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 3jww_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRXXXXXXX DATA SEQUENCE XXXXXAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.811 174.900 -0.148 0.000 0.946 67 G CA 0.000 45.065 45.100 -0.058 0.000 0.502 68 P HA 0.277 nan 4.420 nan 0.000 0.264 68 P C -0.134 177.035 177.300 -0.219 0.000 1.193 68 P CA -0.144 62.755 63.100 -0.335 0.000 0.763 68 P CB 0.665 31.924 31.700 -0.735 0.000 0.810 69 K N 3.201 123.423 120.400 -0.297 0.000 3.358 69 K HA 0.171 4.495 4.320 0.007 0.000 0.297 69 K C -0.670 175.524 176.600 -0.678 0.000 1.064 69 K CA 0.201 56.233 56.287 -0.426 0.000 1.144 69 K CB -0.988 31.245 32.500 -0.444 0.000 1.289 69 K HN 0.439 nan 8.250 nan 0.000 0.372 70 F N -0.519 119.433 119.950 0.003 0.000 2.645 70 F HA 0.287 4.819 4.527 0.008 0.000 0.310 70 F C -2.056 173.845 175.800 0.168 0.000 1.102 70 F CA -2.558 55.476 58.000 0.057 0.000 0.952 70 F CB 1.456 40.489 39.000 0.055 0.000 1.326 70 F HN -0.048 nan 8.300 nan 0.000 0.456 71 P HA -0.020 nan 4.420 nan 0.000 0.260 71 P C -0.858 176.580 177.300 0.229 0.000 1.172 71 P CA 0.139 63.370 63.100 0.218 0.000 0.760 71 P CB 0.406 32.197 31.700 0.152 0.000 0.773 72 R N 2.954 123.525 120.500 0.119 0.000 2.349 72 R HA 0.519 4.863 4.340 0.007 0.000 0.299 72 R C -1.454 174.761 176.300 -0.141 0.000 1.027 72 R CA -0.572 55.407 56.100 -0.200 0.000 0.958 72 R CB 0.739 30.938 30.300 -0.167 0.000 1.047 72 R HN 0.228 nan 8.270 nan 0.000 0.468 73 V N 4.457 124.235 119.914 -0.227 0.000 2.623 73 V HA 0.394 4.518 4.120 0.007 0.000 0.304 73 V C -0.778 175.233 176.094 -0.138 0.000 1.054 73 V CA -0.795 61.445 62.300 -0.100 0.000 0.882 73 V CB 1.859 33.651 31.823 -0.051 0.000 1.002 73 V HN 0.798 nan 8.190 nan 0.000 0.424 74 K N 3.573 123.921 120.400 -0.086 0.000 2.422 74 K HA 0.499 4.823 4.320 0.007 0.000 0.251 74 K C -1.005 175.538 176.600 -0.094 0.000 0.933 74 K CA -0.711 55.453 56.287 -0.205 0.000 0.798 74 K CB 1.893 34.116 32.500 -0.461 0.000 1.238 74 K HN 0.694 nan 8.250 nan 0.000 0.428 75 N N 4.142 122.772 118.700 -0.117 0.000 2.501 75 N HA 0.109 4.853 4.740 0.007 0.000 0.245 75 N C -0.386 175.127 175.510 0.005 0.000 0.974 75 N CA -0.405 52.677 53.050 0.054 0.000 0.941 75 N CB 0.428 38.962 38.487 0.080 0.000 1.122 75 N HN 0.695 nan 8.380 nan 0.000 0.507 76 W N 2.119 123.491 121.300 0.120 0.000 2.699 76 W HA 0.107 4.771 4.660 0.007 0.000 0.249 76 W C 2.032 178.586 176.519 0.060 0.000 1.280 76 W CA -0.012 57.390 57.345 0.095 0.000 1.345 76 W CB 0.281 29.814 29.460 0.122 0.000 1.128 76 W HN 0.651 nan 8.180 nan 0.000 0.642 77 E N 0.439 120.768 120.200 0.215 0.000 2.051 77 E HA -0.139 4.215 4.350 0.007 0.000 0.189 77 E C 1.650 178.267 176.600 0.029 0.000 0.979 77 E CA 1.126 57.545 56.400 0.033 0.000 0.803 77 E CB -0.197 29.473 29.700 -0.050 0.000 0.761 77 E HN 0.271 nan 8.360 nan 0.000 0.451 78 L N -1.231 120.011 121.223 0.030 0.000 2.590 78 L HA 0.336 4.681 4.340 0.007 0.000 0.227 78 L C 1.486 178.337 176.870 -0.033 0.000 1.099 78 L CA 0.398 55.239 54.840 0.002 0.000 0.872 78 L CB 0.760 42.825 42.059 0.011 0.000 1.088 78 L HN 0.367 nan 8.230 nan 0.000 0.479 79 G N 0.496 109.252 108.800 -0.073 0.000 2.159 79 G HA2 -0.310 3.654 3.960 0.007 0.000 0.256 79 G HA3 -0.310 3.654 3.960 0.007 0.000 0.256 79 G C 0.398 175.205 174.900 -0.156 0.000 0.977 79 G CA 0.401 45.414 45.100 -0.145 0.000 0.652 79 G HN 0.460 nan 8.290 nan 0.000 0.531 80 S N 0.019 115.648 115.700 -0.118 0.000 2.580 80 S HA 0.764 5.238 4.470 0.007 0.000 0.274 80 S C 0.094 174.604 174.600 -0.150 0.000 1.329 80 S CA -0.643 57.493 58.200 -0.107 0.000 1.036 80 S CB 1.944 65.108 63.200 -0.061 0.000 0.919 80 S HN 0.441 nan 8.310 nan 0.000 0.515 81 I N 2.399 122.881 120.570 -0.147 0.000 2.569 81 I HA 0.583 4.757 4.170 0.007 0.000 0.296 81 I C 0.441 176.437 176.117 -0.201 0.000 1.028 81 I CA -0.190 60.983 61.300 -0.210 0.000 1.082 81 I CB 1.615 39.483 38.000 -0.220 0.000 1.264 81 I HN 1.087 nan 8.210 nan 0.000 0.429 82 T N 2.067 116.456 114.554 -0.276 0.000 2.841 82 T HA 0.709 5.064 4.350 0.007 0.000 0.296 82 T C -1.253 173.198 174.700 -0.416 0.000 1.166 82 T CA -0.724 61.242 62.100 -0.223 0.000 1.007 82 T CB 1.847 70.659 68.868 -0.095 0.000 1.253 82 T HN 0.228 nan 8.240 nan 0.000 0.511 83 Y N 0.187 120.482 120.300 -0.009 0.000 2.364 83 Y HA 0.490 5.044 4.550 0.007 0.000 0.340 83 Y C -0.003 175.870 175.900 -0.046 0.000 0.975 83 Y CA -0.989 57.117 58.100 0.010 0.000 1.089 83 Y CB 1.649 40.137 38.460 0.047 0.000 1.192 83 Y HN 0.713 nan 8.280 nan 0.000 0.454 84 D N 1.944 122.411 120.400 0.112 0.000 2.339 84 D HA 0.059 4.703 4.640 0.007 0.000 0.241 84 D C 0.774 176.992 176.300 -0.137 0.000 1.183 84 D CA 0.087 54.094 54.000 0.011 0.000 0.859 84 D CB 1.249 42.092 40.800 0.071 0.000 1.067 84 D HN 0.790 nan 8.370 nan 0.000 0.484 85 T N 1.159 115.517 114.554 -0.326 0.000 3.044 85 T HA -0.045 4.310 4.350 0.007 0.000 0.250 85 T C 1.803 176.288 174.700 -0.359 0.000 1.081 85 T CA -0.194 61.493 62.100 -0.689 0.000 1.040 85 T CB 0.046 68.419 68.868 -0.824 0.000 0.962 85 T HN 0.267 nan 8.240 nan 0.000 0.506 86 L N 2.298 123.397 121.223 -0.207 0.000 2.141 86 L HA 0.093 4.437 4.340 0.007 0.000 0.209 86 L C 2.621 179.361 176.870 -0.215 0.000 1.094 86 L CA 1.319 56.087 54.840 -0.120 0.000 0.763 86 L CB -0.928 41.139 42.059 0.013 0.000 0.908 86 L HN 0.639 nan 8.230 nan 0.000 0.437 87 C N -1.145 117.841 119.300 -0.524 0.000 2.409 87 C HA 0.016 4.480 4.460 0.007 0.000 0.288 87 C C 2.726 177.501 174.990 -0.358 0.000 1.395 87 C CA 0.187 58.630 59.018 -0.958 0.000 1.792 87 C CB -2.383 24.715 27.740 -1.070 0.000 1.847 87 C HN 0.589 nan 8.230 nan 0.000 0.534 88 A N -0.302 122.429 122.820 -0.149 0.000 2.172 88 A HA -0.062 4.262 4.320 0.007 0.000 0.216 88 A C 2.340 179.912 177.584 -0.019 0.000 1.154 88 A CA 1.144 53.172 52.037 -0.015 0.000 0.701 88 A CB -0.474 18.580 19.000 0.089 0.000 0.789 88 A HN 0.736 nan 8.150 nan 0.000 0.465 89 Q N -0.330 119.448 119.800 -0.038 0.000 2.424 89 Q HA 0.060 4.405 4.340 0.007 0.000 0.204 89 Q C 0.592 176.612 176.000 0.033 0.000 0.933 89 Q CA 0.144 55.952 55.803 0.008 0.000 0.929 89 Q CB 0.046 28.795 28.738 0.019 0.000 1.037 89 Q HN 0.508 nan 8.270 nan 0.000 0.511 90 S N 1.362 117.079 115.700 0.029 0.000 2.555 90 S HA -0.033 4.441 4.470 0.007 0.000 0.293 90 S C 0.928 175.558 174.600 0.051 0.000 1.248 90 S CA -0.012 58.229 58.200 0.070 0.000 1.096 90 S CB 0.360 63.610 63.200 0.082 0.000 0.881 90 S HN 0.137 nan 8.310 nan 0.000 0.498 91 Q N 2.576 122.409 119.800 0.054 0.000 2.319 91 Q HA 0.206 4.550 4.340 0.007 0.000 0.202 91 Q C 0.163 176.187 176.000 0.039 0.000 0.896 91 Q CA 0.283 56.111 55.803 0.043 0.000 0.942 91 Q CB 0.362 29.127 28.738 0.044 0.000 1.083 91 Q HN 0.783 nan 8.270 nan 0.000 0.510 92 Q N 0.745 120.573 119.800 0.046 0.000 2.353 92 Q HA 0.246 4.590 4.340 0.007 0.000 0.268 92 Q C -1.443 174.586 176.000 0.049 0.000 1.045 92 Q CA -0.468 55.359 55.803 0.041 0.000 0.811 92 Q CB 1.423 30.181 28.738 0.034 0.000 1.305 92 Q HN -0.148 nan 8.270 nan 0.000 0.447 93 D N 2.400 122.824 120.400 0.040 0.000 2.256 93 D HA 0.374 5.018 4.640 0.007 0.000 0.250 93 D C 0.172 176.499 176.300 0.044 0.000 1.093 93 D CA 0.052 54.078 54.000 0.043 0.000 0.882 93 D CB 1.564 42.383 40.800 0.032 0.000 1.185 93 D HN 0.692 nan 8.370 nan 0.000 0.437 94 G N 1.288 110.120 108.800 0.053 0.000 2.531 94 G HA2 0.336 4.300 3.960 0.007 0.000 0.253 94 G HA3 0.336 4.300 3.960 0.007 0.000 0.253 94 G C -1.551 173.374 174.900 0.042 0.000 1.439 94 G CA -0.449 44.681 45.100 0.050 0.000 1.056 94 G HN 0.425 nan 8.290 nan 0.000 0.555 95 P HA 0.295 nan 4.420 nan 0.000 0.282 95 P C -0.037 177.283 177.300 0.034 0.000 1.327 95 P CA -0.249 62.872 63.100 0.035 0.000 0.949 95 P CB 0.291 32.013 31.700 0.035 0.000 1.445 96 C N 0.791 120.114 119.300 0.039 0.000 2.500 96 C HA 0.705 5.169 4.460 0.007 0.000 0.367 96 C C 0.932 175.940 174.990 0.030 0.000 1.283 96 C CA 0.408 59.447 59.018 0.036 0.000 2.456 96 C CB 1.005 28.771 27.740 0.043 0.000 2.457 96 C HN 0.445 nan 8.230 nan 0.000 0.632 97 T N -2.032 112.537 114.554 0.025 0.000 2.802 97 T HA 0.370 4.724 4.350 0.007 0.000 0.311 97 T C -2.451 172.259 174.700 0.017 0.000 1.405 97 T CA -0.926 61.185 62.100 0.020 0.000 1.016 97 T CB 1.046 69.923 68.868 0.016 0.000 1.352 97 T HN 0.266 nan 8.240 nan 0.000 0.498 98 P HA -0.167 nan 4.420 nan 0.000 0.218 98 P C 1.533 178.839 177.300 0.009 0.000 1.154 98 P CA 1.290 64.397 63.100 0.011 0.000 0.872 98 P CB 0.070 31.775 31.700 0.007 0.000 0.790 99 R N -0.388 120.117 120.500 0.009 0.000 2.090 99 R HA -0.078 4.267 4.340 0.007 0.000 0.228 99 R C 0.468 176.773 176.300 0.008 0.000 1.110 99 R CA 0.937 57.041 56.100 0.007 0.000 0.973 99 R CB 0.130 30.434 30.300 0.007 0.000 0.869 99 R HN 0.096 nan 8.270 nan 0.000 0.440 100 R N 0.074 120.580 120.500 0.010 0.000 2.536 100 R HA 0.133 4.477 4.340 0.007 0.000 0.269 100 R C -1.725 174.585 176.300 0.016 0.000 1.113 100 R CA -0.726 55.381 56.100 0.011 0.000 0.948 100 R CB -0.200 30.106 30.300 0.010 0.000 1.237 100 R HN 0.083 nan 8.270 nan 0.000 0.441 101 C N 3.788 123.097 119.300 0.016 0.000 2.576 101 C HA 0.435 4.899 4.460 0.007 0.000 0.401 101 C C 0.385 175.391 174.990 0.027 0.000 1.314 101 C CA -0.324 58.707 59.018 0.022 0.000 1.855 101 C CB -0.778 26.972 27.740 0.016 0.000 2.537 101 C HN 0.653 nan 8.230 nan 0.000 0.578 102 L N 6.119 127.364 121.223 0.036 0.000 3.209 102 L HA 0.373 4.717 4.340 0.007 0.000 0.279 102 L C 1.485 178.390 176.870 0.058 0.000 1.301 102 L CA 0.602 55.467 54.840 0.041 0.000 1.004 102 L CB 0.237 42.317 42.059 0.035 0.000 1.402 102 L HN 0.976 nan 8.230 nan 0.000 0.577 103 G N -1.497 107.343 108.800 0.067 0.000 2.939 103 G HA2 -0.078 3.886 3.960 0.007 0.000 0.210 103 G HA3 -0.078 3.886 3.960 0.007 0.000 0.210 103 G C 1.252 176.229 174.900 0.130 0.000 1.160 103 G CA 0.817 45.971 45.100 0.090 0.000 0.770 103 G HN 0.464 nan 8.290 nan 0.000 0.543 104 S N 0.058 115.830 115.700 0.120 0.000 2.575 104 S HA 0.334 4.808 4.470 0.007 0.000 0.215 104 S C 0.727 175.417 174.600 0.151 0.000 0.966 104 S CA -0.526 57.766 58.200 0.152 0.000 0.911 104 S CB -0.106 63.159 63.200 0.109 0.000 0.780 104 S HN 0.006 nan 8.310 nan 0.000 0.514 105 L N 2.326 123.621 121.223 0.120 0.000 2.331 105 L HA 0.277 4.621 4.340 0.007 0.000 0.278 105 L C 1.469 178.416 176.870 0.129 0.000 1.106 105 L CA -0.156 54.743 54.840 0.098 0.000 0.824 105 L CB 1.353 43.449 42.059 0.062 0.000 1.142 105 L HN 0.105 nan 8.230 nan 0.000 0.443 106 V N 4.805 124.800 119.914 0.135 0.000 2.270 106 V HA -0.127 3.997 4.120 0.007 0.000 0.245 106 V C 0.814 176.913 176.094 0.008 0.000 1.043 106 V CA 1.291 63.690 62.300 0.165 0.000 1.014 106 V CB -0.108 31.815 31.823 0.167 0.000 0.645 106 V HN 0.535 nan 8.190 nan 0.000 0.447 107 L N 0.823 122.018 121.223 -0.047 0.000 2.346 107 L HA 0.644 4.988 4.340 0.007 0.000 0.276 107 L C -2.781 174.082 176.870 -0.011 0.000 1.006 107 L CA -1.485 53.312 54.840 -0.072 0.000 0.817 107 L CB 1.452 43.420 42.059 -0.152 0.000 1.272 107 L HN 0.116 nan 8.230 nan 0.000 0.421 108 P HA 0.608 nan 4.420 nan 0.000 0.311 108 P C -1.129 176.179 177.300 0.014 0.000 1.419 108 P CA -1.034 62.075 63.100 0.014 0.000 1.121 108 P CB 2.152 33.868 31.700 0.026 0.000 1.471 123 E N 0.701 120.907 120.200 0.011 0.000 2.268 123 E HA -0.096 4.258 4.350 0.007 0.000 0.195 123 E C 1.710 178.318 176.600 0.014 0.000 0.995 123 E CA 1.426 57.831 56.400 0.009 0.000 0.836 123 E CB -0.125 29.579 29.700 0.006 0.000 0.763 123 E HN 0.566 nan 8.360 nan 0.000 0.491 124 Q N 0.513 120.322 119.800 0.015 0.000 2.119 124 Q HA -0.049 4.295 4.340 0.007 0.000 0.201 124 Q C 1.879 177.896 176.000 0.028 0.000 0.972 124 Q CA 1.118 56.932 55.803 0.019 0.000 0.847 124 Q CB -0.155 28.592 28.738 0.014 0.000 0.903 124 Q HN 0.418 nan 8.270 nan 0.000 0.433 125 L N -0.737 120.505 121.223 0.032 0.000 2.095 125 L HA -0.096 4.248 4.340 0.007 0.000 0.204 125 L C 1.917 178.820 176.870 0.055 0.000 1.080 125 L CA 0.611 55.484 54.840 0.055 0.000 0.759 125 L CB -0.217 41.881 42.059 0.066 0.000 0.914 125 L HN 0.354 nan 8.230 nan 0.000 0.439 126 L N -0.140 121.097 121.223 0.024 0.000 1.989 126 L HA -0.218 4.126 4.340 0.007 0.000 0.211 126 L C 2.929 179.804 176.870 0.009 0.000 1.071 126 L CA 2.307 57.144 54.840 -0.005 0.000 0.749 126 L CB -1.252 40.800 42.059 -0.011 0.000 0.890 126 L HN 0.450 nan 8.230 nan 0.000 0.431 127 S N -1.320 114.394 115.700 0.023 0.000 2.399 127 S HA -0.234 4.240 4.470 0.007 0.000 0.231 127 S C 1.828 176.464 174.600 0.059 0.000 1.022 127 S CA 0.961 59.181 58.200 0.033 0.000 0.983 127 S CB -0.308 62.909 63.200 0.028 0.000 0.803 127 S HN 0.464 nan 8.310 nan 0.000 0.480 128 Q N 1.006 120.848 119.800 0.070 0.000 2.049 128 Q HA 0.090 4.435 4.340 0.007 0.000 0.198 128 Q C 2.669 178.765 176.000 0.160 0.000 0.971 128 Q CA 1.265 57.129 55.803 0.101 0.000 0.833 128 Q CB -0.538 28.249 28.738 0.082 0.000 0.896 128 Q HN 0.747 nan 8.270 nan 0.000 0.434 129 A N 1.350 124.253 122.820 0.138 0.000 1.865 129 A HA -0.238 4.086 4.320 0.007 0.000 0.217 129 A C 1.983 179.655 177.584 0.146 0.000 1.191 129 A CA 1.552 53.671 52.037 0.137 0.000 0.623 129 A CB -0.543 18.372 19.000 -0.142 0.000 0.826 129 A HN 0.230 nan 8.150 nan 0.000 0.444 130 R N -0.683 119.859 120.500 0.071 0.000 2.152 130 R HA -0.140 4.204 4.340 0.007 0.000 0.232 130 R C 1.899 178.272 176.300 0.122 0.000 1.117 130 R CA 1.425 57.568 56.100 0.071 0.000 0.981 130 R CB -0.304 30.017 30.300 0.035 0.000 0.870 130 R HN 0.784 nan 8.270 nan 0.000 0.451 131 D N -0.051 120.439 120.400 0.150 0.000 2.183 131 D HA -0.132 4.513 4.640 0.007 0.000 0.205 131 D C 1.679 178.101 176.300 0.204 0.000 0.962 131 D CA 0.484 54.574 54.000 0.150 0.000 0.849 131 D CB 0.080 40.962 40.800 0.136 0.000 0.978 131 D HN 0.092 nan 8.370 nan 0.000 0.488 132 F N 1.979 122.016 119.950 0.145 0.000 2.102 132 F HA -0.148 4.383 4.527 0.006 0.000 0.298 132 F C 2.139 178.087 175.800 0.246 0.000 1.105 132 F CA 0.977 59.101 58.000 0.207 0.000 1.239 132 F CB -0.388 38.739 39.000 0.212 0.000 0.991 132 F HN -0.124 nan 8.300 nan 0.000 0.474 133 I N 1.123 121.659 120.570 -0.057 0.000 2.208 133 I HA -0.318 3.856 4.170 0.007 0.000 0.245 133 I C 2.016 178.148 176.117 0.024 0.000 1.097 133 I CA 1.283 62.567 61.300 -0.026 0.000 1.363 133 I CB -1.712 36.392 38.000 0.173 0.000 1.051 133 I HN 0.239 nan 8.210 nan 0.000 0.413 134 N N 0.907 119.640 118.700 0.056 0.000 2.166 134 N HA -0.194 4.550 4.740 0.007 0.000 0.186 134 N C 1.840 177.277 175.510 -0.122 0.000 1.019 134 N CA 1.077 54.116 53.050 -0.019 0.000 0.856 134 N CB -0.354 38.187 38.487 0.090 0.000 0.993 134 N HN 0.524 nan 8.380 nan 0.000 0.426 135 Q N -0.651 119.102 119.800 -0.078 0.000 2.084 135 Q HA -0.161 4.183 4.340 0.007 0.000 0.202 135 Q C 1.704 177.483 176.000 -0.368 0.000 0.978 135 Q CA 1.104 56.874 55.803 -0.055 0.000 0.844 135 Q CB -0.223 28.640 28.738 0.207 0.000 0.898 135 Q HN 0.433 nan 8.270 nan 0.000 0.426 136 Y N 0.246 120.115 120.300 -0.718 0.000 2.089 136 Y HA -0.311 4.243 4.550 0.005 0.000 0.282 136 Y C 1.782 177.153 175.900 -0.882 0.000 1.139 136 Y CA 1.639 59.055 58.100 -1.141 0.000 1.123 136 Y CB -0.697 37.173 38.460 -0.983 0.000 0.980 136 Y HN 0.075 nan 8.280 nan 0.000 0.493 137 Y N -0.097 119.774 120.300 -0.715 0.000 2.256 137 Y HA -0.246 4.309 4.550 0.008 0.000 0.288 137 Y C 2.788 178.349 175.900 -0.565 0.000 1.155 137 Y CA 1.853 59.530 58.100 -0.704 0.000 1.203 137 Y CB -0.633 37.346 38.460 -0.802 0.000 0.980 137 Y HN 0.112 nan 8.280 nan 0.000 0.530 138 S N -0.882 114.595 115.700 -0.370 0.000 2.406 138 S HA -0.168 4.306 4.470 0.007 0.000 0.228 138 S C 2.211 176.647 174.600 -0.274 0.000 1.020 138 S CA 1.163 59.213 58.200 -0.249 0.000 0.965 138 S CB -0.477 62.628 63.200 -0.158 0.000 0.798 138 S HN 0.633 nan 8.310 nan 0.000 0.488 139 S N 2.264 117.711 115.700 -0.420 0.000 2.428 139 S HA 0.007 4.481 4.470 0.007 0.000 0.230 139 S C 1.524 175.916 174.600 -0.346 0.000 1.014 139 S CA 0.730 58.728 58.200 -0.336 0.000 0.957 139 S CB -0.725 62.209 63.200 -0.445 0.000 0.784 139 S HN 0.720 nan 8.310 nan 0.000 0.499 140 I N -3.116 117.150 120.570 -0.507 0.000 3.941 140 I HA 0.441 4.615 4.170 0.007 0.000 0.335 140 I C -0.397 175.566 176.117 -0.257 0.000 1.402 140 I CA -0.609 60.451 61.300 -0.400 0.000 1.112 140 I CB 0.002 37.661 38.000 -0.568 0.000 1.043 140 I HN -0.150 nan 8.210 nan 0.000 0.395 141 K N 1.806 122.078 120.400 -0.213 0.000 3.125 141 K HA -0.150 4.174 4.320 0.007 0.000 0.268 141 K C 0.024 176.572 176.600 -0.087 0.000 1.078 141 K CA 0.463 56.675 56.287 -0.126 0.000 0.775 141 K CB -1.705 30.741 32.500 -0.090 0.000 1.253 141 K HN 0.530 nan 8.250 nan 0.000 0.486 142 R N -0.560 119.891 120.500 -0.081 0.000 2.659 142 R HA 0.133 4.477 4.340 0.007 0.000 0.418 142 R C -0.128 176.191 176.300 0.031 0.000 1.076 142 R CA -0.292 55.817 56.100 0.014 0.000 1.093 142 R CB 0.765 31.137 30.300 0.121 0.000 1.400 142 R HN 0.070 nan 8.270 nan 0.000 0.583 143 S N -0.181 115.503 115.700 -0.027 0.000 2.488 143 S HA 0.369 4.843 4.470 0.007 0.000 0.278 143 S C 1.206 175.865 174.600 0.099 0.000 1.259 143 S CA 1.251 59.449 58.200 -0.004 0.000 1.061 143 S CB 0.543 63.718 63.200 -0.043 0.000 0.910 143 S HN 0.719 nan 8.310 nan 0.000 0.491 144 G N 3.112 112.066 108.800 0.256 0.000 2.284 144 G HA2 -0.262 3.702 3.960 0.007 0.000 0.216 144 G HA3 -0.262 3.702 3.960 0.007 0.000 0.216 144 G C 0.367 175.278 174.900 0.019 0.000 1.009 144 G CA 0.087 45.241 45.100 0.090 0.000 0.625 144 G HN 1.284 nan 8.290 nan 0.000 0.501 145 S N 1.000 116.725 115.700 0.041 0.000 2.580 145 S HA 0.344 4.818 4.470 0.007 0.000 0.261 145 S C 1.759 176.324 174.600 -0.059 0.000 1.366 145 S CA 0.987 59.185 58.200 -0.003 0.000 0.996 145 S CB 1.163 64.378 63.200 0.026 0.000 0.902 145 S HN 1.044 nan 8.310 nan 0.000 0.566 146 Q N 1.300 121.071 119.800 -0.049 0.000 2.167 146 Q HA -0.056 4.288 4.340 0.007 0.000 0.202 146 Q C 2.121 178.073 176.000 -0.080 0.000 0.970 146 Q CA 1.853 57.616 55.803 -0.067 0.000 0.855 146 Q CB -1.419 27.297 28.738 -0.037 0.000 0.911 146 Q HN 0.882 nan 8.270 nan 0.000 0.438 147 A N 1.728 124.521 122.820 -0.046 0.000 1.902 147 A HA -0.243 4.081 4.320 0.007 0.000 0.217 147 A C 2.160 179.597 177.584 -0.245 0.000 1.181 147 A CA 1.629 53.655 52.037 -0.019 0.000 0.623 147 A CB -1.216 17.867 19.000 0.138 0.000 0.818 147 A HN 0.731 nan 8.150 nan 0.000 0.443 148 H N -0.499 118.185 119.070 -0.643 0.000 2.293 148 H HA -0.115 4.445 4.556 0.007 0.000 0.300 148 H C 1.828 176.818 175.328 -0.564 0.000 1.082 148 H CA 1.394 56.742 56.048 -1.166 0.000 1.308 148 H CB 0.055 29.321 29.762 -0.827 0.000 1.375 148 H HN 0.466 nan 8.280 nan 0.000 0.495 149 E N 0.582 120.515 120.200 -0.444 0.000 2.204 149 E HA -0.142 4.212 4.350 0.007 0.000 0.194 149 E C 2.049 178.521 176.600 -0.212 0.000 0.989 149 E CA 0.732 56.905 56.400 -0.378 0.000 0.824 149 E CB -0.074 29.456 29.700 -0.284 0.000 0.756 149 E HN 0.692 nan 8.360 nan 0.000 0.477 150 E N 0.559 120.667 120.200 -0.154 0.000 2.107 150 E HA -0.139 4.215 4.350 0.007 0.000 0.191 150 E C 2.141 178.713 176.600 -0.045 0.000 0.982 150 E CA 0.531 56.885 56.400 -0.077 0.000 0.809 150 E CB 0.038 29.714 29.700 -0.040 0.000 0.756 150 E HN -0.084 nan 8.360 nan 0.000 0.459 151 R N 1.157 121.631 120.500 -0.043 0.000 2.096 151 R HA -0.097 4.247 4.340 0.007 0.000 0.235 151 R C 2.007 178.312 176.300 0.009 0.000 1.127 151 R CA 1.158 57.282 56.100 0.041 0.000 0.968 151 R CB -0.580 29.824 30.300 0.174 0.000 0.861 151 R HN 0.156 nan 8.270 nan 0.000 0.440 152 L N 0.052 121.240 121.223 -0.059 0.000 1.989 152 L HA -0.221 4.123 4.340 0.007 0.000 0.211 152 L C 2.659 179.486 176.870 -0.072 0.000 1.071 152 L CA 1.820 56.615 54.840 -0.075 0.000 0.749 152 L CB -0.522 41.448 42.059 -0.149 0.000 0.890 152 L HN 0.352 nan 8.230 nan 0.000 0.431 153 Q N -0.564 119.191 119.800 -0.074 0.000 2.152 153 Q HA -0.265 4.079 4.340 0.007 0.000 0.206 153 Q C 2.189 178.172 176.000 -0.028 0.000 0.985 153 Q CA 1.591 57.362 55.803 -0.053 0.000 0.863 153 Q CB -0.007 28.700 28.738 -0.051 0.000 0.904 153 Q HN 0.468 nan 8.270 nan 0.000 0.422 154 E N -0.513 119.679 120.200 -0.013 0.000 2.072 154 E HA -0.135 4.219 4.350 0.007 0.000 0.190 154 E C 2.037 178.645 176.600 0.014 0.000 0.982 154 E CA 0.812 57.222 56.400 0.017 0.000 0.803 154 E CB 0.215 29.941 29.700 0.044 0.000 0.755 154 E HN 0.146 nan 8.360 nan 0.000 0.453 155 V N 2.379 122.275 119.914 -0.030 0.000 2.307 155 V HA -0.265 3.859 4.120 0.007 0.000 0.245 155 V C 2.369 178.386 176.094 -0.128 0.000 1.045 155 V CA 2.273 64.494 62.300 -0.131 0.000 1.024 155 V CB -0.542 31.098 31.823 -0.305 0.000 0.651 155 V HN 0.403 nan 8.190 nan 0.000 0.449 156 E N 0.979 121.121 120.200 -0.096 0.000 2.106 156 E HA -0.192 4.162 4.350 0.007 0.000 0.192 156 E C 2.170 178.758 176.600 -0.021 0.000 0.984 156 E CA 1.472 57.834 56.400 -0.062 0.000 0.806 156 E CB -0.469 29.198 29.700 -0.054 0.000 0.750 156 E HN 0.518 nan 8.360 nan 0.000 0.458 157 A N 1.794 124.609 122.820 -0.008 0.000 1.902 157 A HA -0.239 4.085 4.320 0.007 0.000 0.217 157 A C 2.130 179.735 177.584 0.035 0.000 1.181 157 A CA 1.646 53.691 52.037 0.013 0.000 0.623 157 A CB -0.582 18.427 19.000 0.015 0.000 0.818 157 A HN 0.368 nan 8.150 nan 0.000 0.443 158 E N -0.426 119.807 120.200 0.054 0.000 2.077 158 E HA -0.137 4.217 4.350 0.007 0.000 0.193 158 E C 1.924 178.580 176.600 0.094 0.000 0.989 158 E CA 1.429 57.888 56.400 0.098 0.000 0.800 158 E CB -0.090 29.708 29.700 0.164 0.000 0.746 158 E HN 0.374 nan 8.360 nan 0.000 0.452 159 V N 0.889 120.846 119.914 0.071 0.000 2.323 159 V HA -0.210 3.914 4.120 0.007 0.000 0.244 159 V C 2.363 178.483 176.094 0.043 0.000 1.041 159 V CA 1.620 63.960 62.300 0.067 0.000 1.025 159 V CB -0.726 31.127 31.823 0.050 0.000 0.656 159 V HN 0.389 nan 8.190 nan 0.000 0.451 160 A N 0.596 123.432 122.820 0.027 0.000 2.093 160 A HA -0.227 4.097 4.320 0.007 0.000 0.222 160 A C 2.349 179.948 177.584 0.026 0.000 1.162 160 A CA 2.471 54.520 52.037 0.021 0.000 0.655 160 A CB -0.480 18.527 19.000 0.012 0.000 0.805 160 A HN 0.729 nan 8.150 nan 0.000 0.461 161 S N -3.091 112.630 115.700 0.036 0.000 2.520 161 S HA 0.074 4.548 4.470 0.007 0.000 0.219 161 S C 1.230 175.856 174.600 0.044 0.000 1.028 161 S CA 0.996 59.219 58.200 0.038 0.000 0.921 161 S CB -0.059 63.166 63.200 0.041 0.000 0.844 161 S HN 0.859 nan 8.310 nan 0.000 0.495 162 T N -3.980 110.605 114.554 0.051 0.000 3.080 162 T HA 0.542 4.896 4.350 0.007 0.000 0.280 162 T C 1.571 176.296 174.700 0.042 0.000 0.926 162 T CA 0.862 62.994 62.100 0.054 0.000 0.883 162 T CB 0.197 69.112 68.868 0.078 0.000 1.194 162 T HN 1.158 nan 8.240 nan 0.000 0.541 163 G N 0.797 109.621 108.800 0.039 0.000 2.396 163 G HA2 -0.280 3.684 3.960 0.007 0.000 0.242 163 G HA3 -0.280 3.684 3.960 0.007 0.000 0.242 163 G C 0.330 175.248 174.900 0.031 0.000 1.069 163 G CA 0.744 45.862 45.100 0.030 0.000 0.633 163 G HN 0.993 nan 8.290 nan 0.000 0.517 164 T N -0.876 113.691 114.554 0.021 0.000 2.762 164 T HA 0.754 5.108 4.350 0.007 0.000 0.272 164 T C -0.659 174.075 174.700 0.056 0.000 0.982 164 T CA 0.464 62.552 62.100 -0.019 0.000 1.013 164 T CB 1.494 70.264 68.868 -0.163 0.000 1.309 164 T HN 1.510 nan 8.240 nan 0.000 0.572 165 Y N -1.062 119.108 120.300 -0.218 0.000 2.725 165 Y HA 0.691 5.245 4.550 0.007 0.000 0.333 165 Y C -1.485 174.211 175.900 -0.339 0.000 1.242 165 Y CA -1.176 56.830 58.100 -0.157 0.000 1.059 165 Y CB 0.975 39.423 38.460 -0.018 0.000 1.306 165 Y HN 0.676 nan 8.280 nan 0.000 0.454 166 H N 1.652 120.731 119.070 0.014 0.000 2.717 166 H HA 0.508 5.069 4.556 0.007 0.000 0.366 166 H C -1.126 174.248 175.328 0.077 0.000 1.132 166 H CA -0.883 55.124 56.048 -0.068 0.000 1.180 166 H CB 2.586 32.359 29.762 0.019 0.000 1.678 166 H HN 0.632 nan 8.280 nan 0.000 0.537 167 L N 2.578 123.894 121.223 0.155 0.000 2.349 167 L HA 0.286 4.630 4.340 0.007 0.000 0.275 167 L C 1.180 178.138 176.870 0.146 0.000 1.115 167 L CA -0.462 54.497 54.840 0.199 0.000 0.820 167 L CB 0.520 42.675 42.059 0.160 0.000 1.135 167 L HN 0.348 nan 8.230 nan 0.000 0.445 168 R N 1.564 122.132 120.500 0.115 0.000 2.827 168 R HA -0.048 4.296 4.340 0.007 0.000 0.269 168 R C 1.157 177.460 176.300 0.005 0.000 1.048 168 R CA -0.105 56.021 56.100 0.043 0.000 1.173 168 R CB 0.608 30.909 30.300 0.001 0.000 1.070 168 R HN 0.700 nan 8.270 nan 0.000 0.498 169 E N 0.954 121.151 120.200 -0.006 0.000 2.023 169 E HA -0.223 4.131 4.350 0.007 0.000 0.196 169 E C 1.586 178.172 176.600 -0.023 0.000 1.003 169 E CA 2.163 58.553 56.400 -0.018 0.000 0.809 169 E CB 0.036 29.728 29.700 -0.013 0.000 0.755 169 E HN 0.678 nan 8.360 nan 0.000 0.449 170 S N -0.161 115.523 115.700 -0.027 0.000 2.447 170 S HA -0.118 4.357 4.470 0.007 0.000 0.233 170 S C 1.654 176.237 174.600 -0.030 0.000 1.006 170 S CA 0.971 59.177 58.200 0.009 0.000 0.957 170 S CB -0.178 63.059 63.200 0.062 0.000 0.773 170 S HN 0.300 nan 8.310 nan 0.000 0.507 171 E N 1.076 121.144 120.200 -0.219 0.000 2.051 171 E HA -0.086 4.268 4.350 0.007 0.000 0.192 171 E C 2.034 178.772 176.600 0.230 0.000 0.991 171 E CA 1.253 57.559 56.400 -0.158 0.000 0.799 171 E CB -0.362 29.238 29.700 -0.166 0.000 0.748 171 E HN 0.495 nan 8.360 nan 0.000 0.449 172 L N 0.906 122.181 121.223 0.086 0.000 2.012 172 L HA -0.188 4.157 4.340 0.007 0.000 0.210 172 L C 2.205 179.080 176.870 0.007 0.000 1.073 172 L CA 1.499 56.338 54.840 -0.002 0.000 0.748 172 L CB -0.436 41.550 42.059 -0.122 0.000 0.891 172 L HN -0.051 nan 8.230 nan 0.000 0.431 173 V N -0.141 119.795 119.914 0.036 0.000 2.287 173 V HA -0.333 3.791 4.120 0.007 0.000 0.248 173 V C 2.382 178.567 176.094 0.152 0.000 1.053 173 V CA 2.345 64.677 62.300 0.053 0.000 1.027 173 V CB -1.062 30.792 31.823 0.052 0.000 0.646 173 V HN 0.659 nan 8.190 nan 0.000 0.447 174 F N 1.925 121.951 119.950 0.125 0.000 2.171 174 F HA 0.014 4.545 4.527 0.006 0.000 0.300 174 F C 2.104 178.038 175.800 0.224 0.000 1.090 174 F CA 1.613 59.737 58.000 0.207 0.000 1.293 174 F CB -0.793 38.387 39.000 0.299 0.000 1.013 174 F HN 0.103 nan 8.300 nan 0.000 0.486 175 G N 0.206 109.024 108.800 0.030 0.000 2.433 175 G HA2 -0.235 3.730 3.960 0.007 0.000 0.216 175 G HA3 -0.235 3.730 3.960 0.007 0.000 0.216 175 G C 1.856 176.598 174.900 -0.264 0.000 1.186 175 G CA 0.930 45.935 45.100 -0.159 0.000 0.779 175 G HN 0.617 nan 8.290 nan 0.000 0.543 176 A N 0.764 123.480 122.820 -0.173 0.000 1.940 176 A HA -0.072 4.252 4.320 0.007 0.000 0.219 176 A C 2.305 179.855 177.584 -0.057 0.000 1.176 176 A CA 2.068 54.007 52.037 -0.164 0.000 0.631 176 A CB -0.370 18.568 19.000 -0.103 0.000 0.814 176 A HN 0.396 nan 8.150 nan 0.000 0.446 177 K N -1.274 119.138 120.400 0.020 0.000 2.148 177 K HA -0.153 4.171 4.320 0.007 0.000 0.204 177 K C 2.284 178.943 176.600 0.098 0.000 1.050 177 K CA 1.468 57.880 56.287 0.209 0.000 0.942 177 K CB -0.068 32.604 32.500 0.287 0.000 0.724 177 K HN 0.484 nan 8.250 nan 0.000 0.446 178 Q N 0.594 120.269 119.800 -0.209 0.000 2.187 178 Q HA 0.015 4.359 4.340 0.007 0.000 0.199 178 Q C 1.786 177.608 176.000 -0.297 0.000 0.957 178 Q CA 1.324 56.903 55.803 -0.374 0.000 0.857 178 Q CB -0.033 28.298 28.738 -0.677 0.000 0.929 178 Q HN 0.293 nan 8.270 nan 0.000 0.453 179 A N -0.576 122.047 122.820 -0.328 0.000 1.930 179 A HA -0.164 4.160 4.320 0.007 0.000 0.217 179 A C 1.788 179.257 177.584 -0.192 0.000 1.175 179 A CA 1.340 53.093 52.037 -0.472 0.000 0.627 179 A CB -1.107 17.261 19.000 -1.054 0.000 0.815 179 A HN 0.693 nan 8.150 nan 0.000 0.443 180 W N 1.057 122.256 121.300 -0.169 0.000 2.379 180 W HA -0.131 4.532 4.660 0.005 0.000 0.307 180 W C 2.328 178.819 176.519 -0.046 0.000 1.200 180 W CA 1.537 58.914 57.345 0.053 0.000 1.297 180 W CB -0.734 28.788 29.460 0.102 0.000 1.140 180 W HN 0.359 nan 8.180 nan 0.000 0.507 181 R N 0.381 120.796 120.500 -0.143 0.000 2.103 181 R HA -0.218 4.126 4.340 0.007 0.000 0.242 181 R C 1.714 177.849 176.300 -0.275 0.000 1.142 181 R CA 1.998 57.820 56.100 -0.463 0.000 0.960 181 R CB -0.702 29.061 30.300 -0.893 0.000 0.858 181 R HN 0.107 nan 8.270 nan 0.000 0.439 182 N N 0.403 118.981 118.700 -0.203 0.000 2.512 182 N HA -0.020 4.724 4.740 0.007 0.000 0.183 182 N C -0.268 175.185 175.510 -0.095 0.000 1.073 182 N CA 0.801 53.757 53.050 -0.157 0.000 0.911 182 N CB 0.099 38.493 38.487 -0.155 0.000 0.964 182 N HN 0.215 nan 8.380 nan 0.000 0.447 183 A N 1.796 124.612 122.820 -0.007 0.000 2.438 183 A HA 0.250 4.574 4.320 0.007 0.000 0.280 183 A C -1.325 176.256 177.584 -0.005 0.000 1.160 183 A CA -0.922 51.132 52.037 0.028 0.000 0.821 183 A CB 0.431 19.526 19.000 0.157 0.000 1.101 183 A HN 0.013 nan 8.150 nan 0.000 0.515 184 P HA -0.031 nan 4.420 nan 0.000 0.222 184 P C 1.050 178.312 177.300 -0.062 0.000 1.153 184 P CA 0.891 63.947 63.100 -0.074 0.000 0.798 184 P CB 0.210 31.832 31.700 -0.131 0.000 0.796 185 R N -1.786 118.637 120.500 -0.129 0.000 2.310 185 R HA 0.142 4.486 4.340 0.007 0.000 0.202 185 R C 0.245 176.551 176.300 0.010 0.000 0.933 185 R CA -0.062 55.966 56.100 -0.120 0.000 1.054 185 R CB -0.561 29.463 30.300 -0.460 0.000 0.985 185 R HN 0.185 nan 8.270 nan 0.000 0.489 186 C N 0.414 119.725 119.300 0.019 0.000 2.307 186 C HA 0.290 4.754 4.460 0.007 0.000 0.340 186 C C 1.661 176.648 174.990 -0.005 0.000 1.275 186 C CA -0.648 58.412 59.018 0.069 0.000 1.811 186 C CB 0.988 28.847 27.740 0.198 0.000 2.372 186 C HN 0.284 nan 8.230 nan 0.000 0.531 187 V N 5.696 125.566 119.914 -0.074 0.000 3.644 187 V HA 0.305 4.429 4.120 0.007 0.000 0.267 187 V C 1.643 177.782 176.094 0.075 0.000 1.277 187 V CA 1.616 63.771 62.300 -0.242 0.000 1.096 187 V CB 0.174 31.829 31.823 -0.281 0.000 0.828 187 V HN 1.064 nan 8.190 nan 0.000 0.446 188 G N -0.313 108.560 108.800 0.121 0.000 3.314 188 G HA2 0.043 4.007 3.960 0.007 0.000 0.238 188 G HA3 0.043 4.007 3.960 0.007 0.000 0.238 188 G C 1.228 176.199 174.900 0.118 0.000 1.184 188 G CA -0.255 44.930 45.100 0.142 0.000 0.806 188 G HN 0.449 nan 8.290 nan 0.000 0.536 189 R N -0.169 120.315 120.500 -0.027 0.000 2.293 189 R HA 0.103 4.447 4.340 0.007 0.000 0.219 189 R C 2.063 177.979 176.300 -0.639 0.000 1.091 189 R CA 0.199 55.985 56.100 -0.524 0.000 1.004 189 R CB -0.191 29.755 30.300 -0.589 0.000 0.865 189 R HN 0.410 nan 8.270 nan 0.000 0.469 190 I N 1.176 121.510 120.570 -0.394 0.000 2.315 190 I HA -0.301 3.873 4.170 0.007 0.000 0.251 190 I C 1.336 177.392 176.117 -0.101 0.000 1.125 190 I CA 1.414 62.656 61.300 -0.097 0.000 1.392 190 I CB 0.089 38.128 38.000 0.065 0.000 1.065 190 I HN 0.252 nan 8.210 nan 0.000 0.424 191 Q N 0.542 120.251 119.800 -0.151 0.000 2.482 191 Q HA -0.167 4.177 4.340 0.007 0.000 0.209 191 Q C 1.734 177.396 176.000 -0.564 0.000 0.961 191 Q CA 0.814 56.517 55.803 -0.168 0.000 0.945 191 Q CB -0.413 28.387 28.738 0.103 0.000 1.012 191 Q HN 0.793 nan 8.270 nan 0.000 0.515 192 W N 0.209 120.881 121.300 -1.047 0.000 2.313 192 W HA -0.158 4.508 4.660 0.010 0.000 0.293 192 W C 1.268 177.482 176.519 -0.509 0.000 1.216 192 W CA 1.248 57.745 57.345 -1.414 0.000 1.223 192 W CB -1.375 27.448 29.460 -1.062 0.000 1.138 192 W HN 0.104 nan 8.180 nan 0.000 0.535 193 G N 1.067 109.086 108.800 -1.303 0.000 2.650 193 G HA2 -0.163 3.801 3.960 0.007 0.000 0.214 193 G HA3 -0.163 3.801 3.960 0.007 0.000 0.214 193 G C 0.937 175.578 174.900 -0.431 0.000 1.136 193 G CA -0.015 44.393 45.100 -1.154 0.000 0.789 193 G HN 0.202 nan 8.290 nan 0.000 0.536 194 K N 0.479 120.739 120.400 -0.234 0.000 2.360 194 K HA 0.421 4.745 4.320 0.007 0.000 0.235 194 K C -1.567 175.127 176.600 0.157 0.000 1.077 194 K CA -0.610 55.662 56.287 -0.025 0.000 1.035 194 K CB 0.256 32.764 32.500 0.014 0.000 1.623 194 K HN 0.112 nan 8.250 nan 0.000 0.462 195 L N 2.628 123.933 121.223 0.137 0.000 2.385 195 L HA 0.355 4.699 4.340 0.007 0.000 0.273 195 L C -1.075 175.789 176.870 -0.011 0.000 0.990 195 L CA -0.432 54.507 54.840 0.164 0.000 0.821 195 L CB 1.920 44.141 42.059 0.269 0.000 1.279 195 L HN 0.320 nan 8.230 nan 0.000 0.412 196 Q N 3.028 122.765 119.800 -0.105 0.000 2.314 196 Q HA 0.472 4.817 4.340 0.007 0.000 0.257 196 Q C -1.442 174.187 176.000 -0.618 0.000 0.975 196 Q CA -0.028 55.542 55.803 -0.388 0.000 0.933 196 Q CB 1.123 29.560 28.738 -0.502 0.000 1.195 196 Q HN 0.530 nan 8.270 nan 0.000 0.426 197 V N 6.491 126.077 119.914 -0.545 0.000 2.318 197 V HA 0.346 4.470 4.120 0.007 0.000 0.271 197 V C -0.696 175.084 176.094 -0.522 0.000 1.030 197 V CA -0.526 61.513 62.300 -0.434 0.000 0.844 197 V CB -0.024 31.671 31.823 -0.214 0.000 1.015 197 V HN 0.603 nan 8.190 nan 0.000 0.460 198 F N 2.693 122.524 119.950 -0.198 0.000 2.411 198 F HA 0.364 4.892 4.527 0.002 0.000 0.355 198 F C 0.660 176.297 175.800 -0.272 0.000 1.117 198 F CA -0.967 56.902 58.000 -0.218 0.000 1.139 198 F CB 0.664 39.539 39.000 -0.208 0.000 1.120 198 F HN 0.387 nan 8.300 nan 0.000 0.493 199 D N 2.749 123.113 120.400 -0.059 0.000 2.312 199 D HA 0.429 5.073 4.640 0.007 0.000 0.252 199 D C -0.091 176.035 176.300 -0.290 0.000 1.150 199 D CA 0.158 54.052 54.000 -0.177 0.000 0.870 199 D CB 1.375 42.108 40.800 -0.112 0.000 1.153 199 D HN 0.664 nan 8.370 nan 0.000 0.457 200 A N 4.583 127.094 122.820 -0.514 0.000 2.610 200 A HA 0.161 4.485 4.320 0.007 0.000 0.290 200 A C 1.290 178.587 177.584 -0.479 0.000 1.001 200 A CA -0.409 51.112 52.037 -0.859 0.000 1.004 200 A CB 0.149 18.126 19.000 -1.706 0.000 1.220 200 A HN 0.562 nan 8.150 nan 0.000 0.507 201 R N 0.585 120.923 120.500 -0.270 0.000 2.323 201 R HA -0.044 4.300 4.340 0.007 0.000 0.198 201 R C 0.642 176.896 176.300 -0.076 0.000 0.988 201 R CA 1.100 57.110 56.100 -0.150 0.000 1.041 201 R CB 0.092 30.344 30.300 -0.081 0.000 0.926 201 R HN 0.648 nan 8.270 nan 0.000 0.476 202 D N -0.507 119.869 120.400 -0.039 0.000 2.349 202 D HA -0.070 4.574 4.640 0.007 0.000 0.215 202 D C 0.494 176.858 176.300 0.107 0.000 1.016 202 D CA -0.219 53.808 54.000 0.045 0.000 0.870 202 D CB -0.528 40.320 40.800 0.081 0.000 0.917 202 D HN -0.019 nan 8.370 nan 0.000 0.524 203 C N 1.693 121.050 119.300 0.095 0.000 2.634 203 C HA 0.337 4.801 4.460 0.007 0.000 0.418 203 C C 1.786 176.938 174.990 0.270 0.000 1.373 203 C CA 0.686 59.847 59.018 0.240 0.000 1.756 203 C CB -0.531 27.377 27.740 0.280 0.000 2.589 203 C HN 0.485 nan 8.230 nan 0.000 0.602 204 S N 2.561 118.447 115.700 0.310 0.000 2.687 204 S HA 0.274 4.748 4.470 0.007 0.000 0.247 204 S C 0.119 174.875 174.600 0.259 0.000 1.050 204 S CA 0.413 58.792 58.200 0.299 0.000 1.063 204 S CB -0.119 63.196 63.200 0.192 0.000 1.039 204 S HN 1.312 nan 8.310 nan 0.000 0.580 205 S N -0.347 115.502 115.700 0.249 0.000 2.607 205 S HA 0.816 5.290 4.470 0.007 0.000 0.273 205 S C 0.886 175.570 174.600 0.140 0.000 1.148 205 S CA -0.241 58.054 58.200 0.159 0.000 0.833 205 S CB 1.030 64.302 63.200 0.119 0.000 1.130 205 S HN 0.591 nan 8.310 nan 0.000 0.470 206 A N 0.784 123.660 122.820 0.094 0.000 1.972 206 A HA -0.069 4.256 4.320 0.007 0.000 0.219 206 A C 2.118 179.708 177.584 0.011 0.000 1.169 206 A CA 2.172 54.262 52.037 0.088 0.000 0.635 206 A CB -1.187 17.915 19.000 0.171 0.000 0.810 206 A HN 0.901 nan 8.150 nan 0.000 0.446 207 Q N 0.316 120.177 119.800 0.101 0.000 2.050 207 Q HA -0.197 4.147 4.340 0.007 0.000 0.202 207 Q C 1.890 177.878 176.000 -0.020 0.000 0.980 207 Q CA 2.402 58.221 55.803 0.027 0.000 0.840 207 Q CB -0.485 28.337 28.738 0.139 0.000 0.898 207 Q HN 0.725 nan 8.270 nan 0.000 0.424 208 E N -0.831 119.403 120.200 0.058 0.000 2.110 208 E HA -0.183 4.171 4.350 0.007 0.000 0.193 208 E C 1.966 178.682 176.600 0.193 0.000 0.988 208 E CA 1.237 57.691 56.400 0.089 0.000 0.804 208 E CB -0.103 29.704 29.700 0.177 0.000 0.745 208 E HN 0.460 nan 8.360 nan 0.000 0.458 209 M N -0.289 119.408 119.600 0.161 0.000 2.117 209 M HA -0.169 4.315 4.480 0.007 0.000 0.262 209 M C 2.117 178.480 176.300 0.104 0.000 1.065 209 M CA 1.216 56.586 55.300 0.117 0.000 1.114 209 M CB -0.310 32.181 32.600 -0.182 0.000 1.361 209 M HN 0.191 nan 8.290 nan 0.000 0.408 210 F N 1.283 121.047 119.950 -0.310 0.000 2.069 210 F HA -0.224 4.308 4.527 0.009 0.000 0.298 210 F C 2.327 178.013 175.800 -0.190 0.000 1.113 210 F CA 2.074 59.819 58.000 -0.424 0.000 1.214 210 F CB -0.965 37.434 39.000 -1.001 0.000 0.978 210 F HN 0.072 nan 8.300 nan 0.000 0.474 211 T N -0.096 114.278 114.554 -0.301 0.000 2.597 211 T HA -0.298 4.056 4.350 0.007 0.000 0.267 211 T C 1.757 176.284 174.700 -0.289 0.000 1.053 211 T CA 2.179 64.060 62.100 -0.366 0.000 1.165 211 T CB -0.975 67.717 68.868 -0.293 0.000 0.863 211 T HN 0.298 nan 8.240 nan 0.000 0.427 212 Y N 1.007 121.248 120.300 -0.098 0.000 2.151 212 Y HA -0.087 4.466 4.550 0.005 0.000 0.284 212 Y C 2.302 178.157 175.900 -0.075 0.000 1.166 212 Y CA 0.590 58.649 58.100 -0.068 0.000 1.163 212 Y CB -0.705 37.810 38.460 0.091 0.000 0.974 212 Y HN 0.213 nan 8.280 nan 0.000 0.511 213 I N -1.681 118.971 120.570 0.137 0.000 2.226 213 I HA -0.351 3.823 4.170 0.007 0.000 0.245 213 I C 2.286 178.358 176.117 -0.076 0.000 1.100 213 I CA 1.043 62.371 61.300 0.048 0.000 1.374 213 I CB -0.470 37.565 38.000 0.058 0.000 1.057 213 I HN 0.264 nan 8.210 nan 0.000 0.413 214 C N 0.569 119.704 119.300 -0.274 0.000 2.435 214 C HA -0.093 4.372 4.460 0.007 0.000 0.279 214 C C 2.591 177.486 174.990 -0.158 0.000 1.321 214 C CA 0.654 59.500 59.018 -0.286 0.000 1.752 214 C CB -1.387 26.040 27.740 -0.520 0.000 1.959 214 C HN 0.539 nan 8.230 nan 0.000 0.500 215 N N 0.236 118.834 118.700 -0.170 0.000 2.084 215 N HA -0.133 4.612 4.740 0.007 0.000 0.190 215 N C 1.412 176.848 175.510 -0.124 0.000 1.030 215 N CA 1.447 54.394 53.050 -0.172 0.000 0.849 215 N CB -0.823 37.505 38.487 -0.266 0.000 1.012 215 N HN 0.716 nan 8.380 nan 0.000 0.423 216 H N 0.617 119.568 119.070 -0.198 0.000 2.265 216 H HA -0.009 4.552 4.556 0.009 0.000 0.295 216 H C 2.077 177.445 175.328 0.066 0.000 1.084 216 H CA 1.960 57.971 56.048 -0.062 0.000 1.261 216 H CB -0.176 29.586 29.762 0.000 0.000 1.360 216 H HN 0.111 nan 8.280 nan 0.000 0.487 217 I N 0.493 121.206 120.570 0.240 0.000 2.163 217 I HA -0.300 3.875 4.170 0.007 0.000 0.243 217 I C 2.520 178.698 176.117 0.102 0.000 1.085 217 I CA 1.414 62.812 61.300 0.163 0.000 1.347 217 I CB -0.311 37.723 38.000 0.058 0.000 1.044 217 I HN 0.336 nan 8.210 nan 0.000 0.408 218 K N 0.083 120.514 120.400 0.053 0.000 1.991 218 K HA -0.264 4.060 4.320 0.007 0.000 0.212 218 K C 2.265 178.897 176.600 0.053 0.000 1.049 218 K CA 2.075 58.380 56.287 0.031 0.000 0.932 218 K CB -0.614 31.885 32.500 -0.002 0.000 0.717 218 K HN 0.244 nan 8.250 nan 0.000 0.441 219 Y N 1.279 121.570 120.300 -0.015 0.000 2.114 219 Y HA -0.318 4.233 4.550 0.002 0.000 0.282 219 Y C 2.185 178.124 175.900 0.064 0.000 1.165 219 Y CA 1.900 60.021 58.100 0.035 0.000 1.148 219 Y CB -0.310 38.204 38.460 0.090 0.000 0.972 219 Y HN 0.116 nan 8.280 nan 0.000 0.504 220 A N -1.271 121.624 122.820 0.126 0.000 1.929 220 A HA -0.094 4.230 4.320 0.007 0.000 0.216 220 A C 2.181 179.790 177.584 0.042 0.000 1.176 220 A CA 1.915 54.012 52.037 0.101 0.000 0.628 220 A CB -1.081 18.034 19.000 0.192 0.000 0.816 220 A HN 0.498 nan 8.150 nan 0.000 0.444 221 T N -0.189 114.392 114.554 0.046 0.000 2.809 221 T HA -0.063 4.291 4.350 0.007 0.000 0.260 221 T C 1.056 175.750 174.700 -0.010 0.000 1.039 221 T CA 1.047 63.176 62.100 0.047 0.000 1.141 221 T CB -0.380 68.520 68.868 0.053 0.000 0.869 221 T HN 0.613 nan 8.240 nan 0.000 0.437 222 N N 1.348 120.012 118.700 -0.060 0.000 2.707 222 N HA -0.262 4.482 4.740 0.007 0.000 0.253 222 N C -0.159 175.314 175.510 -0.060 0.000 0.998 222 N CA 0.494 53.484 53.050 -0.100 0.000 0.751 222 N CB -1.355 37.022 38.487 -0.184 0.000 0.920 222 N HN 0.457 nan 8.380 nan 0.000 0.539 223 R N -1.993 118.485 120.500 -0.036 0.000 3.627 223 R HA -0.221 4.123 4.340 0.007 0.000 0.281 223 R C 1.255 177.535 176.300 -0.032 0.000 1.140 223 R CA 1.284 57.366 56.100 -0.030 0.000 0.761 223 R CB -1.924 28.356 30.300 -0.034 0.000 1.181 223 R HN 1.067 nan 8.270 nan 0.000 0.472 224 G N -0.352 108.436 108.800 -0.020 0.000 2.234 224 G HA2 -0.325 3.639 3.960 0.007 0.000 0.235 224 G HA3 -0.325 3.639 3.960 0.007 0.000 0.235 224 G C -0.045 174.839 174.900 -0.026 0.000 0.997 224 G CA 0.101 45.192 45.100 -0.015 0.000 0.623 224 G HN 0.383 nan 8.290 nan 0.000 0.514 225 N N 1.497 120.169 118.700 -0.048 0.000 2.968 225 N HA 0.398 5.142 4.740 0.007 0.000 0.271 225 N C 0.344 175.817 175.510 -0.062 0.000 1.174 225 N CA -0.377 52.628 53.050 -0.075 0.000 1.096 225 N CB -0.261 38.177 38.487 -0.082 0.000 1.403 225 N HN 0.164 nan 8.380 nan 0.000 0.522 226 L N 2.420 123.630 121.223 -0.021 0.000 2.456 226 L HA 0.228 4.572 4.340 0.007 0.000 0.272 226 L C 0.918 177.905 176.870 0.195 0.000 1.189 226 L CA 0.600 55.506 54.840 0.110 0.000 0.846 226 L CB 0.119 42.338 42.059 0.267 0.000 1.111 226 L HN 0.321 nan 8.230 nan 0.000 0.475 227 R N 1.279 121.880 120.500 0.169 0.000 2.599 227 R HA 0.453 4.797 4.340 0.007 0.000 0.295 227 R C -0.487 175.958 176.300 0.243 0.000 0.963 227 R CA -0.695 55.529 56.100 0.206 0.000 0.883 227 R CB 1.676 31.970 30.300 -0.010 0.000 1.171 227 R HN 0.569 nan 8.270 nan 0.000 0.450 228 S N 1.499 117.341 115.700 0.238 0.000 2.533 228 S HA 0.414 4.888 4.470 0.007 0.000 0.282 228 S C -0.266 174.370 174.600 0.061 0.000 1.304 228 S CA -0.210 58.038 58.200 0.080 0.000 1.063 228 S CB 1.085 64.292 63.200 0.011 0.000 0.881 228 S HN 0.687 nan 8.310 nan 0.000 0.493 229 A N 2.983 125.809 122.820 0.009 0.000 2.609 229 A HA 0.862 5.187 4.320 0.007 0.000 0.291 229 A C -1.233 176.401 177.584 0.084 0.000 1.096 229 A CA -0.674 51.314 52.037 -0.080 0.000 0.684 229 A CB 1.276 20.159 19.000 -0.195 0.000 1.282 229 A HN 0.793 nan 8.150 nan 0.000 0.412 230 I N 0.273 120.891 120.570 0.079 0.000 2.692 230 I HA 0.558 4.733 4.170 0.007 0.000 0.293 230 I C -1.279 174.966 176.117 0.214 0.000 1.200 230 I CA -0.088 61.380 61.300 0.279 0.000 1.036 230 I CB 2.416 40.511 38.000 0.158 0.000 1.258 230 I HN 0.595 nan 8.210 nan 0.000 0.421 231 T N 6.361 121.044 114.554 0.215 0.000 2.809 231 T HA 0.388 4.742 4.350 0.007 0.000 0.296 231 T C -0.634 173.857 174.700 -0.349 0.000 1.015 231 T CA -0.321 61.763 62.100 -0.027 0.000 0.954 231 T CB 1.315 70.191 68.868 0.013 0.000 0.950 231 T HN 0.248 nan 8.240 nan 0.000 0.450 232 V N 5.615 125.275 119.914 -0.423 0.000 2.334 232 V HA 0.385 4.509 4.120 0.007 0.000 0.267 232 V C -0.078 175.689 176.094 -0.544 0.000 1.040 232 V CA -0.693 61.337 62.300 -0.450 0.000 0.866 232 V CB -0.688 30.803 31.823 -0.553 0.000 1.019 232 V HN 0.696 nan 8.190 nan 0.000 0.468 233 F N 5.771 125.588 119.950 -0.222 0.000 2.390 233 F HA 0.428 4.961 4.527 0.009 0.000 0.307 233 F C -1.645 173.998 175.800 -0.261 0.000 1.227 233 F CA -2.192 55.626 58.000 -0.304 0.000 1.179 233 F CB -0.066 38.786 39.000 -0.246 0.000 1.280 233 F HN 0.283 nan 8.300 nan 0.000 0.548 234 P HA 0.041 nan 4.420 nan 0.000 0.269 234 P C -1.211 176.123 177.300 0.058 0.000 1.209 234 P CA -0.342 62.625 63.100 -0.222 0.000 0.776 234 P CB 0.293 31.661 31.700 -0.553 0.000 0.876 235 Q N 2.323 122.202 119.800 0.132 0.000 2.354 235 Q HA 0.207 4.551 4.340 0.007 0.000 0.244 235 Q C 0.103 176.070 176.000 -0.056 0.000 0.969 235 Q CA -0.841 54.879 55.803 -0.139 0.000 0.885 235 Q CB 0.788 29.161 28.738 -0.607 0.000 1.241 235 Q HN 0.285 nan 8.270 nan 0.000 0.461 236 R N 0.981 121.428 120.500 -0.089 0.000 2.523 236 R HA 0.154 4.498 4.340 0.007 0.000 0.281 236 R C -1.120 175.152 176.300 -0.048 0.000 0.969 236 R CA 0.757 56.842 56.100 -0.025 0.000 1.093 236 R CB 0.080 30.348 30.300 -0.054 0.000 0.917 236 R HN 0.680 nan 8.270 nan 0.000 0.408 237 A N 5.725 128.553 122.820 0.014 0.000 2.322 237 A HA 0.660 4.984 4.320 0.007 0.000 0.327 237 A C -2.409 175.176 177.584 0.003 0.000 1.134 237 A CA -1.842 50.198 52.037 0.005 0.000 0.831 237 A CB 1.146 20.177 19.000 0.052 0.000 1.288 237 A HN 0.733 nan 8.150 nan 0.000 0.472 238 P HA 0.389 nan 4.420 nan 0.000 0.287 238 P C 0.470 177.777 177.300 0.011 0.000 1.281 238 P CA 0.853 63.954 63.100 0.000 0.000 0.781 238 P CB 0.962 32.661 31.700 -0.003 0.000 0.903 239 G N 2.636 111.442 108.800 0.010 0.000 2.371 239 G HA2 -0.233 3.732 3.960 0.007 0.000 0.299 239 G HA3 -0.233 3.732 3.960 0.007 0.000 0.299 239 G C 0.056 174.967 174.900 0.019 0.000 1.014 239 G CA -0.109 44.999 45.100 0.013 0.000 1.097 239 G HN 0.810 nan 8.290 nan 0.000 0.512 240 R N 0.035 120.548 120.500 0.021 0.000 2.659 240 R HA 0.450 4.795 4.340 0.007 0.000 0.290 240 R C 0.720 177.034 176.300 0.022 0.000 1.253 240 R CA 0.056 56.171 56.100 0.026 0.000 1.010 240 R CB 0.289 30.616 30.300 0.044 0.000 1.236 240 R HN 0.908 nan 8.270 nan 0.000 0.413 241 G N 2.667 111.469 108.800 0.004 0.000 2.707 241 G HA2 -0.080 3.884 3.960 0.007 0.000 0.231 241 G HA3 -0.080 3.884 3.960 0.007 0.000 0.231 241 G C -0.160 174.735 174.900 -0.010 0.000 1.246 241 G CA -0.128 44.970 45.100 -0.003 0.000 0.852 241 G HN 0.598 nan 8.290 nan 0.000 0.584 242 D N -0.484 119.926 120.400 0.017 0.000 2.354 242 D HA 0.301 4.945 4.640 0.007 0.000 0.247 242 D C -0.022 176.288 176.300 0.017 0.000 1.138 242 D CA 0.163 54.209 54.000 0.077 0.000 0.958 242 D CB 0.673 41.529 40.800 0.093 0.000 1.144 242 D HN 0.111 nan 8.370 nan 0.000 0.458 243 F N 0.940 120.927 119.950 0.061 0.000 2.410 243 F HA 0.338 4.870 4.527 0.008 0.000 0.348 243 F C 0.934 176.771 175.800 0.062 0.000 1.106 243 F CA -0.080 57.944 58.000 0.039 0.000 1.163 243 F CB 0.680 39.694 39.000 0.023 0.000 1.129 243 F HN -0.227 nan 8.300 nan 0.000 0.516 244 R N 3.994 124.617 120.500 0.204 0.000 2.522 244 R HA 0.435 4.779 4.340 0.007 0.000 0.283 244 R C -1.166 175.292 176.300 0.263 0.000 1.074 244 R CA -0.774 55.468 56.100 0.236 0.000 0.925 244 R CB 1.937 32.404 30.300 0.278 0.000 1.205 244 R HN 0.633 nan 8.270 nan 0.000 0.436 245 I N 2.725 123.426 120.570 0.219 0.000 2.371 245 I HA 0.128 4.302 4.170 0.007 0.000 0.290 245 I C 0.665 177.012 176.117 0.385 0.000 1.028 245 I CA -0.308 61.128 61.300 0.227 0.000 1.345 245 I CB 0.852 38.923 38.000 0.118 0.000 1.407 245 I HN 0.506 nan 8.210 nan 0.000 0.501 246 W N 3.342 124.687 121.300 0.074 0.000 2.453 246 W HA -0.011 4.653 4.660 0.007 0.000 0.289 246 W C 0.969 177.594 176.519 0.177 0.000 1.215 246 W CA -0.117 57.337 57.345 0.183 0.000 1.297 246 W CB -0.938 28.629 29.460 0.179 0.000 1.113 246 W HN 0.400 nan 8.180 nan 0.000 0.551 247 N N 0.215 119.090 118.700 0.292 0.000 2.416 247 N HA -0.013 4.731 4.740 0.007 0.000 0.246 247 N C 1.360 176.944 175.510 0.123 0.000 1.260 247 N CA 0.987 54.130 53.050 0.155 0.000 0.897 247 N CB 0.645 39.161 38.487 0.047 0.000 1.110 247 N HN -0.073 nan 8.380 nan 0.000 0.439 248 S N 0.435 116.195 115.700 0.100 0.000 2.458 248 S HA 0.041 4.515 4.470 0.007 0.000 0.223 248 S C 0.360 174.963 174.600 0.005 0.000 1.019 248 S CA 0.421 58.666 58.200 0.074 0.000 0.937 248 S CB 0.169 63.434 63.200 0.109 0.000 0.788 248 S HN 0.627 nan 8.310 nan 0.000 0.511 249 Q N -0.529 119.263 119.800 -0.014 0.000 2.433 249 Q HA 0.530 4.874 4.340 0.007 0.000 0.279 249 Q C 0.392 176.321 176.000 -0.118 0.000 1.105 249 Q CA -0.608 55.148 55.803 -0.079 0.000 0.815 249 Q CB 1.964 30.681 28.738 -0.035 0.000 1.403 249 Q HN 0.127 nan 8.270 nan 0.000 0.435 250 L N 0.063 121.190 121.223 -0.159 0.000 2.017 250 L HA -0.025 4.319 4.340 0.007 0.000 0.208 250 L C 0.465 177.201 176.870 -0.223 0.000 1.073 250 L CA 0.976 55.722 54.840 -0.157 0.000 0.745 250 L CB 0.066 42.031 42.059 -0.156 0.000 0.894 250 L HN 0.296 nan 8.230 nan 0.000 0.432 251 V N 1.057 120.753 119.914 -0.363 0.000 2.357 251 V HA 0.407 4.531 4.120 0.007 0.000 0.284 251 V C -0.134 175.443 176.094 -0.861 0.000 1.018 251 V CA -0.518 61.380 62.300 -0.669 0.000 0.841 251 V CB 1.334 32.566 31.823 -0.984 0.000 0.991 251 V HN 0.237 nan 8.190 nan 0.000 0.437 252 R N 2.945 123.087 120.500 -0.596 0.000 2.668 252 R HA 0.501 4.845 4.340 0.007 0.000 0.272 252 R C -1.809 174.317 176.300 -0.291 0.000 1.019 252 R CA -0.885 54.977 56.100 -0.397 0.000 0.894 252 R CB 2.637 32.861 30.300 -0.125 0.000 1.228 252 R HN 0.536 nan 8.270 nan 0.000 0.460 253 Y N 0.580 120.877 120.300 -0.006 0.000 2.310 253 Y HA 0.384 4.938 4.550 0.007 0.000 0.326 253 Y C 0.916 176.801 175.900 -0.025 0.000 1.151 253 Y CA -0.597 57.517 58.100 0.022 0.000 1.195 253 Y CB 1.112 39.650 38.460 0.131 0.000 1.210 253 Y HN 0.665 nan 8.280 nan 0.000 0.483 254 A N 1.698 124.571 122.820 0.088 0.000 2.466 254 A HA 0.547 4.871 4.320 0.007 0.000 0.238 254 A C 0.589 177.950 177.584 -0.371 0.000 1.074 254 A CA 0.323 52.245 52.037 -0.193 0.000 0.774 254 A CB -0.253 18.573 19.000 -0.290 0.000 1.015 254 A HN 0.946 nan 8.150 nan 0.000 0.498 255 G N 0.395 108.937 108.800 -0.430 0.000 2.730 255 G HA2 0.544 4.508 3.960 0.007 0.000 0.291 255 G HA3 0.544 4.508 3.960 0.007 0.000 0.291 255 G C -1.272 173.431 174.900 -0.329 0.000 1.456 255 G CA -0.264 44.631 45.100 -0.341 0.000 0.996 255 G HN 0.483 nan 8.290 nan 0.000 0.528 256 Y N 1.197 121.509 120.300 0.020 0.000 2.335 256 Y HA 0.460 5.015 4.550 0.007 0.000 0.339 256 Y C 0.891 176.789 175.900 -0.003 0.000 0.987 256 Y CA -1.186 56.924 58.100 0.017 0.000 1.140 256 Y CB 1.433 39.898 38.460 0.008 0.000 1.173 256 Y HN 0.549 nan 8.280 nan 0.000 0.486 257 R N 3.494 124.084 120.500 0.150 0.000 2.347 257 R HA 0.159 4.503 4.340 0.007 0.000 0.304 257 R C -0.325 176.017 176.300 0.070 0.000 1.072 257 R CA -0.353 55.795 56.100 0.080 0.000 0.980 257 R CB 0.414 30.749 30.300 0.058 0.000 0.986 257 R HN 0.636 nan 8.270 nan 0.000 0.448 258 Q N 2.312 122.139 119.800 0.046 0.000 2.171 258 Q HA 0.036 4.380 4.340 0.007 0.000 0.217 258 Q C 0.300 176.308 176.000 0.014 0.000 0.995 258 Q CA -0.435 55.383 55.803 0.026 0.000 0.979 258 Q CB 0.735 29.484 28.738 0.018 0.000 1.152 258 Q HN 0.683 nan 8.270 nan 0.000 0.525 259 Q N 0.145 119.948 119.800 0.004 0.000 2.398 259 Q HA -0.079 4.265 4.340 0.007 0.000 0.204 259 Q C 0.498 176.499 176.000 0.001 0.000 0.932 259 Q CA 0.526 56.330 55.803 0.001 0.000 0.916 259 Q CB 0.540 29.275 28.738 -0.005 0.000 1.024 259 Q HN 0.531 nan 8.270 nan 0.000 0.504 260 D N -0.860 119.541 120.400 0.001 0.000 2.218 260 D HA -0.102 4.542 4.640 0.007 0.000 0.204 260 D C 1.364 177.667 176.300 0.005 0.000 0.976 260 D CA 1.360 55.361 54.000 0.002 0.000 0.853 260 D CB 0.056 40.857 40.800 0.001 0.000 0.939 260 D HN 0.450 nan 8.370 nan 0.000 0.481 261 G N 0.390 109.194 108.800 0.008 0.000 2.259 261 G HA2 -0.278 3.686 3.960 0.007 0.000 0.217 261 G HA3 -0.278 3.686 3.960 0.007 0.000 0.217 261 G C 0.617 175.523 174.900 0.011 0.000 1.001 261 G CA 0.441 45.547 45.100 0.010 0.000 0.627 261 G HN 0.653 nan 8.290 nan 0.000 0.501 262 S N -0.446 115.259 115.700 0.008 0.000 2.592 262 S HA 0.533 5.008 4.470 0.007 0.000 0.256 262 S C 0.246 174.849 174.600 0.005 0.000 1.369 262 S CA 0.455 58.658 58.200 0.004 0.000 0.984 262 S CB 1.715 64.915 63.200 0.001 0.000 0.919 262 S HN 1.257 nan 8.310 nan 0.000 0.576 263 V N 1.178 121.086 119.914 -0.010 0.000 2.540 263 V HA 0.558 4.682 4.120 0.007 0.000 0.302 263 V C 0.095 176.167 176.094 -0.035 0.000 1.035 263 V CA -0.836 61.454 62.300 -0.018 0.000 0.873 263 V CB 1.569 33.363 31.823 -0.049 0.000 0.992 263 V HN 0.941 nan 8.190 nan 0.000 0.428 264 R N 2.551 123.058 120.500 0.012 0.000 2.393 264 R HA 0.696 5.040 4.340 0.007 0.000 0.310 264 R C 0.533 176.803 176.300 -0.052 0.000 0.968 264 R CA 0.853 56.959 56.100 0.011 0.000 0.867 264 R CB 1.281 31.645 30.300 0.106 0.000 1.124 264 R HN 1.203 nan 8.270 nan 0.000 0.450 265 G N 2.841 111.529 108.800 -0.187 0.000 2.466 265 G HA2 -0.247 3.717 3.960 0.007 0.000 0.218 265 G HA3 -0.247 3.717 3.960 0.007 0.000 0.218 265 G C -1.288 173.303 174.900 -0.515 0.000 1.237 265 G CA -0.105 44.825 45.100 -0.283 0.000 0.954 265 G HN 0.635 nan 8.290 nan 0.000 0.580 266 D N 1.523 121.744 120.400 -0.297 0.000 2.359 266 D HA 0.558 5.202 4.640 0.007 0.000 0.230 266 D C -1.203 175.009 176.300 -0.147 0.000 1.118 266 D CA -1.921 51.919 54.000 -0.266 0.000 0.844 266 D CB 1.534 42.489 40.800 0.258 0.000 1.059 266 D HN -0.010 nan 8.370 nan 0.000 0.493 267 P HA 0.001 nan 4.420 nan 0.000 0.226 267 P C 0.878 178.186 177.300 0.013 0.000 1.153 267 P CA 0.521 63.579 63.100 -0.071 0.000 0.777 267 P CB 0.287 31.949 31.700 -0.063 0.000 0.794 268 A N -0.234 122.617 122.820 0.053 0.000 2.070 268 A HA -0.143 4.181 4.320 0.007 0.000 0.220 268 A C 1.708 179.352 177.584 0.099 0.000 1.159 268 A CA 1.487 53.589 52.037 0.109 0.000 0.656 268 A CB -0.795 18.299 19.000 0.158 0.000 0.800 268 A HN 0.151 nan 8.150 nan 0.000 0.453 269 N N -0.924 117.815 118.700 0.065 0.000 2.235 269 N HA 0.139 4.883 4.740 0.007 0.000 0.231 269 N C 0.972 176.490 175.510 0.014 0.000 1.177 269 N CA 0.107 53.188 53.050 0.052 0.000 0.874 269 N CB 0.847 39.364 38.487 0.049 0.000 1.097 269 N HN 0.159 nan 8.380 nan 0.000 0.518 270 V N 0.985 120.909 119.914 0.016 0.000 2.490 270 V HA -0.175 3.949 4.120 0.007 0.000 0.250 270 V C 2.310 178.412 176.094 0.014 0.000 1.061 270 V CA 1.623 63.927 62.300 0.007 0.000 1.064 270 V CB -0.056 31.778 31.823 0.018 0.000 0.670 270 V HN 0.303 nan 8.190 nan 0.000 0.461 271 E N -0.529 119.685 120.200 0.024 0.000 2.028 271 E HA -0.177 4.177 4.350 0.007 0.000 0.190 271 E C 2.146 178.689 176.600 -0.094 0.000 0.984 271 E CA 1.379 57.774 56.400 -0.010 0.000 0.800 271 E CB -0.179 29.563 29.700 0.070 0.000 0.758 271 E HN 0.494 nan 8.360 nan 0.000 0.448 272 I N 1.187 121.721 120.570 -0.060 0.000 2.394 272 I HA -0.194 3.980 4.170 0.007 0.000 0.251 272 I C 2.076 178.159 176.117 -0.058 0.000 1.136 272 I CA 1.350 62.593 61.300 -0.096 0.000 1.425 272 I CB -0.350 37.652 38.000 0.003 0.000 1.079 272 I HN 0.017 nan 8.210 nan 0.000 0.425 273 T N 0.030 114.573 114.554 -0.019 0.000 2.708 273 T HA -0.203 4.151 4.350 0.007 0.000 0.266 273 T C 1.790 176.555 174.700 0.110 0.000 1.037 273 T CA 1.829 63.958 62.100 0.048 0.000 1.146 273 T CB -0.278 68.606 68.868 0.026 0.000 0.865 273 T HN 0.431 nan 8.240 nan 0.000 0.435 274 E N 0.469 120.701 120.200 0.054 0.000 2.150 274 E HA -0.007 4.348 4.350 0.007 0.000 0.193 274 E C 2.152 178.772 176.600 0.033 0.000 0.985 274 E CA 0.627 57.059 56.400 0.054 0.000 0.814 274 E CB -0.218 29.492 29.700 0.018 0.000 0.752 274 E HN 0.405 nan 8.360 nan 0.000 0.466 275 L N -0.039 121.170 121.223 -0.024 0.000 2.093 275 L HA -0.194 4.150 4.340 0.007 0.000 0.208 275 L C 2.433 179.391 176.870 0.147 0.000 1.085 275 L CA 0.577 55.433 54.840 0.026 0.000 0.755 275 L CB -0.219 41.751 42.059 -0.148 0.000 0.904 275 L HN 0.308 nan 8.230 nan 0.000 0.435 276 C N -0.193 119.157 119.300 0.083 0.000 2.440 276 C HA -0.114 4.350 4.460 0.007 0.000 0.278 276 C C 2.706 177.840 174.990 0.241 0.000 1.295 276 C CA 0.477 59.557 59.018 0.103 0.000 1.738 276 C CB -0.546 27.190 27.740 -0.008 0.000 1.987 276 C HN 0.423 nan 8.230 nan 0.000 0.492 277 I N 0.358 121.083 120.570 0.258 0.000 2.252 277 I HA -0.233 3.941 4.170 0.007 0.000 0.245 277 I C 2.557 178.726 176.117 0.088 0.000 1.102 277 I CA 1.493 62.916 61.300 0.203 0.000 1.385 277 I CB -0.533 37.560 38.000 0.155 0.000 1.064 277 I HN 0.405 nan 8.210 nan 0.000 0.414 278 Q N -0.342 119.482 119.800 0.041 0.000 2.291 278 Q HA -0.200 4.144 4.340 0.007 0.000 0.206 278 Q C 1.385 177.283 176.000 -0.169 0.000 0.976 278 Q CA 1.223 56.981 55.803 -0.075 0.000 0.875 278 Q CB -0.103 28.559 28.738 -0.126 0.000 0.927 278 Q HN 0.603 nan 8.270 nan 0.000 0.450 279 H N -1.796 117.261 119.070 -0.022 0.000 2.526 279 H HA 0.221 4.781 4.556 0.007 0.000 0.274 279 H C 0.783 176.082 175.328 -0.049 0.000 0.999 279 H CA 0.566 56.575 56.048 -0.064 0.000 1.157 279 H CB 0.916 30.598 29.762 -0.133 0.000 1.407 279 H HN 0.362 nan 8.280 nan 0.000 0.568 280 G N -0.497 108.347 108.800 0.073 0.000 2.175 280 G HA2 -0.237 3.727 3.960 0.007 0.000 0.182 280 G HA3 -0.237 3.727 3.960 0.007 0.000 0.182 280 G C -0.257 174.711 174.900 0.115 0.000 1.003 280 G CA -0.349 44.780 45.100 0.049 0.000 0.666 280 G HN 0.297 nan 8.290 nan 0.000 0.506 281 W N 2.727 124.003 121.300 -0.040 0.000 2.251 281 W HA 0.595 5.260 4.660 0.007 0.000 0.327 281 W C 0.377 176.886 176.519 -0.017 0.000 1.361 281 W CA 0.433 57.759 57.345 -0.032 0.000 1.234 281 W CB 0.633 30.085 29.460 -0.012 0.000 1.212 281 W HN 0.033 nan 8.180 nan 0.000 0.557 282 T N 9.806 124.103 114.554 -0.428 0.000 2.727 282 T HA 0.194 4.548 4.350 0.007 0.000 0.295 282 T C -2.009 171.938 174.700 -1.255 0.000 0.915 282 T CA -0.765 60.982 62.100 -0.588 0.000 1.066 282 T CB 0.433 69.101 68.868 -0.333 0.000 0.891 282 T HN 0.236 nan 8.240 nan 0.000 0.516 283 P HA 0.443 nan 4.420 nan 0.000 0.281 283 P C 0.350 177.214 177.300 -0.726 0.000 1.264 283 P CA -0.431 61.841 63.100 -1.380 0.000 0.824 283 P CB 1.167 32.477 31.700 -0.650 0.000 1.092 284 G N 0.703 109.234 108.800 -0.449 0.000 2.695 284 G HA2 0.360 4.324 3.960 0.007 0.000 0.213 284 G HA3 0.360 4.324 3.960 0.007 0.000 0.213 284 G C 0.034 174.670 174.900 -0.441 0.000 1.406 284 G CA -0.447 44.514 45.100 -0.232 0.000 1.049 284 G HN 0.704 nan 8.290 nan 0.000 0.573 285 N N -1.163 117.409 118.700 -0.214 0.000 2.423 285 N HA 0.213 4.957 4.740 0.007 0.000 0.262 285 N C 0.127 175.641 175.510 0.007 0.000 1.467 285 N CA 0.168 53.056 53.050 -0.269 0.000 0.847 285 N CB 0.137 38.478 38.487 -0.242 0.000 1.394 285 N HN 0.723 nan 8.380 nan 0.000 0.495 286 G N 0.203 109.104 108.800 0.169 0.000 2.552 286 G HA2 0.459 4.423 3.960 0.007 0.000 0.318 286 G HA3 0.459 4.423 3.960 0.007 0.000 0.318 286 G C 0.383 175.345 174.900 0.104 0.000 1.240 286 G CA -0.872 44.309 45.100 0.135 0.000 1.002 286 G HN 0.157 nan 8.290 nan 0.000 0.493 287 R N -1.149 119.290 120.500 -0.101 0.000 2.297 287 R HA 0.171 4.515 4.340 0.007 0.000 0.197 287 R C -0.341 175.449 176.300 -0.850 0.000 0.943 287 R CA 0.563 56.382 56.100 -0.468 0.000 1.038 287 R CB 0.168 30.044 30.300 -0.706 0.000 0.957 287 R HN 0.332 nan 8.270 nan 0.000 0.484 288 F N 0.561 120.451 119.950 -0.100 0.000 2.556 288 F HA 0.258 4.789 4.527 0.007 0.000 0.384 288 F C -0.742 174.977 175.800 -0.135 0.000 1.493 288 F CA -1.351 56.327 58.000 -0.536 0.000 1.119 288 F CB 0.535 39.143 39.000 -0.653 0.000 1.280 288 F HN -0.238 nan 8.300 nan 0.000 0.525 289 D N 1.612 122.160 120.400 0.247 0.000 2.295 289 D HA 0.250 4.894 4.640 0.007 0.000 0.248 289 D C 0.214 176.765 176.300 0.418 0.000 1.154 289 D CA 0.107 54.328 54.000 0.369 0.000 0.857 289 D CB 2.215 43.300 40.800 0.475 0.000 1.117 289 D HN -0.093 nan 8.370 nan 0.000 0.468 290 V N 3.566 123.687 119.914 0.346 0.000 2.585 290 V HA 0.024 4.148 4.120 0.007 0.000 0.296 290 V C 0.998 177.076 176.094 -0.028 0.000 1.035 290 V CA -0.369 62.015 62.300 0.140 0.000 1.084 290 V CB 0.300 32.154 31.823 0.051 0.000 0.953 290 V HN 0.345 nan 8.190 nan 0.000 0.483 291 L N 7.933 129.046 121.223 -0.183 0.000 2.417 291 L HA 0.335 4.680 4.340 0.007 0.000 0.268 291 L C -1.614 174.980 176.870 -0.461 0.000 1.158 291 L CA -1.358 53.220 54.840 -0.436 0.000 0.819 291 L CB 0.855 42.711 42.059 -0.338 0.000 1.112 291 L HN 0.505 nan 8.230 nan 0.000 0.458 292 P HA 0.130 nan 4.420 nan 0.000 0.274 292 P C -1.074 176.051 177.300 -0.291 0.000 1.256 292 P CA -0.598 62.219 63.100 -0.471 0.000 0.795 292 P CB 0.847 32.156 31.700 -0.651 0.000 1.038 293 L N 1.208 122.343 121.223 -0.146 0.000 2.312 293 L HA 0.289 4.633 4.340 0.007 0.000 0.281 293 L C 0.177 176.995 176.870 -0.086 0.000 1.070 293 L CA -0.459 54.346 54.840 -0.059 0.000 0.805 293 L CB 0.094 42.191 42.059 0.063 0.000 1.174 293 L HN 0.258 nan 8.230 nan 0.000 0.434 294 L N 5.060 126.219 121.223 -0.107 0.000 2.295 294 L HA 0.478 4.822 4.340 0.007 0.000 0.281 294 L C -0.544 176.183 176.870 -0.237 0.000 1.018 294 L CA -0.028 54.650 54.840 -0.270 0.000 0.841 294 L CB 0.744 42.577 42.059 -0.376 0.000 1.218 294 L HN 0.368 nan 8.230 nan 0.000 0.424 295 L N 3.909 125.040 121.223 -0.155 0.000 2.307 295 L HA 0.555 4.900 4.340 0.007 0.000 0.284 295 L C -0.164 176.617 176.870 -0.149 0.000 1.023 295 L CA -0.507 54.293 54.840 -0.066 0.000 0.810 295 L CB 1.900 43.991 42.059 0.053 0.000 1.231 295 L HN 0.548 nan 8.230 nan 0.000 0.423 296 Q N 2.520 122.263 119.800 -0.095 0.000 2.330 296 Q HA 0.715 5.059 4.340 0.007 0.000 0.269 296 Q C -1.301 174.630 176.000 -0.116 0.000 1.022 296 Q CA -0.545 55.205 55.803 -0.088 0.000 0.796 296 Q CB 2.276 31.082 28.738 0.113 0.000 1.271 296 Q HN 0.783 nan 8.270 nan 0.000 0.450 297 A N 4.789 127.493 122.820 -0.193 0.000 2.320 297 A HA 0.714 5.038 4.320 0.007 0.000 0.334 297 A C -2.491 174.840 177.584 -0.421 0.000 1.147 297 A CA -1.893 49.882 52.037 -0.436 0.000 0.820 297 A CB 0.610 19.450 19.000 -0.268 0.000 1.218 297 A HN 0.630 nan 8.150 nan 0.000 0.482 298 P HA 0.023 nan 4.420 nan 0.000 0.255 298 P C -0.709 176.495 177.300 -0.160 0.000 1.161 298 P CA 1.269 64.154 63.100 -0.359 0.000 0.768 298 P CB 0.054 31.538 31.700 -0.360 0.000 0.746 299 D N 0.410 120.758 120.400 -0.086 0.000 3.041 299 D HA -0.179 4.465 4.640 0.007 0.000 0.220 299 D C -0.053 176.232 176.300 -0.025 0.000 1.157 299 D CA 1.247 55.227 54.000 -0.032 0.000 0.876 299 D CB -1.214 39.574 40.800 -0.020 0.000 1.107 299 D HN 0.528 nan 8.370 nan 0.000 0.422 300 E N -0.579 119.596 120.200 -0.042 0.000 2.235 300 E HA 0.698 5.052 4.350 0.007 0.000 0.265 300 E C 0.183 176.775 176.600 -0.013 0.000 0.940 300 E CA -0.757 55.624 56.400 -0.032 0.000 0.819 300 E CB 1.456 31.122 29.700 -0.056 0.000 1.206 300 E HN 0.164 nan 8.360 nan 0.000 0.409 301 A N 2.493 125.306 122.820 -0.012 0.000 2.448 301 A HA 0.289 4.613 4.320 0.007 0.000 0.239 301 A C -2.145 175.347 177.584 -0.153 0.000 1.080 301 A CA -0.857 51.166 52.037 -0.024 0.000 0.779 301 A CB -0.433 18.569 19.000 0.004 0.000 1.026 301 A HN 0.319 nan 8.150 nan 0.000 0.499 302 P HA 0.322 nan 4.420 nan 0.000 0.276 302 P C -0.644 176.405 177.300 -0.419 0.000 1.244 302 P CA -0.175 62.592 63.100 -0.555 0.000 0.801 302 P CB 0.732 31.648 31.700 -1.305 0.000 1.006 303 E N 0.116 120.128 120.200 -0.315 0.000 2.221 303 E HA 0.491 4.845 4.350 0.007 0.000 0.268 303 E C -0.854 175.466 176.600 -0.468 0.000 0.933 303 E CA -1.041 55.151 56.400 -0.346 0.000 0.809 303 E CB 1.544 31.084 29.700 -0.266 0.000 1.190 303 E HN 0.262 nan 8.360 nan 0.000 0.406 304 L N 2.207 123.038 121.223 -0.654 0.000 2.322 304 L HA 0.523 4.868 4.340 0.007 0.000 0.279 304 L C -1.636 174.669 176.870 -0.942 0.000 1.036 304 L CA -0.026 54.471 54.840 -0.572 0.000 0.807 304 L CB 0.424 42.272 42.059 -0.352 0.000 1.226 304 L HN 0.415 nan 8.230 nan 0.000 0.433 305 F N 3.750 123.485 119.950 -0.360 0.000 2.574 305 F HA 0.485 5.017 4.527 0.009 0.000 0.313 305 F C -0.568 174.984 175.800 -0.414 0.000 1.130 305 F CA -0.895 56.767 58.000 -0.562 0.000 0.936 305 F CB 1.974 40.347 39.000 -1.046 0.000 1.219 305 F HN 0.044 nan 8.300 nan 0.000 0.445 306 V N 4.506 124.326 119.914 -0.157 0.000 2.407 306 V HA 0.327 4.451 4.120 0.007 0.000 0.278 306 V C 0.140 176.303 176.094 0.114 0.000 1.037 306 V CA -0.788 61.496 62.300 -0.027 0.000 0.900 306 V CB 1.298 33.144 31.823 0.039 0.000 0.983 306 V HN 0.536 nan 8.190 nan 0.000 0.459 307 L N 7.219 128.533 121.223 0.151 0.000 2.455 307 L HA 0.269 4.613 4.340 0.007 0.000 0.272 307 L C -2.067 174.902 176.870 0.165 0.000 1.174 307 L CA -1.408 53.567 54.840 0.224 0.000 0.869 307 L CB 0.153 42.284 42.059 0.119 0.000 1.130 307 L HN 0.430 nan 8.230 nan 0.000 0.474 308 P HA 0.079 nan 4.420 nan 0.000 0.267 308 P C -2.110 175.239 177.300 0.081 0.000 1.205 308 P CA -1.004 62.166 63.100 0.116 0.000 0.765 308 P CB 0.289 32.048 31.700 0.099 0.000 0.828 309 P HA -0.160 nan 4.420 nan 0.000 0.222 309 P C 1.286 178.614 177.300 0.048 0.000 1.147 309 P CA 1.075 64.214 63.100 0.065 0.000 0.790 309 P CB -0.112 31.631 31.700 0.071 0.000 0.780 310 E N -0.273 119.952 120.200 0.041 0.000 2.268 310 E HA -0.128 4.227 4.350 0.007 0.000 0.195 310 E C 1.534 178.146 176.600 0.021 0.000 0.995 310 E CA 0.952 57.368 56.400 0.027 0.000 0.836 310 E CB -1.026 28.688 29.700 0.022 0.000 0.763 310 E HN 0.230 nan 8.360 nan 0.000 0.491 311 L N 1.011 122.248 121.223 0.024 0.000 2.240 311 L HA 0.002 4.346 4.340 0.007 0.000 0.211 311 L C 0.875 177.755 176.870 0.018 0.000 1.106 311 L CA 0.699 55.548 54.840 0.015 0.000 0.793 311 L CB 0.290 42.354 42.059 0.008 0.000 0.927 311 L HN -0.092 nan 8.230 nan 0.000 0.446 312 V N 1.389 121.316 119.914 0.022 0.000 2.270 312 V HA 0.192 4.316 4.120 0.007 0.000 0.263 312 V C -0.041 176.074 176.094 0.035 0.000 1.066 312 V CA -0.841 61.469 62.300 0.016 0.000 0.857 312 V CB 0.834 32.655 31.823 -0.004 0.000 1.099 312 V HN -0.011 nan 8.190 nan 0.000 0.476 313 L N 5.111 126.360 121.223 0.043 0.000 2.410 313 L HA 0.387 4.732 4.340 0.007 0.000 0.273 313 L C 0.213 177.112 176.870 0.048 0.000 1.152 313 L CA 0.964 55.824 54.840 0.033 0.000 0.855 313 L CB 0.338 42.412 42.059 0.024 0.000 1.129 313 L HN 0.652 nan 8.230 nan 0.000 0.463 314 E N 3.036 123.243 120.200 0.011 0.000 2.336 314 E HA 0.599 4.953 4.350 0.007 0.000 0.267 314 E C -1.509 175.029 176.600 -0.103 0.000 0.906 314 E CA -0.998 55.403 56.400 0.002 0.000 0.781 314 E CB 2.424 32.156 29.700 0.052 0.000 1.261 314 E HN 0.370 nan 8.360 nan 0.000 0.436 315 V N 2.894 122.711 119.914 -0.161 0.000 2.407 315 V HA 0.342 4.466 4.120 0.007 0.000 0.291 315 V C -2.415 173.612 176.094 -0.111 0.000 1.018 315 V CA -1.976 60.175 62.300 -0.248 0.000 0.842 315 V CB 1.266 32.705 31.823 -0.640 0.000 0.996 315 V HN 0.540 nan 8.190 nan 0.000 0.426 316 P HA 0.386 nan 4.420 nan 0.000 0.278 316 P C -0.774 176.533 177.300 0.013 0.000 1.238 316 P CA -0.341 62.735 63.100 -0.040 0.000 0.794 316 P CB 0.779 32.464 31.700 -0.025 0.000 0.955 317 L N 2.698 123.968 121.223 0.078 0.000 2.289 317 L HA 0.510 4.855 4.340 0.007 0.000 0.285 317 L C 0.850 177.871 176.870 0.251 0.000 1.049 317 L CA -0.223 54.724 54.840 0.178 0.000 0.804 317 L CB 0.785 43.015 42.059 0.285 0.000 1.195 317 L HN 0.542 nan 8.230 nan 0.000 0.428 318 E N 1.300 121.608 120.200 0.180 0.000 2.433 318 E HA 0.405 4.759 4.350 0.007 0.000 0.278 318 E C -1.380 175.216 176.600 -0.007 0.000 0.976 318 E CA -0.952 55.557 56.400 0.182 0.000 0.793 318 E CB 2.028 31.825 29.700 0.162 0.000 1.311 318 E HN 0.449 nan 8.360 nan 0.000 0.460 319 H N 1.091 120.005 119.070 -0.260 0.000 2.479 319 H HA 0.249 4.809 4.556 0.007 0.000 0.335 319 H C -1.723 173.304 175.328 -0.501 0.000 1.142 319 H CA -2.331 53.421 56.048 -0.494 0.000 1.234 319 H CB 1.963 31.349 29.762 -0.628 0.000 1.503 319 H HN 0.430 nan 8.280 nan 0.000 0.510 320 P HA -0.083 nan 4.420 nan 0.000 0.221 320 P C 0.903 177.996 177.300 -0.345 0.000 1.150 320 P CA 1.317 63.880 63.100 -0.896 0.000 0.800 320 P CB 0.545 31.703 31.700 -0.902 0.000 0.787 321 T N -3.456 111.040 114.554 -0.097 0.000 3.174 321 T HA 0.182 4.536 4.350 0.007 0.000 0.252 321 T C 0.939 175.599 174.700 -0.067 0.000 0.984 321 T CA -0.241 61.848 62.100 -0.019 0.000 1.113 321 T CB -0.754 68.121 68.868 0.013 0.000 1.088 321 T HN -0.098 nan 8.240 nan 0.000 0.442 322 L N 2.808 123.942 121.223 -0.148 0.000 2.485 322 L HA 0.284 4.628 4.340 0.007 0.000 0.279 322 L C 1.337 177.833 176.870 -0.624 0.000 1.124 322 L CA -0.009 54.458 54.840 -0.622 0.000 0.888 322 L CB 0.370 41.715 42.059 -1.191 0.000 1.217 322 L HN 0.333 nan 8.230 nan 0.000 0.464 323 E N 3.729 123.694 120.200 -0.392 0.000 2.208 323 E HA -0.141 4.213 4.350 0.007 0.000 0.193 323 E C 1.519 178.083 176.600 -0.061 0.000 0.988 323 E CA 0.930 57.243 56.400 -0.146 0.000 0.828 323 E CB 0.104 29.792 29.700 -0.019 0.000 0.763 323 E HN 0.811 nan 8.360 nan 0.000 0.478 324 W N -0.305 121.053 121.300 0.096 0.000 2.800 324 W HA -0.013 4.651 4.660 0.007 0.000 0.249 324 W C 1.337 177.922 176.519 0.111 0.000 1.294 324 W CA -0.251 57.140 57.345 0.078 0.000 1.402 324 W CB -0.702 28.781 29.460 0.039 0.000 1.126 324 W HN -0.037 nan 8.180 nan 0.000 0.652 325 F N 3.108 122.905 119.950 -0.256 0.000 2.134 325 F HA -0.042 4.489 4.527 0.007 0.000 0.299 325 F C 2.623 178.474 175.800 0.084 0.000 1.097 325 F CA 2.664 60.607 58.000 -0.095 0.000 1.264 325 F CB -0.618 38.156 39.000 -0.375 0.000 1.001 325 F HN -0.095 nan 8.300 nan 0.000 0.479 326 A N -0.080 122.915 122.820 0.291 0.000 2.070 326 A HA 0.039 4.363 4.320 0.007 0.000 0.220 326 A C 2.187 179.853 177.584 0.137 0.000 1.159 326 A CA 1.229 53.394 52.037 0.213 0.000 0.656 326 A CB -1.323 17.769 19.000 0.154 0.000 0.800 326 A HN 0.407 nan 8.150 nan 0.000 0.453 327 A N -1.210 121.697 122.820 0.146 0.000 2.235 327 A HA 0.268 4.592 4.320 0.007 0.000 0.208 327 A C 1.624 179.260 177.584 0.087 0.000 1.172 327 A CA 0.702 52.810 52.037 0.118 0.000 0.786 327 A CB -0.293 18.794 19.000 0.145 0.000 0.804 327 A HN 0.349 nan 8.150 nan 0.000 0.479 328 L N -1.354 119.901 121.223 0.054 0.000 2.341 328 L HA 0.201 4.545 4.340 0.007 0.000 0.214 328 L C 1.849 178.749 176.870 0.051 0.000 1.115 328 L CA 1.306 56.150 54.840 0.006 0.000 0.820 328 L CB -0.787 41.181 42.059 -0.152 0.000 0.944 328 L HN 0.632 nan 8.230 nan 0.000 0.452 329 G N -0.515 108.318 108.800 0.055 0.000 2.147 329 G HA2 -0.260 3.705 3.960 0.007 0.000 0.244 329 G HA3 -0.260 3.705 3.960 0.007 0.000 0.244 329 G C 0.312 175.223 174.900 0.019 0.000 1.005 329 G CA 0.232 45.372 45.100 0.067 0.000 0.713 329 G HN 0.275 nan 8.290 nan 0.000 0.515 330 L N 0.179 121.393 121.223 -0.014 0.000 2.417 330 L HA 0.726 5.070 4.340 0.007 0.000 0.268 330 L C 1.067 177.754 176.870 -0.306 0.000 1.158 330 L CA -0.425 54.333 54.840 -0.138 0.000 0.819 330 L CB 0.892 42.973 42.059 0.038 0.000 1.112 330 L HN 0.551 nan 8.230 nan 0.000 0.458 331 R N 2.163 122.270 120.500 -0.654 0.000 2.692 331 R HA 0.474 4.818 4.340 0.007 0.000 0.269 331 R C -2.230 174.011 176.300 -0.099 0.000 1.030 331 R CA -0.949 54.921 56.100 -0.383 0.000 0.882 331 R CB 1.758 31.761 30.300 -0.495 0.000 1.250 331 R HN 0.666 nan 8.270 nan 0.000 0.465 332 W N 2.652 123.893 121.300 -0.098 0.000 3.083 332 W HA 0.373 5.037 4.660 0.006 0.000 0.333 332 W C -1.092 175.484 176.519 0.094 0.000 1.217 332 W CA -1.036 56.325 57.345 0.027 0.000 1.170 332 W CB 2.126 31.519 29.460 -0.112 0.000 1.437 332 W HN 0.696 nan 8.180 nan 0.000 0.557 333 Y N 0.773 121.016 120.300 -0.094 0.000 2.316 333 Y HA 0.570 5.124 4.550 0.006 0.000 0.324 333 Y C 0.723 176.840 175.900 0.362 0.000 1.267 333 Y CA -0.059 58.055 58.100 0.022 0.000 1.311 333 Y CB 0.343 38.685 38.460 -0.196 0.000 1.267 333 Y HN 0.353 nan 8.280 nan 0.000 0.516 334 A N 2.112 125.205 122.820 0.455 0.000 2.021 334 A HA 0.094 4.418 4.320 0.007 0.000 0.216 334 A C 0.381 178.325 177.584 0.599 0.000 1.163 334 A CA 0.443 52.785 52.037 0.508 0.000 0.676 334 A CB -0.290 18.852 19.000 0.237 0.000 0.818 334 A HN 0.688 nan 8.150 nan 0.000 0.453 335 L N 1.539 123.079 121.223 0.528 0.000 2.276 335 L HA 0.497 4.841 4.340 0.007 0.000 0.286 335 L C -2.785 174.242 176.870 0.261 0.000 1.024 335 L CA -2.269 52.758 54.840 0.312 0.000 0.826 335 L CB 1.845 44.024 42.059 0.200 0.000 1.211 335 L HN -0.086 nan 8.230 nan 0.000 0.422 336 P HA 0.413 nan 4.420 nan 0.000 0.297 336 P C -1.474 175.734 177.300 -0.154 0.000 1.342 336 P CA -0.397 62.584 63.100 -0.199 0.000 0.801 336 P CB 1.582 32.769 31.700 -0.856 0.000 0.920 337 A N 4.141 126.881 122.820 -0.134 0.000 2.646 337 A HA 0.416 4.740 4.320 0.007 0.000 0.312 337 A C -0.277 177.069 177.584 -0.396 0.000 1.245 337 A CA -0.629 51.259 52.037 -0.248 0.000 0.755 337 A CB 0.460 19.359 19.000 -0.168 0.000 1.132 337 A HN 0.296 nan 8.150 nan 0.000 0.458 338 V N 2.391 121.882 119.914 -0.705 0.000 2.655 338 V HA 0.268 4.392 4.120 0.007 0.000 0.300 338 V C 1.348 177.010 176.094 -0.720 0.000 1.044 338 V CA 1.346 63.200 62.300 -0.744 0.000 1.095 338 V CB 1.294 32.462 31.823 -1.091 0.000 0.952 338 V HN 1.138 nan 8.190 nan 0.000 0.485 339 S N 1.459 116.955 115.700 -0.340 0.000 2.787 339 S HA 0.065 4.539 4.470 0.007 0.000 0.255 339 S C 0.703 175.278 174.600 -0.040 0.000 1.051 339 S CA 0.120 58.208 58.200 -0.187 0.000 1.124 339 S CB -0.337 62.792 63.200 -0.118 0.000 1.104 339 S HN 0.907 nan 8.310 nan 0.000 0.623 340 N N 0.307 118.994 118.700 -0.021 0.000 2.177 340 N HA 0.330 5.074 4.740 0.007 0.000 0.218 340 N C 0.145 175.704 175.510 0.081 0.000 1.182 340 N CA -0.551 52.530 53.050 0.050 0.000 0.882 340 N CB 0.135 38.654 38.487 0.053 0.000 1.052 340 N HN 0.246 nan 8.380 nan 0.000 0.519 341 M N 1.505 121.162 119.600 0.096 0.000 2.250 341 M HA 0.220 4.704 4.480 0.007 0.000 0.344 341 M C -0.534 175.898 176.300 0.219 0.000 1.150 341 M CA -0.565 54.831 55.300 0.160 0.000 1.147 341 M CB 1.930 34.650 32.600 0.200 0.000 1.498 341 M HN 0.191 nan 8.290 nan 0.000 0.461 342 L N 4.042 125.379 121.223 0.189 0.000 2.272 342 L HA 0.452 4.797 4.340 0.007 0.000 0.289 342 L C -1.180 175.810 176.870 0.200 0.000 1.032 342 L CA -0.819 54.124 54.840 0.173 0.000 0.810 342 L CB 0.916 43.031 42.059 0.093 0.000 1.205 342 L HN 0.563 nan 8.230 nan 0.000 0.422 343 L N 5.500 126.862 121.223 0.232 0.000 2.276 343 L HA 0.471 4.816 4.340 0.007 0.000 0.286 343 L C -0.468 176.427 176.870 0.042 0.000 1.061 343 L CA 0.417 55.318 54.840 0.102 0.000 0.807 343 L CB 0.968 43.123 42.059 0.160 0.000 1.177 343 L HN 0.687 nan 8.230 nan 0.000 0.429 344 E N 6.841 126.982 120.200 -0.099 0.000 2.191 344 E HA 0.395 4.749 4.350 0.007 0.000 0.263 344 E C -1.711 174.790 176.600 -0.166 0.000 0.881 344 E CA -0.457 55.879 56.400 -0.107 0.000 0.757 344 E CB 1.192 30.834 29.700 -0.096 0.000 1.147 344 E HN 0.704 nan 8.360 nan 0.000 0.414 345 I N 2.306 122.764 120.570 -0.187 0.000 2.466 345 I HA 0.299 4.473 4.170 0.007 0.000 0.289 345 I C 0.879 176.760 176.117 -0.393 0.000 1.026 345 I CA -0.930 60.149 61.300 -0.369 0.000 1.078 345 I CB 1.988 39.727 38.000 -0.435 0.000 1.249 345 I HN 0.790 nan 8.210 nan 0.000 0.429 346 G N 4.320 112.925 108.800 -0.325 0.000 2.450 346 G HA2 -0.130 3.834 3.960 0.007 0.000 0.302 346 G HA3 -0.130 3.834 3.960 0.007 0.000 0.302 346 G C 1.065 176.019 174.900 0.090 0.000 0.957 346 G CA 1.020 46.134 45.100 0.024 0.000 1.005 346 G HN 1.555 nan 8.290 nan 0.000 0.514 347 G N -1.963 106.833 108.800 -0.007 0.000 2.253 347 G HA2 -0.258 3.707 3.960 0.007 0.000 0.251 347 G HA3 -0.258 3.707 3.960 0.007 0.000 0.251 347 G C 0.535 175.364 174.900 -0.119 0.000 0.998 347 G CA 0.464 45.556 45.100 -0.013 0.000 0.621 347 G HN 1.266 nan 8.290 nan 0.000 0.524 348 L N 0.879 121.960 121.223 -0.238 0.000 2.371 348 L HA 0.562 4.906 4.340 0.007 0.000 0.272 348 L C 0.362 176.947 176.870 -0.475 0.000 1.124 348 L CA -0.346 54.222 54.840 -0.453 0.000 0.816 348 L CB 1.069 42.719 42.059 -0.680 0.000 1.129 348 L HN 0.172 nan 8.230 nan 0.000 0.448 349 E N 2.687 122.581 120.200 -0.509 0.000 2.129 349 E HA 0.333 4.687 4.350 0.007 0.000 0.268 349 E C -1.378 174.931 176.600 -0.485 0.000 0.900 349 E CA -0.346 55.841 56.400 -0.354 0.000 0.755 349 E CB 1.292 30.881 29.700 -0.183 0.000 1.117 349 E HN 0.280 nan 8.360 nan 0.000 0.410 350 F N 2.196 122.121 119.950 -0.041 0.000 2.309 350 F HA 0.083 4.615 4.527 0.009 0.000 0.366 350 F C 1.583 177.421 175.800 0.063 0.000 1.104 350 F CA -0.492 57.509 58.000 0.001 0.000 1.179 350 F CB 0.955 39.943 39.000 -0.019 0.000 1.437 350 F HN 0.445 nan 8.300 nan 0.000 0.528 351 S N 1.561 117.374 115.700 0.189 0.000 2.537 351 S HA 0.147 4.621 4.470 0.007 0.000 0.240 351 S C 0.706 175.441 174.600 0.225 0.000 0.981 351 S CA 0.367 58.673 58.200 0.177 0.000 0.948 351 S CB -0.101 63.185 63.200 0.143 0.000 0.759 351 S HN 0.525 nan 8.310 nan 0.000 0.531 352 A N 0.206 123.201 122.820 0.292 0.000 2.499 352 A HA 0.816 5.141 4.320 0.007 0.000 0.280 352 A C -0.246 177.568 177.584 0.382 0.000 1.135 352 A CA -0.144 52.084 52.037 0.318 0.000 0.744 352 A CB 0.995 20.180 19.000 0.309 0.000 1.213 352 A HN 1.204 nan 8.150 nan 0.000 0.434 353 A N 3.870 126.871 122.820 0.303 0.000 3.208 353 A HA 0.596 4.920 4.320 0.007 0.000 0.252 353 A C -3.162 174.563 177.584 0.234 0.000 1.225 353 A CA -0.701 51.477 52.037 0.234 0.000 0.980 353 A CB 0.294 19.427 19.000 0.221 0.000 1.414 353 A HN 0.497 nan 8.150 nan 0.000 0.721 354 P HA 0.437 nan 4.420 nan 0.000 0.268 354 P C -0.681 176.585 177.300 -0.056 0.000 1.204 354 P CA 0.482 63.509 63.100 -0.122 0.000 0.768 354 P CB 0.189 31.761 31.700 -0.214 0.000 0.842 355 F N -0.192 119.670 119.950 -0.147 0.000 2.603 355 F HA 0.783 5.314 4.527 0.006 0.000 0.317 355 F C -0.472 175.244 175.800 -0.140 0.000 1.066 355 F CA -1.205 56.727 58.000 -0.115 0.000 0.941 355 F CB 1.689 40.519 39.000 -0.284 0.000 1.291 355 F HN 0.380 nan 8.300 nan 0.000 0.472 356 S N 0.162 115.928 115.700 0.109 0.000 2.541 356 S HA 0.931 5.405 4.470 0.007 0.000 0.271 356 S C -0.765 173.780 174.600 -0.092 0.000 1.133 356 S CA -0.165 58.035 58.200 -0.001 0.000 0.876 356 S CB 1.459 64.751 63.200 0.154 0.000 1.105 356 S HN 1.435 nan 8.310 nan 0.000 0.470 357 G N 0.296 108.993 108.800 -0.171 0.000 3.340 357 G HA2 0.750 4.714 3.960 0.007 0.000 0.176 357 G HA3 0.750 4.714 3.960 0.007 0.000 0.176 357 G C -1.438 173.434 174.900 -0.047 0.000 1.103 357 G CA -0.547 44.387 45.100 -0.277 0.000 0.779 357 G HN 1.038 nan 8.290 nan 0.000 0.673 358 W N -1.349 119.946 121.300 -0.008 0.000 2.882 358 W HA 0.809 5.472 4.660 0.005 0.000 0.345 358 W C -1.432 175.074 176.519 -0.022 0.000 1.125 358 W CA -2.133 55.221 57.345 0.016 0.000 1.167 358 W CB 0.420 29.935 29.460 0.093 0.000 1.431 358 W HN 0.393 nan 8.180 nan 0.000 0.543 359 Y N 2.504 122.983 120.300 0.299 0.000 2.480 359 Y HA 0.151 4.705 4.550 0.007 0.000 0.338 359 Y C 1.016 176.989 175.900 0.121 0.000 1.220 359 Y CA -0.257 57.909 58.100 0.111 0.000 1.430 359 Y CB 0.773 39.215 38.460 -0.030 0.000 1.311 359 Y HN 0.360 nan 8.280 nan 0.000 0.575 360 M N 2.246 121.987 119.600 0.235 0.000 2.233 360 M HA 0.131 4.615 4.480 0.007 0.000 0.355 360 M C 1.212 177.524 176.300 0.020 0.000 1.191 360 M CA -0.183 55.196 55.300 0.130 0.000 1.101 360 M CB 1.095 33.746 32.600 0.085 0.000 1.592 360 M HN 0.893 nan 8.290 nan 0.000 0.461 361 S N 1.120 116.794 115.700 -0.042 0.000 2.400 361 S HA -0.155 4.319 4.470 0.007 0.000 0.232 361 S C 1.501 175.981 174.600 -0.200 0.000 1.025 361 S CA 1.884 59.983 58.200 -0.170 0.000 0.993 361 S CB -1.095 62.037 63.200 -0.112 0.000 0.808 361 S HN 0.920 nan 8.310 nan 0.000 0.478 362 T N -0.113 114.347 114.554 -0.156 0.000 3.007 362 T HA 0.016 4.370 4.350 0.007 0.000 0.270 362 T C 1.515 176.080 174.700 -0.225 0.000 1.107 362 T CA 1.082 63.044 62.100 -0.231 0.000 1.118 362 T CB -0.545 68.133 68.868 -0.317 0.000 0.889 362 T HN 0.602 nan 8.240 nan 0.000 0.506 363 E N 0.899 120.991 120.200 -0.180 0.000 2.077 363 E HA -0.037 4.318 4.350 0.007 0.000 0.193 363 E C 1.995 178.367 176.600 -0.380 0.000 0.989 363 E CA 1.369 57.671 56.400 -0.164 0.000 0.800 363 E CB -0.262 29.476 29.700 0.063 0.000 0.746 363 E HN 0.597 nan 8.360 nan 0.000 0.452 364 I N 0.250 120.463 120.570 -0.594 0.000 2.368 364 I HA -0.048 4.126 4.170 0.007 0.000 0.238 364 I C 2.612 178.385 176.117 -0.574 0.000 1.076 364 I CA 0.937 61.698 61.300 -0.898 0.000 1.397 364 I CB -0.562 36.810 38.000 -1.046 0.000 1.141 364 I HN 0.092 nan 8.210 nan 0.000 0.430 365 G N 0.010 108.575 108.800 -0.391 0.000 2.432 365 G HA2 -0.162 3.802 3.960 0.007 0.000 0.219 365 G HA3 -0.162 3.802 3.960 0.007 0.000 0.219 365 G C 1.588 176.381 174.900 -0.180 0.000 1.135 365 G CA 1.547 46.509 45.100 -0.230 0.000 0.767 365 G HN 0.321 nan 8.290 nan 0.000 0.550 366 T N -0.478 113.949 114.554 -0.212 0.000 3.071 366 T HA 0.130 4.484 4.350 0.007 0.000 0.239 366 T C 2.479 177.077 174.700 -0.171 0.000 0.997 366 T CA 0.067 62.062 62.100 -0.174 0.000 1.134 366 T CB 0.211 68.960 68.868 -0.198 0.000 0.928 366 T HN 0.030 nan 8.240 nan 0.000 0.453 367 R N 2.064 122.444 120.500 -0.200 0.000 2.048 367 R HA 0.198 4.542 4.340 0.007 0.000 0.224 367 R C 2.137 178.336 176.300 -0.169 0.000 1.163 367 R CA 0.938 56.935 56.100 -0.173 0.000 0.956 367 R CB -1.109 29.099 30.300 -0.153 0.000 0.849 367 R HN 0.301 nan 8.270 nan 0.000 0.435 368 N N 1.221 119.778 118.700 -0.239 0.000 2.120 368 N HA -0.096 4.648 4.740 0.007 0.000 0.188 368 N C 1.989 177.458 175.510 -0.069 0.000 1.024 368 N CA 1.116 54.041 53.050 -0.207 0.000 0.852 368 N CB -0.235 37.840 38.487 -0.686 0.000 1.003 368 N HN 0.194 nan 8.380 nan 0.000 0.424 369 L N -0.541 120.577 121.223 -0.175 0.000 2.202 369 L HA 0.050 4.394 4.340 0.007 0.000 0.205 369 L C 1.544 178.444 176.870 0.050 0.000 1.083 369 L CA 0.587 55.414 54.840 -0.022 0.000 0.790 369 L CB 0.002 42.021 42.059 -0.065 0.000 0.942 369 L HN 0.170 nan 8.230 nan 0.000 0.452 370 C N -1.613 117.677 119.300 -0.016 0.000 2.912 370 C HA 0.162 4.626 4.460 0.007 0.000 0.274 370 C C 0.722 175.694 174.990 -0.030 0.000 1.248 370 C CA -0.981 58.035 59.018 -0.003 0.000 1.694 370 C CB -0.417 27.311 27.740 -0.021 0.000 2.024 370 C HN 0.301 nan 8.230 nan 0.000 0.605 371 D N 2.718 123.068 120.400 -0.083 0.000 2.493 371 D HA 0.052 4.696 4.640 0.007 0.000 0.240 371 D C -1.307 174.940 176.300 -0.088 0.000 1.142 371 D CA -1.051 52.858 54.000 -0.151 0.000 0.872 371 D CB 0.679 41.229 40.800 -0.416 0.000 1.173 371 D HN 0.142 nan 8.370 nan 0.000 0.467 372 P HA -0.169 nan 4.420 nan 0.000 0.216 372 P C 0.827 178.179 177.300 0.087 0.000 1.150 372 P CA 1.429 64.577 63.100 0.080 0.000 0.843 372 P CB -0.064 31.721 31.700 0.142 0.000 0.787 373 H N -2.773 116.307 119.070 0.017 0.000 2.517 373 H HA 0.341 4.901 4.556 0.007 0.000 0.282 373 H C 0.966 176.300 175.328 0.011 0.000 1.023 373 H CA -0.094 55.960 56.048 0.011 0.000 1.169 373 H CB 0.082 29.851 29.762 0.012 0.000 1.454 373 H HN 0.010 nan 8.280 nan 0.000 0.556 374 R N -0.229 120.171 120.500 -0.167 0.000 2.721 374 R HA 0.169 4.514 4.340 0.007 0.000 0.104 374 R C 1.251 177.498 176.300 -0.088 0.000 1.052 374 R CA -0.616 55.420 56.100 -0.106 0.000 0.852 374 R CB -0.809 29.467 30.300 -0.040 0.000 0.799 374 R HN 0.085 nan 8.270 nan 0.000 0.373 375 Y N 1.571 121.884 120.300 0.022 0.000 2.242 375 Y HA -0.032 4.522 4.550 0.007 0.000 0.291 375 Y C 0.893 176.817 175.900 0.039 0.000 1.137 375 Y CA 1.637 59.770 58.100 0.056 0.000 1.181 375 Y CB -0.063 38.472 38.460 0.125 0.000 0.989 375 Y HN 0.548 nan 8.280 nan 0.000 0.527 376 N N 0.454 119.245 118.700 0.151 0.000 2.758 376 N HA -0.208 4.536 4.740 0.007 0.000 0.248 376 N C 0.334 175.916 175.510 0.121 0.000 1.076 376 N CA 0.407 53.516 53.050 0.098 0.000 0.696 376 N CB -1.178 37.347 38.487 0.063 0.000 0.979 376 N HN 0.563 nan 8.380 nan 0.000 0.550 377 I N -3.159 117.497 120.570 0.143 0.000 3.735 377 I HA 0.045 4.219 4.170 0.007 0.000 0.310 377 I C 1.813 178.013 176.117 0.138 0.000 1.270 377 I CA -0.324 61.057 61.300 0.135 0.000 1.207 377 I CB 0.014 38.098 38.000 0.141 0.000 1.013 377 I HN 0.062 nan 8.210 nan 0.000 0.452 378 L N 1.396 122.711 121.223 0.154 0.000 1.989 378 L HA -0.187 4.157 4.340 0.007 0.000 0.211 378 L C 2.587 179.642 176.870 0.309 0.000 1.071 378 L CA 1.914 56.881 54.840 0.211 0.000 0.749 378 L CB -0.963 41.195 42.059 0.165 0.000 0.890 378 L HN 0.395 nan 8.230 nan 0.000 0.431 379 E N -0.731 119.646 120.200 0.294 0.000 2.058 379 E HA -0.252 4.103 4.350 0.007 0.000 0.194 379 E C 1.794 178.418 176.600 0.040 0.000 0.997 379 E CA 1.488 57.984 56.400 0.160 0.000 0.801 379 E CB -0.026 29.726 29.700 0.086 0.000 0.746 379 E HN 0.537 nan 8.360 nan 0.000 0.450 380 D N -0.024 120.404 120.400 0.045 0.000 2.103 380 D HA -0.167 4.477 4.640 0.007 0.000 0.190 380 D C 2.097 178.378 176.300 -0.032 0.000 0.997 380 D CA 1.211 55.205 54.000 -0.010 0.000 0.833 380 D CB -0.446 40.359 40.800 0.008 0.000 0.961 380 D HN 0.071 nan 8.370 nan 0.000 0.447 381 V N 1.469 121.415 119.914 0.053 0.000 2.343 381 V HA -0.219 3.905 4.120 0.007 0.000 0.247 381 V C 2.541 178.691 176.094 0.094 0.000 1.051 381 V CA 1.792 64.161 62.300 0.115 0.000 1.036 381 V CB -0.880 31.093 31.823 0.251 0.000 0.654 381 V HN 0.190 nan 8.190 nan 0.000 0.451 382 A N -0.124 122.776 122.820 0.133 0.000 1.902 382 A HA -0.152 4.172 4.320 0.007 0.000 0.217 382 A C 2.420 179.970 177.584 -0.057 0.000 1.181 382 A CA 2.013 54.121 52.037 0.119 0.000 0.623 382 A CB -0.717 18.445 19.000 0.270 0.000 0.818 382 A HN 0.320 nan 8.150 nan 0.000 0.443 383 V N -0.460 119.372 119.914 -0.136 0.000 2.252 383 V HA -0.379 3.745 4.120 0.007 0.000 0.249 383 V C 2.675 178.611 176.094 -0.262 0.000 1.056 383 V CA 2.259 64.441 62.300 -0.196 0.000 1.022 383 V CB -1.168 30.544 31.823 -0.186 0.000 0.641 383 V HN 0.724 nan 8.190 nan 0.000 0.445 384 C N -0.647 118.419 119.300 -0.390 0.000 2.411 384 C HA -0.170 4.294 4.460 0.007 0.000 0.279 384 C C 2.621 177.203 174.990 -0.681 0.000 1.288 384 C CA 0.999 59.551 59.018 -0.776 0.000 1.764 384 C CB -1.101 25.806 27.740 -1.388 0.000 1.974 384 C HN 0.531 nan 8.230 nan 0.000 0.498 385 M N -0.009 119.426 119.600 -0.275 0.000 2.618 385 M HA 0.016 4.500 4.480 0.007 0.000 0.240 385 M C 0.686 176.984 176.300 -0.003 0.000 1.123 385 M CA 0.877 56.194 55.300 0.028 0.000 1.060 385 M CB -0.310 32.397 32.600 0.179 0.000 1.535 385 M HN 0.292 nan 8.290 nan 0.000 0.507 386 D N 0.895 121.240 120.400 -0.091 0.000 2.981 386 D HA -0.151 4.493 4.640 0.007 0.000 0.223 386 D C -0.735 175.537 176.300 -0.045 0.000 1.151 386 D CA 0.521 54.476 54.000 -0.075 0.000 0.827 386 D CB -1.088 39.684 40.800 -0.046 0.000 1.101 386 D HN 0.307 nan 8.370 nan 0.000 0.426 387 L N -0.043 121.155 121.223 -0.041 0.000 2.439 387 L HA 0.322 4.666 4.340 0.007 0.000 0.261 387 L C 0.962 177.764 176.870 -0.114 0.000 1.153 387 L CA -0.619 54.214 54.840 -0.012 0.000 0.808 387 L CB 0.534 42.654 42.059 0.101 0.000 1.126 387 L HN -0.011 nan 8.230 nan 0.000 0.460 388 D N 0.687 121.040 120.400 -0.079 0.000 2.435 388 D HA 0.015 4.659 4.640 0.007 0.000 0.230 388 D C 0.987 177.061 176.300 -0.376 0.000 1.215 388 D CA -0.160 53.752 54.000 -0.147 0.000 0.947 388 D CB 0.756 41.536 40.800 -0.033 0.000 1.048 388 D HN 0.592 nan 8.370 nan 0.000 0.512 389 T N 0.587 114.750 114.554 -0.651 0.000 3.169 389 T HA -0.014 4.340 4.350 0.007 0.000 0.250 389 T C 1.325 175.659 174.700 -0.610 0.000 1.111 389 T CA -0.137 61.179 62.100 -1.306 0.000 1.010 389 T CB -0.154 67.938 68.868 -1.293 0.000 0.984 389 T HN 0.402 nan 8.240 nan 0.000 0.537 390 R N 0.267 120.604 120.500 -0.273 0.000 2.317 390 R HA 0.347 4.691 4.340 0.007 0.000 0.208 390 R C 0.486 176.807 176.300 0.034 0.000 0.914 390 R CA -0.229 55.817 56.100 -0.089 0.000 1.060 390 R CB -0.084 30.169 30.300 -0.078 0.000 1.015 390 R HN 0.234 nan 8.270 nan 0.000 0.498 391 T N -0.300 114.326 114.554 0.120 0.000 3.172 391 T HA 0.114 4.468 4.350 0.007 0.000 0.320 391 T C 0.860 175.750 174.700 0.316 0.000 1.085 391 T CA -0.245 61.963 62.100 0.180 0.000 1.052 391 T CB 1.632 70.562 68.868 0.104 0.000 1.107 391 T HN 0.279 nan 8.240 nan 0.000 0.458 392 T N 1.440 116.130 114.554 0.227 0.000 2.737 392 T HA -0.146 4.208 4.350 0.007 0.000 0.269 392 T C 2.004 176.756 174.700 0.088 0.000 1.040 392 T CA 1.938 64.118 62.100 0.134 0.000 1.142 392 T CB -0.613 68.289 68.868 0.055 0.000 0.861 392 T HN 0.740 nan 8.240 nan 0.000 0.456 393 S N 1.624 117.384 115.700 0.100 0.000 2.603 393 S HA 0.059 4.534 4.470 0.007 0.000 0.220 393 S C 1.997 176.650 174.600 0.089 0.000 0.967 393 S CA 0.478 58.719 58.200 0.068 0.000 0.920 393 S CB -0.624 62.608 63.200 0.053 0.000 0.773 393 S HN 0.737 nan 8.310 nan 0.000 0.529 394 S N 1.667 117.462 115.700 0.157 0.000 2.607 394 S HA 0.197 4.671 4.470 0.007 0.000 0.224 394 S C 0.964 175.657 174.600 0.154 0.000 0.969 394 S CA 0.033 58.337 58.200 0.174 0.000 0.927 394 S CB -1.047 62.298 63.200 0.241 0.000 0.772 394 S HN 0.618 nan 8.310 nan 0.000 0.533 395 L N 0.793 122.063 121.223 0.077 0.000 3.737 395 L HA -0.182 4.163 4.340 0.007 0.000 0.418 395 L C 1.570 178.450 176.870 0.017 0.000 1.216 395 L CA 0.808 55.642 54.840 -0.011 0.000 0.915 395 L CB -2.268 39.794 42.059 0.006 0.000 1.834 395 L HN 0.772 nan 8.230 nan 0.000 0.943 396 W N -0.352 120.960 121.300 0.020 0.000 2.476 396 W HA -0.046 4.618 4.660 0.007 0.000 0.281 396 W C 1.689 178.225 176.519 0.028 0.000 1.230 396 W CA 0.906 58.266 57.345 0.024 0.000 1.287 396 W CB -0.577 28.893 29.460 0.017 0.000 1.108 396 W HN 0.229 nan 8.180 nan 0.000 0.567 397 K N 1.189 121.110 120.400 -0.798 0.000 2.057 397 K HA -0.149 4.175 4.320 0.007 0.000 0.206 397 K C 1.456 177.915 176.600 -0.235 0.000 1.050 397 K CA 2.270 58.150 56.287 -0.678 0.000 0.935 397 K CB -0.343 31.640 32.500 -0.862 0.000 0.715 397 K HN 0.063 nan 8.250 nan 0.000 0.439 398 D N 0.908 121.196 120.400 -0.187 0.000 2.097 398 D HA -0.126 4.518 4.640 0.007 0.000 0.195 398 D C 1.710 178.004 176.300 -0.009 0.000 0.989 398 D CA 1.273 55.222 54.000 -0.085 0.000 0.827 398 D CB -0.015 40.743 40.800 -0.069 0.000 0.966 398 D HN 0.113 nan 8.370 nan 0.000 0.456 399 K N 0.312 120.732 120.400 0.034 0.000 2.147 399 K HA -0.032 4.292 4.320 0.007 0.000 0.205 399 K C 2.049 178.717 176.600 0.114 0.000 1.049 399 K CA 1.157 57.493 56.287 0.083 0.000 0.936 399 K CB -0.061 32.508 32.500 0.115 0.000 0.722 399 K HN 0.102 nan 8.250 nan 0.000 0.446 400 A N 1.089 123.989 122.820 0.134 0.000 1.935 400 A HA 0.088 4.412 4.320 0.007 0.000 0.214 400 A C 2.301 179.970 177.584 0.140 0.000 1.178 400 A CA 1.204 53.349 52.037 0.180 0.000 0.640 400 A CB -0.392 18.753 19.000 0.242 0.000 0.825 400 A HN 0.276 nan 8.150 nan 0.000 0.447 401 A N -0.292 122.570 122.820 0.070 0.000 1.898 401 A HA 0.013 4.337 4.320 0.007 0.000 0.216 401 A C 2.163 179.772 177.584 0.041 0.000 1.181 401 A CA 1.660 53.719 52.037 0.036 0.000 0.620 401 A CB -0.916 18.068 19.000 -0.027 0.000 0.819 401 A HN 0.347 nan 8.150 nan 0.000 0.442 402 V N 0.477 120.421 119.914 0.049 0.000 2.324 402 V HA -0.252 3.872 4.120 0.007 0.000 0.250 402 V C 2.566 178.709 176.094 0.082 0.000 1.060 402 V CA 2.294 64.632 62.300 0.063 0.000 1.042 402 V CB -0.653 31.210 31.823 0.066 0.000 0.650 402 V HN 0.550 nan 8.190 nan 0.000 0.450 403 E N -0.323 119.947 120.200 0.117 0.000 2.076 403 E HA -0.046 4.308 4.350 0.007 0.000 0.190 403 E C 2.162 178.828 176.600 0.110 0.000 0.979 403 E CA 0.927 57.425 56.400 0.163 0.000 0.807 403 E CB -0.269 29.508 29.700 0.128 0.000 0.761 403 E HN 0.572 nan 8.360 nan 0.000 0.454 404 I N 2.029 122.697 120.570 0.164 0.000 2.264 404 I HA -0.293 3.881 4.170 0.007 0.000 0.248 404 I C 2.203 178.336 176.117 0.026 0.000 1.111 404 I CA 0.970 62.376 61.300 0.177 0.000 1.382 404 I CB -0.320 37.820 38.000 0.233 0.000 1.060 404 I HN 0.080 nan 8.210 nan 0.000 0.418 405 N N 0.529 119.233 118.700 0.007 0.000 2.106 405 N HA -0.156 4.588 4.740 0.007 0.000 0.188 405 N C 1.925 177.409 175.510 -0.044 0.000 1.029 405 N CA 1.190 54.222 53.050 -0.030 0.000 0.848 405 N CB -0.191 38.289 38.487 -0.011 0.000 1.007 405 N HN 0.200 nan 8.380 nan 0.000 0.423 406 L N 1.604 122.800 121.223 -0.045 0.000 2.131 406 L HA -0.044 4.300 4.340 0.007 0.000 0.210 406 L C 2.169 178.918 176.870 -0.202 0.000 1.092 406 L CA 1.367 56.138 54.840 -0.114 0.000 0.759 406 L CB -0.757 41.215 42.059 -0.144 0.000 0.903 406 L HN 0.055 nan 8.230 nan 0.000 0.435 407 A N -1.283 121.384 122.820 -0.255 0.000 1.898 407 A HA -0.105 4.219 4.320 0.007 0.000 0.216 407 A C 2.242 179.753 177.584 -0.121 0.000 1.181 407 A CA 1.715 53.545 52.037 -0.346 0.000 0.620 407 A CB -0.992 17.491 19.000 -0.861 0.000 0.819 407 A HN 0.282 nan 8.150 nan 0.000 0.442 408 V N -0.006 119.858 119.914 -0.083 0.000 2.287 408 V HA -0.292 3.833 4.120 0.007 0.000 0.248 408 V C 2.573 178.659 176.094 -0.014 0.000 1.053 408 V CA 2.131 64.406 62.300 -0.042 0.000 1.027 408 V CB -0.828 30.892 31.823 -0.172 0.000 0.646 408 V HN 0.558 nan 8.190 nan 0.000 0.447 409 L N -0.559 120.633 121.223 -0.052 0.000 1.994 409 L HA -0.219 4.126 4.340 0.007 0.000 0.208 409 L C 2.640 179.532 176.870 0.038 0.000 1.071 409 L CA 2.243 57.068 54.840 -0.025 0.000 0.745 409 L CB -0.756 41.288 42.059 -0.025 0.000 0.892 409 L HN 0.499 nan 8.230 nan 0.000 0.431 410 H N -0.961 118.059 119.070 -0.083 0.000 2.387 410 H HA -0.122 4.438 4.556 0.008 0.000 0.299 410 H C 2.232 177.545 175.328 -0.025 0.000 1.090 410 H CA 1.820 57.815 56.048 -0.089 0.000 1.332 410 H CB 0.110 29.755 29.762 -0.196 0.000 1.386 410 H HN 0.177 nan 8.280 nan 0.000 0.516 411 S N -0.466 115.172 115.700 -0.103 0.000 2.371 411 S HA -0.061 4.413 4.470 0.007 0.000 0.224 411 S C 1.751 176.324 174.600 -0.044 0.000 1.029 411 S CA 0.990 59.122 58.200 -0.114 0.000 0.978 411 S CB -0.353 62.879 63.200 0.054 0.000 0.833 411 S HN 0.327 nan 8.310 nan 0.000 0.466 412 F N 2.287 122.170 119.950 -0.112 0.000 2.134 412 F HA -0.090 4.441 4.527 0.006 0.000 0.299 412 F C 2.643 178.386 175.800 -0.096 0.000 1.097 412 F CA 1.029 58.988 58.000 -0.069 0.000 1.264 412 F CB -0.703 38.282 39.000 -0.025 0.000 1.001 412 F HN 0.216 nan 8.300 nan 0.000 0.479 413 Q N -0.418 119.426 119.800 0.074 0.000 2.030 413 Q HA -0.236 4.108 4.340 0.007 0.000 0.204 413 Q C 2.280 178.224 176.000 -0.093 0.000 0.986 413 Q CA 1.650 57.441 55.803 -0.021 0.000 0.843 413 Q CB -0.704 28.013 28.738 -0.035 0.000 0.904 413 Q HN 0.313 nan 8.270 nan 0.000 0.420 414 L N 0.681 121.785 121.223 -0.197 0.000 2.013 414 L HA -0.183 4.161 4.340 0.007 0.000 0.212 414 L C 2.075 178.861 176.870 -0.140 0.000 1.073 414 L CA 2.122 56.837 54.840 -0.208 0.000 0.753 414 L CB -0.686 41.166 42.059 -0.344 0.000 0.890 414 L HN 0.175 nan 8.230 nan 0.000 0.432 415 A N -1.637 121.094 122.820 -0.148 0.000 2.239 415 A HA -0.074 4.250 4.320 0.007 0.000 0.209 415 A C 1.170 178.688 177.584 -0.110 0.000 1.171 415 A CA 0.539 52.493 52.037 -0.138 0.000 0.768 415 A CB -0.599 18.280 19.000 -0.201 0.000 0.790 415 A HN 0.487 nan 8.150 nan 0.000 0.478 416 K N -1.386 118.964 120.400 -0.084 0.000 3.077 416 K HA -0.130 4.195 4.320 0.007 0.000 0.264 416 K C -0.718 175.851 176.600 -0.051 0.000 1.008 416 K CA 0.720 56.971 56.287 -0.061 0.000 0.740 416 K CB -1.844 30.620 32.500 -0.059 0.000 1.273 416 K HN 0.269 nan 8.250 nan 0.000 0.477 417 V N 0.803 120.699 119.914 -0.030 0.000 2.547 417 V HA 0.231 4.355 4.120 0.007 0.000 0.299 417 V C 0.751 176.921 176.094 0.127 0.000 1.040 417 V CA -0.805 61.508 62.300 0.023 0.000 0.913 417 V CB 2.031 33.808 31.823 -0.076 0.000 0.992 417 V HN 0.257 nan 8.190 nan 0.000 0.449 418 T N 5.801 120.391 114.554 0.059 0.000 2.928 418 T HA 0.490 4.844 4.350 0.007 0.000 0.305 418 T C -0.272 174.474 174.700 0.078 0.000 1.035 418 T CA 0.606 62.652 62.100 -0.090 0.000 1.145 418 T CB 0.256 68.887 68.868 -0.395 0.000 0.963 418 T HN 0.561 nan 8.240 nan 0.000 0.545 419 I N 2.048 122.606 120.570 -0.021 0.000 2.908 419 I HA 0.583 4.757 4.170 0.007 0.000 0.300 419 I C -1.594 174.550 176.117 0.045 0.000 1.385 419 I CA -0.989 60.347 61.300 0.060 0.000 1.004 419 I CB 2.002 39.957 38.000 -0.074 0.000 1.309 419 I HN 0.444 nan 8.210 nan 0.000 0.449 420 V N 5.364 125.378 119.914 0.167 0.000 2.487 420 V HA 0.445 4.569 4.120 0.007 0.000 0.298 420 V C -0.994 175.164 176.094 0.105 0.000 1.028 420 V CA -0.350 62.046 62.300 0.159 0.000 0.860 420 V CB 1.931 33.941 31.823 0.312 0.000 0.991 420 V HN 0.858 nan 8.190 nan 0.000 0.427 421 D N 4.734 125.176 120.400 0.069 0.000 2.361 421 D HA 0.044 4.688 4.640 0.007 0.000 0.239 421 D C 1.314 177.650 176.300 0.060 0.000 1.200 421 D CA 0.491 54.527 54.000 0.060 0.000 0.915 421 D CB 0.450 41.263 40.800 0.022 0.000 1.170 421 D HN 0.736 nan 8.370 nan 0.000 0.444 422 H N 0.220 119.236 119.070 -0.089 0.000 2.491 422 H HA -0.129 4.431 4.556 0.007 0.000 0.290 422 H C 1.090 176.281 175.328 -0.229 0.000 1.050 422 H CA 1.327 57.268 56.048 -0.177 0.000 1.309 422 H CB -0.590 29.014 29.762 -0.265 0.000 1.392 422 H HN 0.527 nan 8.280 nan 0.000 0.554 423 H N 1.492 120.398 119.070 -0.273 0.000 2.261 423 H HA 0.055 4.615 4.556 0.007 0.000 0.301 423 H C 2.600 177.920 175.328 -0.014 0.000 1.067 423 H CA 1.448 57.415 56.048 -0.134 0.000 1.297 423 H CB -0.524 29.125 29.762 -0.189 0.000 1.377 423 H HN 0.481 nan 8.280 nan 0.000 0.492 424 A N 1.627 124.513 122.820 0.110 0.000 1.917 424 A HA -0.210 4.114 4.320 0.007 0.000 0.219 424 A C 2.729 180.387 177.584 0.123 0.000 1.182 424 A CA 2.307 54.406 52.037 0.105 0.000 0.633 424 A CB -1.026 18.029 19.000 0.091 0.000 0.819 424 A HN 0.486 nan 8.150 nan 0.000 0.448 425 A N -0.411 122.480 122.820 0.118 0.000 1.865 425 A HA -0.138 4.186 4.320 0.007 0.000 0.217 425 A C 2.493 180.168 177.584 0.151 0.000 1.191 425 A CA 2.903 55.024 52.037 0.140 0.000 0.623 425 A CB -1.558 17.510 19.000 0.113 0.000 0.826 425 A HN 0.804 nan 8.150 nan 0.000 0.444 426 T N -2.257 112.368 114.554 0.118 0.000 2.708 426 T HA -0.122 4.232 4.350 0.007 0.000 0.266 426 T C 1.715 176.538 174.700 0.205 0.000 1.037 426 T CA 1.437 63.625 62.100 0.147 0.000 1.146 426 T CB -1.033 67.886 68.868 0.085 0.000 0.865 426 T HN 0.066 nan 8.240 nan 0.000 0.435 427 V N 2.825 122.837 119.914 0.164 0.000 2.278 427 V HA -0.223 3.901 4.120 0.007 0.000 0.251 427 V C 3.173 179.365 176.094 0.163 0.000 1.062 427 V CA 2.393 64.784 62.300 0.153 0.000 1.038 427 V CB -1.079 30.817 31.823 0.122 0.000 0.646 427 V HN 0.830 nan 8.190 nan 0.000 0.447 428 S N -1.034 114.772 115.700 0.176 0.000 2.489 428 S HA -0.121 4.353 4.470 0.007 0.000 0.228 428 S C 1.825 176.564 174.600 0.231 0.000 0.995 428 S CA 1.038 59.343 58.200 0.175 0.000 0.934 428 S CB -0.562 62.739 63.200 0.168 0.000 0.771 428 S HN 0.557 nan 8.310 nan 0.000 0.522 429 F N 1.629 121.647 119.950 0.113 0.000 2.367 429 F HA 0.219 4.750 4.527 0.006 0.000 0.298 429 F C 2.011 177.906 175.800 0.157 0.000 1.094 429 F CA 0.743 58.828 58.000 0.141 0.000 1.409 429 F CB -0.199 38.862 39.000 0.102 0.000 1.064 429 F HN 0.127 nan 8.300 nan 0.000 0.528 430 M N 0.285 119.990 119.600 0.174 0.000 2.067 430 M HA -0.157 4.327 4.480 0.007 0.000 0.260 430 M C 2.266 178.566 176.300 -0.000 0.000 1.069 430 M CA 1.480 56.825 55.300 0.075 0.000 1.117 430 M CB -1.316 31.360 32.600 0.127 0.000 1.334 430 M HN -0.003 nan 8.290 nan 0.000 0.407 431 K N -0.156 120.271 120.400 0.045 0.000 2.059 431 K HA -0.248 4.076 4.320 0.007 0.000 0.212 431 K C 2.062 178.660 176.600 -0.003 0.000 1.050 431 K CA 2.124 58.429 56.287 0.031 0.000 0.927 431 K CB -0.882 31.658 32.500 0.066 0.000 0.714 431 K HN 0.475 nan 8.250 nan 0.000 0.447 432 H N -0.202 118.800 119.070 -0.114 0.000 2.387 432 H HA -0.013 4.547 4.556 0.007 0.000 0.299 432 H C 1.792 176.960 175.328 -0.266 0.000 1.090 432 H CA 2.052 57.996 56.048 -0.174 0.000 1.332 432 H CB -0.155 29.490 29.762 -0.196 0.000 1.386 432 H HN 0.180 nan 8.280 nan 0.000 0.516 433 L N 0.591 121.535 121.223 -0.466 0.000 2.012 433 L HA -0.199 4.145 4.340 0.007 0.000 0.210 433 L C 2.362 179.076 176.870 -0.260 0.000 1.073 433 L CA 1.976 56.566 54.840 -0.417 0.000 0.748 433 L CB -0.553 41.328 42.059 -0.296 0.000 0.891 433 L HN 0.612 nan 8.230 nan 0.000 0.431 434 D N -1.288 119.014 120.400 -0.163 0.000 2.323 434 D HA -0.140 4.504 4.640 0.007 0.000 0.209 434 D C 1.373 177.608 176.300 -0.109 0.000 0.973 434 D CA 0.554 54.486 54.000 -0.112 0.000 0.874 434 D CB -0.273 40.490 40.800 -0.062 0.000 0.930 434 D HN 0.318 nan 8.370 nan 0.000 0.521 435 N N 1.569 120.194 118.700 -0.124 0.000 2.058 435 N HA -0.140 4.605 4.740 0.007 0.000 0.191 435 N C 1.658 177.083 175.510 -0.142 0.000 1.037 435 N CA 0.954 53.945 53.050 -0.099 0.000 0.848 435 N CB -0.362 38.094 38.487 -0.051 0.000 1.021 435 N HN 0.292 nan 8.380 nan 0.000 0.422 436 E N 0.753 120.785 120.200 -0.279 0.000 2.265 436 E HA -0.171 4.183 4.350 0.007 0.000 0.196 436 E C 1.838 178.334 176.600 -0.174 0.000 0.996 436 E CA 0.553 56.788 56.400 -0.274 0.000 0.832 436 E CB -0.032 29.394 29.700 -0.458 0.000 0.756 436 E HN 0.380 nan 8.360 nan 0.000 0.491 437 Q N 1.359 121.067 119.800 -0.154 0.000 2.046 437 Q HA -0.106 4.238 4.340 0.007 0.000 0.200 437 Q C 1.758 177.711 176.000 -0.078 0.000 0.975 437 Q CA 1.616 57.358 55.803 -0.102 0.000 0.836 437 Q CB 0.078 28.765 28.738 -0.085 0.000 0.896 437 Q HN 0.112 nan 8.270 nan 0.000 0.428 438 K N -0.680 119.678 120.400 -0.069 0.000 2.097 438 K HA -0.011 4.313 4.320 0.007 0.000 0.205 438 K C 1.944 178.516 176.600 -0.046 0.000 1.050 438 K CA 1.144 57.401 56.287 -0.049 0.000 0.938 438 K CB -0.118 32.360 32.500 -0.036 0.000 0.718 438 K HN 0.243 nan 8.250 nan 0.000 0.442 439 A N 0.994 123.784 122.820 -0.050 0.000 1.935 439 A HA 0.013 4.337 4.320 0.007 0.000 0.214 439 A C 1.723 179.278 177.584 -0.049 0.000 1.178 439 A CA 0.816 52.833 52.037 -0.034 0.000 0.640 439 A CB 0.112 19.106 19.000 -0.010 0.000 0.825 439 A HN 0.136 nan 8.150 nan 0.000 0.447 440 R N -2.234 118.222 120.500 -0.073 0.000 2.544 440 R HA 0.260 4.604 4.340 0.007 0.000 0.303 440 R C 0.726 176.978 176.300 -0.081 0.000 0.939 440 R CA 0.445 56.501 56.100 -0.073 0.000 1.102 440 R CB 0.612 30.863 30.300 -0.082 0.000 1.440 440 R HN 0.641 nan 8.270 nan 0.000 0.532 441 G N 1.252 110.001 108.800 -0.085 0.000 2.272 441 G HA2 -0.151 3.813 3.960 0.007 0.000 0.280 441 G HA3 -0.151 3.813 3.960 0.007 0.000 0.280 441 G C 0.146 175.001 174.900 -0.074 0.000 1.067 441 G CA 0.214 45.259 45.100 -0.092 0.000 0.902 441 G HN 0.702 nan 8.290 nan 0.000 0.500 442 G N -2.464 106.306 108.800 -0.050 0.000 2.347 442 G HA2 0.553 4.517 3.960 0.007 0.000 0.303 442 G HA3 0.553 4.517 3.960 0.007 0.000 0.303 442 G C -0.853 174.051 174.900 0.007 0.000 1.481 442 G CA 0.243 45.356 45.100 0.022 0.000 0.914 442 G HN 1.886 nan 8.290 nan 0.000 0.638 443 C N 2.506 121.838 119.300 0.053 0.000 2.727 443 C HA 0.699 5.163 4.460 0.007 0.000 0.369 443 C C -2.517 172.429 174.990 -0.073 0.000 1.067 443 C CA -1.254 57.735 59.018 -0.047 0.000 1.273 443 C CB 1.246 28.894 27.740 -0.153 0.000 1.778 443 C HN 0.675 nan 8.230 nan 0.000 0.467 444 P HA 0.388 nan 4.420 nan 0.000 0.267 444 P C -0.662 176.530 177.300 -0.180 0.000 1.209 444 P CA 0.599 63.308 63.100 -0.653 0.000 0.763 444 P CB 0.993 32.157 31.700 -0.893 0.000 0.816 445 A N 2.662 125.447 122.820 -0.057 0.000 2.459 445 A HA 0.407 4.731 4.320 0.007 0.000 0.296 445 A C -1.132 176.517 177.584 0.108 0.000 1.039 445 A CA -0.553 51.550 52.037 0.111 0.000 0.698 445 A CB 1.300 20.483 19.000 0.305 0.000 1.261 445 A HN 0.430 nan 8.150 nan 0.000 0.405 446 D N 2.075 122.529 120.400 0.090 0.000 2.443 446 D HA 0.161 4.806 4.640 0.007 0.000 0.221 446 D C 0.797 177.239 176.300 0.236 0.000 1.097 446 D CA -0.506 53.579 54.000 0.142 0.000 0.865 446 D CB 0.395 41.214 40.800 0.031 0.000 1.034 446 D HN 0.580 nan 8.370 nan 0.000 0.511 447 W N 4.355 125.713 121.300 0.097 0.000 2.317 447 W HA -0.290 4.374 4.660 0.007 0.000 0.318 447 W C 1.986 178.555 176.519 0.083 0.000 1.227 447 W CA 2.535 59.922 57.345 0.070 0.000 1.269 447 W CB -0.095 29.382 29.460 0.028 0.000 1.155 447 W HN 0.567 nan 8.180 nan 0.000 0.484 448 A N -1.285 121.799 122.820 0.440 0.000 2.024 448 A HA -0.209 4.115 4.320 0.007 0.000 0.220 448 A C 1.491 179.104 177.584 0.048 0.000 1.164 448 A CA 1.734 53.948 52.037 0.294 0.000 0.643 448 A CB -1.249 17.963 19.000 0.354 0.000 0.806 448 A HN 0.551 nan 8.150 nan 0.000 0.451 449 W N -1.099 120.168 121.300 -0.054 0.000 2.762 449 W HA 0.219 4.883 4.660 0.007 0.000 0.265 449 W C 1.891 178.297 176.519 -0.189 0.000 1.263 449 W CA -0.148 57.144 57.345 -0.088 0.000 1.411 449 W CB -0.039 29.398 29.460 -0.039 0.000 1.065 449 W HN 0.117 nan 8.180 nan 0.000 0.609 450 I N -0.037 120.506 120.570 -0.045 0.000 2.286 450 I HA -0.084 4.090 4.170 0.007 0.000 0.245 450 I C 0.726 176.637 176.117 -0.343 0.000 1.104 450 I CA 0.852 61.986 61.300 -0.278 0.000 1.397 450 I CB -1.448 36.318 38.000 -0.390 0.000 1.072 450 I HN -0.413 nan 8.210 nan 0.000 0.417 451 V N 3.802 123.424 119.914 -0.486 0.000 2.585 451 V HA 0.063 4.187 4.120 0.007 0.000 0.296 451 V C -1.926 173.985 176.094 -0.306 0.000 1.035 451 V CA -0.924 61.085 62.300 -0.486 0.000 1.084 451 V CB 0.197 31.490 31.823 -0.882 0.000 0.953 451 V HN 0.137 nan 8.190 nan 0.000 0.483 452 P HA 0.215 nan 4.420 nan 0.000 0.274 452 P C -1.918 175.244 177.300 -0.231 0.000 1.237 452 P CA -1.405 61.560 63.100 -0.226 0.000 0.793 452 P CB 0.117 31.682 31.700 -0.226 0.000 0.977 453 P HA 0.027 nan 4.420 nan 0.000 0.231 453 P C 0.301 177.480 177.300 -0.203 0.000 1.168 453 P CA 0.991 63.964 63.100 -0.212 0.000 0.779 453 P CB 0.150 31.721 31.700 -0.214 0.000 0.844 454 I N -5.564 114.841 120.570 -0.274 0.000 2.693 454 I HA 0.503 4.677 4.170 0.007 0.000 0.303 454 I C -0.013 175.985 176.117 -0.198 0.000 1.025 454 I CA -1.047 60.118 61.300 -0.224 0.000 1.086 454 I CB 1.948 39.816 38.000 -0.220 0.000 1.268 454 I HN -0.342 nan 8.210 nan 0.000 0.440 455 S N 2.443 118.084 115.700 -0.098 0.000 3.586 455 S HA -0.169 4.306 4.470 0.007 0.000 0.309 455 S C 1.309 175.865 174.600 -0.073 0.000 1.195 455 S CA 0.776 58.957 58.200 -0.032 0.000 0.895 455 S CB -1.743 61.528 63.200 0.119 0.000 0.983 455 S HN 1.240 nan 8.310 nan 0.000 0.563 456 G N 2.132 110.856 108.800 -0.126 0.000 2.529 456 G HA2 -0.301 3.663 3.960 0.007 0.000 0.219 456 G HA3 -0.301 3.663 3.960 0.007 0.000 0.219 456 G C 1.445 176.157 174.900 -0.313 0.000 1.177 456 G CA 1.653 46.676 45.100 -0.128 0.000 0.773 456 G HN 1.317 nan 8.290 nan 0.000 0.573 457 S N -0.256 114.959 115.700 -0.808 0.000 2.555 457 S HA 0.131 4.606 4.470 0.007 0.000 0.230 457 S C 1.965 176.409 174.600 -0.260 0.000 0.978 457 S CA 0.484 57.995 58.200 -1.149 0.000 0.934 457 S CB -0.043 62.337 63.200 -1.365 0.000 0.766 457 S HN 0.041 nan 8.310 nan 0.000 0.533 458 L N 2.489 123.651 121.223 -0.103 0.000 2.492 458 L HA 0.258 4.602 4.340 0.007 0.000 0.223 458 L C 1.404 178.374 176.870 0.165 0.000 1.132 458 L CA 0.724 55.611 54.840 0.078 0.000 0.850 458 L CB -1.062 41.074 42.059 0.129 0.000 0.966 458 L HN 0.607 nan 8.230 nan 0.000 0.454 459 T N -3.932 110.691 114.554 0.114 0.000 2.929 459 T HA 0.377 4.732 4.350 0.007 0.000 0.284 459 T C -1.779 173.050 174.700 0.216 0.000 1.014 459 T CA -1.799 60.387 62.100 0.145 0.000 1.051 459 T CB 1.983 70.881 68.868 0.050 0.000 1.028 459 T HN -0.115 nan 8.240 nan 0.000 0.485 460 P HA 0.024 nan 4.420 nan 0.000 0.236 460 P C 1.712 179.206 177.300 0.322 0.000 1.177 460 P CA 0.413 63.709 63.100 0.327 0.000 0.773 460 P CB -0.271 31.575 31.700 0.243 0.000 0.878 461 V N -4.030 116.017 119.914 0.221 0.000 2.809 461 V HA -0.157 3.967 4.120 0.007 0.000 0.256 461 V C 2.275 178.474 176.094 0.176 0.000 1.080 461 V CA 0.920 63.332 62.300 0.186 0.000 1.102 461 V CB -2.145 29.717 31.823 0.065 0.000 0.705 461 V HN -0.120 nan 8.190 nan 0.000 0.475 462 F N 1.928 121.844 119.950 -0.056 0.000 2.161 462 F HA -0.171 4.360 4.527 0.007 0.000 0.300 462 F C 2.448 178.425 175.800 0.295 0.000 1.089 462 F CA 2.238 60.240 58.000 0.004 0.000 1.282 462 F CB -0.216 38.626 39.000 -0.263 0.000 1.010 462 F HN 0.291 nan 8.300 nan 0.000 0.485 463 H N -1.077 118.336 119.070 0.572 0.000 2.539 463 H HA 0.113 4.674 4.556 0.007 0.000 0.267 463 H C 0.273 175.848 175.328 0.411 0.000 0.982 463 H CA 0.180 56.505 56.048 0.461 0.000 1.146 463 H CB -0.200 29.811 29.762 0.415 0.000 1.382 463 H HN 0.244 nan 8.280 nan 0.000 0.577 464 Q N 2.051 122.143 119.800 0.487 0.000 2.314 464 Q HA 0.163 4.507 4.340 0.007 0.000 0.259 464 Q C -0.517 175.721 176.000 0.398 0.000 0.951 464 Q CA -0.389 55.646 55.803 0.388 0.000 0.909 464 Q CB 0.801 29.741 28.738 0.336 0.000 1.236 464 Q HN 0.249 nan 8.270 nan 0.000 0.444 465 E N 3.148 123.522 120.200 0.290 0.000 2.404 465 E HA 0.311 4.665 4.350 0.007 0.000 0.261 465 E C -0.463 176.270 176.600 0.221 0.000 1.074 465 E CA 0.243 56.766 56.400 0.205 0.000 0.917 465 E CB 0.814 30.615 29.700 0.168 0.000 0.965 465 E HN 0.589 nan 8.360 nan 0.000 0.433 466 M N 1.189 120.913 119.600 0.207 0.000 2.470 466 M HA 0.324 4.808 4.480 0.007 0.000 0.285 466 M C -1.446 174.967 176.300 0.189 0.000 1.213 466 M CA -0.919 54.520 55.300 0.231 0.000 0.901 466 M CB 2.430 35.227 32.600 0.329 0.000 1.718 466 M HN 0.159 nan 8.290 nan 0.000 0.469 467 V N 1.761 121.799 119.914 0.206 0.000 2.384 467 V HA 0.430 4.554 4.120 0.007 0.000 0.287 467 V C -0.524 175.709 176.094 0.231 0.000 1.020 467 V CA -0.702 61.756 62.300 0.262 0.000 0.850 467 V CB 1.521 33.562 31.823 0.363 0.000 0.987 467 V HN 0.892 nan 8.190 nan 0.000 0.436 468 N N 3.873 122.694 118.700 0.202 0.000 2.392 468 N HA 0.649 5.393 4.740 0.007 0.000 0.283 468 N C -1.664 173.947 175.510 0.169 0.000 1.003 468 N CA -0.368 52.715 53.050 0.055 0.000 0.892 468 N CB 1.725 40.249 38.487 0.061 0.000 1.193 468 N HN 0.727 nan 8.380 nan 0.000 0.487 469 Y N 1.041 121.363 120.300 0.036 0.000 2.638 469 Y HA 0.522 5.076 4.550 0.007 0.000 0.335 469 Y C -1.115 174.791 175.900 0.010 0.000 1.155 469 Y CA -1.180 56.935 58.100 0.025 0.000 1.046 469 Y CB 0.645 39.122 38.460 0.029 0.000 1.303 469 Y HN 0.181 nan 8.280 nan 0.000 0.460 470 I N 3.322 123.987 120.570 0.159 0.000 2.304 470 I HA 0.348 4.522 4.170 0.007 0.000 0.291 470 I C -0.760 175.417 176.117 0.100 0.000 1.018 470 I CA -0.330 61.005 61.300 0.059 0.000 1.260 470 I CB 0.768 38.793 38.000 0.042 0.000 1.390 470 I HN 0.399 nan 8.210 nan 0.000 0.475 471 L N 5.451 126.699 121.223 0.041 0.000 2.317 471 L HA 0.441 4.785 4.340 0.007 0.000 0.281 471 L C 0.291 177.152 176.870 -0.015 0.000 1.024 471 L CA -0.390 54.475 54.840 0.042 0.000 0.810 471 L CB 1.792 43.876 42.059 0.041 0.000 1.240 471 L HN 0.534 nan 8.230 nan 0.000 0.427 472 S N 3.739 119.441 115.700 0.004 0.000 2.554 472 S HA 0.507 4.981 4.470 0.007 0.000 0.278 472 S C -2.317 172.283 174.600 -0.000 0.000 1.242 472 S CA -1.388 56.800 58.200 -0.020 0.000 1.051 472 S CB 1.032 64.236 63.200 0.007 0.000 0.986 472 S HN 0.301 nan 8.310 nan 0.000 0.502 473 P HA 0.291 nan 4.420 nan 0.000 0.267 473 P C -1.244 175.910 177.300 -0.244 0.000 1.200 473 P CA -0.108 62.886 63.100 -0.177 0.000 0.772 473 P CB 0.478 32.031 31.700 -0.245 0.000 0.855 474 A N 2.239 124.884 122.820 -0.292 0.000 2.539 474 A HA 0.685 5.010 4.320 0.007 0.000 0.296 474 A C -1.384 175.958 177.584 -0.403 0.000 1.073 474 A CA -0.572 51.290 52.037 -0.292 0.000 0.700 474 A CB 0.923 19.835 19.000 -0.146 0.000 1.296 474 A HN 0.277 nan 8.150 nan 0.000 0.405 475 F N 1.786 121.632 119.950 -0.173 0.000 2.391 475 F HA 0.492 5.022 4.527 0.006 0.000 0.359 475 F C 1.160 176.829 175.800 -0.218 0.000 1.122 475 F CA 0.030 57.917 58.000 -0.188 0.000 1.120 475 F CB 1.185 40.022 39.000 -0.272 0.000 1.142 475 F HN 0.492 nan 8.300 nan 0.000 0.483 476 R N 2.028 122.531 120.500 0.006 0.000 2.607 476 R HA 0.455 4.799 4.340 0.007 0.000 0.261 476 R C -1.035 175.203 176.300 -0.104 0.000 1.051 476 R CA -0.996 55.059 56.100 -0.075 0.000 1.110 476 R CB 1.115 31.413 30.300 -0.002 0.000 1.158 476 R HN 0.440 nan 8.270 nan 0.000 0.543 477 Y N 0.468 120.791 120.300 0.038 0.000 2.374 477 Y HA 0.190 4.744 4.550 0.007 0.000 0.322 477 Y C 0.569 176.470 175.900 0.002 0.000 1.275 477 Y CA -0.268 57.845 58.100 0.022 0.000 1.307 477 Y CB 0.974 39.435 38.460 0.001 0.000 1.282 477 Y HN 0.417 nan 8.280 nan 0.000 0.509 478 Q N 0.413 120.306 119.800 0.154 0.000 2.377 478 Q HA 0.558 4.902 4.340 0.007 0.000 0.279 478 Q C -3.146 172.830 176.000 -0.041 0.000 1.049 478 Q CA -2.395 53.433 55.803 0.042 0.000 0.825 478 Q CB 1.819 30.573 28.738 0.027 0.000 1.401 478 Q HN 0.317 nan 8.270 nan 0.000 0.404 479 P HA 0.058 nan 4.420 nan 0.000 0.265 479 P C -0.812 176.307 177.300 -0.302 0.000 1.193 479 P CA 0.086 63.076 63.100 -0.182 0.000 0.765 479 P CB 0.328 31.930 31.700 -0.165 0.000 0.823 480 D N 4.255 124.368 120.400 -0.477 0.000 2.571 480 D HA -0.061 4.583 4.640 0.007 0.000 0.231 480 D C -1.172 174.562 176.300 -0.944 0.000 1.133 480 D CA -0.390 53.076 54.000 -0.890 0.000 0.862 480 D CB 0.115 40.057 40.800 -1.431 0.000 1.179 480 D HN 0.282 nan 8.370 nan 0.000 0.474 481 P HA -0.023 nan 4.420 nan 0.000 0.223 481 P C 0.135 177.067 177.300 -0.613 0.000 1.151 481 P CA 0.672 63.329 63.100 -0.739 0.000 0.787 481 P CB 0.127 31.223 31.700 -1.005 0.000 0.788 482 W N 0.000 120.916 121.300 -0.641 0.000 2.388 482 W HA 0.000 4.664 4.660 0.006 0.000 0.303 482 W CA 0.000 57.121 57.345 -0.373 0.000 1.226 482 W CB 0.000 29.259 29.460 -0.335 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535