.738 0.070 0.000 0.898 532 Q HN 0.436 nan 8.270 nan 0.000 0.424 533 I N 0.695 121.290 120.570 0.042 0.000 2.226 533 I HA -0.263 3.907 4.170 -0.001 0.000 0.245 533 I C 1.964 178.097 176.117 0.027 0.000 1.100 533 I CA 1.229 62.553 61.300 0.039 0.000 1.374 533 I CB -0.200 37.824 38.000 0.041 0.000 1.057 533 I HN 0.167 nan 8.210 nan 0.000 0.413 534 D N 0.818 121.230 120.400 0.020 0.000 2.178 534 D HA -0.121 4.518 4.640 -0.001 0.000 0.202 534 D C 2.139 178.450 176.300 0.018 0.000 0.974 534 D CA 1.239 55.248 54.000 0.016 0.000 0.841 534 D CB 0.074 40.881 40.800 0.012 0.000 0.953 534 D HN 0.294 nan 8.370 nan 0.000 0.478 535 A N -0.065 122.768 122.820 0.021 0.000 2.067 535 A HA -0.098 4.222 4.320 -0.001 0.000 0.219 535 A C 1.099 178.696 177.584 0.022 0.000 1.158 535 A CA 0.552 52.602 52.037 0.021 0.000 0.661 535 A CB -0.305 18.708 19.000 0.022 0.000 0.801 535 A HN 0.162 nan 8.150 nan 0.000 0.452 536 D N 0.183 120.598 120.400 0.025 0.000 2.363 536 D HA 0.148 4.787 4.640 -0.001 0.000 0.263 536 D C -1.675 174.640 176.300 0.025 0.000 1.258 536 D CA -1.712 52.304 54.000 0.026 0.000 0.907 536 D CB 1.071 41.888 40.800 0.028 0.000 1.107 536 D HN 0.101 nan 8.370 nan 0.000 0.495 537 P HA -0.061 nan 4.420 nan 0.000 0.230 537 P C 0.808 178.125 177.300 0.029 0.000 1.158 537 P CA 0.698 63.813 63.100 0.025 0.000 0.769 537 P CB 0.328 32.042 31.700 0.024 0.000 0.807 538 Q N -0.930 118.891 119.800 0.034 0.000 2.360 538 Q HA 0.089 4.428 4.340 -0.001 0.000 0.202 538 Q C 0.535 176.558 176.000 0.039 0.000 0.915 538 Q CA -0.363 55.465 55.803 0.042 0.000 0.943 538 Q CB -0.146 28.624 28.738 0.052 0.000 1.064 538 Q HN 0.250 nan 8.270 nan 0.000 0.511 539 L N 2.330 123.571 121.223 0.030 0.000 2.640 539 L HA -0.138 4.202 4.340 -0.001 0.000 0.280 539 L C -0.357 176.529 176.870 0.027 0.000 1.229 539 L CA 1.256 56.111 54.840 0.026 0.000 0.919 539 L CB 0.189 42.261 42.059 0.021 0.000 1.168 539 L HN 0.052 nan 8.230 nan 0.000 0.496 540 Q N 4.961 124.777 119.800 0.027 0.000 2.423 540 Q HA 0.648 4.988 4.340 -0.001 0.000 0.278 540 Q C -1.069 174.943 176.000 0.020 0.000 1.097 540 Q CA -0.979 54.840 55.803 0.027 0.000 0.809 540 Q CB 2.649 31.410 28.738 0.039 0.000 1.391 540 Q HN 0.613 nan 8.270 nan 0.000 0.428 541 R N 1.462 121.972 120.500 0.017 0.000 2.604 541 R HA 0.627 4.967 4.340 -0.001 0.000 0.281 541 R C -2.177 174.129 176.300 0.011 0.000 1.020 541 R CA -0.656 55.450 56.100 0.010 0.000 0.899 541 R CB 1.327 31.631 30.300 0.005 0.000 1.205 541 R HN 0.532 nan 8.270 nan 0.000 0.450 542 L N 2.069 123.298 121.223 0.009 0.000 2.436 542 L HA 0.542 4.881 4.340 -0.001 0.000 0.268 542 L C -1.514 175.358 176.870 0.003 0.000 0.974 542 L CA -0.038 54.807 54.840 0.008 0.000 0.826 542 L CB 2.637 44.704 42.059 0.014 0.000 1.291 542 L HN 0.567 nan 8.230 nan 0.000 0.406 543 S N 5.542 121.243 115.700 0.002 0.000 2.451 543 S HA 0.828 5.298 4.470 -0.001 0.000 0.301 543 S C -0.516 174.084 174.600 0.000 0.000 1.116 543 S CA -0.478 57.721 58.200 -0.001 0.000 1.093 543 S CB 0.919 64.118 63.200 -0.003 0.000 1.017 543 S HN 0.584 nan 8.310 nan 0.000 0.482 544 I N 0.832 121.401 120.570 -0.001 0.000 2.785 544 I HA 0.867 5.037 4.170 -0.001 0.000 0.302 544 I C -0.583 175.533 176.117 -0.002 0.000 1.069 544 I CA -1.180 60.119 61.300 -0.001 0.000 1.045 544 I CB 2.119 40.119 38.000 0.001 0.000 1.236 544 I HN 0.687 nan 8.210 nan 0.000 0.429 545 R N 3.007 123.506 120.500 -0.002 0.000 2.692 545 R HA 0.751 5.090 4.340 -0.001 0.000 0.269 545 R C -1.794 174.504 176.300 -0.003 0.000 1.030 545 R CA -0.643 55.455 56.100 -0.003 0.000 0.882 545 R CB 2.497 32.796 30.300 -0.003 0.000 1.250 545 R HN 0.954 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