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 3g33_1_A DATA FIRST_RESID 10 DATA SEQUENCE RYEPVAEIGV GAYGTVYKAR DPHSGHFVAL KSVRVPNGGG GGGGLPISTV DATA SEQUENCE REVALLRRLE AFEHPNVVRL MDVCATSRTD REIKVTLVFE HVDQDLRTYL DATA SEQUENCE DKAPPPGLPA ETIKDLMRQF LRGLDFLHAN CIVHRDLKPE NILVTSGGTV DATA SEQUENCE KLADFGLARI YSYQMALTPV VVTLWYRAPE VLLQSTYATP VDMWSVGCIF DATA SEQUENCE AEMFRRKPLF CGNSEADQLG KIFDLIGLPP EDDWPRDVSL PRGAFPPRGP DATA SEQUENCE RPVQSVVPEM EESGAQLLLE MLTFNPHKRI SAFRALQHSY L 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.175 176.300 -0.209 0.000 0.893 10 R CA 0.000 56.029 56.100 -0.118 0.000 0.921 10 R CB 0.000 30.187 30.300 -0.189 0.000 0.687 11 Y N 2.100 122.374 120.300 -0.044 0.000 2.307 11 Y HA 0.386 4.937 4.550 0.001 0.000 0.324 11 Y C 0.562 176.438 175.900 -0.039 0.000 1.238 11 Y CA -0.127 57.948 58.100 -0.042 0.000 1.280 11 Y CB 0.902 39.355 38.460 -0.012 0.000 1.248 11 Y HN -0.016 nan 8.280 nan 0.000 0.508 12 E N 4.430 124.704 120.200 0.125 0.000 2.134 12 E HA 0.330 4.681 4.350 0.001 0.000 0.278 12 E C -2.761 173.902 176.600 0.105 0.000 0.959 12 E CA -2.413 54.031 56.400 0.073 0.000 0.783 12 E CB 1.061 30.783 29.700 0.036 0.000 1.095 12 E HN 0.232 nan 8.360 nan 0.000 0.399 13 P HA 0.122 nan 4.420 nan 0.000 0.296 13 P C -0.214 177.133 177.300 0.078 0.000 1.306 13 P CA -0.345 62.797 63.100 0.069 0.000 0.818 13 P CB 1.845 33.539 31.700 -0.009 0.000 0.969 14 V N 1.420 121.390 119.914 0.095 0.000 3.250 14 V HA 0.443 4.564 4.120 0.001 0.000 0.240 14 V C 0.755 176.874 176.094 0.043 0.000 1.275 14 V CA 1.042 63.389 62.300 0.079 0.000 1.206 14 V CB 0.250 32.147 31.823 0.124 0.000 0.976 14 V HN 0.670 nan 8.190 nan 0.000 0.467 15 A N -0.549 122.275 122.820 0.007 0.000 2.524 15 A HA 0.819 5.139 4.320 0.001 0.000 0.286 15 A C -1.152 176.427 177.584 -0.008 0.000 1.203 15 A CA -0.445 51.579 52.037 -0.022 0.000 0.736 15 A CB 2.070 21.011 19.000 -0.097 0.000 1.322 15 A HN 0.134 nan 8.150 nan 0.000 0.424 16 E N 0.098 120.277 120.200 -0.034 0.000 2.293 16 E HA 0.580 4.931 4.350 0.001 0.000 0.270 16 E C -1.447 175.107 176.600 -0.076 0.000 0.879 16 E CA -0.466 55.893 56.400 -0.068 0.000 0.756 16 E CB 1.667 31.310 29.700 -0.095 0.000 1.208 16 E HN 0.544 nan 8.360 nan 0.000 0.428 17 I N 1.719 122.236 120.570 -0.087 0.000 2.566 17 I HA 0.319 4.489 4.170 0.001 0.000 0.303 17 I C 1.184 177.268 176.117 -0.056 0.000 0.983 17 I CA -0.677 60.600 61.300 -0.038 0.000 1.235 17 I CB 1.316 39.322 38.000 0.010 0.000 1.386 17 I HN 0.558 nan 8.210 nan 0.000 0.494 18 G N 3.276 112.062 108.800 -0.024 0.000 2.794 18 G HA2 0.303 4.263 3.960 0.001 0.000 0.249 18 G HA3 0.303 4.263 3.960 0.001 0.000 0.249 18 G C -0.326 174.558 174.900 -0.027 0.000 1.236 18 G CA -0.363 44.722 45.100 -0.024 0.000 0.880 18 G HN 0.407 nan 8.290 nan 0.000 0.586 19 V N 0.709 120.607 119.914 -0.025 0.000 2.435 19 V HA 0.719 4.840 4.120 0.001 0.000 0.290 19 V C 0.907 176.998 176.094 -0.005 0.000 1.030 19 V CA 0.191 62.478 62.300 -0.022 0.000 0.881 19 V CB 0.820 32.619 31.823 -0.041 0.000 0.983 19 V HN 1.075 nan 8.190 nan 0.000 0.445 20 G N 2.670 111.482 108.800 0.020 0.000 3.387 20 G HA2 0.569 4.530 3.960 0.001 0.000 0.194 20 G HA3 0.569 4.530 3.960 0.001 0.000 0.194 20 G C 0.307 175.166 174.900 -0.069 0.000 1.417 20 G CA 0.180 45.286 45.100 0.010 0.000 0.777 20 G HN 0.940 nan 8.290 nan 0.000 0.721 21 A N -0.727 121.986 122.820 -0.178 0.000 2.708 21 A HA 0.645 4.966 4.320 0.001 0.000 0.293 21 A C -0.162 176.966 177.584 -0.760 0.000 1.303 21 A CA -0.226 51.538 52.037 -0.455 0.000 0.949 21 A CB -0.365 18.314 19.000 -0.535 0.000 1.121 21 A HN 0.499 nan 8.150 nan 0.000 0.542 22 Y N -1.921 118.414 120.300 0.058 0.000 2.795 22 Y HA 0.409 4.960 4.550 0.001 0.000 0.274 22 Y C 1.268 177.110 175.900 -0.096 0.000 1.035 22 Y CA -0.190 57.968 58.100 0.097 0.000 1.252 22 Y CB 0.233 39.004 38.460 0.518 0.000 1.399 22 Y HN 0.633 nan 8.280 nan 0.000 0.579 23 G N 0.834 109.636 108.800 0.004 0.000 2.545 23 G HA2 -0.206 3.755 3.960 0.001 0.000 0.216 23 G HA3 -0.206 3.755 3.960 0.001 0.000 0.216 23 G C -0.117 174.763 174.900 -0.033 0.000 1.314 23 G CA -0.559 44.517 45.100 -0.042 0.000 0.906 23 G HN 0.439 nan 8.290 nan 0.000 0.563 24 T N -1.205 113.301 114.554 -0.080 0.000 2.769 24 T HA 0.501 4.852 4.350 0.001 0.000 0.293 24 T C 0.234 174.795 174.700 -0.231 0.000 0.931 24 T CA 0.002 61.973 62.100 -0.216 0.000 1.139 24 T CB 1.253 69.919 68.868 -0.336 0.000 0.881 24 T HN 1.436 nan 8.240 nan 0.000 0.532 25 V N 4.944 124.727 119.914 -0.219 0.000 2.333 25 V HA 0.296 4.417 4.120 0.001 0.000 0.274 25 V C -0.593 175.385 176.094 -0.192 0.000 1.028 25 V CA -1.072 61.163 62.300 -0.107 0.000 0.851 25 V CB -0.318 31.494 31.823 -0.018 0.000 1.000 25 V HN 0.813 nan 8.190 nan 0.000 0.456 26 Y N 3.073 123.376 120.300 0.006 0.000 2.304 26 Y HA 0.378 4.929 4.550 0.001 0.000 0.328 26 Y C 0.618 176.478 175.900 -0.067 0.000 1.123 26 Y CA -0.335 57.752 58.100 -0.021 0.000 1.218 26 Y CB 1.044 39.500 38.460 -0.007 0.000 1.207 26 Y HN 0.488 nan 8.280 nan 0.000 0.495 27 K N 2.779 123.192 120.400 0.023 0.000 2.248 27 K HA 0.755 5.075 4.320 0.001 0.000 0.281 27 K C -1.060 175.527 176.600 -0.021 0.000 1.054 27 K CA -0.276 55.908 56.287 -0.171 0.000 0.903 27 K CB 0.399 32.681 32.500 -0.364 0.000 1.077 27 K HN 0.816 nan 8.250 nan 0.000 0.474 28 A N 4.414 127.266 122.820 0.054 0.000 2.485 28 A HA 0.609 4.930 4.320 0.001 0.000 0.292 28 A C -1.109 176.680 177.584 0.342 0.000 1.147 28 A CA -0.925 51.219 52.037 0.179 0.000 0.750 28 A CB 1.361 20.437 19.000 0.126 0.000 1.331 28 A HN 0.785 nan 8.150 nan 0.000 0.419 29 R N 0.511 121.174 120.500 0.271 0.000 2.460 29 R HA 0.344 4.685 4.340 0.001 0.000 0.303 29 R C -1.513 174.878 176.300 0.152 0.000 0.968 29 R CA -0.622 55.562 56.100 0.140 0.000 0.889 29 R CB 1.381 31.700 30.300 0.032 0.000 1.123 29 R HN 0.746 nan 8.270 nan 0.000 0.455 30 D N 4.484 124.953 120.400 0.116 0.000 2.411 30 D HA 0.161 4.802 4.640 0.001 0.000 0.225 30 D C -1.783 174.457 176.300 -0.100 0.000 1.156 30 D CA -2.325 51.726 54.000 0.085 0.000 0.874 30 D CB 1.592 42.522 40.800 0.216 0.000 1.034 30 D HN 0.177 nan 8.370 nan 0.000 0.502 31 P HA -0.116 nan 4.420 nan 0.000 0.229 31 P C 0.527 177.691 177.300 -0.227 0.000 1.150 31 P CA 0.954 63.895 63.100 -0.266 0.000 0.765 31 P CB 0.236 31.721 31.700 -0.359 0.000 0.783 32 H N -1.439 117.599 119.070 -0.054 0.000 2.334 32 H HA 0.101 4.658 4.556 0.001 0.000 0.315 32 H C 2.110 177.427 175.328 -0.017 0.000 1.056 32 H CA 1.861 57.887 56.048 -0.037 0.000 1.418 32 H CB -0.833 28.908 29.762 -0.036 0.000 1.464 32 H HN 0.151 nan 8.280 nan 0.000 0.587 33 S N -0.330 115.464 115.700 0.157 0.000 2.436 33 S HA 0.087 4.558 4.470 0.001 0.000 0.228 33 S C 1.869 176.447 174.600 -0.038 0.000 1.014 33 S CA 1.020 59.300 58.200 0.134 0.000 0.950 33 S CB -0.048 63.340 63.200 0.314 0.000 0.784 33 S HN 0.706 nan 8.310 nan 0.000 0.504 34 G N 0.843 109.592 108.800 -0.085 0.000 2.179 34 G HA2 -0.225 3.736 3.960 0.001 0.000 0.260 34 G HA3 -0.225 3.736 3.960 0.001 0.000 0.260 34 G C 0.042 174.727 174.900 -0.359 0.000 0.977 34 G CA 0.328 45.288 45.100 -0.233 0.000 0.641 34 G HN 0.669 nan 8.290 nan 0.000 0.533 35 H N -0.675 118.326 119.070 -0.115 0.000 2.615 35 H HA 0.484 5.041 4.556 0.001 0.000 0.363 35 H C 0.192 175.459 175.328 -0.103 0.000 1.148 35 H CA 0.000 56.001 56.048 -0.079 0.000 1.401 35 H CB 0.541 30.330 29.762 0.044 0.000 1.461 35 H HN 0.062 nan 8.280 nan 0.000 0.588 36 F N 1.007 121.113 119.950 0.259 0.000 2.384 36 F HA 0.190 4.718 4.527 0.001 0.000 0.338 36 F C 0.567 176.486 175.800 0.199 0.000 1.103 36 F CA -0.472 57.640 58.000 0.186 0.000 1.157 36 F CB 0.999 40.120 39.000 0.201 0.000 1.167 36 F HN 0.193 nan 8.300 nan 0.000 0.529 37 V N 0.118 120.216 119.914 0.306 0.000 2.823 37 V HA 0.910 5.031 4.120 0.001 0.000 0.312 37 V C -0.548 175.594 176.094 0.080 0.000 1.072 37 V CA -1.379 61.025 62.300 0.172 0.000 0.937 37 V CB 1.346 33.166 31.823 -0.006 0.000 1.013 37 V HN 0.918 nan 8.190 nan 0.000 0.430 38 A N 5.023 127.931 122.820 0.148 0.000 2.366 38 A HA 0.689 5.010 4.320 0.001 0.000 0.322 38 A C -0.123 177.539 177.584 0.130 0.000 1.397 38 A CA -0.496 51.623 52.037 0.135 0.000 0.984 38 A CB -0.381 18.763 19.000 0.240 0.000 1.149 38 A HN 0.928 nan 8.150 nan 0.000 0.540 39 L N 2.312 123.584 121.223 0.083 0.000 2.410 39 L HA 0.268 4.608 4.340 0.001 0.000 0.273 39 L C 0.558 177.539 176.870 0.185 0.000 1.144 39 L CA 0.202 55.097 54.840 0.092 0.000 0.863 39 L CB 0.679 42.787 42.059 0.082 0.000 1.140 39 L HN 0.679 nan 8.230 nan 0.000 0.463 40 K N 2.429 122.947 120.400 0.195 0.000 2.545 40 K HA 0.402 4.722 4.320 0.001 0.000 0.252 40 K C -1.072 175.656 176.600 0.214 0.000 0.948 40 K CA -0.334 56.091 56.287 0.230 0.000 0.827 40 K CB 1.516 34.186 32.500 0.283 0.000 1.128 40 K HN 0.521 nan 8.250 nan 0.000 0.429 41 S N 1.942 117.764 115.700 0.203 0.000 2.509 41 S HA 0.607 5.077 4.470 0.001 0.000 0.297 41 S C -0.954 173.738 174.600 0.153 0.000 1.118 41 S CA -0.786 57.509 58.200 0.159 0.000 1.074 41 S CB 1.555 64.836 63.200 0.134 0.000 1.038 41 S HN 0.462 nan 8.310 nan 0.000 0.498 42 V N 0.811 120.809 119.914 0.141 0.000 2.888 42 V HA 0.707 4.828 4.120 0.001 0.000 0.309 42 V C -0.822 175.315 176.094 0.071 0.000 1.114 42 V CA -1.521 60.850 62.300 0.119 0.000 0.940 42 V CB 1.762 33.753 31.823 0.280 0.000 1.021 42 V HN 0.945 nan 8.190 nan 0.000 0.426 43 R N 2.601 123.124 120.500 0.039 0.000 2.221 43 R HA 0.843 5.184 4.340 0.001 0.000 0.327 43 R C -1.029 175.266 176.300 -0.008 0.000 1.033 43 R CA -0.528 55.581 56.100 0.015 0.000 0.887 43 R CB 1.458 31.762 30.300 0.007 0.000 1.057 43 R HN 0.556 nan 8.270 nan 0.000 0.455 44 V N 3.426 123.314 119.914 -0.044 0.000 3.096 44 V HA 0.461 4.582 4.120 0.001 0.000 0.319 44 V C -2.181 173.819 176.094 -0.157 0.000 1.103 44 V CA -2.727 59.495 62.300 -0.129 0.000 1.016 44 V CB 1.952 33.713 31.823 -0.103 0.000 1.090 44 V HN 0.753 nan 8.190 nan 0.000 0.449 45 P HA 0.263 nan 4.420 nan 0.000 0.281 45 P C -0.209 177.025 177.300 -0.111 0.000 1.252 45 P CA 0.064 63.054 63.100 -0.184 0.000 0.778 45 P CB 0.627 32.174 31.700 -0.255 0.000 0.895 46 N N 1.833 120.491 118.700 -0.070 0.000 2.397 46 N HA 0.130 4.871 4.740 0.001 0.000 0.190 46 N C 0.095 175.585 175.510 -0.034 0.000 1.099 46 N CA 0.372 53.394 53.050 -0.047 0.000 0.876 46 N CB 0.620 39.086 38.487 -0.035 0.000 1.143 46 N HN 0.477 nan 8.380 nan 0.000 0.468 47 G N -1.020 107.761 108.800 -0.031 0.000 2.701 47 G HA2 0.611 4.572 3.960 0.001 0.000 0.300 47 G HA3 0.611 4.572 3.960 0.001 0.000 0.300 47 G C -0.558 174.332 174.900 -0.017 0.000 1.410 47 G CA -0.324 44.764 45.100 -0.020 0.000 1.014 47 G HN 0.227 nan 8.290 nan 0.000 0.509 48 G N -0.686 108.107 108.800 -0.011 0.000 2.932 48 G HA2 0.547 4.507 3.960 0.001 0.000 0.283 48 G HA3 0.547 4.507 3.960 0.001 0.000 0.283 48 G C 0.654 175.554 174.900 -0.000 0.000 1.336 48 G CA -0.019 45.079 45.100 -0.005 0.000 1.056 48 G HN 1.155 nan 8.290 nan 0.000 0.522 49 G N -1.625 107.177 108.800 0.004 0.000 3.233 49 G HA2 0.403 4.364 3.960 0.001 0.000 0.227 49 G HA3 0.403 4.364 3.960 0.001 0.000 0.227 49 G C 0.723 175.626 174.900 0.004 0.000 1.175 49 G CA 0.698 45.800 45.100 0.005 0.000 0.781 49 G HN 1.142 nan 8.290 nan 0.000 0.542 50 G N -0.440 108.362 108.800 0.003 0.000 4.552 50 G HA2 0.564 4.524 3.960 0.001 0.000 0.281 50 G HA3 0.564 4.524 3.960 0.001 0.000 0.281 50 G C 0.396 175.297 174.900 0.001 0.000 1.037 50 G CA 0.284 45.386 45.100 0.003 0.000 0.806 50 G HN 1.127 nan 8.290 nan 0.000 0.495 51 G N -0.903 107.896 108.800 -0.001 0.000 2.675 51 G HA2 0.425 4.385 3.960 0.001 0.000 0.686 51 G HA3 0.425 4.385 3.960 0.001 0.000 0.686 51 G C 0.431 175.328 174.900 -0.005 0.000 1.215 51 G CA -0.253 44.846 45.100 -0.003 0.000 0.777 51 G HN 1.289 nan 8.290 nan 0.000 0.638 52 G N 0.030 108.826 108.800 -0.007 0.000 2.225 52 G HA2 0.650 4.610 3.960 0.001 0.000 0.245 52 G HA3 0.650 4.610 3.960 0.001 0.000 0.245 52 G C 0.748 175.641 174.900 -0.012 0.000 1.249 52 G CA 0.988 46.081 45.100 -0.010 0.000 0.919 52 G HN 1.912 nan 8.290 nan 0.000 0.486 53 G N 0.677 109.467 108.800 -0.016 0.000 2.690 53 G HA2 0.581 4.542 3.960 0.001 0.000 0.291 53 G HA3 0.581 4.542 3.960 0.001 0.000 0.291 53 G C -1.095 173.788 174.900 -0.029 0.000 1.403 53 G CA -0.963 44.127 45.100 -0.017 0.000 0.864 53 G HN 0.662 nan 8.290 nan 0.000 0.480 54 L N 1.603 122.810 121.223 -0.028 0.000 2.322 54 L HA 0.419 4.760 4.340 0.001 0.000 0.281 54 L C -1.937 174.912 176.870 -0.035 0.000 1.014 54 L CA -1.975 52.840 54.840 -0.041 0.000 0.815 54 L CB 2.405 44.444 42.059 -0.033 0.000 1.247 54 L HN 0.319 nan 8.230 nan 0.000 0.421 55 P HA 0.036 nan 4.420 nan 0.000 0.257 55 P C 1.067 178.375 177.300 0.013 0.000 1.189 55 P CA 0.206 63.294 63.100 -0.020 0.000 0.780 55 P CB 0.477 32.129 31.700 -0.081 0.000 0.772 56 I N 2.406 122.991 120.570 0.025 0.000 2.145 56 I HA -0.366 3.805 4.170 0.001 0.000 0.244 56 I C 2.438 178.575 176.117 0.034 0.000 1.075 56 I CA 2.394 63.708 61.300 0.023 0.000 1.332 56 I CB -0.771 37.242 38.000 0.023 0.000 1.033 56 I HN 0.391 nan 8.210 nan 0.000 0.410 57 S N -0.409 115.325 115.700 0.058 0.000 2.419 57 S HA -0.170 4.300 4.470 0.001 0.000 0.233 57 S C 1.882 176.522 174.600 0.065 0.000 1.016 57 S CA 1.818 60.056 58.200 0.063 0.000 0.974 57 S CB -0.707 62.545 63.200 0.087 0.000 0.786 57 S HN 0.426 nan 8.310 nan 0.000 0.492 58 T N 1.692 116.288 114.554 0.071 0.000 2.894 58 T HA 0.122 4.472 4.350 0.001 0.000 0.258 58 T C 1.853 176.565 174.700 0.021 0.000 1.043 58 T CA 1.126 63.259 62.100 0.055 0.000 1.141 58 T CB -0.366 68.521 68.868 0.032 0.000 0.873 58 T HN 0.292 nan 8.240 nan 0.000 0.449 59 V N 1.555 121.475 119.914 0.011 0.000 2.626 59 V HA -0.096 4.025 4.120 0.001 0.000 0.252 59 V C 2.550 178.647 176.094 0.004 0.000 1.067 59 V CA 1.430 63.731 62.300 0.002 0.000 1.081 59 V CB -0.571 31.251 31.823 -0.002 0.000 0.686 59 V HN 0.351 nan 8.190 nan 0.000 0.468 60 R N -0.029 120.478 120.500 0.011 0.000 2.057 60 R HA -0.106 4.235 4.340 0.001 0.000 0.229 60 R C 2.345 178.651 176.300 0.010 0.000 1.136 60 R CA 1.550 57.657 56.100 0.010 0.000 0.952 60 R CB -0.261 30.047 30.300 0.013 0.000 0.848 60 R HN 0.563 nan 8.270 nan 0.000 0.430 61 E N 0.202 120.408 120.200 0.010 0.000 2.150 61 E HA -0.129 4.221 4.350 0.001 0.000 0.193 61 E C 1.970 178.567 176.600 -0.004 0.000 0.985 61 E CA 1.064 57.467 56.400 0.004 0.000 0.814 61 E CB 0.131 29.830 29.700 -0.002 0.000 0.752 61 E HN 0.110 nan 8.360 nan 0.000 0.466 62 V N 1.111 121.019 119.914 -0.009 0.000 2.453 62 V HA -0.197 3.924 4.120 0.001 0.000 0.247 62 V C 2.249 178.331 176.094 -0.019 0.000 1.048 62 V CA 1.709 63.993 62.300 -0.026 0.000 1.049 62 V CB -0.449 31.357 31.823 -0.028 0.000 0.672 62 V HN 0.281 nan 8.190 nan 0.000 0.457 63 A N -0.364 122.453 122.820 -0.004 0.000 1.968 63 A HA -0.094 4.226 4.320 0.001 0.000 0.217 63 A C 2.093 179.690 177.584 0.023 0.000 1.169 63 A CA 1.421 53.461 52.037 0.004 0.000 0.638 63 A CB -0.408 18.595 19.000 0.004 0.000 0.812 63 A HN 0.435 nan 8.150 nan 0.000 0.446 64 L N -0.894 120.346 121.223 0.029 0.000 2.093 64 L HA -0.059 4.282 4.340 0.001 0.000 0.208 64 L C 2.059 178.982 176.870 0.089 0.000 1.085 64 L CA 1.419 56.290 54.840 0.052 0.000 0.755 64 L CB -0.463 41.619 42.059 0.038 0.000 0.904 64 L HN 0.250 nan 8.230 nan 0.000 0.435 65 L N -0.605 120.664 121.223 0.077 0.000 2.027 65 L HA -0.099 4.241 4.340 0.001 0.000 0.206 65 L C 2.707 179.643 176.870 0.110 0.000 1.074 65 L CA 1.441 56.354 54.840 0.122 0.000 0.745 65 L CB -1.128 40.958 42.059 0.045 0.000 0.898 65 L HN 0.215 nan 8.230 nan 0.000 0.433 66 R N -0.557 119.966 120.500 0.039 0.000 2.117 66 R HA -0.197 4.144 4.340 0.001 0.000 0.243 66 R C 2.278 178.617 176.300 0.065 0.000 1.143 66 R CA 1.254 57.369 56.100 0.025 0.000 0.968 66 R CB -0.737 29.558 30.300 -0.008 0.000 0.863 66 R HN 0.378 nan 8.270 nan 0.000 0.444 67 R N 0.548 121.101 120.500 0.087 0.000 2.081 67 R HA -0.124 4.217 4.340 0.001 0.000 0.235 67 R C 2.199 178.631 176.300 0.220 0.000 1.131 67 R CA 1.158 57.322 56.100 0.107 0.000 0.960 67 R CB -0.205 30.169 30.300 0.122 0.000 0.856 67 R HN 0.027 nan 8.270 nan 0.000 0.436 68 L N 1.535 122.947 121.223 0.316 0.000 2.042 68 L HA -0.196 4.145 4.340 0.001 0.000 0.210 68 L C 2.446 179.577 176.870 0.434 0.000 1.076 68 L CA 1.856 57.002 54.840 0.510 0.000 0.749 68 L CB -0.795 41.522 42.059 0.429 0.000 0.893 68 L HN 0.311 nan 8.230 nan 0.000 0.432 69 E N -0.214 120.136 120.200 0.249 0.000 2.147 69 E HA -0.326 4.025 4.350 0.001 0.000 0.199 69 E C 2.107 178.775 176.600 0.114 0.000 1.005 69 E CA 1.422 57.917 56.400 0.160 0.000 0.810 69 E CB 0.021 29.773 29.700 0.087 0.000 0.736 69 E HN 0.503 nan 8.360 nan 0.000 0.460 70 A N 0.443 123.296 122.820 0.055 0.000 1.883 70 A HA -0.182 4.139 4.320 0.001 0.000 0.217 70 A C 1.901 179.433 177.584 -0.087 0.000 1.186 70 A CA 1.560 53.544 52.037 -0.088 0.000 0.624 70 A CB -1.020 17.831 19.000 -0.249 0.000 0.822 70 A HN 0.352 nan 8.150 nan 0.000 0.444 71 F N -0.581 119.443 119.950 0.123 0.000 2.333 71 F HA -0.022 4.505 4.527 0.001 0.000 0.300 71 F C 0.949 176.773 175.800 0.041 0.000 1.083 71 F CA 1.239 59.323 58.000 0.139 0.000 1.395 71 F CB -0.486 38.719 39.000 0.341 0.000 1.056 71 F HN 0.330 nan 8.300 nan 0.000 0.529 72 E N 0.086 120.389 120.200 0.171 0.000 2.252 72 E HA -0.288 4.062 4.350 0.001 0.000 0.218 72 E C 0.069 176.645 176.600 -0.039 0.000 1.253 72 E CA -0.021 56.408 56.400 0.048 0.000 0.705 72 E CB -1.680 28.030 29.700 0.017 0.000 1.172 72 E HN 0.427 nan 8.360 nan 0.000 0.369 73 H N 0.197 119.108 119.070 -0.266 0.000 2.764 73 H HA 0.067 4.623 4.556 0.001 0.000 0.341 73 H C -1.652 173.506 175.328 -0.284 0.000 1.072 73 H CA -1.446 54.322 56.048 -0.467 0.000 1.444 73 H CB 1.184 30.216 29.762 -1.216 0.000 1.458 73 H HN 0.021 nan 8.280 nan 0.000 0.572 74 P HA 0.018 nan 4.420 nan 0.000 0.237 74 P C -0.059 177.195 177.300 -0.077 0.000 1.178 74 P CA 0.964 63.943 63.100 -0.202 0.000 0.766 74 P CB 0.305 31.859 31.700 -0.243 0.000 0.876 75 N N -0.643 118.097 118.700 0.067 0.000 2.234 75 N HA 0.165 4.905 4.740 0.001 0.000 0.227 75 N C -0.578 174.936 175.510 0.007 0.000 1.151 75 N CA -0.262 52.834 53.050 0.078 0.000 0.865 75 N CB 0.807 39.373 38.487 0.133 0.000 1.066 75 N HN -0.008 nan 8.380 nan 0.000 0.515 76 V N -2.813 117.099 119.914 -0.003 0.000 2.841 76 V HA 0.526 4.646 4.120 0.001 0.000 0.310 76 V C 0.139 176.302 176.094 0.116 0.000 1.090 76 V CA -1.087 61.201 62.300 -0.021 0.000 0.930 76 V CB 1.558 33.272 31.823 -0.181 0.000 1.014 76 V HN -0.299 nan 8.190 nan 0.000 0.425 77 V N 4.048 124.113 119.914 0.251 0.000 2.655 77 V HA 0.308 4.429 4.120 0.001 0.000 0.300 77 V C 0.840 177.150 176.094 0.359 0.000 1.044 77 V CA 0.048 62.509 62.300 0.269 0.000 1.095 77 V CB 0.594 32.558 31.823 0.235 0.000 0.952 77 V HN 0.946 nan 8.190 nan 0.000 0.485 78 R N 3.360 124.013 120.500 0.255 0.000 2.404 78 R HA 0.451 4.791 4.340 0.001 0.000 0.291 78 R C -0.652 175.753 176.300 0.175 0.000 1.025 78 R CA -0.897 55.330 56.100 0.212 0.000 0.991 78 R CB 1.019 31.386 30.300 0.112 0.000 1.053 78 R HN 0.480 nan 8.270 nan 0.000 0.479 79 L N 4.618 125.869 121.223 0.046 0.000 2.328 79 L HA 0.125 4.465 4.340 0.001 0.000 0.280 79 L C 0.779 177.546 176.870 -0.171 0.000 1.111 79 L CA 0.255 54.928 54.840 -0.278 0.000 0.909 79 L CB 0.718 42.545 42.059 -0.385 0.000 1.277 79 L HN 0.743 nan 8.230 nan 0.000 0.433 80 M N 1.040 120.557 119.600 -0.139 0.000 2.099 80 M HA 0.044 4.524 4.480 0.001 0.000 0.262 80 M C 0.519 176.789 176.300 -0.050 0.000 1.067 80 M CA 1.122 56.391 55.300 -0.052 0.000 1.124 80 M CB -0.855 31.743 32.600 -0.005 0.000 1.353 80 M HN 0.572 nan 8.290 nan 0.000 0.410 81 D N -1.477 118.864 120.400 -0.099 0.000 2.596 81 D HA 0.558 5.198 4.640 0.001 0.000 0.262 81 D C -1.634 174.605 176.300 -0.103 0.000 1.210 81 D CA -0.435 53.541 54.000 -0.040 0.000 0.873 81 D CB 2.585 43.444 40.800 0.097 0.000 1.408 81 D HN -0.149 nan 8.370 nan 0.000 0.441 82 V N 0.962 120.848 119.914 -0.045 0.000 2.612 82 V HA 0.428 4.549 4.120 0.001 0.000 0.301 82 V C -0.442 175.650 176.094 -0.002 0.000 1.059 82 V CA -0.766 61.500 62.300 -0.055 0.000 0.886 82 V CB 1.505 33.288 31.823 -0.066 0.000 1.007 82 V HN 0.743 nan 8.190 nan 0.000 0.426 83 C N 3.596 122.900 119.300 0.006 0.000 2.435 83 C HA 0.979 5.440 4.460 0.001 0.000 0.333 83 C C 0.480 175.479 174.990 0.016 0.000 1.202 83 C CA -0.530 58.506 59.018 0.031 0.000 1.830 83 C CB 1.136 28.914 27.740 0.063 0.000 2.326 83 C HN 1.047 nan 8.230 nan 0.000 0.507 84 A N 1.927 124.756 122.820 0.015 0.000 2.398 84 A HA 0.857 5.178 4.320 0.001 0.000 0.301 84 A C -0.661 176.926 177.584 0.006 0.000 1.041 84 A CA -0.237 51.804 52.037 0.007 0.000 0.711 84 A CB 1.194 20.194 19.000 0.000 0.000 1.240 84 A HN 0.799 nan 8.150 nan 0.000 0.420 85 T N 1.730 116.287 114.554 0.004 0.000 2.928 85 T HA 0.419 4.770 4.350 0.001 0.000 0.296 85 T C 0.038 174.736 174.700 -0.002 0.000 1.000 85 T CA -0.219 61.882 62.100 0.001 0.000 0.989 85 T CB 1.394 70.263 68.868 0.003 0.000 1.005 85 T HN 0.995 nan 8.240 nan 0.000 0.442 86 S N 3.187 118.884 115.700 -0.005 0.000 4.139 86 S HA 0.162 4.633 4.470 0.001 0.000 0.215 86 S C 1.253 175.850 174.600 -0.006 0.000 1.390 86 S CA -0.779 57.417 58.200 -0.007 0.000 0.885 86 S CB -0.055 63.140 63.200 -0.008 0.000 1.560 86 S HN 0.604 nan 8.310 nan 0.000 0.449 87 R N 1.045 121.542 120.500 -0.004 0.000 2.073 87 R HA 0.005 4.346 4.340 0.001 0.000 0.229 87 R C 0.487 176.785 176.300 -0.004 0.000 1.120 87 R CA 0.975 57.073 56.100 -0.003 0.000 0.967 87 R CB -0.479 29.820 30.300 -0.002 0.000 0.862 87 R HN 0.454 nan 8.270 nan 0.000 0.436 88 T N 0.866 115.417 114.554 -0.004 0.000 2.918 88 T HA 0.065 4.416 4.350 0.001 0.000 0.283 88 T C 0.327 175.023 174.700 -0.006 0.000 1.001 88 T CA -0.676 61.421 62.100 -0.005 0.000 1.041 88 T CB 1.397 70.262 68.868 -0.005 0.000 1.028 88 T HN 0.055 nan 8.240 nan 0.000 0.511 89 D N 1.353 121.750 120.400 -0.006 0.000 2.117 89 D HA -0.033 4.607 4.640 0.001 0.000 0.198 89 D C 2.502 178.797 176.300 -0.009 0.000 0.982 89 D CA 1.253 55.249 54.000 -0.006 0.000 0.828 89 D CB -0.113 40.684 40.800 -0.004 0.000 0.967 89 D HN 0.537 nan 8.370 nan 0.000 0.464 90 R N 1.191 121.686 120.500 -0.009 0.000 2.075 90 R HA 0.089 4.430 4.340 0.001 0.000 0.220 90 R C 1.446 177.734 176.300 -0.020 0.000 1.118 90 R CA 1.318 57.411 56.100 -0.012 0.000 0.986 90 R CB -1.123 29.172 30.300 -0.009 0.000 0.884 90 R HN 0.573 nan 8.270 nan 0.000 0.439 91 E N -1.298 118.890 120.200 -0.020 0.000 2.446 91 E HA 0.687 5.038 4.350 0.001 0.000 0.251 91 E C -0.835 175.749 176.600 -0.026 0.000 1.087 91 E CA -0.822 55.559 56.400 -0.031 0.000 0.937 91 E CB 1.584 31.265 29.700 -0.030 0.000 1.254 91 E HN 0.227 nan 8.360 nan 0.000 0.479 92 I N -0.365 120.186 120.570 -0.031 0.000 2.722 92 I HA 0.273 4.444 4.170 0.001 0.000 0.295 92 I C -1.410 174.699 176.117 -0.013 0.000 1.161 92 I CA -0.977 60.310 61.300 -0.021 0.000 1.032 92 I CB 2.159 40.144 38.000 -0.024 0.000 1.244 92 I HN 0.451 nan 8.210 nan 0.000 0.421 93 K N 5.819 126.219 120.400 -0.001 0.000 2.253 93 K HA 0.506 4.827 4.320 0.001 0.000 0.277 93 K C -1.223 175.387 176.600 0.017 0.000 1.053 93 K CA -0.527 55.767 56.287 0.012 0.000 0.892 93 K CB 1.748 34.258 32.500 0.015 0.000 1.102 93 K HN 0.262 nan 8.250 nan 0.000 0.469 94 V N 3.290 123.221 119.914 0.029 0.000 2.370 94 V HA 0.174 4.294 4.120 0.001 0.000 0.279 94 V C -0.075 176.047 176.094 0.047 0.000 1.029 94 V CA -0.592 61.725 62.300 0.030 0.000 0.870 94 V CB 1.503 33.343 31.823 0.028 0.000 0.984 94 V HN 0.723 nan 8.190 nan 0.000 0.451 95 T N 6.966 121.538 114.554 0.030 0.000 2.753 95 T HA 0.567 4.918 4.350 0.001 0.000 0.297 95 T C -0.306 174.384 174.700 -0.017 0.000 0.981 95 T CA -0.280 61.838 62.100 0.030 0.000 0.956 95 T CB 0.538 69.419 68.868 0.021 0.000 0.936 95 T HN 0.297 nan 8.240 nan 0.000 0.463 96 L N 3.913 125.129 121.223 -0.012 0.000 2.260 96 L HA 0.378 4.719 4.340 0.001 0.000 0.289 96 L C 0.135 176.875 176.870 -0.216 0.000 1.057 96 L CA -0.540 54.200 54.840 -0.167 0.000 0.811 96 L CB 0.811 42.763 42.059 -0.178 0.000 1.184 96 L HN 0.349 nan 8.230 nan 0.000 0.429 97 V N 4.616 124.340 119.914 -0.317 0.000 2.322 97 V HA 0.249 4.370 4.120 0.001 0.000 0.258 97 V C 0.159 176.074 176.094 -0.299 0.000 1.074 97 V CA -0.184 61.938 62.300 -0.296 0.000 0.909 97 V CB -0.666 30.922 31.823 -0.392 0.000 1.090 97 V HN 0.375 nan 8.190 nan 0.000 0.486 98 F N 1.912 121.817 119.950 -0.076 0.000 2.378 98 F HA 0.341 4.869 4.527 0.001 0.000 0.325 98 F C 0.968 176.779 175.800 0.018 0.000 1.097 98 F CA -0.657 57.324 58.000 -0.033 0.000 1.079 98 F CB 0.817 39.791 39.000 -0.043 0.000 1.240 98 F HN 0.431 nan 8.300 nan 0.000 0.519 99 E N 1.450 121.804 120.200 0.257 0.000 2.351 99 E HA -0.027 4.324 4.350 0.001 0.000 0.266 99 E C -1.144 175.588 176.600 0.221 0.000 1.031 99 E CA -0.288 56.224 56.400 0.187 0.000 0.911 99 E CB 0.280 30.059 29.700 0.132 0.000 0.986 99 E HN 0.587 nan 8.360 nan 0.000 0.446 100 H N 3.179 122.332 119.070 0.138 0.000 2.502 100 H HA 0.428 4.985 4.556 0.001 0.000 0.327 100 H C -1.289 174.112 175.328 0.121 0.000 1.099 100 H CA -0.539 55.588 56.048 0.131 0.000 1.323 100 H CB 1.444 31.305 29.762 0.166 0.000 1.450 100 H HN 0.220 nan 8.280 nan 0.000 0.502 101 V N 5.193 124.727 119.914 -0.633 0.000 2.610 101 V HA 0.165 4.286 4.120 0.001 0.000 0.298 101 V C -0.063 175.695 176.094 -0.561 0.000 1.067 101 V CA -0.528 61.494 62.300 -0.463 0.000 0.894 101 V CB 1.702 33.429 31.823 -0.161 0.000 1.015 101 V HN 1.000 nan 8.190 nan 0.000 0.432 102 D N 3.177 123.313 120.400 -0.440 0.000 2.087 102 D HA -0.112 4.529 4.640 0.001 0.000 0.192 102 D C 1.199 177.453 176.300 -0.076 0.000 0.993 102 D CA 1.753 55.647 54.000 -0.177 0.000 0.828 102 D CB 0.147 40.936 40.800 -0.018 0.000 0.968 102 D HN 0.779 nan 8.370 nan 0.000 0.448 103 Q N 0.890 120.666 119.800 -0.040 0.000 2.297 103 Q HA 0.099 4.440 4.340 0.001 0.000 0.267 103 Q C -0.800 175.200 176.000 -0.001 0.000 1.006 103 Q CA -0.436 55.373 55.803 0.010 0.000 0.896 103 Q CB 0.609 29.381 28.738 0.056 0.000 1.186 103 Q HN 0.250 nan 8.270 nan 0.000 0.392 104 D N 2.473 122.885 120.400 0.020 0.000 2.592 104 D HA 0.052 4.693 4.640 0.001 0.000 0.259 104 D C 0.681 177.005 176.300 0.040 0.000 1.144 104 D CA -0.649 53.358 54.000 0.012 0.000 1.080 104 D CB 0.418 41.225 40.800 0.011 0.000 1.225 104 D HN 0.582 nan 8.370 nan 0.000 0.619 105 L N -0.535 120.696 121.223 0.015 0.000 2.141 105 L HA -0.033 4.308 4.340 0.001 0.000 0.209 105 L C 2.656 179.575 176.870 0.082 0.000 1.094 105 L CA 0.883 55.739 54.840 0.026 0.000 0.763 105 L CB -0.063 41.970 42.059 -0.043 0.000 0.908 105 L HN 0.312 nan 8.230 nan 0.000 0.437 106 R N -0.778 119.758 120.500 0.060 0.000 2.073 106 R HA -0.156 4.185 4.340 0.001 0.000 0.234 106 R C 2.220 178.562 176.300 0.069 0.000 1.134 106 R CA 2.066 58.207 56.100 0.069 0.000 0.952 106 R CB -0.557 29.785 30.300 0.069 0.000 0.850 106 R HN 0.499 nan 8.270 nan 0.000 0.433 107 T N -2.254 112.343 114.554 0.072 0.000 2.995 107 T HA -0.159 4.192 4.350 0.001 0.000 0.269 107 T C 1.690 176.433 174.700 0.073 0.000 1.091 107 T CA 0.817 62.953 62.100 0.059 0.000 1.128 107 T CB -0.326 68.574 68.868 0.053 0.000 0.891 107 T HN 0.279 nan 8.240 nan 0.000 0.492 108 Y N 1.575 121.865 120.300 -0.018 0.000 2.286 108 Y HA 0.288 4.839 4.550 0.001 0.000 0.293 108 Y C 1.957 177.836 175.900 -0.035 0.000 1.124 108 Y CA 0.801 58.886 58.100 -0.026 0.000 1.178 108 Y CB -0.161 38.281 38.460 -0.031 0.000 1.010 108 Y HN 0.143 nan 8.280 nan 0.000 0.536 109 L N -0.587 120.677 121.223 0.068 0.000 2.341 109 L HA -0.095 4.246 4.340 0.001 0.000 0.214 109 L C 1.947 178.786 176.870 -0.051 0.000 1.115 109 L CA 0.824 55.654 54.840 -0.017 0.000 0.820 109 L CB -0.370 41.702 42.059 0.022 0.000 0.944 109 L HN 0.156 nan 8.230 nan 0.000 0.452 110 D N 1.623 122.007 120.400 -0.026 0.000 2.178 110 D HA -0.132 4.509 4.640 0.001 0.000 0.202 110 D C 1.133 177.400 176.300 -0.055 0.000 0.974 110 D CA 0.925 54.910 54.000 -0.025 0.000 0.841 110 D CB 0.297 41.098 40.800 0.000 0.000 0.953 110 D HN 0.366 nan 8.370 nan 0.000 0.478 111 K N 0.088 120.432 120.400 -0.093 0.000 3.000 111 K HA 0.573 4.894 4.320 0.001 0.000 0.239 111 K C -0.723 175.769 176.600 -0.180 0.000 1.269 111 K CA -0.592 55.625 56.287 -0.117 0.000 1.220 111 K CB 1.066 33.498 32.500 -0.112 0.000 1.645 111 K HN -0.168 nan 8.250 nan 0.000 0.423 112 A N 1.999 124.729 122.820 -0.150 0.000 2.318 112 A HA 0.581 4.902 4.320 0.001 0.000 0.317 112 A C -2.548 174.972 177.584 -0.106 0.000 1.159 112 A CA -1.664 50.275 52.037 -0.163 0.000 0.799 112 A CB 0.659 19.562 19.000 -0.162 0.000 1.194 112 A HN 0.359 nan 8.150 nan 0.000 0.479 113 P HA 0.236 nan 4.420 nan 0.000 0.272 113 P C -1.759 175.508 177.300 -0.055 0.000 1.254 113 P CA -1.021 62.039 63.100 -0.066 0.000 0.795 113 P CB 0.009 31.674 31.700 -0.059 0.000 1.022 114 P HA -0.154 nan 4.420 nan 0.000 0.214 114 P C -1.128 176.156 177.300 -0.027 0.000 1.172 114 P CA 2.629 65.710 63.100 -0.031 0.000 0.925 114 P CB -2.162 29.524 31.700 -0.023 0.000 0.793 115 P HA 0.116 nan 4.420 nan 0.000 0.252 115 P C 0.878 178.163 177.300 -0.025 0.000 1.265 115 P CA 0.897 63.989 63.100 -0.013 0.000 0.775 115 P CB -0.666 31.030 31.700 -0.006 0.000 1.128 116 G N 0.450 109.220 108.800 -0.049 0.000 2.564 116 G HA2 -0.275 3.685 3.960 0.001 0.000 0.273 116 G HA3 -0.275 3.685 3.960 0.001 0.000 0.273 116 G C -0.611 174.233 174.900 -0.092 0.000 1.242 116 G CA -0.374 44.676 45.100 -0.084 0.000 0.951 116 G HN 0.304 nan 8.290 nan 0.000 0.564 117 L N 2.020 123.166 121.223 -0.129 0.000 2.312 117 L HA 0.433 4.774 4.340 0.001 0.000 0.281 117 L C -1.643 175.187 176.870 -0.068 0.000 1.070 117 L CA -1.824 52.958 54.840 -0.097 0.000 0.805 117 L CB 1.372 43.374 42.059 -0.094 0.000 1.174 117 L HN 0.347 nan 8.230 nan 0.000 0.434 118 P HA -0.021 nan 4.420 nan 0.000 0.271 118 P C 0.332 177.662 177.300 0.050 0.000 1.233 118 P CA -0.115 62.998 63.100 0.021 0.000 0.795 118 P CB 0.647 32.358 31.700 0.018 0.000 0.936 119 A N 1.037 123.917 122.820 0.099 0.000 1.972 119 A HA -0.198 4.122 4.320 0.001 0.000 0.219 119 A C 1.840 179.476 177.584 0.087 0.000 1.169 119 A CA 1.510 53.643 52.037 0.159 0.000 0.635 119 A CB -0.833 18.255 19.000 0.146 0.000 0.810 119 A HN 0.512 nan 8.150 nan 0.000 0.446 120 E N -0.561 119.662 120.200 0.039 0.000 2.158 120 E HA -0.062 4.288 4.350 0.001 0.000 0.191 120 E C 2.067 178.681 176.600 0.023 0.000 0.982 120 E CA 1.452 57.858 56.400 0.011 0.000 0.823 120 E CB -0.760 28.941 29.700 0.003 0.000 0.766 120 E HN 0.586 nan 8.360 nan 0.000 0.468 121 T N 1.691 116.263 114.554 0.031 0.000 2.770 121 T HA 0.002 4.352 4.350 0.001 0.000 0.263 121 T C 2.108 176.834 174.700 0.043 0.000 1.039 121 T CA 0.651 62.774 62.100 0.039 0.000 1.142 121 T CB -0.107 68.789 68.868 0.047 0.000 0.868 121 T HN 0.088 nan 8.240 nan 0.000 0.435 122 I N 0.663 121.251 120.570 0.029 0.000 2.315 122 I HA -0.133 4.038 4.170 0.001 0.000 0.248 122 I C 2.605 178.812 176.117 0.150 0.000 1.117 122 I CA 1.114 62.436 61.300 0.036 0.000 1.404 122 I CB -0.254 37.678 38.000 -0.113 0.000 1.071 122 I HN 0.195 nan 8.210 nan 0.000 0.419 123 K N 0.936 121.421 120.400 0.143 0.000 2.032 123 K HA -0.284 4.037 4.320 0.001 0.000 0.209 123 K C 1.835 178.472 176.600 0.062 0.000 1.048 123 K CA 2.261 58.607 56.287 0.098 0.000 0.927 123 K CB -0.119 32.350 32.500 -0.052 0.000 0.712 123 K HN 0.158 nan 8.250 nan 0.000 0.441 124 D N -0.229 120.192 120.400 0.036 0.000 2.117 124 D HA -0.142 4.498 4.640 0.001 0.000 0.197 124 D C 1.854 178.173 176.300 0.033 0.000 0.987 124 D CA 1.010 55.024 54.000 0.024 0.000 0.829 124 D CB 0.022 40.829 40.800 0.012 0.000 0.961 124 D HN -0.009 nan 8.370 nan 0.000 0.460 125 L N -0.100 121.141 121.223 0.030 0.000 2.042 125 L HA -0.106 4.234 4.340 0.001 0.000 0.210 125 L C 2.657 179.569 176.870 0.070 0.000 1.076 125 L CA 1.156 56.001 54.840 0.010 0.000 0.749 125 L CB -1.049 40.986 42.059 -0.040 0.000 0.893 125 L HN 0.416 nan 8.230 nan 0.000 0.432 126 M N -1.239 118.421 119.600 0.099 0.000 2.319 126 M HA -0.102 4.378 4.480 0.001 0.000 0.265 126 M C 2.334 178.719 176.300 0.142 0.000 1.068 126 M CA 1.415 56.793 55.300 0.130 0.000 1.118 126 M CB -1.232 31.436 32.600 0.114 0.000 1.395 126 M HN 0.284 nan 8.290 nan 0.000 0.435 127 R N 0.340 120.896 120.500 0.094 0.000 2.066 127 R HA -0.146 4.195 4.340 0.001 0.000 0.232 127 R C 2.068 178.413 176.300 0.075 0.000 1.131 127 R CA 1.488 57.627 56.100 0.065 0.000 0.955 127 R CB -0.006 30.314 30.300 0.033 0.000 0.851 127 R HN 0.454 nan 8.270 nan 0.000 0.432 128 Q N -0.776 119.071 119.800 0.078 0.000 2.167 128 Q HA -0.167 4.173 4.340 0.001 0.000 0.202 128 Q C 1.818 177.880 176.000 0.103 0.000 0.970 128 Q CA 1.277 57.123 55.803 0.071 0.000 0.855 128 Q CB -0.115 28.648 28.738 0.041 0.000 0.911 128 Q HN 0.308 nan 8.270 nan 0.000 0.438 129 F N 0.958 120.900 119.950 -0.013 0.000 2.186 129 F HA -0.125 4.403 4.527 0.001 0.000 0.299 129 F C 1.596 177.390 175.800 -0.011 0.000 1.090 129 F CA 1.160 59.147 58.000 -0.022 0.000 1.307 129 F CB 0.121 39.108 39.000 -0.023 0.000 1.019 129 F HN -0.047 nan 8.300 nan 0.000 0.489 130 L N -0.704 120.554 121.223 0.058 0.000 2.375 130 L HA 0.008 4.349 4.340 0.001 0.000 0.215 130 L C 2.409 179.271 176.870 -0.013 0.000 1.108 130 L CA 0.441 55.273 54.840 -0.013 0.000 0.830 130 L CB -0.413 41.677 42.059 0.052 0.000 0.959 130 L HN -0.030 nan 8.230 nan 0.000 0.457 131 R N 0.025 120.541 120.500 0.027 0.000 2.075 131 R HA -0.071 4.270 4.340 0.001 0.000 0.232 131 R C 2.368 178.695 176.300 0.046 0.000 1.126 131 R CA 1.367 57.523 56.100 0.093 0.000 0.963 131 R CB -0.603 29.781 30.300 0.140 0.000 0.858 131 R HN 0.363 nan 8.270 nan 0.000 0.435 132 G N 0.890 109.666 108.800 -0.041 0.000 2.403 132 G HA2 -0.221 3.740 3.960 0.001 0.000 0.216 132 G HA3 -0.221 3.740 3.960 0.001 0.000 0.216 132 G C 1.311 176.039 174.900 -0.286 0.000 1.154 132 G CA 0.178 45.121 45.100 -0.261 0.000 0.784 132 G HN 0.116 nan 8.290 nan 0.000 0.538 133 L N 1.006 122.057 121.223 -0.287 0.000 2.017 133 L HA -0.013 4.328 4.340 0.001 0.000 0.208 133 L C 2.307 179.120 176.870 -0.095 0.000 1.073 133 L CA 2.429 57.103 54.840 -0.276 0.000 0.745 133 L CB -0.566 41.333 42.059 -0.268 0.000 0.894 133 L HN 0.234 nan 8.230 nan 0.000 0.432 134 D N -1.430 118.983 120.400 0.023 0.000 2.149 134 D HA -0.303 4.338 4.640 0.001 0.000 0.198 134 D C 2.084 178.383 176.300 -0.001 0.000 0.990 134 D CA 1.334 55.398 54.000 0.107 0.000 0.839 134 D CB -0.239 40.651 40.800 0.150 0.000 0.948 134 D HN 0.403 nan 8.370 nan 0.000 0.460 135 F N 0.177 119.967 119.950 -0.267 0.000 2.102 135 F HA -0.129 4.398 4.527 0.001 0.000 0.298 135 F C 1.845 177.412 175.800 -0.389 0.000 1.105 135 F CA 0.893 58.652 58.000 -0.401 0.000 1.239 135 F CB -0.283 38.223 39.000 -0.823 0.000 0.991 135 F HN -0.035 nan 8.300 nan 0.000 0.474 136 L N 0.476 121.468 121.223 -0.383 0.000 2.012 136 L HA -0.247 4.094 4.340 0.001 0.000 0.210 136 L C 2.421 179.013 176.870 -0.462 0.000 1.073 136 L CA 2.089 56.626 54.840 -0.505 0.000 0.748 136 L CB -1.586 40.157 42.059 -0.528 0.000 0.891 136 L HN 0.245 nan 8.230 nan 0.000 0.431 137 H N -1.693 117.235 119.070 -0.237 0.000 2.457 137 H HA 0.006 4.563 4.556 0.001 0.000 0.294 137 H C 2.094 177.290 175.328 -0.221 0.000 1.064 137 H CA 0.899 56.839 56.048 -0.180 0.000 1.330 137 H CB 0.000 29.691 29.762 -0.118 0.000 1.395 137 H HN 0.376 nan 8.280 nan 0.000 0.541 138 A N 0.731 123.432 122.820 -0.197 0.000 1.969 138 A HA -0.121 4.199 4.320 0.001 0.000 0.218 138 A C 1.681 179.066 177.584 -0.332 0.000 1.169 138 A CA 1.260 53.140 52.037 -0.262 0.000 0.635 138 A CB 0.012 18.823 19.000 -0.315 0.000 0.810 138 A HN 0.378 nan 8.150 nan 0.000 0.445 139 N N -1.029 117.399 118.700 -0.454 0.000 2.276 139 N HA 0.118 4.859 4.740 0.001 0.000 0.212 139 N C -0.233 175.142 175.510 -0.225 0.000 1.127 139 N CA 0.559 53.370 53.050 -0.398 0.000 0.834 139 N CB -0.166 37.970 38.487 -0.585 0.000 1.014 139 N HN 0.397 nan 8.380 nan 0.000 0.491 140 C N 1.009 120.208 119.300 -0.168 0.000 4.454 140 C HA -0.167 4.294 4.460 0.001 0.000 0.301 140 C C 0.251 175.194 174.990 -0.079 0.000 1.366 140 C CA -0.223 58.741 59.018 -0.090 0.000 2.016 140 C CB -2.784 24.915 27.740 -0.068 0.000 1.253 140 C HN 0.341 nan 8.230 nan 0.000 0.770 141 I N 0.111 120.608 120.570 -0.122 0.000 2.418 141 I HA 0.474 4.644 4.170 0.001 0.000 0.287 141 I C -0.023 176.016 176.117 -0.131 0.000 1.008 141 I CA -0.433 60.808 61.300 -0.098 0.000 1.104 141 I CB 1.514 39.461 38.000 -0.089 0.000 1.264 141 I HN -0.073 nan 8.210 nan 0.000 0.438 142 V N 5.490 125.382 119.914 -0.037 0.000 2.328 142 V HA 0.187 4.308 4.120 0.001 0.000 0.278 142 V C 0.242 176.367 176.094 0.052 0.000 1.021 142 V CA -0.648 61.659 62.300 0.012 0.000 0.838 142 V CB 1.018 32.897 31.823 0.094 0.000 0.999 142 V HN 0.582 nan 8.190 nan 0.000 0.447 143 H N 6.583 125.634 119.070 -0.032 0.000 3.086 143 H HA 0.176 4.733 4.556 0.001 0.000 0.265 143 H C 1.076 176.454 175.328 0.083 0.000 1.092 143 H CA 0.006 56.080 56.048 0.043 0.000 1.487 143 H CB 0.656 30.426 29.762 0.013 0.000 1.514 143 H HN 0.475 nan 8.280 nan 0.000 0.497 144 R N 2.681 123.293 120.500 0.186 0.000 2.276 144 R HA -0.025 4.316 4.340 0.001 0.000 0.203 144 R C -0.161 176.297 176.300 0.263 0.000 1.017 144 R CA 0.378 56.596 56.100 0.197 0.000 1.010 144 R CB 0.242 30.610 30.300 0.112 0.000 0.900 144 R HN 0.520 nan 8.270 nan 0.000 0.469 145 D N 0.086 120.738 120.400 0.420 0.000 2.527 145 D HA 0.185 4.826 4.640 0.001 0.000 0.242 145 D C -0.954 175.560 176.300 0.356 0.000 1.285 145 D CA -0.168 54.040 54.000 0.346 0.000 0.886 145 D CB 0.204 41.152 40.800 0.247 0.000 1.402 145 D HN -0.122 nan 8.370 nan 0.000 0.528 146 L N 2.913 124.220 121.223 0.140 0.000 2.397 146 L HA 0.485 4.825 4.340 0.001 0.000 0.271 146 L C 0.422 177.206 176.870 -0.143 0.000 1.148 146 L CA 0.015 54.774 54.840 -0.135 0.000 0.825 146 L CB 0.687 42.694 42.059 -0.087 0.000 1.117 146 L HN 0.340 nan 8.230 nan 0.000 0.456 147 K N 1.296 121.553 120.400 -0.237 0.000 2.622 147 K HA 0.277 4.598 4.320 0.001 0.000 0.273 147 K C -2.833 173.601 176.600 -0.276 0.000 0.957 147 K CA -1.435 54.544 56.287 -0.512 0.000 0.861 147 K CB 1.106 33.358 32.500 -0.413 0.000 1.405 147 K HN -0.041 nan 8.250 nan 0.000 0.406 148 P HA -0.256 nan 4.420 nan 0.000 0.221 148 P C 0.787 178.063 177.300 -0.040 0.000 1.141 148 P CA 1.361 64.394 63.100 -0.111 0.000 0.794 148 P CB 0.213 31.890 31.700 -0.038 0.000 0.764 149 E N 0.306 120.486 120.200 -0.034 0.000 2.107 149 E HA -0.157 4.193 4.350 0.001 0.000 0.191 149 E C 0.962 177.571 176.600 0.015 0.000 0.982 149 E CA 1.171 57.576 56.400 0.008 0.000 0.809 149 E CB -0.156 29.557 29.700 0.023 0.000 0.756 149 E HN 0.281 nan 8.360 nan 0.000 0.459 150 N N -0.018 118.693 118.700 0.018 0.000 2.187 150 N HA 0.105 4.845 4.740 0.001 0.000 0.212 150 N C -0.168 175.365 175.510 0.039 0.000 1.152 150 N CA -0.057 53.019 53.050 0.042 0.000 0.872 150 N CB 0.171 38.726 38.487 0.113 0.000 1.025 150 N HN 0.081 nan 8.380 nan 0.000 0.514 151 I N 1.869 122.450 120.570 0.019 0.000 2.313 151 I HA 0.223 4.393 4.170 0.001 0.000 0.286 151 I C -0.260 175.865 176.117 0.013 0.000 1.091 151 I CA -0.608 60.720 61.300 0.047 0.000 1.216 151 I CB 0.372 38.422 38.000 0.085 0.000 1.434 151 I HN -0.050 nan 8.210 nan 0.000 0.487 152 L N 6.089 127.317 121.223 0.007 0.000 2.371 152 L HA 0.459 4.800 4.340 0.001 0.000 0.272 152 L C -0.188 176.655 176.870 -0.045 0.000 1.124 152 L CA -0.682 54.145 54.840 -0.023 0.000 0.816 152 L CB 1.220 43.259 42.059 -0.032 0.000 1.129 152 L HN 0.208 nan 8.230 nan 0.000 0.448 153 V N 1.336 121.207 119.914 -0.072 0.000 2.443 153 V HA 0.224 4.345 4.120 0.001 0.000 0.293 153 V C 0.317 176.372 176.094 -0.064 0.000 1.021 153 V CA -0.535 61.695 62.300 -0.117 0.000 0.848 153 V CB 1.682 33.336 31.823 -0.282 0.000 0.998 153 V HN 0.856 nan 8.190 nan 0.000 0.424 154 T N 2.630 117.156 114.554 -0.047 0.000 2.813 154 T HA 0.100 4.451 4.350 0.001 0.000 0.297 154 T C 1.596 176.304 174.700 0.014 0.000 1.036 154 T CA 0.432 62.525 62.100 -0.013 0.000 1.044 154 T CB 1.075 69.941 68.868 -0.003 0.000 0.993 154 T HN 1.011 nan 8.240 nan 0.000 0.535 155 S N 1.666 117.388 115.700 0.038 0.000 2.419 155 S HA -0.008 4.463 4.470 0.001 0.000 0.233 155 S C 2.235 176.867 174.600 0.053 0.000 1.016 155 S CA 1.144 59.379 58.200 0.058 0.000 0.974 155 S CB -0.910 62.326 63.200 0.060 0.000 0.786 155 S HN 0.911 nan 8.310 nan 0.000 0.492 156 G N 0.853 109.675 108.800 0.036 0.000 2.484 156 G HA2 0.350 4.311 3.960 0.001 0.000 0.218 156 G HA3 0.350 4.311 3.960 0.001 0.000 0.218 156 G C 1.118 176.030 174.900 0.021 0.000 1.130 156 G CA 0.284 45.400 45.100 0.028 0.000 0.784 156 G HN 1.487 nan 8.290 nan 0.000 0.543 157 G N -1.663 107.142 108.800 0.007 0.000 2.184 157 G HA2 -0.203 3.757 3.960 0.001 0.000 0.206 157 G HA3 -0.203 3.757 3.960 0.001 0.000 0.206 157 G C 0.296 175.160 174.900 -0.061 0.000 0.995 157 G CA 0.205 45.293 45.100 -0.021 0.000 0.651 157 G HN 0.606 nan 8.290 nan 0.000 0.511 158 T N 1.188 115.715 114.554 -0.045 0.000 2.869 158 T HA 0.503 4.853 4.350 0.001 0.000 0.295 158 T C 0.470 175.135 174.700 -0.057 0.000 0.987 158 T CA -0.166 61.907 62.100 -0.045 0.000 1.109 158 T CB 2.466 71.315 68.868 -0.032 0.000 0.932 158 T HN 0.419 nan 8.240 nan 0.000 0.518 159 V N 4.717 124.606 119.914 -0.042 0.000 2.383 159 V HA 0.326 4.446 4.120 0.001 0.000 0.275 159 V C 0.236 176.333 176.094 0.005 0.000 1.036 159 V CA -0.430 61.858 62.300 -0.021 0.000 0.889 159 V CB 0.720 32.561 31.823 0.029 0.000 0.985 159 V HN 0.734 nan 8.190 nan 0.000 0.459 160 K N 5.726 126.130 120.400 0.006 0.000 2.450 160 K HA 0.585 4.905 4.320 0.001 0.000 0.257 160 K C -0.941 175.683 176.600 0.039 0.000 0.953 160 K CA -0.569 55.730 56.287 0.019 0.000 0.844 160 K CB 2.011 34.525 32.500 0.024 0.000 1.103 160 K HN 0.521 nan 8.250 nan 0.000 0.429 161 L N 2.283 123.521 121.223 0.025 0.000 2.417 161 L HA 0.543 4.883 4.340 0.001 0.000 0.268 161 L C 0.281 177.293 176.870 0.236 0.000 1.158 161 L CA -0.250 54.625 54.840 0.058 0.000 0.819 161 L CB 1.014 43.023 42.059 -0.082 0.000 1.112 161 L HN 0.737 nan 8.230 nan 0.000 0.458 162 A N 0.791 123.780 122.820 0.281 0.000 2.564 162 A HA 0.503 4.823 4.320 0.001 0.000 0.288 162 A C -0.679 176.972 177.584 0.112 0.000 1.164 162 A CA -0.490 51.661 52.037 0.190 0.000 0.712 162 A CB 1.267 20.244 19.000 -0.038 0.000 1.303 162 A HN 0.816 nan 8.150 nan 0.000 0.418 163 D N -0.528 119.610 120.400 -0.438 0.000 2.699 163 D HA -0.187 4.454 4.640 0.001 0.000 0.239 163 D C 0.292 176.231 176.300 -0.602 0.000 1.136 163 D CA 1.690 55.306 54.000 -0.641 0.000 0.668 163 D CB -1.274 39.284 40.800 -0.403 0.000 1.060 163 D HN 0.570 nan 8.370 nan 0.000 0.429 164 F N -0.995 118.682 119.950 -0.454 0.000 2.293 164 F HA 0.314 4.842 4.527 0.001 0.000 0.272 164 F C 2.215 177.768 175.800 -0.410 0.000 1.053 164 F CA 0.451 58.108 58.000 -0.571 0.000 1.152 164 F CB -0.666 38.244 39.000 -0.151 0.000 1.119 164 F HN -0.049 nan 8.300 nan 0.000 0.564 165 G N 1.675 110.413 108.800 -0.104 0.000 3.581 165 G HA2 0.406 4.367 3.960 0.001 0.000 0.255 165 G HA3 0.406 4.367 3.960 0.001 0.000 0.255 165 G C -0.098 174.697 174.900 -0.175 0.000 1.121 165 G CA -0.234 44.831 45.100 -0.060 0.000 1.739 165 G HN 0.338 nan 8.290 nan 0.000 0.646 166 L N 0.776 121.838 121.223 -0.268 0.000 3.094 166 L HA 0.287 4.628 4.340 0.001 0.000 0.254 166 L C 2.021 178.791 176.870 -0.167 0.000 1.298 166 L CA -0.381 54.267 54.840 -0.320 0.000 1.050 166 L CB 0.648 42.315 42.059 -0.654 0.000 1.420 166 L HN 0.331 nan 8.230 nan 0.000 0.548 167 A N 0.499 123.268 122.820 -0.085 0.000 1.840 167 A HA -0.087 4.234 4.320 0.001 0.000 0.214 167 A C 2.284 179.866 177.584 -0.004 0.000 1.198 167 A CA 1.161 53.177 52.037 -0.035 0.000 0.608 167 A CB -0.154 18.811 19.000 -0.058 0.000 0.839 167 A HN 0.425 nan 8.150 nan 0.000 0.443 168 R N -0.486 120.013 120.500 -0.001 0.000 2.299 168 R HA 0.201 4.541 4.340 0.001 0.000 0.197 168 R C 1.437 177.826 176.300 0.149 0.000 0.971 168 R CA 0.542 56.662 56.100 0.034 0.000 1.030 168 R CB -0.200 30.122 30.300 0.037 0.000 0.932 168 R HN 0.654 nan 8.270 nan 0.000 0.477 169 I N -1.395 119.259 120.570 0.141 0.000 3.030 169 I HA -0.102 4.069 4.170 0.001 0.000 0.270 169 I C 0.792 177.214 176.117 0.508 0.000 1.211 169 I CA 0.705 62.156 61.300 0.252 0.000 1.479 169 I CB 0.111 38.163 38.000 0.086 0.000 1.105 169 I HN 0.070 nan 8.210 nan 0.000 0.447 170 Y N 0.705 121.081 120.300 0.127 0.000 2.507 170 Y HA 0.254 4.804 4.550 0.001 0.000 0.254 170 Y C 2.240 178.161 175.900 0.034 0.000 1.171 170 Y CA -0.717 57.449 58.100 0.111 0.000 1.238 170 Y CB -0.190 38.361 38.460 0.151 0.000 1.148 170 Y HN 0.021 nan 8.280 nan 0.000 0.525 171 S N -1.338 114.437 115.700 0.125 0.000 2.527 171 S HA -0.042 4.428 4.470 0.001 0.000 0.222 171 S C 0.994 175.504 174.600 -0.149 0.000 0.985 171 S CA 0.311 58.465 58.200 -0.076 0.000 0.921 171 S CB -0.245 62.827 63.200 -0.214 0.000 0.772 171 S HN 0.458 nan 8.310 nan 0.000 0.529 172 Y N 1.923 122.253 120.300 0.051 0.000 2.461 172 Y HA 0.285 4.836 4.550 0.001 0.000 0.277 172 Y C 0.746 176.647 175.900 0.002 0.000 1.182 172 Y CA -0.111 58.005 58.100 0.026 0.000 1.276 172 Y CB 0.099 38.581 38.460 0.036 0.000 1.087 172 Y HN 0.234 nan 8.280 nan 0.000 0.519 173 Q N 0.099 119.951 119.800 0.086 0.000 2.416 173 Q HA 0.649 4.989 4.340 0.001 0.000 0.281 173 Q C -1.240 174.740 176.000 -0.032 0.000 1.067 173 Q CA -0.795 55.016 55.803 0.013 0.000 0.809 173 Q CB 2.939 31.652 28.738 -0.042 0.000 1.418 173 Q HN 0.116 nan 8.270 nan 0.000 0.411 174 M N 1.042 120.620 119.600 -0.038 0.000 2.149 174 M HA 0.513 4.994 4.480 0.001 0.000 0.273 174 M C -0.461 175.809 176.300 -0.051 0.000 0.972 174 M CA -0.318 54.954 55.300 -0.046 0.000 0.984 174 M CB 1.921 34.504 32.600 -0.028 0.000 1.699 174 M HN 0.874 nan 8.290 nan 0.000 0.462 175 A N 2.909 125.687 122.820 -0.069 0.000 2.167 175 A HA 0.545 4.865 4.320 0.001 0.000 0.208 175 A C 1.074 178.627 177.584 -0.052 0.000 1.198 175 A CA 0.298 52.297 52.037 -0.063 0.000 0.863 175 A CB 0.485 19.435 19.000 -0.083 0.000 0.904 175 A HN 0.910 nan 8.150 nan 0.000 0.484 176 L N -2.228 118.962 121.223 -0.055 0.000 2.524 176 L HA -0.184 4.157 4.340 0.001 0.000 0.469 176 L C 1.454 178.292 176.870 -0.054 0.000 0.756 176 L CA 0.495 55.309 54.840 -0.045 0.000 2.444 176 L CB -2.342 39.697 42.059 -0.034 0.000 1.151 176 L HN 0.256 nan 8.230 nan 0.000 0.566 177 T N 0.563 115.073 114.554 -0.075 0.000 2.778 177 T HA -0.110 4.241 4.350 0.001 0.000 0.269 177 T C -0.572 174.079 174.700 -0.082 0.000 1.050 177 T CA 1.991 64.038 62.100 -0.088 0.000 1.137 177 T CB -0.617 68.173 68.868 -0.129 0.000 0.860 177 T HN 0.446 nan 8.240 nan 0.000 0.468 178 P HA -0.028 nan 4.420 nan 0.000 0.216 178 P C 1.631 178.905 177.300 -0.043 0.000 1.150 178 P CA 0.780 63.845 63.100 -0.058 0.000 0.837 178 P CB -0.318 31.355 31.700 -0.045 0.000 0.786 179 V N -0.093 119.799 119.914 -0.037 0.000 2.380 179 V HA -0.160 3.960 4.120 0.001 0.000 0.251 179 V C 2.277 178.356 176.094 -0.026 0.000 1.063 179 V CA 1.753 64.039 62.300 -0.024 0.000 1.055 179 V CB -0.874 30.938 31.823 -0.019 0.000 0.657 179 V HN -0.026 nan 8.190 nan 0.000 0.455 180 V N -0.317 119.571 119.914 -0.043 0.000 3.214 180 V HA 0.202 4.323 4.120 0.001 0.000 0.330 180 V C 0.478 176.515 176.094 -0.094 0.000 1.403 180 V CA -0.138 62.129 62.300 -0.055 0.000 1.143 180 V CB 0.764 32.557 31.823 -0.049 0.000 1.098 180 V HN 0.287 nan 8.190 nan 0.000 0.463 181 V N 1.627 121.489 119.914 -0.086 0.000 2.509 181 V HA -0.026 4.095 4.120 0.001 0.000 0.297 181 V C 1.023 177.027 176.094 -0.151 0.000 1.014 181 V CA 0.831 63.070 62.300 -0.102 0.000 1.127 181 V CB 0.397 32.179 31.823 -0.069 0.000 0.925 181 V HN 0.490 nan 8.190 nan 0.000 0.480 182 T N 7.800 122.222 114.554 -0.221 0.000 2.752 182 T HA 0.287 4.638 4.350 0.001 0.000 0.295 182 T C 0.833 175.402 174.700 -0.217 0.000 0.923 182 T CA -0.084 61.758 62.100 -0.429 0.000 1.112 182 T CB -0.002 68.538 68.868 -0.547 0.000 0.884 182 T HN 0.600 nan 8.240 nan 0.000 0.525 183 L N 0.092 121.207 121.223 -0.180 0.000 2.928 183 L HA 0.389 4.729 4.340 0.001 0.000 0.246 183 L C 1.171 178.157 176.870 0.194 0.000 1.239 183 L CA -0.676 54.187 54.840 0.039 0.000 1.035 183 L CB -0.222 41.873 42.059 0.059 0.000 1.360 183 L HN 0.524 nan 8.230 nan 0.000 0.529 184 W N 0.062 121.359 121.300 -0.004 0.000 2.453 184 W HA 0.021 4.682 4.660 0.001 0.000 0.289 184 W C 1.549 178.004 176.519 -0.106 0.000 1.215 184 W CA 0.434 57.691 57.345 -0.146 0.000 1.297 184 W CB -0.868 28.333 29.460 -0.430 0.000 1.113 184 W HN 0.272 nan 8.180 nan 0.000 0.551 185 Y N 0.092 120.647 120.300 0.425 0.000 2.468 185 Y HA 0.238 4.788 4.550 0.001 0.000 0.268 185 Y C 1.334 177.467 175.900 0.389 0.000 1.177 185 Y CA -0.466 57.874 58.100 0.400 0.000 1.265 185 Y CB -0.509 38.125 38.460 0.289 0.000 1.103 185 Y HN -0.442 nan 8.280 nan 0.000 0.522 186 R N 1.568 122.285 120.500 0.361 0.000 2.679 186 R HA 0.328 4.669 4.340 0.001 0.000 0.268 186 R C 0.283 176.570 176.300 -0.023 0.000 1.044 186 R CA 0.057 56.260 56.100 0.173 0.000 1.105 186 R CB 0.530 30.869 30.300 0.066 0.000 0.989 186 R HN 0.226 nan 8.270 nan 0.000 0.447 187 A N 4.816 127.519 122.820 -0.195 0.000 2.340 187 A HA 0.335 4.656 4.320 0.001 0.000 0.268 187 A C -1.494 175.649 177.584 -0.735 0.000 1.100 187 A CA -1.406 50.215 52.037 -0.693 0.000 0.803 187 A CB 0.377 19.167 19.000 -0.350 0.000 1.043 187 A HN 0.408 nan 8.150 nan 0.000 0.488 188 P HA -0.224 nan 4.420 nan 0.000 0.216 188 P C 1.317 178.286 177.300 -0.551 0.000 1.153 188 P CA 1.757 64.399 63.100 -0.765 0.000 0.858 188 P CB 0.114 31.296 31.700 -0.863 0.000 0.789 189 E N -0.192 119.642 120.200 -0.610 0.000 2.110 189 E HA -0.112 4.239 4.350 0.001 0.000 0.193 189 E C 1.938 178.293 176.600 -0.409 0.000 0.988 189 E CA 1.305 57.406 56.400 -0.499 0.000 0.804 189 E CB -1.549 27.856 29.700 -0.491 0.000 0.745 189 E HN 0.103 nan 8.360 nan 0.000 0.458 190 V N 2.112 121.802 119.914 -0.374 0.000 2.295 190 V HA -0.236 3.885 4.120 0.001 0.000 0.246 190 V C 2.746 178.715 176.094 -0.208 0.000 1.049 190 V CA 1.604 63.723 62.300 -0.303 0.000 1.024 190 V CB -0.631 31.098 31.823 -0.157 0.000 0.648 190 V HN 0.176 nan 8.190 nan 0.000 0.447 191 L N -0.694 120.415 121.223 -0.190 0.000 2.127 191 L HA -0.181 4.160 4.340 0.001 0.000 0.211 191 L C 2.247 179.065 176.870 -0.086 0.000 1.089 191 L CA 1.451 56.224 54.840 -0.113 0.000 0.757 191 L CB -0.471 41.516 42.059 -0.121 0.000 0.899 191 L HN 0.320 nan 8.230 nan 0.000 0.434 192 L N -1.309 119.828 121.223 -0.143 0.000 2.446 192 L HA 0.005 4.345 4.340 0.001 0.000 0.219 192 L C 0.823 177.621 176.870 -0.119 0.000 1.116 192 L CA 0.162 54.944 54.840 -0.096 0.000 0.844 192 L CB -0.082 41.892 42.059 -0.143 0.000 0.970 192 L HN 0.325 nan 8.230 nan 0.000 0.457 193 Q N -0.514 119.163 119.800 -0.206 0.000 2.494 193 Q HA -0.237 4.104 4.340 0.001 0.000 0.272 193 Q C 1.452 177.318 176.000 -0.223 0.000 1.145 193 Q CA 0.433 56.094 55.803 -0.236 0.000 0.943 193 Q CB -1.670 27.014 28.738 -0.091 0.000 1.338 193 Q HN 0.694 nan 8.270 nan 0.000 0.492 194 S N -1.351 114.197 115.700 -0.254 0.000 2.326 194 S HA 0.014 4.485 4.470 0.001 0.000 0.211 194 S C 0.866 175.352 174.600 -0.190 0.000 1.031 194 S CA 1.236 59.323 58.200 -0.188 0.000 0.985 194 S CB 0.386 63.462 63.200 -0.207 0.000 0.961 194 S HN 0.262 nan 8.310 nan 0.000 0.436 195 T N 0.778 115.172 114.554 -0.266 0.000 3.041 195 T HA 0.476 4.826 4.350 0.001 0.000 0.321 195 T C -1.907 172.627 174.700 -0.277 0.000 1.184 195 T CA -0.556 61.429 62.100 -0.192 0.000 1.050 195 T CB 1.195 70.016 68.868 -0.079 0.000 1.159 195 T HN 0.271 nan 8.240 nan 0.000 0.469 196 Y N 1.804 122.065 120.300 -0.066 0.000 2.436 196 Y HA 0.589 5.140 4.550 0.001 0.000 0.343 196 Y C 0.724 176.585 175.900 -0.065 0.000 1.008 196 Y CA -0.376 57.686 58.100 -0.062 0.000 1.241 196 Y CB 0.492 38.930 38.460 -0.037 0.000 1.153 196 Y HN 0.837 nan 8.280 nan 0.000 0.521 197 A N 1.641 124.476 122.820 0.025 0.000 2.414 197 A HA 0.580 4.901 4.320 0.001 0.000 0.278 197 A C 0.935 178.525 177.584 0.010 0.000 1.228 197 A CA -0.362 51.661 52.037 -0.023 0.000 0.857 197 A CB 0.483 19.401 19.000 -0.135 0.000 1.389 197 A HN 0.647 nan 8.150 nan 0.000 0.452 198 T N 0.311 114.849 114.554 -0.026 0.000 2.851 198 T HA 0.039 4.390 4.350 0.001 0.000 0.262 198 T C -1.138 173.525 174.700 -0.061 0.000 1.043 198 T CA 1.640 63.733 62.100 -0.011 0.000 1.140 198 T CB -1.265 67.535 68.868 -0.113 0.000 0.872 198 T HN 0.471 nan 8.240 nan 0.000 0.446 199 P HA 0.054 nan 4.420 nan 0.000 0.234 199 P C 1.274 178.574 177.300 0.001 0.000 1.162 199 P CA 0.267 63.314 63.100 -0.087 0.000 0.759 199 P CB -0.425 31.204 31.700 -0.118 0.000 0.813 200 V N 0.098 120.022 119.914 0.017 0.000 2.490 200 V HA -0.231 3.890 4.120 0.001 0.000 0.250 200 V C 2.039 178.233 176.094 0.167 0.000 1.061 200 V CA 1.896 64.231 62.300 0.059 0.000 1.064 200 V CB -0.913 30.944 31.823 0.056 0.000 0.670 200 V HN 0.194 nan 8.190 nan 0.000 0.461 201 D N -0.420 120.094 120.400 0.190 0.000 2.117 201 D HA -0.118 4.523 4.640 0.001 0.000 0.198 201 D C 2.217 178.651 176.300 0.224 0.000 0.982 201 D CA 1.083 55.221 54.000 0.230 0.000 0.828 201 D CB -0.108 40.877 40.800 0.307 0.000 0.967 201 D HN 0.252 nan 8.370 nan 0.000 0.464 202 M N -0.182 119.522 119.600 0.173 0.000 2.202 202 M HA -0.165 4.315 4.480 0.001 0.000 0.262 202 M C 2.049 178.474 176.300 0.207 0.000 1.063 202 M CA 0.794 56.185 55.300 0.153 0.000 1.097 202 M CB -1.073 31.574 32.600 0.078 0.000 1.382 202 M HN 0.340 nan 8.290 nan 0.000 0.413 203 W N 0.917 122.263 121.300 0.077 0.000 2.358 203 W HA -0.149 4.511 4.660 0.001 0.000 0.303 203 W C 1.894 178.519 176.519 0.177 0.000 1.208 203 W CA 1.634 59.038 57.345 0.099 0.000 1.274 203 W CB -0.349 29.140 29.460 0.047 0.000 1.138 203 W HN 0.198 nan 8.180 nan 0.000 0.515 204 S N 0.685 116.629 115.700 0.406 0.000 2.423 204 S HA -0.153 4.318 4.470 0.001 0.000 0.231 204 S C 1.808 176.562 174.600 0.257 0.000 1.014 204 S CA 1.386 59.803 58.200 0.362 0.000 0.965 204 S CB -0.475 62.920 63.200 0.325 0.000 0.785 204 S HN 0.111 nan 8.310 nan 0.000 0.495 205 V N 1.640 121.709 119.914 0.258 0.000 2.427 205 V HA -0.111 4.010 4.120 0.001 0.000 0.248 205 V C 2.578 178.753 176.094 0.134 0.000 1.051 205 V CA 1.845 64.314 62.300 0.281 0.000 1.048 205 V CB -1.416 30.605 31.823 0.330 0.000 0.666 205 V HN 0.575 nan 8.190 nan 0.000 0.456 206 G N -1.048 107.784 108.800 0.053 0.000 2.402 206 G HA2 -0.224 3.736 3.960 0.001 0.000 0.216 206 G HA3 -0.224 3.736 3.960 0.001 0.000 0.216 206 G C 1.700 176.603 174.900 0.005 0.000 1.162 206 G CA 1.220 46.320 45.100 -0.000 0.000 0.777 206 G HN 0.542 nan 8.290 nan 0.000 0.539 207 C N 0.403 119.705 119.300 0.003 0.000 2.425 207 C HA 0.097 4.558 4.460 0.001 0.000 0.277 207 C C 2.768 177.848 174.990 0.151 0.000 1.280 207 C CA 0.336 59.406 59.018 0.087 0.000 1.744 207 C CB -0.881 27.055 27.740 0.327 0.000 1.989 207 C HN 0.451 nan 8.230 nan 0.000 0.491 208 I N -0.430 120.228 120.570 0.147 0.000 2.584 208 I HA -0.076 4.094 4.170 0.001 0.000 0.255 208 I C 2.283 178.403 176.117 0.005 0.000 1.145 208 I CA 1.014 62.336 61.300 0.038 0.000 1.462 208 I CB -0.458 37.443 38.000 -0.165 0.000 1.102 208 I HN 0.223 nan 8.210 nan 0.000 0.433 209 F N 2.286 122.173 119.950 -0.106 0.000 2.216 209 F HA -0.129 4.398 4.527 0.001 0.000 0.300 209 F C 2.321 178.158 175.800 0.061 0.000 1.085 209 F CA 1.185 59.157 58.000 -0.047 0.000 1.326 209 F CB -0.260 38.720 39.000 -0.034 0.000 1.027 209 F HN -0.014 nan 8.300 nan 0.000 0.497 210 A N -0.402 122.334 122.820 -0.140 0.000 1.970 210 A HA -0.107 4.214 4.320 0.001 0.000 0.216 210 A C 2.157 179.665 177.584 -0.127 0.000 1.170 210 A CA 1.194 53.103 52.037 -0.213 0.000 0.645 210 A CB -0.807 18.067 19.000 -0.208 0.000 0.816 210 A HN 0.504 nan 8.150 nan 0.000 0.447 211 E N -0.600 119.550 120.200 -0.083 0.000 2.347 211 E HA -0.059 4.292 4.350 0.001 0.000 0.196 211 E C 1.755 178.302 176.600 -0.087 0.000 1.008 211 E CA 0.552 56.919 56.400 -0.055 0.000 0.852 211 E CB -0.169 29.549 29.700 0.030 0.000 0.783 211 E HN 0.661 nan 8.360 nan 0.000 0.505 212 M N -0.738 118.771 119.600 -0.152 0.000 2.319 212 M HA -0.034 4.446 4.480 0.001 0.000 0.265 212 M C 0.577 176.614 176.300 -0.439 0.000 1.068 212 M CA 0.983 56.111 55.300 -0.287 0.000 1.118 212 M CB 0.247 32.627 32.600 -0.367 0.000 1.395 212 M HN 0.104 nan 8.290 nan 0.000 0.435 213 F N -0.942 118.882 119.950 -0.210 0.000 2.641 213 F HA 0.225 4.753 4.527 0.001 0.000 0.302 213 F C 1.696 177.406 175.800 -0.150 0.000 1.098 213 F CA 0.060 57.950 58.000 -0.184 0.000 1.318 213 F CB 0.104 38.950 39.000 -0.256 0.000 1.035 213 F HN -0.051 nan 8.300 nan 0.000 0.551 214 R N -1.005 119.482 120.500 -0.021 0.000 2.551 214 R HA 0.269 4.610 4.340 0.001 0.000 0.202 214 R C 0.616 176.884 176.300 -0.052 0.000 0.861 214 R CA -0.303 55.771 56.100 -0.043 0.000 1.018 214 R CB 0.395 30.650 30.300 -0.075 0.000 1.435 214 R HN -0.141 nan 8.270 nan 0.000 0.659 215 R N 0.948 121.415 120.500 -0.055 0.000 3.651 215 R HA -0.168 4.173 4.340 0.001 0.000 0.292 215 R C -0.888 175.393 176.300 -0.031 0.000 1.161 215 R CA 1.063 57.139 56.100 -0.041 0.000 0.787 215 R CB -1.202 29.071 30.300 -0.044 0.000 1.249 215 R HN 0.121 nan 8.270 nan 0.000 0.476 216 K N -0.043 120.332 120.400 -0.042 0.000 2.579 216 K HA 0.248 4.569 4.320 0.001 0.000 0.257 216 K C -2.834 173.708 176.600 -0.096 0.000 0.950 216 K CA -1.791 54.461 56.287 -0.057 0.000 0.862 216 K CB 1.609 34.062 32.500 -0.078 0.000 1.317 216 K HN -0.316 nan 8.250 nan 0.000 0.436 217 P HA -0.162 nan 4.420 nan 0.000 0.267 217 P C 0.288 177.419 177.300 -0.282 0.000 1.175 217 P CA -0.021 62.987 63.100 -0.154 0.000 0.763 217 P CB 0.481 32.002 31.700 -0.299 0.000 0.795 218 L N 3.459 124.473 121.223 -0.347 0.000 2.034 218 L HA 0.153 4.493 4.340 0.001 0.000 0.203 218 L C 0.497 176.948 176.870 -0.698 0.000 1.074 218 L CA 1.771 56.255 54.840 -0.595 0.000 0.748 218 L CB -0.453 41.103 42.059 -0.838 0.000 0.905 218 L HN 0.182 nan 8.230 nan 0.000 0.439 219 F N -1.237 118.588 119.950 -0.209 0.000 2.450 219 F HA 0.450 4.977 4.527 0.001 0.000 0.332 219 F C -0.068 175.460 175.800 -0.452 0.000 1.093 219 F CA -1.032 56.840 58.000 -0.213 0.000 1.003 219 F CB 1.026 39.987 39.000 -0.066 0.000 1.151 219 F HN -0.284 nan 8.300 nan 0.000 0.474 220 C N 2.337 121.472 119.300 -0.276 0.000 2.660 220 C HA 0.699 5.159 4.460 0.001 0.000 0.336 220 C C 0.362 175.250 174.990 -0.169 0.000 1.058 220 C CA -1.039 57.588 59.018 -0.652 0.000 1.368 220 C CB 0.308 27.584 27.740 -0.772 0.000 1.884 220 C HN 1.037 nan 8.230 nan 0.000 0.454 221 G N 2.058 110.906 108.800 0.079 0.000 2.416 221 G HA2 0.375 4.335 3.960 0.001 0.000 0.329 221 G HA3 0.375 4.335 3.960 0.001 0.000 0.329 221 G C 0.502 175.539 174.900 0.228 0.000 1.173 221 G CA -0.105 45.090 45.100 0.158 0.000 0.929 221 G HN 0.581 nan 8.290 nan 0.000 0.475 222 N N 0.441 119.232 118.700 0.152 0.000 2.062 222 N HA -0.095 4.646 4.740 0.001 0.000 0.191 222 N C 1.640 177.225 175.510 0.125 0.000 1.042 222 N CA 1.708 54.842 53.050 0.140 0.000 0.845 222 N CB 0.074 38.618 38.487 0.095 0.000 1.024 222 N HN 0.581 nan 8.380 nan 0.000 0.424 223 S N -1.423 114.339 115.700 0.105 0.000 2.786 223 S HA 0.375 4.846 4.470 0.001 0.000 0.302 223 S C 0.926 175.580 174.600 0.091 0.000 1.080 223 S CA -0.660 57.592 58.200 0.086 0.000 0.925 223 S CB 0.826 64.067 63.200 0.068 0.000 1.325 223 S HN 0.213 nan 8.310 nan 0.000 0.576 224 E N 0.616 120.861 120.200 0.076 0.000 2.046 224 E HA -0.022 4.329 4.350 0.001 0.000 0.190 224 E C 2.327 178.990 176.600 0.104 0.000 0.982 224 E CA 1.049 57.493 56.400 0.073 0.000 0.800 224 E CB -0.500 29.236 29.700 0.059 0.000 0.756 224 E HN 0.684 nan 8.360 nan 0.000 0.449 225 A N 1.671 124.566 122.820 0.124 0.000 1.940 225 A HA -0.247 4.073 4.320 0.001 0.000 0.219 225 A C 1.904 179.614 177.584 0.210 0.000 1.176 225 A CA 1.933 54.082 52.037 0.187 0.000 0.631 225 A CB -0.461 18.614 19.000 0.124 0.000 0.814 225 A HN 0.178 nan 8.150 nan 0.000 0.446 226 D N -1.168 119.317 120.400 0.143 0.000 2.178 226 D HA -0.156 4.485 4.640 0.001 0.000 0.202 226 D C 2.035 178.402 176.300 0.112 0.000 0.974 226 D CA 1.431 55.511 54.000 0.133 0.000 0.841 226 D CB -0.143 40.721 40.800 0.106 0.000 0.953 226 D HN 0.422 nan 8.370 nan 0.000 0.478 227 Q N -0.357 119.496 119.800 0.089 0.000 2.084 227 Q HA -0.067 4.274 4.340 0.001 0.000 0.202 227 Q C 1.992 177.929 176.000 -0.105 0.000 0.978 227 Q CA 1.008 56.829 55.803 0.031 0.000 0.844 227 Q CB -0.290 28.476 28.738 0.046 0.000 0.898 227 Q HN 0.245 nan 8.270 nan 0.000 0.426 228 L N -0.438 120.730 121.223 -0.093 0.000 2.046 228 L HA -0.042 4.299 4.340 0.001 0.000 0.208 228 L C 2.265 178.946 176.870 -0.314 0.000 1.077 228 L CA 1.948 56.573 54.840 -0.358 0.000 0.747 228 L CB -1.964 40.039 42.059 -0.093 0.000 0.896 228 L HN 0.455 nan 8.230 nan 0.000 0.432 229 G N -0.042 108.840 108.800 0.136 0.000 2.469 229 G HA2 -0.267 3.694 3.960 0.001 0.000 0.219 229 G HA3 -0.267 3.694 3.960 0.001 0.000 0.219 229 G C 1.709 176.673 174.900 0.107 0.000 1.150 229 G CA 0.430 45.685 45.100 0.259 0.000 0.763 229 G HN 0.260 nan 8.290 nan 0.000 0.561 230 K N 0.192 120.615 120.400 0.039 0.000 2.148 230 K HA 0.090 4.410 4.320 0.001 0.000 0.204 230 K C 2.412 179.035 176.600 0.038 0.000 1.050 230 K CA 0.517 56.856 56.287 0.085 0.000 0.942 230 K CB -0.249 32.334 32.500 0.140 0.000 0.724 230 K HN 0.431 nan 8.250 nan 0.000 0.446 231 I N -0.163 120.220 120.570 -0.311 0.000 2.277 231 I HA -0.193 3.977 4.170 0.001 0.000 0.243 231 I C 1.820 177.815 176.117 -0.203 0.000 1.094 231 I CA 0.937 61.913 61.300 -0.540 0.000 1.393 231 I CB -0.289 37.224 38.000 -0.812 0.000 1.078 231 I HN -0.082 nan 8.210 nan 0.000 0.417 232 F N 0.862 120.767 119.950 -0.075 0.000 2.365 232 F HA -0.172 4.356 4.527 0.001 0.000 0.300 232 F C 1.978 177.787 175.800 0.015 0.000 1.090 232 F CA 0.894 58.856 58.000 -0.064 0.000 1.408 232 F CB -0.783 38.103 39.000 -0.191 0.000 1.060 232 F HN 0.102 nan 8.300 nan 0.000 0.534 233 D N -0.291 120.228 120.400 0.198 0.000 2.363 233 D HA 0.020 4.660 4.640 0.001 0.000 0.226 233 D C 2.048 178.434 176.300 0.143 0.000 1.020 233 D CA 0.692 54.787 54.000 0.159 0.000 0.892 233 D CB 0.251 41.135 40.800 0.139 0.000 0.900 233 D HN 0.302 nan 8.370 nan 0.000 0.531 234 L N -0.416 120.911 121.223 0.173 0.000 2.588 234 L HA 0.188 4.529 4.340 0.001 0.000 0.194 234 L C 2.241 179.199 176.870 0.146 0.000 1.070 234 L CA 0.159 55.095 54.840 0.159 0.000 0.852 234 L CB -0.094 42.100 42.059 0.224 0.000 1.199 234 L HN -0.100 nan 8.230 nan 0.000 0.486 235 I N -1.318 119.363 120.570 0.185 0.000 3.059 235 I HA 0.349 4.520 4.170 0.001 0.000 0.270 235 I C 0.899 177.111 176.117 0.159 0.000 1.238 235 I CA 0.589 61.995 61.300 0.176 0.000 1.478 235 I CB -0.472 37.672 38.000 0.240 0.000 1.097 235 I HN 0.236 nan 8.210 nan 0.000 0.455 236 G N 1.928 110.828 108.800 0.167 0.000 2.692 236 G HA2 -0.146 3.814 3.960 0.001 0.000 0.686 236 G HA3 -0.146 3.814 3.960 0.001 0.000 0.686 236 G C -1.023 173.941 174.900 0.107 0.000 1.243 236 G CA -0.427 44.744 45.100 0.119 0.000 0.782 236 G HN 0.340 nan 8.290 nan 0.000 0.625 237 L N 2.791 124.008 121.223 -0.010 0.000 2.462 237 L HA 0.519 4.860 4.340 0.001 0.000 0.272 237 L C -1.247 175.536 176.870 -0.145 0.000 1.166 237 L CA -0.854 53.871 54.840 -0.192 0.000 0.880 237 L CB 0.205 42.112 42.059 -0.252 0.000 1.142 237 L HN 0.524 nan 8.230 nan 0.000 0.473 238 P HA 0.274 nan 4.420 nan 0.000 0.270 238 P C -2.498 174.773 177.300 -0.049 0.000 1.223 238 P CA -0.556 62.459 63.100 -0.143 0.000 0.785 238 P CB -0.376 31.042 31.700 -0.470 0.000 0.923 239 P HA 0.192 nan 4.420 nan 0.000 0.275 239 P C 0.984 178.321 177.300 0.062 0.000 1.266 239 P CA 0.631 63.747 63.100 0.027 0.000 0.793 239 P CB -0.054 31.675 31.700 0.050 0.000 1.074 240 E N -0.925 119.293 120.200 0.030 0.000 2.106 240 E HA -0.088 4.263 4.350 0.001 0.000 0.192 240 E C 1.915 178.576 176.600 0.102 0.000 0.984 240 E CA 2.189 58.613 56.400 0.041 0.000 0.806 240 E CB -1.650 28.049 29.700 -0.002 0.000 0.750 240 E HN 0.715 nan 8.360 nan 0.000 0.458 241 D N 0.361 120.813 120.400 0.086 0.000 2.317 241 D HA -0.088 4.553 4.640 0.001 0.000 0.211 241 D C 1.706 178.081 176.300 0.127 0.000 0.966 241 D CA 0.865 54.918 54.000 0.088 0.000 0.876 241 D CB -0.293 40.541 40.800 0.057 0.000 0.927 241 D HN 0.386 nan 8.370 nan 0.000 0.519 242 D N -1.587 118.917 120.400 0.173 0.000 2.346 242 D HA 0.022 4.662 4.640 0.001 0.000 0.206 242 D C 0.269 176.783 176.300 0.357 0.000 1.001 242 D CA -0.261 53.883 54.000 0.240 0.000 0.871 242 D CB 0.013 40.961 40.800 0.247 0.000 0.943 242 D HN 0.554 nan 8.370 nan 0.000 0.518 243 W N 3.020 124.400 121.300 0.134 0.000 2.311 243 W HA 0.199 4.860 4.660 0.001 0.000 0.310 243 W C -2.281 174.325 176.519 0.144 0.000 1.274 243 W CA -1.620 55.825 57.345 0.167 0.000 1.215 243 W CB 0.786 30.261 29.460 0.024 0.000 1.227 243 W HN -0.130 nan 8.180 nan 0.000 0.523 244 P HA 0.157 nan 4.420 nan 0.000 0.272 244 P C -0.880 176.515 177.300 0.158 0.000 1.254 244 P CA 0.056 63.178 63.100 0.035 0.000 0.795 244 P CB 0.639 32.269 31.700 -0.117 0.000 1.022 245 R N 0.332 120.894 120.500 0.104 0.000 2.668 245 R HA 0.423 4.764 4.340 0.001 0.000 0.279 245 R C -0.778 175.572 176.300 0.084 0.000 0.976 245 R CA -0.417 55.752 56.100 0.115 0.000 0.978 245 R CB 0.033 30.381 30.300 0.081 0.000 1.133 245 R HN 0.416 nan 8.270 nan 0.000 0.484 246 D N -0.020 120.434 120.400 0.090 0.000 2.990 246 D HA -0.122 4.519 4.640 0.001 0.000 0.245 246 D C -0.846 175.494 176.300 0.066 0.000 1.120 246 D CA 1.041 55.081 54.000 0.067 0.000 0.838 246 D CB -1.080 39.747 40.800 0.045 0.000 1.000 246 D HN 0.255 nan 8.370 nan 0.000 0.420 247 V N -2.602 117.373 119.914 0.102 0.000 3.141 247 V HA 0.775 4.896 4.120 0.001 0.000 0.312 247 V C 1.423 177.586 176.094 0.116 0.000 1.157 247 V CA 0.047 62.406 62.300 0.100 0.000 1.041 247 V CB 1.991 33.890 31.823 0.127 0.000 1.071 247 V HN 0.087 nan 8.190 nan 0.000 0.441 248 S N 1.542 117.303 115.700 0.103 0.000 2.377 248 S HA 0.224 4.694 4.470 0.001 0.000 0.223 248 S C 0.647 175.325 174.600 0.130 0.000 1.030 248 S CA 0.479 58.736 58.200 0.095 0.000 0.970 248 S CB -0.586 62.657 63.200 0.072 0.000 0.830 248 S HN 0.633 nan 8.310 nan 0.000 0.473 249 L N 3.755 125.096 121.223 0.198 0.000 2.264 249 L HA 0.509 4.849 4.340 0.001 0.000 0.289 249 L C -2.357 174.746 176.870 0.389 0.000 1.044 249 L CA -2.236 52.765 54.840 0.267 0.000 0.807 249 L CB 1.235 43.507 42.059 0.355 0.000 1.192 249 L HN 0.167 nan 8.230 nan 0.000 0.425 250 P HA 0.201 nan 4.420 nan 0.000 0.281 250 P C -0.056 177.168 177.300 -0.127 0.000 1.264 250 P CA -0.767 62.380 63.100 0.079 0.000 0.824 250 P CB 1.294 32.970 31.700 -0.040 0.000 1.092 251 R N 0.801 120.831 120.500 -0.783 0.000 2.148 251 R HA -0.023 4.318 4.340 0.001 0.000 0.223 251 R C 1.949 177.939 176.300 -0.515 0.000 1.088 251 R CA 1.564 56.901 56.100 -1.271 0.000 0.985 251 R CB -1.037 28.204 30.300 -1.765 0.000 0.880 251 R HN 0.683 nan 8.270 nan 0.000 0.451 252 G N -0.429 108.159 108.800 -0.353 0.000 2.679 252 G HA2 -0.107 3.853 3.960 0.001 0.000 0.212 252 G HA3 -0.107 3.853 3.960 0.001 0.000 0.212 252 G C 1.157 175.940 174.900 -0.196 0.000 1.137 252 G CA 0.436 45.398 45.100 -0.229 0.000 0.787 252 G HN 0.388 nan 8.290 nan 0.000 0.534 253 A N -0.382 122.298 122.820 -0.233 0.000 2.235 253 A HA 0.554 4.875 4.320 0.001 0.000 0.208 253 A C 0.023 177.211 177.584 -0.659 0.000 1.172 253 A CA 0.020 51.810 52.037 -0.411 0.000 0.786 253 A CB -0.175 18.538 19.000 -0.478 0.000 0.804 253 A HN 0.199 nan 8.150 nan 0.000 0.479 254 F N -0.900 118.965 119.950 -0.142 0.000 2.563 254 F HA 0.510 5.038 4.527 0.001 0.000 0.316 254 F C -2.567 173.151 175.800 -0.137 0.000 1.076 254 F CA -2.793 55.139 58.000 -0.114 0.000 0.921 254 F CB 1.409 40.307 39.000 -0.170 0.000 1.209 254 F HN -0.181 nan 8.300 nan 0.000 0.462 255 P HA 0.232 nan 4.420 nan 0.000 0.276 255 P C -2.645 174.660 177.300 0.008 0.000 1.230 255 P CA -1.343 61.775 63.100 0.030 0.000 0.776 255 P CB 0.038 31.765 31.700 0.045 0.000 0.888 256 P HA 0.101 nan 4.420 nan 0.000 0.260 256 P C -0.293 176.995 177.300 -0.019 0.000 1.207 256 P CA 0.414 63.483 63.100 -0.052 0.000 0.780 256 P CB 0.294 31.962 31.700 -0.054 0.000 0.789 257 R N 2.282 122.773 120.500 -0.015 0.000 2.664 257 R HA 0.713 5.053 4.340 0.001 0.000 0.286 257 R C 0.612 176.924 176.300 0.019 0.000 0.967 257 R CA -0.739 55.374 56.100 0.023 0.000 0.933 257 R CB 1.700 32.040 30.300 0.067 0.000 1.146 257 R HN 0.453 nan 8.270 nan 0.000 0.468 258 G N 1.534 110.351 108.800 0.029 0.000 2.471 258 G HA2 0.551 4.512 3.960 0.001 0.000 0.332 258 G HA3 0.551 4.512 3.960 0.001 0.000 0.332 258 G C -2.503 172.424 174.900 0.045 0.000 1.176 258 G CA -1.427 43.691 45.100 0.029 0.000 0.949 258 G HN 0.224 nan 8.290 nan 0.000 0.488 259 P HA 0.173 nan 4.420 nan 0.000 0.264 259 P C -0.088 177.237 177.300 0.041 0.000 1.193 259 P CA 0.201 63.333 63.100 0.053 0.000 0.763 259 P CB 0.594 32.322 31.700 0.047 0.000 0.810 260 R N 3.837 124.364 120.500 0.045 0.000 2.643 260 R HA 0.475 4.815 4.340 0.001 0.000 0.272 260 R C -2.142 174.168 176.300 0.015 0.000 0.995 260 R CA -1.944 54.174 56.100 0.029 0.000 1.032 260 R CB 0.085 30.405 30.300 0.033 0.000 1.126 260 R HN 0.329 nan 8.270 nan 0.000 0.505 261 P HA -0.050 nan 4.420 nan 0.000 0.263 261 P C 0.444 177.729 177.300 -0.025 0.000 1.195 261 P CA 0.079 63.172 63.100 -0.011 0.000 0.762 261 P CB 0.610 32.301 31.700 -0.015 0.000 0.799 262 V N 3.423 123.316 119.914 -0.035 0.000 2.379 262 V HA -0.207 3.913 4.120 0.001 0.000 0.245 262 V C 2.071 178.110 176.094 -0.091 0.000 1.044 262 V CA 1.647 63.911 62.300 -0.059 0.000 1.036 262 V CB -0.989 30.797 31.823 -0.062 0.000 0.664 262 V HN 0.563 nan 8.190 nan 0.000 0.453 263 Q N -0.390 119.356 119.800 -0.090 0.000 2.369 263 Q HA -0.100 4.241 4.340 0.001 0.000 0.206 263 Q C 2.417 178.362 176.000 -0.090 0.000 0.963 263 Q CA 1.261 56.997 55.803 -0.111 0.000 0.894 263 Q CB -0.125 28.554 28.738 -0.098 0.000 0.965 263 Q HN 0.595 nan 8.270 nan 0.000 0.475 264 S N -0.263 115.397 115.700 -0.067 0.000 2.387 264 S HA -0.073 4.398 4.470 0.001 0.000 0.226 264 S C 1.875 176.437 174.600 -0.064 0.000 1.026 264 S CA 0.654 58.821 58.200 -0.055 0.000 0.972 264 S CB 0.129 63.307 63.200 -0.037 0.000 0.814 264 S HN 0.194 nan 8.310 nan 0.000 0.477 265 V N 0.952 120.821 119.914 -0.075 0.000 2.488 265 V HA 0.121 4.241 4.120 0.001 0.000 0.246 265 V C 0.525 176.550 176.094 -0.116 0.000 1.046 265 V CA 0.816 63.062 62.300 -0.090 0.000 1.053 265 V CB 0.041 31.807 31.823 -0.096 0.000 0.679 265 V HN 0.350 nan 8.190 nan 0.000 0.458 266 V N 2.319 122.153 119.914 -0.134 0.000 2.327 266 V HA 0.373 4.494 4.120 0.001 0.000 0.272 266 V C -2.535 173.460 176.094 -0.165 0.000 1.019 266 V CA -1.708 60.499 62.300 -0.156 0.000 0.814 266 V CB 1.039 32.735 31.823 -0.213 0.000 1.040 266 V HN 0.294 nan 8.190 nan 0.000 0.440 267 P HA 0.225 nan 4.420 nan 0.000 0.273 267 P C 0.239 177.469 177.300 -0.117 0.000 1.250 267 P CA -0.060 62.981 63.100 -0.097 0.000 0.793 267 P CB 0.329 31.998 31.700 -0.053 0.000 1.011 268 E N -1.998 118.143 120.200 -0.097 0.000 2.553 268 E HA -0.163 4.188 4.350 0.001 0.000 0.264 268 E C -0.560 175.869 176.600 -0.285 0.000 1.068 268 E CA 0.208 56.561 56.400 -0.077 0.000 0.774 268 E CB -1.074 28.670 29.700 0.072 0.000 1.349 268 E HN 0.367 nan 8.360 nan 0.000 0.404 269 M N 0.768 120.168 119.600 -0.334 0.000 2.294 269 M HA 0.309 4.789 4.480 0.001 0.000 0.335 269 M C 0.599 176.779 176.300 -0.200 0.000 1.079 269 M CA -0.108 54.919 55.300 -0.454 0.000 0.982 269 M CB 1.403 33.723 32.600 -0.468 0.000 1.651 269 M HN 0.017 nan 8.290 nan 0.000 0.437 270 E N 1.324 121.463 120.200 -0.102 0.000 2.405 270 E HA 0.071 4.422 4.350 0.001 0.000 0.253 270 E C 0.770 177.384 176.600 0.023 0.000 1.257 270 E CA -0.582 55.842 56.400 0.040 0.000 0.960 270 E CB 1.026 30.858 29.700 0.220 0.000 1.077 270 E HN 0.482 nan 8.360 nan 0.000 0.512 271 E N 0.400 120.639 120.200 0.065 0.000 2.033 271 E HA -0.179 4.172 4.350 0.001 0.000 0.199 271 E C 1.956 178.601 176.600 0.076 0.000 1.011 271 E CA 1.563 57.995 56.400 0.055 0.000 0.815 271 E CB -0.276 29.460 29.700 0.061 0.000 0.755 271 E HN 0.269 nan 8.360 nan 0.000 0.451 272 S N -0.012 115.787 115.700 0.165 0.000 2.522 272 S HA 0.015 4.485 4.470 0.001 0.000 0.227 272 S C 1.800 176.435 174.600 0.058 0.000 0.986 272 S CA 0.594 58.941 58.200 0.246 0.000 0.929 272 S CB 0.056 63.491 63.200 0.392 0.000 0.769 272 S HN 0.420 nan 8.310 nan 0.000 0.529 273 G N 1.549 110.253 108.800 -0.160 0.000 2.394 273 G HA2 0.020 3.981 3.960 0.001 0.000 0.215 273 G HA3 0.020 3.981 3.960 0.001 0.000 0.215 273 G C 1.497 176.234 174.900 -0.271 0.000 1.165 273 G CA 0.707 45.458 45.100 -0.582 0.000 0.784 273 G HN 0.544 nan 8.290 nan 0.000 0.535 274 A N 0.465 123.187 122.820 -0.164 0.000 1.897 274 A HA 0.011 4.331 4.320 0.001 0.000 0.215 274 A C 2.287 179.825 177.584 -0.076 0.000 1.181 274 A CA 1.617 53.584 52.037 -0.116 0.000 0.620 274 A CB -0.361 18.585 19.000 -0.090 0.000 0.821 274 A HN 0.412 nan 8.150 nan 0.000 0.443 275 Q N -1.085 118.690 119.800 -0.042 0.000 2.291 275 Q HA -0.106 4.234 4.340 0.001 0.000 0.206 275 Q C 1.910 177.867 176.000 -0.071 0.000 0.976 275 Q CA 1.179 56.979 55.803 -0.006 0.000 0.875 275 Q CB -0.229 28.556 28.738 0.077 0.000 0.927 275 Q HN 0.589 nan 8.270 nan 0.000 0.450 276 L N 0.004 121.108 121.223 -0.199 0.000 2.095 276 L HA -0.071 4.270 4.340 0.001 0.000 0.204 276 L C 1.890 178.633 176.870 -0.210 0.000 1.080 276 L CA 1.120 55.735 54.840 -0.376 0.000 0.759 276 L CB -0.307 41.385 42.059 -0.610 0.000 0.914 276 L HN 0.154 nan 8.230 nan 0.000 0.439 277 L N -0.857 120.297 121.223 -0.115 0.000 2.141 277 L HA -0.127 4.214 4.340 0.001 0.000 0.209 277 L C 2.233 179.073 176.870 -0.050 0.000 1.094 277 L CA 1.581 56.397 54.840 -0.041 0.000 0.763 277 L CB -0.517 41.548 42.059 0.010 0.000 0.908 277 L HN 0.266 nan 8.230 nan 0.000 0.437 278 L N -0.899 120.301 121.223 -0.040 0.000 2.046 278 L HA -0.224 4.116 4.340 0.001 0.000 0.208 278 L C 2.333 179.210 176.870 0.012 0.000 1.077 278 L CA 1.497 56.334 54.840 -0.004 0.000 0.747 278 L CB -0.395 41.669 42.059 0.007 0.000 0.896 278 L HN 0.346 nan 8.230 nan 0.000 0.432 279 E N -0.915 119.278 120.200 -0.013 0.000 2.285 279 E HA -0.126 4.225 4.350 0.001 0.000 0.194 279 E C 2.269 178.870 176.600 0.001 0.000 0.997 279 E CA 0.632 57.034 56.400 0.004 0.000 0.845 279 E CB 0.051 29.742 29.700 -0.015 0.000 0.782 279 E HN 0.442 nan 8.360 nan 0.000 0.491 280 M N 0.270 119.846 119.600 -0.039 0.000 2.123 280 M HA -0.041 4.439 4.480 0.001 0.000 0.263 280 M C 1.566 177.844 176.300 -0.037 0.000 1.069 280 M CA 1.180 56.455 55.300 -0.043 0.000 1.133 280 M CB -0.183 32.369 32.600 -0.080 0.000 1.356 280 M HN 0.110 nan 8.290 nan 0.000 0.415 281 L N 0.945 122.111 121.223 -0.095 0.000 3.001 281 L HA 0.123 4.464 4.340 0.001 0.000 0.234 281 L C -0.096 176.886 176.870 0.188 0.000 1.321 281 L CA -0.424 54.275 54.840 -0.235 0.000 1.138 281 L CB -0.599 41.221 42.059 -0.398 0.000 1.503 281 L HN 0.084 nan 8.230 nan 0.000 0.487 282 T N -0.501 114.208 114.554 0.259 0.000 2.884 282 T HA 0.003 4.353 4.350 0.001 0.000 0.298 282 T C 0.819 175.761 174.700 0.404 0.000 0.998 282 T CA -0.235 62.043 62.100 0.298 0.000 1.124 282 T CB 1.253 70.230 68.868 0.182 0.000 0.931 282 T HN 0.174 nan 8.240 nan 0.000 0.531 283 F N 3.178 123.266 119.950 0.230 0.000 2.102 283 F HA -0.023 4.505 4.527 0.001 0.000 0.298 283 F C 1.219 177.019 175.800 0.000 0.000 1.105 283 F CA 0.850 58.903 58.000 0.088 0.000 1.239 283 F CB -0.077 38.975 39.000 0.088 0.000 0.991 283 F HN 0.462 nan 8.300 nan 0.000 0.474 284 N N 1.343 120.100 118.700 0.095 0.000 2.431 284 N HA 0.107 4.848 4.740 0.001 0.000 0.265 284 N C -2.078 173.403 175.510 -0.049 0.000 1.184 284 N CA -1.861 51.183 53.050 -0.009 0.000 0.943 284 N CB 1.095 39.687 38.487 0.175 0.000 1.080 284 N HN -0.045 nan 8.380 nan 0.000 0.477 285 P HA -0.135 nan 4.420 nan 0.000 0.220 285 P C 0.597 177.770 177.300 -0.212 0.000 1.148 285 P CA 1.278 64.237 63.100 -0.236 0.000 0.803 285 P CB 0.094 31.562 31.700 -0.388 0.000 0.782 286 H N -0.474 118.567 119.070 -0.049 0.000 2.428 286 H HA 0.082 4.638 4.556 0.001 0.000 0.296 286 H C 1.480 176.809 175.328 0.001 0.000 1.062 286 H CA 1.055 57.090 56.048 -0.022 0.000 1.350 286 H CB -0.015 29.738 29.762 -0.016 0.000 1.403 286 H HN 0.254 nan 8.280 nan 0.000 0.533 287 K N 0.857 121.337 120.400 0.133 0.000 2.379 287 K HA 0.056 4.376 4.320 0.001 0.000 0.194 287 K C 1.012 177.656 176.600 0.074 0.000 1.031 287 K CA -0.201 56.147 56.287 0.100 0.000 1.037 287 K CB 0.635 33.202 32.500 0.112 0.000 0.824 287 K HN -0.002 nan 8.250 nan 0.000 0.516 288 R N 2.302 122.835 120.500 0.054 0.000 2.370 288 R HA 0.050 4.391 4.340 0.001 0.000 0.309 288 R C -0.262 176.053 176.300 0.025 0.000 1.059 288 R CA -0.372 55.758 56.100 0.049 0.000 0.981 288 R CB 0.198 30.527 30.300 0.049 0.000 0.972 288 R HN -0.014 nan 8.270 nan 0.000 0.437 289 I N 1.885 122.472 120.570 0.028 0.000 2.634 289 I HA 0.156 4.327 4.170 0.001 0.000 0.284 289 I C 0.522 176.642 176.117 0.004 0.000 1.124 289 I CA -0.134 61.179 61.300 0.021 0.000 1.417 289 I CB 1.125 39.139 38.000 0.024 0.000 1.396 289 I HN 0.559 nan 8.210 nan 0.000 0.571 290 S N 4.148 119.851 115.700 0.006 0.000 2.641 290 S HA 0.597 5.067 4.470 0.001 0.000 0.261 290 S C 1.255 175.863 174.600 0.013 0.000 1.257 290 S CA -0.232 57.955 58.200 -0.021 0.000 0.983 290 S CB 0.723 63.913 63.200 -0.017 0.000 0.990 290 S HN 1.041 nan 8.310 nan 0.000 0.572 291 A N -0.130 122.697 122.820 0.011 0.000 2.014 291 A HA 0.111 4.432 4.320 0.001 0.000 0.218 291 A C 1.766 179.406 177.584 0.093 0.000 1.163 291 A CA 0.878 52.947 52.037 0.052 0.000 0.652 291 A CB -1.000 18.048 19.000 0.080 0.000 0.808 291 A HN 0.836 nan 8.150 nan 0.000 0.449 292 F N 0.612 120.553 119.950 -0.015 0.000 2.146 292 F HA -0.075 4.452 4.527 0.001 0.000 0.298 292 F C 2.372 178.180 175.800 0.013 0.000 1.096 292 F CA 1.602 59.603 58.000 0.001 0.000 1.275 292 F CB -0.107 38.889 39.000 -0.008 0.000 1.008 292 F HN 0.090 nan 8.300 nan 0.000 0.480 293 R N -0.170 120.384 120.500 0.091 0.000 2.090 293 R HA -0.020 4.321 4.340 0.001 0.000 0.228 293 R C 2.370 178.664 176.300 -0.010 0.000 1.110 293 R CA 1.002 57.114 56.100 0.021 0.000 0.973 293 R CB -0.694 29.659 30.300 0.089 0.000 0.869 293 R HN 0.348 nan 8.270 nan 0.000 0.440 294 A N 1.000 123.815 122.820 -0.009 0.000 2.015 294 A HA -0.114 4.207 4.320 0.001 0.000 0.219 294 A C 1.995 179.567 177.584 -0.019 0.000 1.163 294 A CA 0.820 52.840 52.037 -0.028 0.000 0.646 294 A CB -0.242 18.724 19.000 -0.057 0.000 0.806 294 A HN 0.184 nan 8.150 nan 0.000 0.448 295 L N -0.439 120.747 121.223 -0.061 0.000 2.156 295 L HA -0.046 4.295 4.340 0.001 0.000 0.208 295 L C 1.462 178.279 176.870 -0.089 0.000 1.095 295 L CA 1.637 56.432 54.840 -0.074 0.000 0.770 295 L CB -0.325 41.667 42.059 -0.112 0.000 0.914 295 L HN 0.476 nan 8.230 nan 0.000 0.439 296 Q N -0.666 119.048 119.800 -0.143 0.000 2.375 296 Q HA 0.099 4.440 4.340 0.001 0.000 0.316 296 Q C -0.366 175.620 176.000 -0.023 0.000 0.927 296 Q CA -0.127 55.601 55.803 -0.125 0.000 1.029 296 Q CB -0.067 28.528 28.738 -0.238 0.000 1.202 296 Q HN 0.416 nan 8.270 nan 0.000 0.431 297 H N -0.763 118.274 119.070 -0.055 0.000 2.508 297 H HA 0.212 4.769 4.556 0.001 0.000 0.344 297 H C 0.567 175.904 175.328 0.015 0.000 1.192 297 H CA -0.220 55.821 56.048 -0.011 0.000 1.290 297 H CB 1.672 31.439 29.762 0.007 0.000 1.571 297 H HN 0.100 nan 8.280 nan 0.000 0.555 298 S N 2.168 117.572 115.700 -0.493 0.000 2.419 298 S HA -0.194 4.277 4.470 0.001 0.000 0.233 298 S C 1.629 176.267 174.600 0.064 0.000 1.016 298 S CA 1.008 59.087 58.200 -0.202 0.000 0.974 298 S CB -0.329 62.709 63.200 -0.270 0.000 0.786 298 S HN 0.653 nan 8.310 nan 0.000 0.492 299 Y N 1.625 122.047 120.300 0.203 0.000 2.314 299 Y HA 0.181 4.732 4.550 0.001 0.000 0.293 299 Y C 0.715 176.679 175.900 0.106 0.000 1.129 299 Y CA 0.713 58.925 58.100 0.187 0.000 1.201 299 Y CB 0.005 38.603 38.460 0.231 0.000 0.999 299 Y HN 0.113 nan 8.280 nan 0.000 0.541 300 L N 0.000 121.295 121.223 0.120 0.000 2.949 300 L HA 0.000 4.341 4.340 0.001 0.000 0.249 300 L CA 0.000 54.841 54.840 0.002 0.000 0.813 300 L CB 0.000 42.095 42.059 0.060 0.000 0.961 300 L HN 0.000 nan 8.230 nan 0.000 0.502