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 1xh0_1_A DATA FIRST_RESID 2 DATA SEQUENCE YSPNTQQGRT SIVHLFEWRW VDIALEcERY LAPKGFGGVQ VSPPNENVAI DATA SEQUENCE YNPFRPWWER YQPVSYKLcT RSGNEDEFRN MVTRcNNVGV RIYVDAVINH DATA SEQUENCE MCGNAVSAGT SSTcGSYFNP GSRDFPAVPY SGWDFNDGKc KTGSGDIENY DATA SEQUENCE NDATQVRDcR LTGLLDLALE KDYVRSKIAE YMNHLIDIGV AGFRLDASKH DATA SEQUENCE MWPGDIKAIL DKLHNLNSNW FPAGSKPFIY QEVIDLGGEP IKSSDYFGNG DATA SEQUENCE RVTEFKYGAK LGTVIRKWNG EKMSYLKNWG EGWGFVPSDR ALVFVDSHDN DATA SEQUENCE QRGHGAGGAS ILTFWDARLY KMAVGFMLAH PYGFTRVMSS YRWPRQFQNG DATA SEQUENCE NDVNDWVGPP NNNGVIKEVT INPDTTcGND WVcEHRWRQI RNMVIFRNVV DATA SEQUENCE DGQPFTNWYD NGSNQVAFGR GNRGFIVFNN DDWSFSLTLQ TGLPAGTYcD DATA SEQUENCE VISGDKINGN cTGIKIYVSD DGKAHFSISN SAEDPFIAIH AESKL 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 2 Y HA 0.000 nan 4.550 nan 0.000 0.201 2 Y C 0.000 175.999 175.900 0.165 0.000 1.272 2 Y CA 0.000 58.196 58.100 0.159 0.000 1.940 2 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 3 S N 3.338 119.154 115.700 0.193 0.000 2.523 3 S HA 0.273 4.743 4.470 -0.000 0.000 0.275 3 S C -1.862 172.535 174.600 -0.337 0.000 1.281 3 S CA -1.217 56.941 58.200 -0.069 0.000 1.050 3 S CB 1.181 64.372 63.200 -0.016 0.000 0.937 3 S HN -0.033 nan 8.310 nan 0.000 0.492 4 P HA 0.036 nan 4.420 nan 0.000 0.223 4 P C 0.063 177.140 177.300 -0.372 0.000 1.151 4 P CA 0.545 62.792 63.100 -1.422 0.000 0.787 4 P CB -0.070 30.680 31.700 -1.584 0.000 0.788 5 N N -2.538 116.065 118.700 -0.160 0.000 2.800 5 N HA -0.106 4.634 4.740 -0.000 0.000 0.250 5 N C -0.164 175.427 175.510 0.134 0.000 1.078 5 N CA 1.485 54.573 53.050 0.062 0.000 0.804 5 N CB -2.317 36.235 38.487 0.108 0.000 1.135 5 N HN 0.321 nan 8.380 nan 0.000 0.565 6 T N -2.112 112.470 114.554 0.047 0.000 2.868 6 T HA 0.234 4.584 4.350 -0.000 0.000 0.292 6 T C 0.541 175.271 174.700 0.051 0.000 1.028 6 T CA -0.495 61.656 62.100 0.086 0.000 1.059 6 T CB 1.918 70.848 68.868 0.104 0.000 0.991 6 T HN 0.213 nan 8.240 nan 0.000 0.531 7 Q N 0.898 120.717 119.800 0.031 0.000 2.330 7 Q HA 0.022 4.362 4.340 -0.000 0.000 0.279 7 Q C 0.296 176.302 176.000 0.010 0.000 1.024 7 Q CA -0.208 55.598 55.803 0.005 0.000 0.900 7 Q CB 0.472 29.201 28.738 -0.014 0.000 1.221 7 Q HN 0.695 nan 8.270 nan 0.000 0.396 8 Q N 1.970 121.773 119.800 0.005 0.000 2.283 8 Q HA 0.034 4.374 4.340 -0.000 0.000 0.301 8 Q C 0.463 176.460 176.000 -0.005 0.000 1.063 8 Q CA 1.361 57.165 55.803 0.002 0.000 0.952 8 Q CB 0.127 28.865 28.738 0.000 0.000 1.166 8 Q HN 1.015 nan 8.270 nan 0.000 0.381 9 G N 3.847 112.642 108.800 -0.007 0.000 2.254 9 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.225 9 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.225 9 G C -0.137 174.744 174.900 -0.031 0.000 1.003 9 G CA -0.137 44.949 45.100 -0.022 0.000 0.622 9 G HN 0.595 nan 8.290 nan 0.000 0.507 10 R N 0.966 121.459 120.500 -0.012 0.000 2.294 10 R HA 0.554 4.894 4.340 -0.000 0.000 0.319 10 R C 0.928 177.234 176.300 0.009 0.000 0.984 10 R CA 0.347 56.436 56.100 -0.018 0.000 0.861 10 R CB 1.044 31.351 30.300 0.012 0.000 1.104 10 R HN 0.317 nan 8.270 nan 0.000 0.451 11 T N -2.545 111.970 114.554 -0.064 0.000 3.145 11 T HA 0.251 4.601 4.350 -0.000 0.000 0.281 11 T C 0.244 174.679 174.700 -0.442 0.000 1.003 11 T CA -0.306 61.730 62.100 -0.107 0.000 0.901 11 T CB 0.417 69.214 68.868 -0.120 0.000 1.112 11 T HN 0.283 nan 8.240 nan 0.000 0.535 12 S N 1.294 116.792 115.700 -0.337 0.000 2.588 12 S HA 0.776 5.246 4.470 -0.000 0.000 0.275 12 S C -0.879 173.655 174.600 -0.110 0.000 1.130 12 S CA -1.074 56.858 58.200 -0.445 0.000 0.855 12 S CB 1.805 64.805 63.200 -0.333 0.000 1.116 12 S HN 0.601 nan 8.310 nan 0.000 0.472 13 I N -0.862 119.666 120.570 -0.070 0.000 2.740 13 I HA 0.922 5.092 4.170 -0.000 0.000 0.303 13 I C -1.010 175.179 176.117 0.120 0.000 1.044 13 I CA -1.034 60.344 61.300 0.129 0.000 1.064 13 I CB 1.791 39.884 38.000 0.154 0.000 1.249 13 I HN 0.446 nan 8.210 nan 0.000 0.433 14 V N 3.699 123.698 119.914 0.141 0.000 2.604 14 V HA 0.429 4.548 4.120 -0.000 0.000 0.305 14 V C -1.108 175.008 176.094 0.037 0.000 1.043 14 V CA -0.344 61.989 62.300 0.055 0.000 0.888 14 V CB 1.631 33.393 31.823 -0.102 0.000 0.995 14 V HN 0.883 nan 8.190 nan 0.000 0.429 15 H N 6.736 125.762 119.070 -0.072 0.000 2.820 15 H HA 0.418 4.973 4.556 -0.000 0.000 0.278 15 H C -0.403 174.847 175.328 -0.131 0.000 1.142 15 H CA -0.582 55.445 56.048 -0.035 0.000 1.346 15 H CB 0.509 30.284 29.762 0.021 0.000 1.438 15 H HN 0.615 nan 8.280 nan 0.000 0.473 16 L N 6.998 128.087 121.223 -0.222 0.000 2.466 16 L HA 0.095 4.435 4.340 -0.000 0.000 0.248 16 L C 0.083 176.794 176.870 -0.265 0.000 1.240 16 L CA -0.645 53.755 54.840 -0.733 0.000 1.180 16 L CB -0.724 40.586 42.059 -1.249 0.000 1.413 16 L HN 0.470 nan 8.230 nan 0.000 0.406 17 F N 4.361 124.047 119.950 -0.440 0.000 2.539 17 F HA -0.053 4.474 4.527 -0.000 0.000 0.393 17 F C 1.342 177.348 175.800 0.344 0.000 1.032 17 F CA 0.337 58.170 58.000 -0.279 0.000 1.120 17 F CB -0.193 38.543 39.000 -0.441 0.000 1.014 17 F HN 0.516 nan 8.300 nan 0.000 0.546 18 E N 2.366 122.574 120.200 0.013 0.000 3.801 18 E HA -0.297 4.053 4.350 -0.000 0.000 0.319 18 E C -0.446 176.248 176.600 0.157 0.000 0.784 18 E CA 0.875 57.261 56.400 -0.024 0.000 1.183 18 E CB -1.698 27.848 29.700 -0.257 0.000 1.601 18 E HN 0.636 nan 8.360 nan 0.000 0.441 19 W N 1.670 122.879 121.300 -0.151 0.000 2.137 19 W HA 0.187 4.847 4.660 -0.000 0.000 0.344 19 W C 1.519 177.846 176.519 -0.320 0.000 1.286 19 W CA 0.095 57.242 57.345 -0.330 0.000 1.240 19 W CB 0.242 29.527 29.460 -0.290 0.000 1.141 19 W HN -0.092 nan 8.180 nan 0.000 0.579 20 R N 1.585 121.993 120.500 -0.152 0.000 2.531 20 R HA 0.105 4.445 4.340 -0.000 0.000 0.273 20 R C 1.044 177.360 176.300 0.027 0.000 1.070 20 R CA -0.395 55.555 56.100 -0.250 0.000 1.112 20 R CB 0.545 30.728 30.300 -0.195 0.000 1.049 20 R HN 0.688 nan 8.270 nan 0.000 0.508 21 W N 0.634 121.986 121.300 0.088 0.000 2.335 21 W HA -0.235 4.425 4.660 -0.000 0.000 0.311 21 W C 1.979 178.517 176.519 0.032 0.000 1.213 21 W CA 0.243 57.634 57.345 0.077 0.000 1.274 21 W CB -0.321 29.207 29.460 0.112 0.000 1.148 21 W HN 0.431 nan 8.180 nan 0.000 0.498 22 V N 1.155 121.217 119.914 0.247 0.000 2.392 22 V HA -0.277 3.843 4.120 -0.000 0.000 0.249 22 V C 1.725 177.874 176.094 0.091 0.000 1.059 22 V CA 2.401 64.779 62.300 0.130 0.000 1.051 22 V CB -0.538 31.329 31.823 0.074 0.000 0.658 22 V HN 0.079 nan 8.190 nan 0.000 0.455 23 D N -0.173 120.270 120.400 0.071 0.000 2.149 23 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 23 D C 2.065 178.500 176.300 0.225 0.000 0.972 23 D CA 1.645 55.675 54.000 0.050 0.000 0.835 23 D CB -0.072 40.631 40.800 -0.162 0.000 0.966 23 D HN 0.504 nan 8.370 nan 0.000 0.476 24 I N 1.206 121.945 120.570 0.282 0.000 2.315 24 I HA -0.196 3.974 4.170 -0.000 0.000 0.248 24 I C 2.521 178.690 176.117 0.086 0.000 1.117 24 I CA 0.639 62.062 61.300 0.206 0.000 1.404 24 I CB -0.201 37.917 38.000 0.198 0.000 1.071 24 I HN -0.100 nan 8.210 nan 0.000 0.419 25 A N 1.268 124.133 122.820 0.076 0.000 1.877 25 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 25 A C 2.305 179.905 177.584 0.027 0.000 1.186 25 A CA 1.438 53.483 52.037 0.015 0.000 0.620 25 A CB -0.820 18.189 19.000 0.016 0.000 0.822 25 A HN 0.363 nan 8.150 nan 0.000 0.443 26 L N -1.146 120.111 121.223 0.056 0.000 2.046 26 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 26 L C 2.663 179.580 176.870 0.079 0.000 1.077 26 L CA 1.745 56.619 54.840 0.056 0.000 0.747 26 L CB -0.464 41.626 42.059 0.051 0.000 0.896 26 L HN 0.453 nan 8.230 nan 0.000 0.432 27 E N -0.325 119.944 120.200 0.115 0.000 2.110 27 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 27 E C 2.260 178.910 176.600 0.083 0.000 0.988 27 E CA 1.457 57.939 56.400 0.137 0.000 0.804 27 E CB -0.224 29.576 29.700 0.167 0.000 0.745 27 E HN 0.424 nan 8.360 nan 0.000 0.458 28 c N 0.575 119.189 118.600 0.023 0.000 2.413 28 c HA -0.120 4.450 4.570 -0.000 0.000 0.276 28 c C 2.358 176.457 174.090 0.015 0.000 1.236 28 c CA 1.263 57.587 56.329 -0.009 0.000 1.735 28 c CB -0.891 41.587 42.510 -0.055 0.000 2.031 28 c HN 0.546 nan 8.230 nan 0.000 0.474 29 E N 0.413 120.626 120.200 0.022 0.000 2.046 29 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 29 E C 2.331 178.961 176.600 0.050 0.000 0.982 29 E CA 0.997 57.412 56.400 0.025 0.000 0.800 29 E CB -0.264 29.447 29.700 0.020 0.000 0.756 29 E HN 0.707 nan 8.360 nan 0.000 0.449 30 R N -0.869 119.681 120.500 0.082 0.000 2.246 30 R HA -0.021 4.319 4.340 -0.000 0.000 0.199 30 R C 1.266 177.678 176.300 0.186 0.000 0.984 30 R CA 1.019 57.186 56.100 0.112 0.000 1.015 30 R CB 0.049 30.416 30.300 0.111 0.000 0.930 30 R HN 0.234 nan 8.270 nan 0.000 0.475 31 Y N 0.056 120.374 120.300 0.031 0.000 3.087 31 Y HA 0.263 4.813 4.550 -0.000 0.000 0.227 31 Y C 1.756 177.683 175.900 0.045 0.000 1.015 31 Y CA -0.234 57.890 58.100 0.039 0.000 1.399 31 Y CB 0.170 38.647 38.460 0.028 0.000 1.483 31 Y HN -0.158 nan 8.280 nan 0.000 0.420 32 L N 0.610 121.892 121.223 0.099 0.000 2.013 32 L HA -0.242 4.098 4.340 -0.000 0.000 0.212 32 L C 2.630 179.553 176.870 0.088 0.000 1.073 32 L CA 1.738 56.588 54.840 0.017 0.000 0.753 32 L CB -1.000 41.037 42.059 -0.037 0.000 0.890 32 L HN 0.399 nan 8.230 nan 0.000 0.432 33 A N 0.328 123.170 122.820 0.037 0.000 1.858 33 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 33 A C 0.138 177.729 177.584 0.011 0.000 1.190 33 A CA 1.624 53.676 52.037 0.025 0.000 0.617 33 A CB -1.842 17.159 19.000 0.003 0.000 0.827 33 A HN 0.298 nan 8.150 nan 0.000 0.443 34 P HA -0.105 nan 4.420 nan 0.000 0.218 34 P C 0.906 178.172 177.300 -0.057 0.000 1.148 34 P CA 1.273 64.352 63.100 -0.034 0.000 0.822 34 P CB 0.023 31.701 31.700 -0.037 0.000 0.784 35 K N -1.477 118.867 120.400 -0.094 0.000 2.487 35 K HA 0.271 4.591 4.320 -0.000 0.000 0.192 35 K C 1.185 177.785 176.600 0.001 0.000 1.027 35 K CA 0.641 56.886 56.287 -0.071 0.000 1.054 35 K CB -0.913 31.461 32.500 -0.210 0.000 0.824 35 K HN 0.138 nan 8.250 nan 0.000 0.510 36 G N 0.256 109.071 108.800 0.024 0.000 2.136 36 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.242 36 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.242 36 G C -0.184 174.675 174.900 -0.069 0.000 0.989 36 G CA -0.345 44.732 45.100 -0.038 0.000 0.682 36 G HN 0.181 nan 8.290 nan 0.000 0.522 37 F N 0.558 120.485 119.950 -0.038 0.000 2.429 37 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 37 F C 1.816 177.618 175.800 0.003 0.000 1.109 37 F CA 0.926 58.920 58.000 -0.010 0.000 1.232 37 F CB 1.317 40.324 39.000 0.012 0.000 1.157 37 F HN -0.004 nan 8.300 nan 0.000 0.564 38 G N 1.344 110.239 108.800 0.157 0.000 2.430 38 G HA2 0.400 4.360 3.960 -0.000 0.000 0.216 38 G HA3 0.400 4.360 3.960 -0.000 0.000 0.216 38 G C 0.471 175.499 174.900 0.214 0.000 1.146 38 G CA 0.661 45.856 45.100 0.158 0.000 0.793 38 G HN 1.018 nan 8.290 nan 0.000 0.537 39 G N -2.018 106.945 108.800 0.271 0.000 2.495 39 G HA2 0.459 4.419 3.960 -0.000 0.000 0.294 39 G HA3 0.459 4.419 3.960 -0.000 0.000 0.294 39 G C -2.176 172.872 174.900 0.246 0.000 1.397 39 G CA -0.320 44.950 45.100 0.283 0.000 0.790 39 G HN 0.440 nan 8.290 nan 0.000 0.486 40 V N 0.347 120.374 119.914 0.187 0.000 2.588 40 V HA 0.577 4.697 4.120 -0.000 0.000 0.304 40 V C -0.134 176.106 176.094 0.243 0.000 1.042 40 V CA -0.675 61.696 62.300 0.119 0.000 0.877 40 V CB 1.671 33.468 31.823 -0.044 0.000 0.996 40 V HN 0.851 nan 8.190 nan 0.000 0.425 41 Q N 3.446 123.400 119.800 0.257 0.000 2.303 41 Q HA 0.618 4.958 4.340 -0.000 0.000 0.257 41 Q C -0.682 175.506 176.000 0.313 0.000 0.941 41 Q CA -0.463 55.518 55.803 0.297 0.000 0.931 41 Q CB 1.785 30.639 28.738 0.193 0.000 1.215 41 Q HN 0.802 nan 8.270 nan 0.000 0.437 42 V N 1.196 121.288 119.914 0.298 0.000 2.834 42 V HA 0.600 4.720 4.120 -0.000 0.000 0.313 42 V C 0.090 176.458 176.094 0.456 0.000 1.060 42 V CA -0.796 61.750 62.300 0.410 0.000 0.989 42 V CB 1.669 33.744 31.823 0.420 0.000 1.041 42 V HN 0.768 nan 8.190 nan 0.000 0.459 43 S N 2.761 118.776 115.700 0.525 0.000 2.600 43 S HA 0.360 4.830 4.470 -0.000 0.000 0.265 43 S C -2.401 172.419 174.600 0.368 0.000 1.325 43 S CA -0.443 58.009 58.200 0.421 0.000 1.002 43 S CB 0.239 63.625 63.200 0.311 0.000 0.921 43 S HN 0.843 nan 8.310 nan 0.000 0.554 44 P HA 0.020 nan 4.420 nan 0.000 0.256 44 P C -1.895 175.550 177.300 0.242 0.000 1.173 44 P CA -0.557 62.629 63.100 0.145 0.000 0.768 44 P CB 0.058 31.714 31.700 -0.073 0.000 0.758 45 P HA -0.033 nan 4.420 nan 0.000 0.255 45 P C -0.303 177.091 177.300 0.157 0.000 1.248 45 P CA 0.508 63.785 63.100 0.294 0.000 0.807 45 P CB 0.255 31.830 31.700 -0.208 0.000 1.150 46 N N 0.450 119.225 118.700 0.125 0.000 2.492 46 N HA 0.073 4.813 4.740 -0.000 0.000 0.289 46 N C -0.223 175.265 175.510 -0.036 0.000 1.133 46 N CA -0.538 52.528 53.050 0.026 0.000 0.961 46 N CB 1.412 39.848 38.487 -0.084 0.000 1.186 46 N HN -0.046 nan 8.380 nan 0.000 0.493 47 E N 0.529 120.685 120.200 -0.073 0.000 2.529 47 E HA -0.094 4.256 4.350 -0.000 0.000 0.259 47 E C -0.387 176.122 176.600 -0.151 0.000 0.966 47 E CA 0.011 56.353 56.400 -0.096 0.000 0.937 47 E CB 0.291 29.934 29.700 -0.095 0.000 0.923 47 E HN 0.730 nan 8.360 nan 0.000 0.468 48 N N 1.994 120.605 118.700 -0.147 0.000 2.577 48 N HA 0.248 4.988 4.740 -0.000 0.000 0.285 48 N C -0.920 174.460 175.510 -0.216 0.000 1.309 48 N CA -0.767 52.176 53.050 -0.179 0.000 0.798 48 N CB 1.024 39.427 38.487 -0.140 0.000 1.463 48 N HN 0.191 nan 8.380 nan 0.000 0.518 49 V N 0.296 120.072 119.914 -0.231 0.000 2.637 49 V HA 0.319 4.439 4.120 -0.000 0.000 0.296 49 V C 0.647 176.656 176.094 -0.142 0.000 1.046 49 V CA -0.537 61.636 62.300 -0.213 0.000 1.066 49 V CB 0.565 32.312 31.823 -0.128 0.000 0.968 49 V HN 0.839 nan 8.190 nan 0.000 0.483 50 A N 7.177 129.939 122.820 -0.095 0.000 2.316 50 A HA 0.623 4.943 4.320 -0.000 0.000 0.311 50 A C -0.268 177.151 177.584 -0.276 0.000 1.339 50 A CA -0.309 51.594 52.037 -0.223 0.000 0.960 50 A CB -0.306 18.623 19.000 -0.118 0.000 1.152 50 A HN 0.766 nan 8.150 nan 0.000 0.547 51 I N 2.627 122.953 120.570 -0.407 0.000 2.321 51 I HA 0.212 4.382 4.170 -0.000 0.000 0.291 51 I C -0.121 175.681 176.117 -0.526 0.000 0.998 51 I CA -0.120 60.989 61.300 -0.318 0.000 1.227 51 I CB 1.201 39.045 38.000 -0.259 0.000 1.368 51 I HN 0.788 nan 8.210 nan 0.000 0.466 52 Y N 3.325 123.585 120.300 -0.068 0.000 2.458 52 Y HA 0.165 4.715 4.550 -0.000 0.000 0.254 52 Y C 0.725 176.648 175.900 0.038 0.000 1.120 52 Y CA -0.227 57.885 58.100 0.021 0.000 1.282 52 Y CB 0.306 38.825 38.460 0.098 0.000 1.109 52 Y HN 0.510 nan 8.280 nan 0.000 0.526 53 N N 1.442 120.173 118.700 0.053 0.000 2.609 53 N HA 0.233 4.973 4.740 -0.000 0.000 0.268 53 N C -2.846 172.591 175.510 -0.122 0.000 1.106 53 N CA -1.824 51.209 53.050 -0.029 0.000 0.823 53 N CB 1.095 39.594 38.487 0.020 0.000 1.263 53 N HN -0.153 nan 8.380 nan 0.000 0.533 54 P HA 0.128 nan 4.420 nan 0.000 0.273 54 P C -0.509 176.621 177.300 -0.283 0.000 1.250 54 P CA -0.341 62.417 63.100 -0.569 0.000 0.793 54 P CB 0.564 31.398 31.700 -1.444 0.000 1.011 55 F N 2.589 122.385 119.950 -0.256 0.000 2.490 55 F HA 0.095 4.621 4.527 -0.000 0.000 0.357 55 F C 0.719 176.496 175.800 -0.039 0.000 1.166 55 F CA -0.130 57.845 58.000 -0.041 0.000 1.116 55 F CB -0.361 38.701 39.000 0.103 0.000 1.171 55 F HN 0.227 nan 8.300 nan 0.000 0.576 56 R N 3.464 123.540 120.500 -0.707 0.000 3.092 56 R HA -0.160 4.179 4.340 -0.000 0.000 0.245 56 R C -2.621 173.428 176.300 -0.418 0.000 0.881 56 R CA 0.271 55.954 56.100 -0.695 0.000 0.614 56 R CB -2.436 27.325 30.300 -0.899 0.000 1.128 56 R HN 0.408 nan 8.270 nan 0.000 0.483 57 P HA -0.037 nan 4.420 nan 0.000 0.272 57 P C 1.493 178.486 177.300 -0.511 0.000 1.230 57 P CA -0.442 62.318 63.100 -0.568 0.000 0.788 57 P CB 0.254 31.061 31.700 -1.488 0.000 0.949 58 W N 2.866 124.022 121.300 -0.239 0.000 2.363 58 W HA -0.111 4.549 4.660 -0.000 0.000 0.296 58 W C 1.685 178.307 176.519 0.172 0.000 1.212 58 W CA 0.829 58.179 57.345 0.007 0.000 1.260 58 W CB -1.837 27.799 29.460 0.295 0.000 1.131 58 W HN 0.464 nan 8.180 nan 0.000 0.530 59 W N 3.440 124.244 121.300 -0.825 0.000 2.961 59 W HA 0.024 4.684 4.660 -0.000 0.000 0.240 59 W C 1.504 177.925 176.519 -0.163 0.000 1.305 59 W CA 0.874 57.830 57.345 -0.648 0.000 1.465 59 W CB -1.380 27.330 29.460 -1.249 0.000 1.135 59 W HN 0.220 nan 8.180 nan 0.000 0.688 60 E N 1.757 121.891 120.200 -0.110 0.000 2.268 60 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 60 E C 1.786 178.378 176.600 -0.014 0.000 0.995 60 E CA 0.697 57.070 56.400 -0.045 0.000 0.836 60 E CB -0.505 29.038 29.700 -0.263 0.000 0.763 60 E HN 0.252 nan 8.360 nan 0.000 0.491 61 R N -0.358 120.123 120.500 -0.032 0.000 2.323 61 R HA -0.005 4.335 4.340 -0.000 0.000 0.198 61 R C 0.305 176.398 176.300 -0.345 0.000 0.988 61 R CA 0.560 56.558 56.100 -0.171 0.000 1.041 61 R CB 0.005 30.192 30.300 -0.188 0.000 0.926 61 R HN 0.305 nan 8.270 nan 0.000 0.476 62 Y N 0.312 120.719 120.300 0.179 0.000 2.658 62 Y HA 0.223 4.773 4.550 -0.000 0.000 0.276 62 Y C 0.083 176.117 175.900 0.224 0.000 1.167 62 Y CA -0.106 58.131 58.100 0.229 0.000 1.230 62 Y CB 0.618 39.252 38.460 0.290 0.000 1.144 62 Y HN -0.107 nan 8.280 nan 0.000 0.529 63 Q N 1.085 120.980 119.800 0.159 0.000 2.932 63 Q HA 0.284 4.624 4.340 -0.000 0.000 0.248 63 Q C -2.757 173.227 176.000 -0.028 0.000 0.982 63 Q CA -2.040 53.834 55.803 0.118 0.000 0.730 63 Q CB 1.477 30.282 28.738 0.112 0.000 1.249 63 Q HN 0.069 nan 8.270 nan 0.000 0.476 64 P HA -0.041 nan 4.420 nan 0.000 0.269 64 P C 0.123 177.287 177.300 -0.227 0.000 1.209 64 P CA 0.099 63.086 63.100 -0.188 0.000 0.776 64 P CB 1.220 32.782 31.700 -0.230 0.000 0.876 65 V N 0.429 120.182 119.914 -0.270 0.000 3.371 65 V HA 0.120 4.240 4.120 -0.000 0.000 0.246 65 V C 0.740 176.740 176.094 -0.156 0.000 1.303 65 V CA 1.351 63.526 62.300 -0.209 0.000 1.156 65 V CB 0.533 32.097 31.823 -0.430 0.000 0.929 65 V HN 0.802 nan 8.190 nan 0.000 0.459 66 S N -2.191 113.304 115.700 -0.340 0.000 2.703 66 S HA 0.463 4.933 4.470 -0.000 0.000 0.273 66 S C -0.882 173.327 174.600 -0.652 0.000 1.178 66 S CA -0.376 57.545 58.200 -0.466 0.000 0.838 66 S CB 0.936 64.012 63.200 -0.206 0.000 1.178 66 S HN -0.031 nan 8.310 nan 0.000 0.494 67 Y N 0.866 120.995 120.300 -0.286 0.000 2.607 67 Y HA 0.454 5.004 4.550 -0.000 0.000 0.266 67 Y C 0.536 176.309 175.900 -0.211 0.000 1.178 67 Y CA -0.790 57.038 58.100 -0.453 0.000 1.226 67 Y CB -0.132 37.985 38.460 -0.571 0.000 1.144 67 Y HN 0.392 nan 8.280 nan 0.000 0.528 68 K N 1.016 121.391 120.400 -0.041 0.000 2.368 68 K HA 0.155 4.475 4.320 -0.000 0.000 0.282 68 K C -0.579 176.046 176.600 0.042 0.000 1.035 68 K CA -0.445 55.848 56.287 0.010 0.000 0.973 68 K CB 0.685 33.185 32.500 -0.001 0.000 0.957 68 K HN -0.042 nan 8.250 nan 0.000 0.474 69 L N 4.069 125.341 121.223 0.082 0.000 2.382 69 L HA 0.054 4.394 4.340 -0.000 0.000 0.259 69 L C -0.242 176.708 176.870 0.134 0.000 1.291 69 L CA 0.248 55.134 54.840 0.077 0.000 1.176 69 L CB -0.513 41.555 42.059 0.015 0.000 1.373 69 L HN 0.606 nan 8.230 nan 0.000 0.426 70 c N 2.242 120.910 118.600 0.112 0.000 2.892 70 c HA 0.739 5.309 4.570 -0.000 0.000 0.360 70 c C 0.252 174.377 174.090 0.057 0.000 1.054 70 c CA 0.100 56.491 56.329 0.103 0.000 1.326 70 c CB 0.112 42.663 42.510 0.069 0.000 1.806 70 c HN 0.891 nan 8.230 nan 0.000 0.490 71 T N 1.954 116.539 114.554 0.053 0.000 2.696 71 T HA 0.499 4.849 4.350 -0.000 0.000 0.291 71 T C 0.903 175.538 174.700 -0.109 0.000 1.095 71 T CA -0.678 61.401 62.100 -0.035 0.000 1.026 71 T CB 1.043 69.893 68.868 -0.030 0.000 1.390 71 T HN 0.539 nan 8.240 nan 0.000 0.513 72 R N 0.139 120.544 120.500 -0.158 0.000 2.293 72 R HA 0.035 4.375 4.340 -0.000 0.000 0.219 72 R C 1.916 178.049 176.300 -0.278 0.000 1.091 72 R CA 0.914 56.904 56.100 -0.183 0.000 1.004 72 R CB -0.391 29.798 30.300 -0.185 0.000 0.865 72 R HN 0.539 nan 8.270 nan 0.000 0.469 73 S N -0.529 114.895 115.700 -0.460 0.000 2.496 73 S HA 0.148 4.618 4.470 -0.000 0.000 0.224 73 S C 0.729 174.796 174.600 -0.889 0.000 0.996 73 S CA 0.629 58.298 58.200 -0.886 0.000 0.927 73 S CB 0.767 62.903 63.200 -1.772 0.000 0.774 73 S HN 0.647 nan 8.310 nan 0.000 0.524 74 G N 1.441 109.988 108.800 -0.422 0.000 2.369 74 G HA2 0.112 4.072 3.960 -0.000 0.000 0.307 74 G HA3 0.112 4.072 3.960 -0.000 0.000 0.307 74 G C -1.299 173.750 174.900 0.249 0.000 1.327 74 G CA -0.647 44.437 45.100 -0.027 0.000 0.963 74 G HN 0.355 nan 8.290 nan 0.000 0.590 75 N N -0.772 118.107 118.700 0.299 0.000 2.538 75 N HA 0.470 5.210 4.740 -0.000 0.000 0.292 75 N C 1.071 176.786 175.510 0.341 0.000 1.262 75 N CA 0.104 53.315 53.050 0.268 0.000 0.976 75 N CB 0.952 39.542 38.487 0.172 0.000 1.161 75 N HN 0.749 nan 8.380 nan 0.000 0.598 76 E N -0.841 119.506 120.200 0.245 0.000 2.077 76 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 76 E C 0.423 177.166 176.600 0.238 0.000 0.989 76 E CA 1.335 57.883 56.400 0.246 0.000 0.800 76 E CB -0.133 29.692 29.700 0.209 0.000 0.746 76 E HN 0.527 nan 8.360 nan 0.000 0.452 77 D N 0.623 121.137 120.400 0.190 0.000 2.104 77 D HA -0.192 4.447 4.640 -0.000 0.000 0.194 77 D C 1.767 178.159 176.300 0.153 0.000 0.994 77 D CA 1.325 55.414 54.000 0.149 0.000 0.830 77 D CB -0.186 40.687 40.800 0.122 0.000 0.959 77 D HN 0.406 nan 8.370 nan 0.000 0.452 78 E N -0.192 120.137 120.200 0.215 0.000 2.106 78 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 78 E C 1.943 178.665 176.600 0.204 0.000 0.984 78 E CA 0.339 56.886 56.400 0.244 0.000 0.806 78 E CB -0.184 29.725 29.700 0.348 0.000 0.750 78 E HN 0.227 nan 8.360 nan 0.000 0.458 79 F N 1.905 121.859 119.950 0.005 0.000 2.113 79 F HA -0.094 4.433 4.527 -0.000 0.000 0.297 79 F C 2.232 177.878 175.800 -0.256 0.000 1.103 79 F CA 1.386 59.143 58.000 -0.406 0.000 1.248 79 F CB 0.096 38.797 39.000 -0.497 0.000 0.999 79 F HN -0.226 nan 8.300 nan 0.000 0.475 80 R N 0.154 120.629 120.500 -0.042 0.000 2.096 80 R HA -0.204 4.136 4.340 -0.000 0.000 0.235 80 R C 2.261 178.473 176.300 -0.147 0.000 1.127 80 R CA 1.385 57.425 56.100 -0.102 0.000 0.968 80 R CB -0.884 29.440 30.300 0.040 0.000 0.861 80 R HN 0.431 nan 8.270 nan 0.000 0.440 81 N N 1.020 119.675 118.700 -0.075 0.000 2.120 81 N HA -0.202 4.538 4.740 -0.000 0.000 0.188 81 N C 1.864 177.298 175.510 -0.127 0.000 1.024 81 N CA 1.256 54.274 53.050 -0.052 0.000 0.852 81 N CB 0.028 38.522 38.487 0.011 0.000 1.003 81 N HN 0.225 nan 8.380 nan 0.000 0.424 82 M N 0.735 120.210 119.600 -0.210 0.000 2.099 82 M HA -0.131 4.348 4.480 -0.000 0.000 0.262 82 M C 1.905 177.971 176.300 -0.389 0.000 1.067 82 M CA 1.369 56.510 55.300 -0.265 0.000 1.124 82 M CB -0.062 32.352 32.600 -0.310 0.000 1.353 82 M HN -0.056 nan 8.290 nan 0.000 0.410 83 V N 0.569 120.135 119.914 -0.579 0.000 2.343 83 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 83 V C 2.340 178.114 176.094 -0.534 0.000 1.051 83 V CA 2.336 64.277 62.300 -0.599 0.000 1.036 83 V CB -1.386 30.037 31.823 -0.665 0.000 0.654 83 V HN 0.583 nan 8.190 nan 0.000 0.451 84 T N -0.110 114.230 114.554 -0.357 0.000 2.652 84 T HA -0.220 4.130 4.350 -0.000 0.000 0.267 84 T C 2.091 176.683 174.700 -0.181 0.000 1.039 84 T CA 1.824 63.803 62.100 -0.203 0.000 1.153 84 T CB -0.256 68.652 68.868 0.067 0.000 0.863 84 T HN 0.428 nan 8.240 nan 0.000 0.428 85 R N 0.071 120.486 120.500 -0.141 0.000 2.081 85 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 85 R C 2.836 179.045 176.300 -0.152 0.000 1.131 85 R CA 1.405 57.445 56.100 -0.099 0.000 0.960 85 R CB -0.818 29.443 30.300 -0.066 0.000 0.856 85 R HN 0.375 nan 8.270 nan 0.000 0.436 86 c N 0.733 119.198 118.600 -0.224 0.000 2.432 86 c HA -0.037 4.533 4.570 -0.000 0.000 0.277 86 c C 2.336 176.244 174.090 -0.304 0.000 1.249 86 c CA 0.502 56.692 56.329 -0.232 0.000 1.725 86 c CB -0.995 41.359 42.510 -0.260 0.000 2.028 86 c HN 0.507 nan 8.230 nan 0.000 0.477 87 N N 1.506 119.903 118.700 -0.504 0.000 2.120 87 N HA -0.090 4.650 4.740 -0.000 0.000 0.188 87 N C 1.330 176.571 175.510 -0.449 0.000 1.024 87 N CA 1.081 53.696 53.050 -0.725 0.000 0.852 87 N CB -0.654 36.855 38.487 -1.630 0.000 1.003 87 N HN 0.507 nan 8.380 nan 0.000 0.424 88 N N 0.245 118.813 118.700 -0.220 0.000 2.443 88 N HA -0.087 4.653 4.740 -0.000 0.000 0.184 88 N C 1.187 176.685 175.510 -0.021 0.000 1.037 88 N CA 0.294 53.364 53.050 0.033 0.000 0.896 88 N CB 0.078 38.622 38.487 0.096 0.000 0.959 88 N HN 0.061 nan 8.380 nan 0.000 0.442 89 V N -0.787 119.079 119.914 -0.080 0.000 3.427 89 V HA 0.303 4.423 4.120 -0.000 0.000 0.305 89 V C 0.998 177.051 176.094 -0.068 0.000 1.412 89 V CA 0.663 62.930 62.300 -0.055 0.000 1.086 89 V CB -0.323 31.474 31.823 -0.043 0.000 0.964 89 V HN 0.392 nan 8.190 nan 0.000 0.439 90 G N 0.485 109.218 108.800 -0.112 0.000 2.143 90 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.249 90 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.249 90 G C 0.113 174.956 174.900 -0.094 0.000 0.981 90 G CA 0.264 45.299 45.100 -0.108 0.000 0.665 90 G HN 0.635 nan 8.290 nan 0.000 0.528 91 V N 2.540 122.384 119.914 -0.117 0.000 2.347 91 V HA 0.558 4.678 4.120 -0.000 0.000 0.280 91 V C 0.651 176.651 176.094 -0.157 0.000 1.021 91 V CA -1.220 61.032 62.300 -0.080 0.000 0.847 91 V CB 1.335 33.123 31.823 -0.057 0.000 0.990 91 V HN 0.321 nan 8.190 nan 0.000 0.444 92 R N 4.174 124.599 120.500 -0.124 0.000 2.615 92 R HA 0.512 4.852 4.340 -0.000 0.000 0.270 92 R C -0.528 175.526 176.300 -0.410 0.000 1.081 92 R CA -0.655 55.278 56.100 -0.278 0.000 1.154 92 R CB 0.808 30.935 30.300 -0.288 0.000 1.063 92 R HN 0.416 nan 8.270 nan 0.000 0.519 93 I N 2.624 122.842 120.570 -0.587 0.000 2.406 93 I HA 0.276 4.446 4.170 -0.000 0.000 0.290 93 I C -0.711 174.988 176.117 -0.696 0.000 0.999 93 I CA -0.917 60.084 61.300 -0.498 0.000 1.124 93 I CB 1.160 38.903 38.000 -0.428 0.000 1.289 93 I HN 0.409 nan 8.210 nan 0.000 0.441 94 Y N 4.823 125.095 120.300 -0.046 0.000 2.328 94 Y HA 0.455 5.005 4.550 -0.000 0.000 0.336 94 Y C 0.227 176.099 175.900 -0.047 0.000 0.960 94 Y CA -0.889 57.178 58.100 -0.054 0.000 1.134 94 Y CB 1.873 40.439 38.460 0.177 0.000 1.166 94 Y HN 0.179 nan 8.280 nan 0.000 0.464 95 V N 3.231 123.112 119.914 -0.057 0.000 2.465 95 V HA 0.092 4.212 4.120 -0.000 0.000 0.279 95 V C -0.050 176.144 176.094 0.166 0.000 1.045 95 V CA -0.757 61.590 62.300 0.078 0.000 0.938 95 V CB 1.381 33.245 31.823 0.068 0.000 0.986 95 V HN 0.662 nan 8.190 nan 0.000 0.467 96 D N 4.360 124.875 120.400 0.191 0.000 2.359 96 D HA 0.280 4.920 4.640 -0.000 0.000 0.250 96 D C 0.121 176.551 176.300 0.217 0.000 1.264 96 D CA -0.057 54.054 54.000 0.184 0.000 0.911 96 D CB 1.130 42.069 40.800 0.232 0.000 1.056 96 D HN 0.678 nan 8.370 nan 0.000 0.499 97 A N 4.283 127.219 122.820 0.193 0.000 2.316 97 A HA 0.373 4.693 4.320 -0.000 0.000 0.311 97 A C -0.054 177.618 177.584 0.146 0.000 1.339 97 A CA -0.669 51.479 52.037 0.184 0.000 0.960 97 A CB 0.585 19.622 19.000 0.061 0.000 1.152 97 A HN 0.382 nan 8.150 nan 0.000 0.547 98 V N 5.636 125.643 119.914 0.156 0.000 2.258 98 V HA 0.136 4.256 4.120 -0.000 0.000 0.258 98 V C 0.899 176.984 176.094 -0.016 0.000 1.121 98 V CA 0.295 62.636 62.300 0.069 0.000 0.942 98 V CB -0.463 31.389 31.823 0.048 0.000 1.170 98 V HN 0.873 nan 8.190 nan 0.000 0.487 99 I N 0.422 120.976 120.570 -0.026 0.000 4.154 99 I HA 0.334 4.504 4.170 -0.000 0.000 0.334 99 I C 1.526 177.611 176.117 -0.054 0.000 1.371 99 I CA 0.229 61.514 61.300 -0.025 0.000 1.110 99 I CB 0.124 38.108 38.000 -0.026 0.000 1.085 99 I HN 0.466 nan 8.210 nan 0.000 0.398 100 N N 1.571 120.225 118.700 -0.077 0.000 2.354 100 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 100 N C 0.578 176.133 175.510 0.075 0.000 1.021 100 N CA 1.102 54.187 53.050 0.057 0.000 0.887 100 N CB 0.184 38.823 38.487 0.254 0.000 0.974 100 N HN 0.688 nan 8.380 nan 0.000 0.437 101 H N -3.716 115.375 119.070 0.034 0.000 2.905 101 H HA 0.322 4.878 4.556 0.000 0.000 0.280 101 H C -0.590 174.734 175.328 -0.007 0.000 1.445 101 H CA -0.859 55.202 56.048 0.022 0.000 1.165 101 H CB 0.421 30.195 29.762 0.019 0.000 1.857 101 H HN -0.186 nan 8.280 nan 0.000 0.567 102 M N 0.690 120.345 119.600 0.091 0.000 2.532 102 M HA 0.330 4.809 4.480 -0.000 0.000 0.257 102 M C 1.008 177.367 176.300 0.099 0.000 0.941 102 M CA -0.458 54.786 55.300 -0.093 0.000 1.206 102 M CB 0.535 32.841 32.600 -0.490 0.000 1.472 102 M HN 0.895 nan 8.290 nan 0.000 0.665 103 C N 0.020 119.370 119.300 0.083 0.000 2.711 103 C HA 0.721 5.181 4.460 -0.000 0.000 0.306 103 C C 1.045 176.108 174.990 0.120 0.000 1.479 103 C CA -0.888 58.212 59.018 0.135 0.000 2.271 103 C CB -0.908 26.905 27.740 0.123 0.000 2.155 103 C HN 0.848 nan 8.230 nan 0.000 0.674 104 G N 1.544 110.398 108.800 0.091 0.000 2.432 104 G HA2 0.179 4.139 3.960 -0.000 0.000 0.239 104 G HA3 0.179 4.139 3.960 -0.000 0.000 0.239 104 G C 0.935 175.859 174.900 0.040 0.000 1.291 104 G CA 0.253 45.374 45.100 0.035 0.000 0.863 104 G HN 1.040 nan 8.290 nan 0.000 0.560 105 N N 1.520 120.212 118.700 -0.013 0.000 2.381 105 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 105 N C 1.712 177.206 175.510 -0.027 0.000 1.025 105 N CA 1.116 54.144 53.050 -0.036 0.000 0.888 105 N CB -0.000 38.444 38.487 -0.072 0.000 0.965 105 N HN 0.432 nan 8.380 nan 0.000 0.438 106 A N 0.774 123.585 122.820 -0.014 0.000 2.238 106 A HA 0.267 4.587 4.320 -0.000 0.000 0.210 106 A C 0.820 178.407 177.584 0.006 0.000 1.179 106 A CA -0.316 51.713 52.037 -0.014 0.000 0.827 106 A CB 0.025 19.015 19.000 -0.017 0.000 0.856 106 A HN 0.101 nan 8.150 nan 0.000 0.488 107 V N 1.725 121.665 119.914 0.044 0.000 2.673 107 V HA 0.044 4.164 4.120 -0.000 0.000 0.303 107 V C 0.792 176.892 176.094 0.010 0.000 1.046 107 V CA 0.022 62.372 62.300 0.083 0.000 1.126 107 V CB 0.911 32.859 31.823 0.208 0.000 0.934 107 V HN 0.411 nan 8.190 nan 0.000 0.487 108 S N 3.669 119.356 115.700 -0.021 0.000 2.549 108 S HA 0.424 4.894 4.470 -0.000 0.000 0.283 108 S C 0.546 174.961 174.600 -0.308 0.000 1.320 108 S CA -0.151 57.981 58.200 -0.115 0.000 1.058 108 S CB 0.887 64.044 63.200 -0.072 0.000 0.882 108 S HN 1.070 nan 8.310 nan 0.000 0.498 109 A N 2.518 125.115 122.820 -0.372 0.000 2.406 109 A HA 0.712 5.032 4.320 -0.000 0.000 0.243 109 A C 0.985 178.242 177.584 -0.545 0.000 1.082 109 A CA 0.426 52.083 52.037 -0.633 0.000 0.786 109 A CB -0.340 18.421 19.000 -0.399 0.000 1.029 109 A HN 1.375 nan 8.150 nan 0.000 0.495 110 G N -1.013 107.360 108.800 -0.713 0.000 2.302 110 G HA2 0.382 4.342 3.960 -0.000 0.000 0.264 110 G HA3 0.382 4.342 3.960 -0.000 0.000 0.264 110 G C 0.003 174.777 174.900 -0.210 0.000 1.335 110 G CA 0.495 45.442 45.100 -0.256 0.000 0.982 110 G HN 1.705 nan 8.290 nan 0.000 0.473 111 T N -2.235 112.343 114.554 0.039 0.000 3.266 111 T HA 0.515 4.865 4.350 -0.000 0.000 0.278 111 T C 0.851 175.686 174.700 0.226 0.000 1.010 111 T CA 0.926 63.132 62.100 0.177 0.000 0.909 111 T CB 0.732 69.698 68.868 0.164 0.000 1.122 111 T HN 1.131 nan 8.240 nan 0.000 0.536 112 S N 2.921 118.782 115.700 0.268 0.000 4.183 112 S HA 0.423 4.893 4.470 -0.000 0.000 0.195 112 S C 0.289 175.092 174.600 0.339 0.000 1.421 112 S CA -0.583 57.796 58.200 0.297 0.000 0.920 112 S CB -1.023 62.342 63.200 0.275 0.000 1.525 112 S HN 0.749 nan 8.310 nan 0.000 0.447 113 S N 0.763 116.602 115.700 0.232 0.000 2.632 113 S HA 0.401 4.871 4.470 -0.000 0.000 0.289 113 S C 1.074 175.691 174.600 0.029 0.000 1.115 113 S CA -0.343 57.893 58.200 0.060 0.000 0.889 113 S CB 1.079 64.293 63.200 0.023 0.000 1.116 113 S HN 0.441 nan 8.310 nan 0.000 0.486 114 T N -3.154 111.378 114.554 -0.036 0.000 3.098 114 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 114 T C 1.030 175.732 174.700 0.003 0.000 1.145 114 T CA 0.923 63.006 62.100 -0.030 0.000 1.092 114 T CB -0.644 68.185 68.868 -0.065 0.000 0.908 114 T HN 0.643 nan 8.240 nan 0.000 0.526 115 c N 0.361 118.972 118.600 0.018 0.000 3.525 115 c HA 0.677 5.247 4.570 -0.000 0.000 0.289 115 c C 2.024 176.149 174.090 0.058 0.000 1.496 115 c CA -0.077 56.273 56.329 0.036 0.000 1.804 115 c CB -0.779 41.748 42.510 0.028 0.000 2.708 115 c HN 0.880 nan 8.230 nan 0.000 0.642 116 G N 1.374 110.222 108.800 0.080 0.000 2.179 116 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.260 116 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.260 116 G C 0.240 175.222 174.900 0.137 0.000 0.977 116 G CA 0.548 45.711 45.100 0.105 0.000 0.641 116 G HN 0.579 nan 8.290 nan 0.000 0.533 117 S N 0.018 115.797 115.700 0.131 0.000 2.560 117 S HA 0.402 4.872 4.470 -0.000 0.000 0.284 117 S C 0.033 174.802 174.600 0.282 0.000 1.327 117 S CA -0.238 58.061 58.200 0.165 0.000 1.055 117 S CB 0.724 63.986 63.200 0.104 0.000 0.868 117 S HN 0.595 nan 8.310 nan 0.000 0.506 118 Y N 4.254 124.640 120.300 0.143 0.000 2.304 118 Y HA 0.542 5.092 4.550 -0.000 0.000 0.327 118 Y C -0.494 175.522 175.900 0.193 0.000 1.209 118 Y CA -1.000 57.169 58.100 0.115 0.000 1.299 118 Y CB 0.374 38.842 38.460 0.013 0.000 1.249 118 Y HN 0.567 nan 8.280 nan 0.000 0.519 119 F N 3.449 122.794 119.950 -1.008 0.000 2.665 119 F HA 0.417 4.943 4.527 -0.000 0.000 0.308 119 F C -1.943 173.198 175.800 -1.098 0.000 1.112 119 F CA -1.426 56.009 58.000 -0.941 0.000 0.972 119 F CB 1.198 39.849 39.000 -0.581 0.000 1.295 119 F HN 0.433 nan 8.300 nan 0.000 0.440 120 N N 3.669 121.807 118.700 -0.938 0.000 2.664 120 N HA 0.421 5.161 4.740 -0.000 0.000 0.257 120 N C -2.539 172.660 175.510 -0.519 0.000 1.108 120 N CA -2.214 50.430 53.050 -0.676 0.000 0.822 120 N CB 2.126 40.373 38.487 -0.400 0.000 1.199 120 N HN 0.304 nan 8.380 nan 0.000 0.529 121 P HA -0.007 nan 4.420 nan 0.000 0.216 121 P C 1.320 178.526 177.300 -0.156 0.000 1.153 121 P CA 1.055 64.052 63.100 -0.171 0.000 0.848 121 P CB 0.232 31.942 31.700 0.016 0.000 0.787 122 G N 0.054 108.761 108.800 -0.155 0.000 2.469 122 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 122 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 122 G C 1.440 176.268 174.900 -0.121 0.000 1.150 122 G CA 1.395 46.422 45.100 -0.122 0.000 0.763 122 G HN 0.442 nan 8.290 nan 0.000 0.561 123 S N -1.064 114.559 115.700 -0.128 0.000 2.597 123 S HA 0.326 4.796 4.470 -0.000 0.000 0.224 123 S C 1.044 175.596 174.600 -0.080 0.000 0.955 123 S CA 0.056 58.200 58.200 -0.094 0.000 0.933 123 S CB 0.336 63.500 63.200 -0.060 0.000 0.788 123 S HN 0.200 nan 8.310 nan 0.000 0.488 124 R N 0.490 120.924 120.500 -0.110 0.000 3.641 124 R HA -0.143 4.197 4.340 -0.000 0.000 0.286 124 R C -1.206 175.227 176.300 0.221 0.000 1.153 124 R CA 0.809 56.905 56.100 -0.007 0.000 0.775 124 R CB -2.818 27.471 30.300 -0.020 0.000 1.215 124 R HN 0.633 nan 8.270 nan 0.000 0.474 125 D N -0.375 119.996 120.400 -0.049 0.000 2.373 125 D HA 0.391 5.031 4.640 -0.000 0.000 0.227 125 D C -0.712 175.450 176.300 -0.230 0.000 1.091 125 D CA -0.197 53.809 54.000 0.011 0.000 0.840 125 D CB 0.336 41.135 40.800 -0.003 0.000 1.060 125 D HN 0.063 nan 8.370 nan 0.000 0.502 126 F N 5.094 125.182 119.950 0.229 0.000 2.531 126 F HA 0.281 4.808 4.527 -0.000 0.000 0.333 126 F C -1.437 174.448 175.800 0.142 0.000 1.292 126 F CA -1.643 56.470 58.000 0.189 0.000 1.184 126 F CB 1.554 40.699 39.000 0.242 0.000 1.426 126 F HN 0.293 nan 8.300 nan 0.000 0.559 127 P HA -0.239 nan 4.420 nan 0.000 0.220 127 P C 1.360 178.739 177.300 0.131 0.000 1.144 127 P CA 1.450 64.663 63.100 0.189 0.000 0.800 127 P CB 0.339 32.158 31.700 0.200 0.000 0.772 128 A N -0.582 122.309 122.820 0.119 0.000 2.168 128 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 128 A C 2.284 179.853 177.584 -0.026 0.000 1.152 128 A CA 0.936 53.003 52.037 0.050 0.000 0.716 128 A CB -1.110 17.916 19.000 0.043 0.000 0.794 128 A HN 0.098 nan 8.150 nan 0.000 0.465 129 V N 0.480 120.349 119.914 -0.075 0.000 2.300 129 V HA 0.031 4.151 4.120 -0.000 0.000 0.241 129 V C -1.406 174.609 176.094 -0.131 0.000 1.034 129 V CA 1.339 63.499 62.300 -0.233 0.000 1.021 129 V CB -0.920 30.508 31.823 -0.659 0.000 0.662 129 V HN 0.485 nan 8.190 nan 0.000 0.458 130 P HA 0.425 nan 4.420 nan 0.000 0.289 130 P C -1.983 175.376 177.300 0.099 0.000 1.293 130 P CA -0.266 62.859 63.100 0.042 0.000 0.897 130 P CB 1.970 33.752 31.700 0.137 0.000 1.166 131 Y N -0.482 120.001 120.300 0.306 0.000 2.545 131 Y HA 0.528 5.078 4.550 0.000 0.000 0.348 131 Y C 0.829 176.965 175.900 0.393 0.000 1.002 131 Y CA -0.366 57.922 58.100 0.313 0.000 1.039 131 Y CB 2.330 40.899 38.460 0.181 0.000 1.271 131 Y HN 0.521 nan 8.280 nan 0.000 0.467 132 S N -1.274 114.756 115.700 0.550 0.000 2.794 132 S HA 0.564 5.034 4.470 -0.000 0.000 0.299 132 S C 0.969 175.799 174.600 0.384 0.000 1.179 132 S CA -0.371 58.094 58.200 0.442 0.000 0.838 132 S CB 1.118 64.548 63.200 0.383 0.000 1.206 132 S HN 0.849 nan 8.310 nan 0.000 0.523 133 G N -0.090 108.759 108.800 0.081 0.000 2.475 133 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.220 133 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.220 133 G C 0.715 175.500 174.900 -0.190 0.000 1.125 133 G CA 0.819 45.846 45.100 -0.121 0.000 0.755 133 G HN 0.783 nan 8.290 nan 0.000 0.565 134 W N 0.829 122.232 121.300 0.171 0.000 2.825 134 W HA 0.204 4.864 4.660 0.000 0.000 0.243 134 W C 1.165 177.715 176.519 0.052 0.000 1.293 134 W CA 0.270 57.673 57.345 0.097 0.000 1.403 134 W CB 0.224 29.715 29.460 0.051 0.000 1.134 134 W HN 0.094 nan 8.180 nan 0.000 0.666 135 D N -0.857 119.617 120.400 0.123 0.000 2.340 135 D HA 0.088 4.728 4.640 -0.000 0.000 0.217 135 D C -0.222 175.721 176.300 -0.595 0.000 1.081 135 D CA 0.424 54.303 54.000 -0.200 0.000 0.842 135 D CB -0.087 40.537 40.800 -0.294 0.000 0.934 135 D HN 0.050 nan 8.370 nan 0.000 0.511 136 F N 0.179 120.112 119.950 -0.029 0.000 2.594 136 F HA 0.325 4.852 4.527 0.000 0.000 0.335 136 F C 1.371 177.162 175.800 -0.014 0.000 1.058 136 F CA -1.064 56.905 58.000 -0.052 0.000 0.981 136 F CB 0.826 39.792 39.000 -0.056 0.000 1.289 136 F HN -0.367 nan 8.300 nan 0.000 0.490 137 N N 0.851 119.672 118.700 0.201 0.000 2.313 137 N HA -0.023 4.717 4.740 -0.000 0.000 0.207 137 N C 0.609 176.176 175.510 0.095 0.000 1.141 137 N CA 0.292 53.417 53.050 0.125 0.000 0.830 137 N CB -0.221 38.335 38.487 0.115 0.000 1.008 137 N HN 0.553 nan 8.380 nan 0.000 0.481 138 D N 0.375 120.829 120.400 0.089 0.000 2.158 138 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 138 D C 1.746 178.061 176.300 0.025 0.000 0.995 138 D CA 1.111 55.130 54.000 0.032 0.000 0.846 138 D CB -0.066 40.731 40.800 -0.005 0.000 0.941 138 D HN 0.351 nan 8.370 nan 0.000 0.456 139 G N 0.143 108.965 108.800 0.036 0.000 2.777 139 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.211 139 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.211 139 G C 1.501 176.427 174.900 0.045 0.000 1.149 139 G CA 0.024 45.145 45.100 0.035 0.000 0.785 139 G HN 0.202 nan 8.290 nan 0.000 0.536 140 K N -0.403 120.031 120.400 0.057 0.000 2.242 140 K HA 0.070 4.390 4.320 -0.000 0.000 0.200 140 K C 0.801 177.438 176.600 0.061 0.000 1.050 140 K CA -0.170 56.155 56.287 0.063 0.000 0.981 140 K CB -0.034 32.515 32.500 0.083 0.000 0.795 140 K HN 0.215 nan 8.250 nan 0.000 0.477 141 c N 2.977 121.608 118.600 0.053 0.000 2.648 141 c HA 0.178 4.748 4.570 -0.000 0.000 0.419 141 c C 0.940 175.045 174.090 0.025 0.000 1.352 141 c CA -0.325 56.027 56.329 0.039 0.000 1.816 141 c CB 0.034 42.557 42.510 0.023 0.000 2.598 141 c HN 0.330 nan 8.230 nan 0.000 0.598 142 K N 3.701 124.115 120.400 0.022 0.000 2.373 142 K HA 0.114 4.434 4.320 -0.000 0.000 0.202 142 K C 0.947 177.549 176.600 0.004 0.000 1.025 142 K CA 0.140 56.436 56.287 0.015 0.000 1.115 142 K CB -0.300 32.212 32.500 0.021 0.000 0.858 142 K HN 0.913 nan 8.250 nan 0.000 0.525 143 T N -2.834 111.718 114.554 -0.005 0.000 2.882 143 T HA 0.307 4.657 4.350 -0.000 0.000 0.287 143 T C 1.528 176.221 174.700 -0.012 0.000 1.014 143 T CA -0.203 61.889 62.100 -0.012 0.000 1.049 143 T CB 1.711 70.564 68.868 -0.024 0.000 1.001 143 T HN 0.129 nan 8.240 nan 0.000 0.525 144 G N 0.351 109.144 108.800 -0.012 0.000 2.443 144 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 144 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 144 G C 1.627 176.517 174.900 -0.017 0.000 1.131 144 G CA 0.706 45.798 45.100 -0.012 0.000 0.775 144 G HN 0.928 nan 8.290 nan 0.000 0.547 145 S N -1.260 114.428 115.700 -0.021 0.000 2.503 145 S HA 0.377 4.847 4.470 -0.000 0.000 0.217 145 S C 1.944 176.525 174.600 -0.032 0.000 0.999 145 S CA 1.013 59.197 58.200 -0.027 0.000 0.914 145 S CB 0.203 63.386 63.200 -0.029 0.000 0.782 145 S HN 1.448 nan 8.310 nan 0.000 0.520 146 G N 0.887 109.669 108.800 -0.030 0.000 2.217 146 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 146 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 146 G C -0.308 174.566 174.900 -0.043 0.000 0.990 146 G CA 0.275 45.356 45.100 -0.032 0.000 0.627 146 G HN 0.559 nan 8.290 nan 0.000 0.522 147 D N -0.117 120.253 120.400 -0.051 0.000 2.440 147 D HA 0.592 5.232 4.640 -0.000 0.000 0.258 147 D C 0.982 177.236 176.300 -0.076 0.000 1.092 147 D CA -0.612 53.347 54.000 -0.069 0.000 1.016 147 D CB 0.774 41.532 40.800 -0.070 0.000 1.141 147 D HN 0.238 nan 8.370 nan 0.000 0.552 148 I N 1.097 121.603 120.570 -0.106 0.000 2.471 148 I HA 0.021 4.191 4.170 -0.000 0.000 0.286 148 I C 1.239 177.298 176.117 -0.098 0.000 1.079 148 I CA 0.469 61.679 61.300 -0.149 0.000 1.398 148 I CB 0.538 38.385 38.000 -0.255 0.000 1.403 148 I HN 0.301 nan 8.210 nan 0.000 0.530 149 E N 3.950 124.100 120.200 -0.085 0.000 2.421 149 E HA 0.119 4.469 4.350 -0.000 0.000 0.209 149 E C 0.268 176.873 176.600 0.009 0.000 0.871 149 E CA 0.040 56.425 56.400 -0.023 0.000 1.064 149 E CB 0.643 30.331 29.700 -0.020 0.000 1.075 149 E HN 0.608 nan 8.360 nan 0.000 0.513 150 N N -0.258 118.419 118.700 -0.038 0.000 2.480 150 N HA 0.104 4.844 4.740 -0.000 0.000 0.289 150 N C -0.721 174.768 175.510 -0.035 0.000 1.073 150 N CA -0.188 52.872 53.050 0.017 0.000 0.885 150 N CB 0.772 39.264 38.487 0.008 0.000 1.421 150 N HN -0.086 nan 8.380 nan 0.000 0.503 151 Y N 2.150 122.441 120.300 -0.014 0.000 2.578 151 Y HA 0.089 4.639 4.550 -0.001 0.000 0.297 151 Y C 1.501 177.385 175.900 -0.027 0.000 1.176 151 Y CA 0.644 58.730 58.100 -0.024 0.000 1.315 151 Y CB -0.099 38.342 38.460 -0.031 0.000 1.031 151 Y HN 0.627 nan 8.280 nan 0.000 0.524 152 N N -0.387 118.366 118.700 0.088 0.000 2.398 152 N HA -0.078 4.662 4.740 -0.000 0.000 0.188 152 N C -0.233 175.288 175.510 0.018 0.000 1.122 152 N CA 0.128 53.207 53.050 0.049 0.000 0.866 152 N CB 0.228 38.740 38.487 0.042 0.000 0.970 152 N HN 0.134 nan 8.380 nan 0.000 0.462 153 D N 0.238 120.633 120.400 -0.007 0.000 2.472 153 D HA 0.280 4.920 4.640 -0.000 0.000 0.234 153 D C 0.633 176.903 176.300 -0.051 0.000 1.088 153 D CA -0.616 53.374 54.000 -0.016 0.000 0.882 153 D CB 1.032 41.821 40.800 -0.019 0.000 1.037 153 D HN 0.052 nan 8.370 nan 0.000 0.520 154 A N 2.893 125.692 122.820 -0.035 0.000 2.076 154 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 154 A C 1.939 179.435 177.584 -0.148 0.000 1.160 154 A CA 1.693 53.672 52.037 -0.096 0.000 0.653 154 A CB -0.414 18.556 19.000 -0.049 0.000 0.801 154 A HN 0.585 nan 8.150 nan 0.000 0.455 155 T N 0.356 114.913 114.554 0.006 0.000 2.770 155 T HA -0.142 4.208 4.350 -0.000 0.000 0.258 155 T C 2.120 176.840 174.700 0.032 0.000 1.039 155 T CA 1.543 63.719 62.100 0.126 0.000 1.143 155 T CB -0.291 68.703 68.868 0.211 0.000 0.866 155 T HN 0.881 nan 8.240 nan 0.000 0.428 156 Q N 1.038 120.826 119.800 -0.020 0.000 2.224 156 Q HA -0.015 4.325 4.340 -0.000 0.000 0.203 156 Q C 2.112 178.040 176.000 -0.120 0.000 0.970 156 Q CA 1.042 56.815 55.803 -0.049 0.000 0.865 156 Q CB -0.740 27.960 28.738 -0.064 0.000 0.922 156 Q HN 0.296 nan 8.270 nan 0.000 0.445 157 V N 0.932 120.726 119.914 -0.200 0.000 2.490 157 V HA -0.220 3.900 4.120 -0.000 0.000 0.250 157 V C 2.063 178.077 176.094 -0.134 0.000 1.061 157 V CA 2.039 64.191 62.300 -0.247 0.000 1.064 157 V CB -0.430 31.190 31.823 -0.339 0.000 0.670 157 V HN 0.277 nan 8.190 nan 0.000 0.461 158 R N -0.197 120.147 120.500 -0.261 0.000 2.156 158 R HA 0.058 4.398 4.340 -0.000 0.000 0.207 158 R C 1.645 177.921 176.300 -0.039 0.000 1.040 158 R CA 0.835 56.740 56.100 -0.326 0.000 1.013 158 R CB -0.266 29.369 30.300 -1.109 0.000 0.931 158 R HN 0.459 nan 8.270 nan 0.000 0.465 159 D N -1.218 119.217 120.400 0.059 0.000 2.367 159 D HA 0.097 4.737 4.640 -0.000 0.000 0.207 159 D C 0.120 176.458 176.300 0.064 0.000 1.034 159 D CA 0.255 54.333 54.000 0.129 0.000 0.861 159 D CB 0.247 41.160 40.800 0.187 0.000 0.943 159 D HN 0.072 nan 8.370 nan 0.000 0.515 160 c N 0.761 119.368 118.600 0.011 0.000 2.354 160 c HA 0.466 5.036 4.570 -0.000 0.000 0.381 160 c C 0.739 174.799 174.090 -0.049 0.000 1.240 160 c CA -0.961 55.357 56.329 -0.019 0.000 2.089 160 c CB 1.241 43.724 42.510 -0.046 0.000 2.234 160 c HN 0.069 nan 8.230 nan 0.000 0.544 161 R N 1.138 121.598 120.500 -0.067 0.000 2.316 161 R HA 0.315 4.655 4.340 -0.000 0.000 0.314 161 R C -0.657 175.539 176.300 -0.173 0.000 1.069 161 R CA -0.477 55.560 56.100 -0.105 0.000 0.959 161 R CB 0.252 30.499 30.300 -0.089 0.000 0.987 161 R HN 0.458 nan 8.270 nan 0.000 0.446 162 L N 3.820 124.879 121.223 -0.273 0.000 2.456 162 L HA -0.023 4.317 4.340 -0.000 0.000 0.277 162 L C 0.722 177.428 176.870 -0.273 0.000 1.124 162 L CA 0.990 55.613 54.840 -0.363 0.000 0.880 162 L CB 0.464 42.149 42.059 -0.622 0.000 1.192 162 L HN 0.848 nan 8.230 nan 0.000 0.463 163 T N 4.159 118.600 114.554 -0.187 0.000 3.622 163 T HA -0.206 4.144 4.350 -0.000 0.000 0.380 163 T C 1.193 175.794 174.700 -0.165 0.000 0.764 163 T CA 1.722 63.724 62.100 -0.163 0.000 1.908 163 T CB -1.658 67.100 68.868 -0.183 0.000 1.771 163 T HN 2.060 nan 8.240 nan 0.000 0.706 164 G N -0.541 108.175 108.800 -0.140 0.000 2.234 164 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.260 164 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.260 164 G C -0.020 174.813 174.900 -0.112 0.000 0.987 164 G CA 0.083 45.114 45.100 -0.114 0.000 0.625 164 G HN 0.799 nan 8.290 nan 0.000 0.532 165 L N 1.604 122.730 121.223 -0.163 0.000 2.477 165 L HA 0.318 4.658 4.340 -0.000 0.000 0.272 165 L C 1.436 178.274 176.870 -0.054 0.000 1.157 165 L CA -0.122 54.634 54.840 -0.139 0.000 0.889 165 L CB 0.224 42.044 42.059 -0.398 0.000 1.158 165 L HN 0.225 nan 8.230 nan 0.000 0.473 166 L N 3.752 124.969 121.223 -0.010 0.000 2.660 166 L HA -0.098 4.242 4.340 -0.000 0.000 0.272 166 L C 0.443 177.426 176.870 0.188 0.000 1.194 166 L CA 0.219 55.038 54.840 -0.036 0.000 0.945 166 L CB -0.176 41.706 42.059 -0.294 0.000 1.212 166 L HN 0.552 nan 8.230 nan 0.000 0.490 167 D N 4.007 124.527 120.400 0.202 0.000 2.316 167 D HA 0.304 4.944 4.640 -0.000 0.000 0.245 167 D C -0.216 176.236 176.300 0.254 0.000 1.171 167 D CA -0.248 53.881 54.000 0.214 0.000 0.856 167 D CB 0.750 41.619 40.800 0.114 0.000 1.090 167 D HN 0.253 nan 8.370 nan 0.000 0.476 168 L N 2.571 123.838 121.223 0.073 0.000 2.416 168 L HA 0.276 4.616 4.340 -0.000 0.000 0.272 168 L C 0.699 177.506 176.870 -0.104 0.000 1.161 168 L CA -0.684 54.026 54.840 -0.217 0.000 0.845 168 L CB 0.886 42.756 42.059 -0.316 0.000 1.119 168 L HN 0.476 nan 8.230 nan 0.000 0.464 169 A N 5.342 128.068 122.820 -0.157 0.000 2.915 169 A HA 0.266 4.586 4.320 -0.000 0.000 0.292 169 A C 1.116 178.686 177.584 -0.023 0.000 1.632 169 A CA -0.331 51.687 52.037 -0.032 0.000 1.337 169 A CB -0.503 18.491 19.000 -0.011 0.000 1.111 169 A HN 0.845 nan 8.150 nan 0.000 0.569 170 L N 0.948 122.181 121.223 0.016 0.000 2.549 170 L HA -0.119 4.221 4.340 -0.000 0.000 0.230 170 L C 2.466 179.359 176.870 0.039 0.000 1.162 170 L CA 1.072 55.928 54.840 0.027 0.000 0.834 170 L CB -0.246 41.853 42.059 0.066 0.000 0.947 170 L HN 0.858 nan 8.230 nan 0.000 0.452 171 E N 0.930 121.154 120.200 0.041 0.000 2.371 171 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 171 E C 0.322 176.935 176.600 0.020 0.000 1.012 171 E CA 0.133 56.544 56.400 0.018 0.000 0.860 171 E CB 0.094 29.789 29.700 -0.007 0.000 0.811 171 E HN 0.369 nan 8.360 nan 0.000 0.502 172 K N 1.625 122.047 120.400 0.035 0.000 2.339 172 K HA 0.026 4.346 4.320 -0.000 0.000 0.286 172 K C 0.162 176.802 176.600 0.066 0.000 1.050 172 K CA 0.098 56.422 56.287 0.063 0.000 0.956 172 K CB 1.095 33.655 32.500 0.100 0.000 0.990 172 K HN -0.082 nan 8.250 nan 0.000 0.475 173 D N 1.953 122.395 120.400 0.070 0.000 2.144 173 D HA -0.232 4.408 4.640 -0.000 0.000 0.199 173 D C 1.473 177.823 176.300 0.084 0.000 0.984 173 D CA 1.341 55.376 54.000 0.059 0.000 0.834 173 D CB 0.054 40.887 40.800 0.055 0.000 0.955 173 D HN 0.619 nan 8.370 nan 0.000 0.465 174 Y N 0.402 120.721 120.300 0.032 0.000 2.128 174 Y HA -0.209 4.341 4.550 -0.000 0.000 0.284 174 Y C 2.069 178.020 175.900 0.084 0.000 1.154 174 Y CA 1.457 59.590 58.100 0.054 0.000 1.149 174 Y CB -0.554 37.948 38.460 0.070 0.000 0.976 174 Y HN -0.079 nan 8.280 nan 0.000 0.505 175 V N 0.795 120.724 119.914 0.024 0.000 2.358 175 V HA -0.286 3.834 4.120 -0.000 0.000 0.246 175 V C 2.399 178.448 176.094 -0.074 0.000 1.047 175 V CA 2.224 64.509 62.300 -0.026 0.000 1.035 175 V CB -0.617 31.191 31.823 -0.025 0.000 0.658 175 V HN 0.335 nan 8.190 nan 0.000 0.452 176 R N -0.037 120.429 120.500 -0.056 0.000 2.096 176 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 176 R C 2.534 178.769 176.300 -0.108 0.000 1.127 176 R CA 1.689 57.749 56.100 -0.067 0.000 0.968 176 R CB -0.400 29.878 30.300 -0.037 0.000 0.861 176 R HN 0.457 nan 8.270 nan 0.000 0.440 177 S N 0.449 116.074 115.700 -0.127 0.000 2.387 177 S HA -0.027 4.443 4.470 -0.000 0.000 0.226 177 S C 1.616 176.094 174.600 -0.204 0.000 1.026 177 S CA 0.837 58.952 58.200 -0.143 0.000 0.972 177 S CB 0.084 63.220 63.200 -0.107 0.000 0.814 177 S HN 0.163 nan 8.310 nan 0.000 0.477 178 K N 1.461 121.683 120.400 -0.296 0.000 2.148 178 K HA 0.139 4.459 4.320 -0.000 0.000 0.204 178 K C 1.848 178.285 176.600 -0.272 0.000 1.050 178 K CA 0.801 56.914 56.287 -0.289 0.000 0.942 178 K CB -0.547 31.744 32.500 -0.350 0.000 0.724 178 K HN 0.405 nan 8.250 nan 0.000 0.446 179 I N 0.722 121.153 120.570 -0.231 0.000 2.286 179 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 179 I C 2.344 178.305 176.117 -0.261 0.000 1.104 179 I CA 0.963 62.091 61.300 -0.288 0.000 1.397 179 I CB -0.321 37.573 38.000 -0.177 0.000 1.072 179 I HN 0.011 nan 8.210 nan 0.000 0.417 180 A N 0.344 123.032 122.820 -0.219 0.000 1.933 180 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 180 A C 2.289 179.741 177.584 -0.221 0.000 1.175 180 A CA 1.840 53.740 52.037 -0.227 0.000 0.628 180 A CB -0.631 18.267 19.000 -0.170 0.000 0.814 180 A HN 0.506 nan 8.150 nan 0.000 0.444 181 E N -1.358 118.737 120.200 -0.175 0.000 2.058 181 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 181 E C 1.862 178.409 176.600 -0.088 0.000 0.997 181 E CA 1.708 58.033 56.400 -0.124 0.000 0.801 181 E CB -0.386 29.252 29.700 -0.104 0.000 0.746 181 E HN 0.704 nan 8.360 nan 0.000 0.450 182 Y N 0.895 121.016 120.300 -0.298 0.000 2.145 182 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 182 Y C 2.084 177.883 175.900 -0.169 0.000 1.145 182 Y CA 2.006 59.932 58.100 -0.289 0.000 1.148 182 Y CB -0.388 37.668 38.460 -0.673 0.000 0.981 182 Y HN 0.036 nan 8.280 nan 0.000 0.507 183 M N 0.115 119.418 119.600 -0.496 0.000 2.175 183 M HA -0.206 4.274 4.480 -0.000 0.000 0.264 183 M C 1.684 177.837 176.300 -0.246 0.000 1.063 183 M CA 1.519 56.488 55.300 -0.551 0.000 1.119 183 M CB -0.359 31.790 32.600 -0.753 0.000 1.377 183 M HN 0.239 nan 8.290 nan 0.000 0.415 184 N N -0.471 118.069 118.700 -0.266 0.000 2.270 184 N HA -0.158 4.582 4.740 -0.000 0.000 0.181 184 N C 1.549 176.988 175.510 -0.119 0.000 1.016 184 N CA 1.160 54.015 53.050 -0.324 0.000 0.870 184 N CB -0.510 37.577 38.487 -0.667 0.000 0.979 184 N HN 0.437 nan 8.380 nan 0.000 0.431 185 H N 1.017 120.005 119.070 -0.138 0.000 2.353 185 H HA 0.065 4.620 4.556 -0.000 0.000 0.300 185 H C 1.989 177.310 175.328 -0.012 0.000 1.090 185 H CA 1.423 57.447 56.048 -0.040 0.000 1.327 185 H CB -0.264 29.491 29.762 -0.013 0.000 1.383 185 H HN 0.087 nan 8.280 nan 0.000 0.508 186 L N -0.495 120.673 121.223 -0.092 0.000 2.056 186 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 186 L C 2.543 179.389 176.870 -0.040 0.000 1.078 186 L CA 1.083 55.879 54.840 -0.073 0.000 0.749 186 L CB -0.335 41.691 42.059 -0.056 0.000 0.901 186 L HN 0.308 nan 8.230 nan 0.000 0.433 187 I N 0.055 120.628 120.570 0.004 0.000 2.226 187 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 187 I C 1.968 178.106 176.117 0.036 0.000 1.100 187 I CA 1.247 62.548 61.300 0.001 0.000 1.374 187 I CB -0.337 37.687 38.000 0.040 0.000 1.057 187 I HN 0.278 nan 8.210 nan 0.000 0.413 188 D N 0.718 121.150 120.400 0.053 0.000 2.219 188 D HA -0.084 4.556 4.640 -0.000 0.000 0.205 188 D C 2.186 178.535 176.300 0.081 0.000 0.970 188 D CA 1.086 55.147 54.000 0.101 0.000 0.851 188 D CB -0.075 40.798 40.800 0.121 0.000 0.943 188 D HN 0.357 nan 8.370 nan 0.000 0.488 189 I N -0.365 120.202 120.570 -0.005 0.000 2.394 189 I HA -0.073 4.097 4.170 -0.000 0.000 0.251 189 I C 1.623 177.788 176.117 0.080 0.000 1.136 189 I CA 1.213 62.515 61.300 0.004 0.000 1.425 189 I CB 0.147 38.111 38.000 -0.061 0.000 1.079 189 I HN 0.164 nan 8.210 nan 0.000 0.425 190 G N 0.525 109.357 108.800 0.053 0.000 2.321 190 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.174 190 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.174 190 G C 0.289 175.121 174.900 -0.114 0.000 1.008 190 G CA -0.057 45.073 45.100 0.050 0.000 0.739 190 G HN 0.196 nan 8.290 nan 0.000 0.502 191 V N -0.684 119.111 119.914 -0.199 0.000 2.843 191 V HA 0.735 4.855 4.120 -0.000 0.000 0.305 191 V C 1.282 177.124 176.094 -0.420 0.000 1.065 191 V CA 0.898 62.988 62.300 -0.350 0.000 1.116 191 V CB 1.469 33.042 31.823 -0.416 0.000 0.968 191 V HN 1.296 nan 8.190 nan 0.000 0.487 192 A N 2.780 125.296 122.820 -0.507 0.000 2.220 192 A HA 0.756 5.075 4.320 -0.000 0.000 0.211 192 A C 1.151 178.588 177.584 -0.244 0.000 1.176 192 A CA 0.668 52.421 52.037 -0.473 0.000 0.834 192 A CB -0.479 18.321 19.000 -0.334 0.000 0.868 192 A HN 2.013 nan 8.150 nan 0.000 0.488 193 G N -1.960 106.641 108.800 -0.332 0.000 2.342 193 G HA2 0.492 4.452 3.960 -0.000 0.000 0.297 193 G HA3 0.492 4.452 3.960 -0.000 0.000 0.297 193 G C -1.601 173.001 174.900 -0.498 0.000 1.313 193 G CA -0.694 44.363 45.100 -0.070 0.000 0.830 193 G HN 0.164 nan 8.290 nan 0.000 0.506 194 F N -0.467 119.493 119.950 0.016 0.000 2.601 194 F HA 0.690 5.217 4.527 -0.000 0.000 0.309 194 F C 0.250 175.698 175.800 -0.587 0.000 1.089 194 F CA -0.884 57.012 58.000 -0.175 0.000 0.940 194 F CB 2.558 41.451 39.000 -0.178 0.000 1.273 194 F HN 0.465 nan 8.300 nan 0.000 0.450 195 R N 3.306 123.538 120.500 -0.447 0.000 2.229 195 R HA 0.538 4.878 4.340 -0.000 0.000 0.332 195 R C -1.604 174.537 176.300 -0.265 0.000 0.989 195 R CA -0.398 55.193 56.100 -0.847 0.000 0.842 195 R CB 0.472 30.447 30.300 -0.542 0.000 1.119 195 R HN 0.796 nan 8.270 nan 0.000 0.456 196 L N 4.654 125.743 121.223 -0.224 0.000 2.295 196 L HA 0.176 4.516 4.340 -0.000 0.000 0.288 196 L C 0.177 177.048 176.870 0.001 0.000 1.079 196 L CA -0.541 54.255 54.840 -0.072 0.000 0.830 196 L CB 0.813 42.831 42.059 -0.069 0.000 1.200 196 L HN 0.649 nan 8.230 nan 0.000 0.438 197 D N 3.503 123.951 120.400 0.080 0.000 2.414 197 D HA 0.261 4.901 4.640 -0.000 0.000 0.242 197 D C 0.895 177.292 176.300 0.161 0.000 1.129 197 D CA 0.571 54.669 54.000 0.164 0.000 0.885 197 D CB 0.967 41.938 40.800 0.284 0.000 1.198 197 D HN 0.727 nan 8.370 nan 0.000 0.437 198 A N 2.718 125.647 122.820 0.180 0.000 2.704 198 A HA -0.247 4.073 4.320 -0.000 0.000 0.299 198 A C 1.800 179.469 177.584 0.142 0.000 1.507 198 A CA 1.212 53.392 52.037 0.239 0.000 0.776 198 A CB -2.045 17.163 19.000 0.348 0.000 1.027 198 A HN 0.452 nan 8.150 nan 0.000 0.475 199 S N -0.640 115.062 115.700 0.003 0.000 2.419 199 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 199 S C 1.823 176.293 174.600 -0.218 0.000 1.016 199 S CA 1.484 59.625 58.200 -0.098 0.000 0.974 199 S CB -0.136 62.935 63.200 -0.214 0.000 0.786 199 S HN 0.870 nan 8.310 nan 0.000 0.492 200 K N 0.801 121.013 120.400 -0.313 0.000 2.152 200 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 200 K C 1.154 177.523 176.600 -0.385 0.000 1.048 200 K CA 1.209 57.267 56.287 -0.382 0.000 0.933 200 K CB -0.134 32.102 32.500 -0.440 0.000 0.721 200 K HN 0.456 nan 8.250 nan 0.000 0.447 201 H N -0.423 118.613 119.070 -0.058 0.000 2.533 201 H HA 0.159 4.714 4.556 -0.000 0.000 0.271 201 H C 0.062 175.329 175.328 -0.102 0.000 1.000 201 H CA 0.422 56.416 56.048 -0.089 0.000 1.149 201 H CB 0.028 29.770 29.762 -0.033 0.000 1.375 201 H HN 0.194 nan 8.280 nan 0.000 0.582 202 M N -0.323 119.279 119.600 0.005 0.000 2.535 202 M HA 0.195 4.674 4.480 -0.000 0.000 0.314 202 M C -0.976 175.342 176.300 0.031 0.000 1.153 202 M CA -0.843 54.483 55.300 0.043 0.000 0.924 202 M CB 2.331 35.011 32.600 0.133 0.000 1.710 202 M HN -0.016 nan 8.290 nan 0.000 0.451 203 W N 2.322 123.675 121.300 0.088 0.000 2.216 203 W HA 0.235 4.895 4.660 -0.000 0.000 0.326 203 W C -1.772 174.730 176.519 -0.027 0.000 1.319 203 W CA -0.959 56.394 57.345 0.012 0.000 1.213 203 W CB -0.200 29.253 29.460 -0.013 0.000 1.171 203 W HN 0.494 nan 8.180 nan 0.000 0.557 204 P HA -0.229 nan 4.420 nan 0.000 0.217 204 P C 1.709 179.026 177.300 0.027 0.000 1.151 204 P CA 2.566 65.580 63.100 -0.143 0.000 0.849 204 P CB 0.092 31.547 31.700 -0.408 0.000 0.787 205 G N -0.744 108.095 108.800 0.066 0.000 2.422 205 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 205 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 205 G C 1.240 176.174 174.900 0.056 0.000 1.140 205 G CA 0.692 45.817 45.100 0.042 0.000 0.775 205 G HN 0.184 nan 8.290 nan 0.000 0.545 206 D N 0.606 121.074 120.400 0.113 0.000 2.144 206 D HA -0.031 4.609 4.640 -0.000 0.000 0.200 206 D C 2.551 178.891 176.300 0.066 0.000 0.978 206 D CA 0.332 54.389 54.000 0.094 0.000 0.833 206 D CB -0.074 40.820 40.800 0.157 0.000 0.961 206 D HN 0.351 nan 8.370 nan 0.000 0.470 207 I N 0.694 121.317 120.570 0.088 0.000 2.179 207 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 207 I C 2.350 178.480 176.117 0.022 0.000 1.088 207 I CA 1.008 62.343 61.300 0.059 0.000 1.357 207 I CB -0.106 37.962 38.000 0.112 0.000 1.051 207 I HN -0.082 nan 8.210 nan 0.000 0.409 208 K N 1.584 122.003 120.400 0.031 0.000 2.063 208 K HA -0.165 4.155 4.320 -0.000 0.000 0.208 208 K C 2.069 178.667 176.600 -0.005 0.000 1.048 208 K CA 1.701 57.995 56.287 0.011 0.000 0.928 208 K CB -0.301 32.209 32.500 0.017 0.000 0.713 208 K HN 0.284 nan 8.250 nan 0.000 0.442 209 A N 0.535 123.355 122.820 -0.001 0.000 1.972 209 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 209 A C 2.155 179.723 177.584 -0.027 0.000 1.169 209 A CA 1.598 53.629 52.037 -0.010 0.000 0.635 209 A CB -0.593 18.404 19.000 -0.005 0.000 0.810 209 A HN 0.380 nan 8.150 nan 0.000 0.446 210 I N -0.510 120.037 120.570 -0.038 0.000 2.233 210 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 210 I C 2.234 178.296 176.117 -0.091 0.000 1.093 210 I CA 0.872 62.128 61.300 -0.074 0.000 1.380 210 I CB -0.315 37.630 38.000 -0.092 0.000 1.067 210 I HN 0.274 nan 8.210 nan 0.000 0.413 211 L N 0.361 121.538 121.223 -0.078 0.000 2.131 211 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 211 L C 1.850 178.688 176.870 -0.052 0.000 1.092 211 L CA 1.129 55.922 54.840 -0.079 0.000 0.759 211 L CB -0.743 41.278 42.059 -0.062 0.000 0.903 211 L HN 0.271 nan 8.230 nan 0.000 0.435 212 D N 0.302 120.681 120.400 -0.035 0.000 2.310 212 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 212 D C 1.837 178.130 176.300 -0.013 0.000 0.965 212 D CA 1.023 55.012 54.000 -0.018 0.000 0.879 212 D CB 0.056 40.849 40.800 -0.010 0.000 0.921 212 D HN 0.323 nan 8.370 nan 0.000 0.510 213 K N -0.312 120.069 120.400 -0.031 0.000 2.404 213 K HA 0.075 4.394 4.320 -0.000 0.000 0.194 213 K C 0.059 176.641 176.600 -0.031 0.000 1.023 213 K CA -0.314 55.957 56.287 -0.026 0.000 1.094 213 K CB 0.607 33.075 32.500 -0.054 0.000 0.841 213 K HN -0.044 nan 8.250 nan 0.000 0.523 214 L N 1.332 122.529 121.223 -0.043 0.000 2.371 214 L HA 0.138 4.478 4.340 -0.000 0.000 0.272 214 L C 0.422 177.337 176.870 0.076 0.000 1.124 214 L CA 0.006 54.814 54.840 -0.054 0.000 0.816 214 L CB 0.449 42.465 42.059 -0.071 0.000 1.129 214 L HN 0.151 nan 8.230 nan 0.000 0.448 215 H N 1.340 120.400 119.070 -0.017 0.000 2.660 215 H HA 0.165 4.721 4.556 0.000 0.000 0.374 215 H C 0.001 175.320 175.328 -0.014 0.000 1.291 215 H CA -0.560 55.483 56.048 -0.009 0.000 1.437 215 H CB 0.672 30.433 29.762 -0.000 0.000 1.509 215 H HN 0.600 nan 8.280 nan 0.000 0.614 216 N N 0.200 118.970 118.700 0.117 0.000 2.424 216 N HA 0.113 4.853 4.740 -0.000 0.000 0.257 216 N C -0.329 175.196 175.510 0.025 0.000 1.250 216 N CA -0.650 52.424 53.050 0.040 0.000 0.946 216 N CB 0.819 39.320 38.487 0.023 0.000 1.175 216 N HN 0.193 nan 8.380 nan 0.000 0.477 217 L N 1.143 122.323 121.223 -0.071 0.000 2.483 217 L HA -0.019 4.321 4.340 -0.000 0.000 0.275 217 L C 0.816 177.725 176.870 0.064 0.000 1.220 217 L CA 0.011 54.745 54.840 -0.177 0.000 0.833 217 L CB -0.069 41.566 42.059 -0.708 0.000 1.102 217 L HN 0.599 nan 8.230 nan 0.000 0.490 218 N N 0.144 118.958 118.700 0.190 0.000 2.374 218 N HA -0.094 4.646 4.740 -0.000 0.000 0.269 218 N C 1.098 176.804 175.510 0.326 0.000 1.310 218 N CA 0.236 53.460 53.050 0.290 0.000 0.877 218 N CB 0.620 39.361 38.487 0.424 0.000 1.096 218 N HN 0.632 nan 8.380 nan 0.000 0.484 219 S N 2.503 118.294 115.700 0.152 0.000 2.537 219 S HA -0.084 4.386 4.470 -0.000 0.000 0.240 219 S C 1.129 175.735 174.600 0.009 0.000 0.981 219 S CA 0.379 58.636 58.200 0.097 0.000 0.948 219 S CB -0.073 63.147 63.200 0.033 0.000 0.759 219 S HN 0.628 nan 8.310 nan 0.000 0.531 220 N N -0.074 118.578 118.700 -0.081 0.000 2.446 220 N HA 0.052 4.792 4.740 -0.000 0.000 0.179 220 N C 0.520 175.754 175.510 -0.460 0.000 1.054 220 N CA 0.808 53.639 53.050 -0.366 0.000 0.905 220 N CB -0.023 38.054 38.487 -0.684 0.000 0.973 220 N HN 0.628 nan 8.380 nan 0.000 0.448 221 W N -0.669 120.589 121.300 -0.070 0.000 2.782 221 W HA 0.288 4.948 4.660 0.000 0.000 0.268 221 W C -0.298 175.914 176.519 -0.511 0.000 1.043 221 W CA -0.171 56.976 57.345 -0.330 0.000 1.387 221 W CB 0.219 29.363 29.460 -0.527 0.000 0.904 221 W HN -0.192 nan 8.180 nan 0.000 0.625 222 F N 1.983 122.039 119.950 0.178 0.000 2.538 222 F HA 0.491 5.018 4.527 -0.000 0.000 0.325 222 F C -1.692 174.140 175.800 0.053 0.000 1.066 222 F CA -2.692 55.367 58.000 0.099 0.000 0.946 222 F CB 0.248 39.298 39.000 0.083 0.000 1.199 222 F HN -0.423 nan 8.300 nan 0.000 0.473 223 P HA 0.162 nan 4.420 nan 0.000 0.272 223 P C -0.766 176.603 177.300 0.115 0.000 1.223 223 P CA -0.286 62.888 63.100 0.122 0.000 0.784 223 P CB 0.707 32.464 31.700 0.095 0.000 0.923 224 A N 1.779 124.642 122.820 0.071 0.000 2.561 224 A HA 0.362 4.682 4.320 -0.000 0.000 0.234 224 A C 1.506 179.119 177.584 0.048 0.000 1.055 224 A CA 0.801 52.869 52.037 0.052 0.000 0.756 224 A CB -1.478 17.540 19.000 0.030 0.000 0.986 224 A HN 0.971 nan 8.150 nan 0.000 0.505 225 G N 1.576 110.399 108.800 0.038 0.000 2.143 225 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.248 225 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.248 225 G C 0.378 175.297 174.900 0.031 0.000 0.991 225 G CA 0.392 45.510 45.100 0.030 0.000 0.689 225 G HN 1.208 nan 8.290 nan 0.000 0.522 226 S N 0.645 116.367 115.700 0.037 0.000 2.505 226 S HA 0.468 4.938 4.470 -0.000 0.000 0.276 226 S C 0.498 175.081 174.600 -0.028 0.000 1.274 226 S CA -0.057 58.153 58.200 0.016 0.000 1.053 226 S CB 1.150 64.370 63.200 0.033 0.000 0.919 226 S HN 0.449 nan 8.310 nan 0.000 0.490 227 K N 3.692 124.079 120.400 -0.021 0.000 2.156 227 K HA 0.410 4.730 4.320 -0.000 0.000 0.254 227 K C -2.553 174.031 176.600 -0.026 0.000 0.950 227 K CA -2.296 53.978 56.287 -0.022 0.000 0.849 227 K CB 0.909 33.401 32.500 -0.012 0.000 1.100 227 K HN 0.339 nan 8.250 nan 0.000 0.434 228 P HA -0.099 nan 4.420 nan 0.000 0.265 228 P C -0.619 176.757 177.300 0.126 0.000 1.193 228 P CA -0.050 63.070 63.100 0.034 0.000 0.765 228 P CB 0.294 32.070 31.700 0.126 0.000 0.823 229 F N 5.033 124.992 119.950 0.015 0.000 2.504 229 F HA 0.228 4.755 4.527 0.000 0.000 0.369 229 F C -0.209 175.649 175.800 0.096 0.000 1.082 229 F CA -0.520 57.500 58.000 0.034 0.000 1.216 229 F CB 0.000 39.040 39.000 0.066 0.000 1.108 229 F HN 0.117 nan 8.300 nan 0.000 0.554 230 I N 8.633 128.951 120.570 -0.421 0.000 2.418 230 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 230 I C -1.154 174.672 176.117 -0.484 0.000 1.008 230 I CA -0.802 60.273 61.300 -0.374 0.000 1.104 230 I CB 1.082 38.979 38.000 -0.171 0.000 1.264 230 I HN 0.558 nan 8.210 nan 0.000 0.438 231 Y N 3.289 123.268 120.300 -0.535 0.000 2.361 231 Y HA 0.706 5.256 4.550 -0.000 0.000 0.337 231 Y C -0.554 175.265 175.900 -0.134 0.000 0.965 231 Y CA -1.226 56.661 58.100 -0.354 0.000 1.091 231 Y CB 0.917 39.149 38.460 -0.380 0.000 1.182 231 Y HN 0.487 nan 8.280 nan 0.000 0.450 232 Q N 3.035 122.862 119.800 0.044 0.000 2.278 232 Q HA 0.255 4.595 4.340 -0.000 0.000 0.257 232 Q C -0.693 175.336 176.000 0.048 0.000 0.928 232 Q CA -0.789 55.010 55.803 -0.006 0.000 0.932 232 Q CB 1.583 30.300 28.738 -0.035 0.000 1.221 232 Q HN 0.546 nan 8.270 nan 0.000 0.434 233 E N 2.695 122.925 120.200 0.051 0.000 1.944 233 E HA 0.123 4.473 4.350 -0.000 0.000 0.272 233 E C -0.973 175.654 176.600 0.045 0.000 1.195 233 E CA -0.022 56.472 56.400 0.156 0.000 0.926 233 E CB 0.540 30.340 29.700 0.167 0.000 1.051 233 E HN 0.249 nan 8.360 nan 0.000 0.404 234 V N 5.356 125.312 119.914 0.070 0.000 2.443 234 V HA 0.317 4.437 4.120 -0.000 0.000 0.293 234 V C 0.273 176.384 176.094 0.029 0.000 1.021 234 V CA -0.648 61.597 62.300 -0.092 0.000 0.848 234 V CB 1.516 33.185 31.823 -0.257 0.000 0.998 234 V HN 0.498 nan 8.190 nan 0.000 0.424 235 I N 4.255 124.735 120.570 -0.150 0.000 2.294 235 I HA 0.300 4.470 4.170 -0.000 0.000 0.295 235 I C -0.380 175.670 176.117 -0.112 0.000 1.098 235 I CA 0.236 61.372 61.300 -0.273 0.000 1.277 235 I CB 0.628 38.307 38.000 -0.536 0.000 1.434 235 I HN 0.576 nan 8.210 nan 0.000 0.498 236 D N 7.656 128.060 120.400 0.007 0.000 2.420 236 D HA 0.286 4.926 4.640 -0.000 0.000 0.255 236 D C 0.117 176.443 176.300 0.044 0.000 1.185 236 D CA -0.341 53.670 54.000 0.018 0.000 0.904 236 D CB 1.025 41.852 40.800 0.045 0.000 1.102 236 D HN 0.401 nan 8.370 nan 0.000 0.534 237 L N 2.696 123.929 121.223 0.017 0.000 2.700 237 L HA 0.465 4.805 4.340 -0.000 0.000 0.234 237 L C 1.140 178.033 176.870 0.037 0.000 1.156 237 L CA -0.032 54.831 54.840 0.039 0.000 0.946 237 L CB -0.343 41.728 42.059 0.020 0.000 1.216 237 L HN 0.622 nan 8.230 nan 0.000 0.493 238 G N -0.469 108.349 108.800 0.029 0.000 2.730 238 G HA2 0.092 4.052 3.960 -0.000 0.000 0.686 238 G HA3 0.092 4.052 3.960 -0.000 0.000 0.686 238 G C 0.570 175.477 174.900 0.011 0.000 1.343 238 G CA -0.374 44.741 45.100 0.025 0.000 0.826 238 G HN 0.524 nan 8.290 nan 0.000 0.582 239 G N -0.823 107.983 108.800 0.010 0.000 2.176 239 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.253 239 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.253 239 G C 0.240 175.146 174.900 0.010 0.000 0.979 239 G CA 1.596 46.700 45.100 0.006 0.000 0.641 239 G HN 1.203 nan 8.290 nan 0.000 0.530 240 E N -0.041 120.166 120.200 0.013 0.000 2.263 240 E HA 0.447 4.797 4.350 -0.000 0.000 0.264 240 E C -1.321 175.291 176.600 0.022 0.000 0.923 240 E CA -1.612 54.803 56.400 0.025 0.000 0.802 240 E CB 2.133 31.852 29.700 0.032 0.000 1.228 240 E HN 0.055 nan 8.360 nan 0.000 0.417 241 P HA -0.032 nan 4.420 nan 0.000 0.223 241 P C 0.237 177.543 177.300 0.009 0.000 1.151 241 P CA 0.962 64.071 63.100 0.015 0.000 0.787 241 P CB 0.477 32.186 31.700 0.015 0.000 0.788 242 I N 0.632 121.208 120.570 0.010 0.000 2.342 242 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 242 I C 0.535 176.672 176.117 0.032 0.000 1.010 242 I CA -0.482 60.828 61.300 0.017 0.000 1.308 242 I CB 0.938 38.941 38.000 0.005 0.000 1.400 242 I HN -0.229 nan 8.210 nan 0.000 0.488 243 K N 3.669 124.092 120.400 0.038 0.000 2.259 243 K HA 0.299 4.618 4.320 -0.000 0.000 0.252 243 K C 0.827 177.463 176.600 0.059 0.000 0.936 243 K CA -0.564 55.736 56.287 0.021 0.000 0.810 243 K CB 1.882 34.366 32.500 -0.026 0.000 1.143 243 K HN 0.635 nan 8.250 nan 0.000 0.427 244 S N -0.108 115.617 115.700 0.042 0.000 2.442 244 S HA -0.190 4.280 4.470 -0.000 0.000 0.236 244 S C 1.783 176.280 174.600 -0.173 0.000 1.007 244 S CA 1.403 59.649 58.200 0.077 0.000 0.965 244 S CB -0.428 62.842 63.200 0.117 0.000 0.773 244 S HN 0.667 nan 8.310 nan 0.000 0.504 245 S N 2.156 117.537 115.700 -0.532 0.000 2.442 245 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 245 S C 1.180 175.300 174.600 -0.801 0.000 1.007 245 S CA 0.996 58.335 58.200 -1.435 0.000 0.965 245 S CB -0.571 62.147 63.200 -0.804 0.000 0.773 245 S HN 0.453 nan 8.310 nan 0.000 0.504 246 D N 0.559 120.766 120.400 -0.323 0.000 2.310 246 D HA -0.029 4.611 4.640 -0.000 0.000 0.212 246 D C 0.558 176.673 176.300 -0.309 0.000 0.965 246 D CA 0.916 54.755 54.000 -0.269 0.000 0.879 246 D CB -0.251 40.379 40.800 -0.284 0.000 0.921 246 D HN 0.618 nan 8.370 nan 0.000 0.510 247 Y N -0.970 119.267 120.300 -0.104 0.000 2.458 247 Y HA 0.118 4.668 4.550 -0.000 0.000 0.256 247 Y C 1.471 177.517 175.900 0.244 0.000 1.159 247 Y CA -0.460 57.677 58.100 0.061 0.000 1.261 247 Y CB -0.021 38.483 38.460 0.073 0.000 1.119 247 Y HN -0.180 nan 8.280 nan 0.000 0.524 248 F N -0.043 120.033 119.950 0.210 0.000 2.250 248 F HA -0.108 4.419 4.527 0.000 0.000 0.301 248 F C 2.306 178.266 175.800 0.267 0.000 1.077 248 F CA 1.083 59.208 58.000 0.209 0.000 1.348 248 F CB -1.251 37.823 39.000 0.123 0.000 1.040 248 F HN 0.119 nan 8.300 nan 0.000 0.509 249 G N -0.658 108.363 108.800 0.370 0.000 2.598 249 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 249 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 249 G C 1.496 176.520 174.900 0.207 0.000 1.131 249 G CA 0.461 45.730 45.100 0.281 0.000 0.785 249 G HN 0.274 nan 8.290 nan 0.000 0.539 250 N N 0.226 119.042 118.700 0.194 0.000 2.388 250 N HA 0.244 4.984 4.740 -0.000 0.000 0.176 250 N C 1.118 176.605 175.510 -0.038 0.000 1.062 250 N CA 0.979 54.072 53.050 0.073 0.000 0.895 250 N CB 1.193 39.748 38.487 0.114 0.000 1.018 250 N HN 0.434 nan 8.380 nan 0.000 0.456 251 G N -0.169 108.683 108.800 0.087 0.000 2.368 251 G HA2 0.096 4.056 3.960 -0.000 0.000 0.269 251 G HA3 0.096 4.056 3.960 -0.000 0.000 0.269 251 G C -1.310 173.770 174.900 0.300 0.000 1.291 251 G CA -0.908 44.183 45.100 -0.014 0.000 0.903 251 G HN -0.043 nan 8.290 nan 0.000 0.483 252 R N -0.934 119.680 120.500 0.188 0.000 2.649 252 R HA 0.609 4.948 4.340 -0.000 0.000 0.270 252 R C 0.049 176.461 176.300 0.186 0.000 1.105 252 R CA 0.059 56.272 56.100 0.187 0.000 1.193 252 R CB 1.191 31.568 30.300 0.127 0.000 1.120 252 R HN 1.082 nan 8.270 nan 0.000 0.561 253 V N -2.768 117.268 119.914 0.204 0.000 2.962 253 V HA 0.426 4.546 4.120 -0.000 0.000 0.313 253 V C 0.000 176.207 176.094 0.187 0.000 1.099 253 V CA -1.134 61.293 62.300 0.210 0.000 0.971 253 V CB 1.809 33.800 31.823 0.280 0.000 1.028 253 V HN 0.916 nan 8.190 nan 0.000 0.430 254 T N -0.202 114.483 114.554 0.219 0.000 2.870 254 T HA 0.438 4.788 4.350 -0.000 0.000 0.300 254 T C -0.102 174.687 174.700 0.149 0.000 0.989 254 T CA 0.012 62.245 62.100 0.222 0.000 1.139 254 T CB 0.994 70.054 68.868 0.320 0.000 0.920 254 T HN 1.024 nan 8.240 nan 0.000 0.537 255 E N 2.428 122.593 120.200 -0.058 0.000 2.079 255 E HA 0.309 4.659 4.350 -0.000 0.000 0.252 255 E C -0.386 175.999 176.600 -0.358 0.000 0.992 255 E CA -1.114 55.206 56.400 -0.135 0.000 0.829 255 E CB -0.592 29.012 29.700 -0.161 0.000 1.158 255 E HN 0.667 nan 8.360 nan 0.000 0.435 256 F N 2.381 122.239 119.950 -0.153 0.000 2.502 256 F HA 0.014 4.541 4.527 0.000 0.000 0.298 256 F C 1.691 177.373 175.800 -0.197 0.000 1.111 256 F CA 0.752 58.656 58.000 -0.161 0.000 1.445 256 F CB 0.168 39.175 39.000 0.013 0.000 1.081 256 F HN 0.374 nan 8.300 nan 0.000 0.558 257 K N -1.015 119.319 120.400 -0.109 0.000 2.211 257 K HA -0.204 4.116 4.320 -0.000 0.000 0.203 257 K C 1.763 178.147 176.600 -0.361 0.000 1.050 257 K CA 1.089 57.287 56.287 -0.150 0.000 0.945 257 K CB -0.410 32.024 32.500 -0.110 0.000 0.732 257 K HN 0.233 nan 8.250 nan 0.000 0.451 258 Y N 1.514 121.296 120.300 -0.863 0.000 2.030 258 Y HA -0.272 4.278 4.550 -0.000 0.000 0.274 258 Y C 2.440 178.199 175.900 -0.234 0.000 1.153 258 Y CA 2.094 59.730 58.100 -0.774 0.000 1.115 258 Y CB -0.841 37.164 38.460 -0.757 0.000 0.969 258 Y HN 0.058 nan 8.280 nan 0.000 0.488 259 G N -0.721 108.045 108.800 -0.056 0.000 2.422 259 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 259 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 259 G C 1.779 176.675 174.900 -0.006 0.000 1.146 259 G CA 1.031 46.120 45.100 -0.018 0.000 0.769 259 G HN 0.647 nan 8.290 nan 0.000 0.547 260 A N 0.572 123.403 122.820 0.018 0.000 1.902 260 A HA 0.020 4.340 4.320 -0.000 0.000 0.217 260 A C 2.387 180.006 177.584 0.058 0.000 1.181 260 A CA 1.894 53.965 52.037 0.057 0.000 0.623 260 A CB -0.230 18.827 19.000 0.096 0.000 0.818 260 A HN 0.205 nan 8.150 nan 0.000 0.443 261 K N -0.760 119.704 120.400 0.107 0.000 2.103 261 K HA 0.025 4.345 4.320 -0.000 0.000 0.204 261 K C 1.821 178.426 176.600 0.008 0.000 1.052 261 K CA 0.793 57.196 56.287 0.193 0.000 0.945 261 K CB -0.796 31.968 32.500 0.441 0.000 0.722 261 K HN 0.413 nan 8.250 nan 0.000 0.443 262 L N 0.881 122.038 121.223 -0.111 0.000 2.093 262 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 262 L C 2.012 178.674 176.870 -0.347 0.000 1.085 262 L CA 1.894 56.464 54.840 -0.451 0.000 0.755 262 L CB -0.989 40.775 42.059 -0.493 0.000 0.904 262 L HN 0.223 nan 8.230 nan 0.000 0.435 263 G N -1.785 106.885 108.800 -0.217 0.000 2.418 263 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 263 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 263 G C 1.551 176.231 174.900 -0.367 0.000 1.158 263 G CA 1.292 46.240 45.100 -0.254 0.000 0.771 263 G HN 0.500 nan 8.290 nan 0.000 0.545 264 T N -1.055 113.353 114.554 -0.243 0.000 2.857 264 T HA -0.035 4.315 4.350 -0.000 0.000 0.266 264 T C 2.303 176.907 174.700 -0.160 0.000 1.048 264 T CA 1.388 63.368 62.100 -0.199 0.000 1.139 264 T CB -0.371 68.552 68.868 0.092 0.000 0.874 264 T HN 0.000 nan 8.240 nan 0.000 0.455 265 V N 1.502 121.325 119.914 -0.152 0.000 2.295 265 V HA -0.039 4.081 4.120 -0.000 0.000 0.246 265 V C 2.733 178.661 176.094 -0.277 0.000 1.049 265 V CA 1.671 63.868 62.300 -0.172 0.000 1.024 265 V CB -0.576 31.078 31.823 -0.282 0.000 0.648 265 V HN 0.502 nan 8.190 nan 0.000 0.447 266 I N -0.561 119.789 120.570 -0.368 0.000 2.394 266 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 266 I C 2.503 178.439 176.117 -0.302 0.000 1.136 266 I CA 1.325 62.409 61.300 -0.360 0.000 1.425 266 I CB -0.298 37.473 38.000 -0.381 0.000 1.079 266 I HN 0.214 nan 8.210 nan 0.000 0.425 267 R N 0.932 121.197 120.500 -0.391 0.000 2.299 267 R HA 0.023 4.363 4.340 -0.000 0.000 0.197 267 R C 0.265 176.443 176.300 -0.204 0.000 0.971 267 R CA 0.125 55.952 56.100 -0.456 0.000 1.030 267 R CB 0.058 29.677 30.300 -1.135 0.000 0.932 267 R HN 0.172 nan 8.270 nan 0.000 0.477 268 K N -0.446 119.878 120.400 -0.128 0.000 3.071 268 K HA -0.162 4.158 4.320 -0.000 0.000 0.265 268 K C -1.121 175.621 176.600 0.236 0.000 1.060 268 K CA 0.348 56.650 56.287 0.024 0.000 0.767 268 K CB -0.961 31.546 32.500 0.011 0.000 1.241 268 K HN 0.151 nan 8.250 nan 0.000 0.486 269 W N 2.477 123.770 121.300 -0.011 0.000 2.266 269 W HA 0.123 4.783 4.660 0.001 0.000 0.317 269 W C 0.791 177.323 176.519 0.022 0.000 1.310 269 W CA -0.177 57.170 57.345 0.004 0.000 1.207 269 W CB -0.282 29.182 29.460 0.007 0.000 1.199 269 W HN 0.412 nan 8.180 nan 0.000 0.544 270 N N 0.589 119.404 118.700 0.192 0.000 2.669 270 N HA -0.190 4.550 4.740 -0.000 0.000 0.266 270 N C 0.694 176.278 175.510 0.123 0.000 1.024 270 N CA 1.480 54.596 53.050 0.109 0.000 0.766 270 N CB -1.438 37.097 38.487 0.080 0.000 0.898 270 N HN 1.029 nan 8.380 nan 0.000 0.548 271 G N -1.890 106.981 108.800 0.118 0.000 2.267 271 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.257 271 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.257 271 G C 0.013 175.017 174.900 0.173 0.000 0.998 271 G CA 0.460 45.639 45.100 0.132 0.000 0.620 271 G HN 0.715 nan 8.290 nan 0.000 0.529 272 E N 1.330 121.640 120.200 0.183 0.000 2.437 272 E HA 0.395 4.745 4.350 -0.000 0.000 0.263 272 E C 0.691 177.284 176.600 -0.011 0.000 1.030 272 E CA 1.003 57.519 56.400 0.193 0.000 0.934 272 E CB 0.664 30.470 29.700 0.177 0.000 0.943 272 E HN 0.852 nan 8.360 nan 0.000 0.444 273 K N 0.626 120.920 120.400 -0.177 0.000 2.562 273 K HA 0.313 4.633 4.320 -0.000 0.000 0.267 273 K C 0.521 176.930 176.600 -0.319 0.000 0.938 273 K CA -0.734 55.353 56.287 -0.334 0.000 0.840 273 K CB 0.834 33.038 32.500 -0.494 0.000 1.390 273 K HN 0.170 nan 8.250 nan 0.000 0.428 274 M N 1.194 120.622 119.600 -0.287 0.000 2.267 274 M HA -0.179 4.301 4.480 -0.000 0.000 0.263 274 M C 1.749 178.006 176.300 -0.071 0.000 1.063 274 M CA 2.192 57.325 55.300 -0.278 0.000 1.090 274 M CB -0.420 31.968 32.600 -0.353 0.000 1.392 274 M HN 0.876 nan 8.290 nan 0.000 0.422 275 S N -0.386 115.262 115.700 -0.087 0.000 2.442 275 S HA -0.155 4.315 4.470 -0.000 0.000 0.236 275 S C 1.463 176.240 174.600 0.295 0.000 1.007 275 S CA 0.837 59.122 58.200 0.142 0.000 0.965 275 S CB -0.691 62.508 63.200 -0.001 0.000 0.773 275 S HN 0.449 nan 8.310 nan 0.000 0.504 276 Y N 1.651 122.048 120.300 0.162 0.000 2.561 276 Y HA 0.327 4.877 4.550 -0.000 0.000 0.291 276 Y C 1.740 177.817 175.900 0.295 0.000 1.141 276 Y CA -0.742 57.474 58.100 0.194 0.000 1.303 276 Y CB -0.768 37.823 38.460 0.219 0.000 1.015 276 Y HN 0.288 nan 8.280 nan 0.000 0.547 277 L N 0.007 121.390 121.223 0.267 0.000 2.650 277 L HA -0.085 4.255 4.340 -0.000 0.000 0.235 277 L C 2.297 179.071 176.870 -0.160 0.000 1.149 277 L CA 0.524 55.367 54.840 0.004 0.000 0.887 277 L CB -0.375 41.448 42.059 -0.394 0.000 1.021 277 L HN 0.113 nan 8.230 nan 0.000 0.441 278 K N 1.870 122.005 120.400 -0.442 0.000 2.074 278 K HA -0.201 4.118 4.320 -0.000 0.000 0.209 278 K C 1.201 177.488 176.600 -0.522 0.000 1.048 278 K CA 1.839 57.429 56.287 -1.163 0.000 0.926 278 K CB 0.051 32.042 32.500 -0.848 0.000 0.713 278 K HN 0.446 nan 8.250 nan 0.000 0.444 279 N N -0.276 118.333 118.700 -0.151 0.000 2.389 279 N HA -0.076 4.664 4.740 -0.000 0.000 0.260 279 N C -0.548 174.991 175.510 0.048 0.000 1.191 279 N CA -0.502 52.510 53.050 -0.063 0.000 0.885 279 N CB -0.544 37.923 38.487 -0.033 0.000 1.162 279 N HN 0.259 nan 8.380 nan 0.000 0.512 280 W N 1.486 122.581 121.300 -0.343 0.000 2.293 280 W HA 0.295 4.954 4.660 -0.000 0.000 0.342 280 W C 0.507 176.666 176.519 -0.600 0.000 1.274 280 W CA 2.158 59.060 57.345 -0.739 0.000 1.290 280 W CB 0.454 29.427 29.460 -0.811 0.000 1.176 280 W HN 0.461 nan 8.180 nan 0.000 0.570 281 G N 3.773 111.809 108.800 -1.273 0.000 2.301 281 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.194 281 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.194 281 G C 0.268 174.743 174.900 -0.709 0.000 1.266 281 G CA 0.050 44.556 45.100 -0.989 0.000 1.210 281 G HN 0.450 nan 8.290 nan 0.000 0.524 282 E N 0.584 120.649 120.200 -0.226 0.000 2.160 282 E HA 0.025 4.375 4.350 -0.000 0.000 0.195 282 E C 2.503 178.991 176.600 -0.187 0.000 0.991 282 E CA 1.790 58.130 56.400 -0.100 0.000 0.810 282 E CB -0.538 29.180 29.700 0.030 0.000 0.742 282 E HN 0.876 nan 8.360 nan 0.000 0.466 283 G N -0.690 107.999 108.800 -0.185 0.000 2.527 283 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 283 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 283 G C 0.457 175.226 174.900 -0.218 0.000 1.117 283 G CA 0.365 45.376 45.100 -0.148 0.000 0.759 283 G HN 0.264 nan 8.290 nan 0.000 0.556 284 W N -0.551 120.320 121.300 -0.714 0.000 3.132 284 W HA 0.446 5.106 4.660 -0.000 0.000 0.364 284 W C 1.531 177.636 176.519 -0.689 0.000 1.129 284 W CA -0.275 56.564 57.345 -0.842 0.000 1.815 284 W CB 0.316 28.895 29.460 -1.467 0.000 1.099 284 W HN 0.277 nan 8.180 nan 0.000 0.605 285 G N -0.293 108.334 108.800 -0.289 0.000 2.131 285 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.223 285 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.223 285 G C -0.096 174.896 174.900 0.153 0.000 0.990 285 G CA -0.608 44.453 45.100 -0.065 0.000 0.671 285 G HN -0.030 nan 8.290 nan 0.000 0.521 286 F N 0.321 120.216 119.950 -0.092 0.000 2.370 286 F HA 0.640 5.166 4.527 -0.000 0.000 0.319 286 F C 1.403 177.254 175.800 0.086 0.000 1.129 286 F CA -1.432 56.524 58.000 -0.074 0.000 1.109 286 F CB 0.584 39.373 39.000 -0.352 0.000 1.262 286 F HN 0.331 nan 8.300 nan 0.000 0.534 287 V N -0.268 119.881 119.914 0.391 0.000 3.237 287 V HA 0.290 4.410 4.120 -0.000 0.000 0.305 287 V C -2.498 173.768 176.094 0.288 0.000 1.096 287 V CA -1.848 60.672 62.300 0.367 0.000 1.130 287 V CB -0.357 31.719 31.823 0.422 0.000 1.048 287 V HN 0.516 nan 8.190 nan 0.000 0.484 288 P HA 0.052 nan 4.420 nan 0.000 0.265 288 P C 0.993 178.219 177.300 -0.122 0.000 1.187 288 P CA 0.724 63.817 63.100 -0.011 0.000 0.766 288 P CB 0.704 32.306 31.700 -0.164 0.000 0.820 289 S N 2.716 118.316 115.700 -0.167 0.000 2.387 289 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 289 S C 1.301 175.677 174.600 -0.374 0.000 1.035 289 S CA 1.977 59.859 58.200 -0.530 0.000 1.014 289 S CB -0.899 62.078 63.200 -0.372 0.000 0.836 289 S HN 0.627 nan 8.310 nan 0.000 0.466 290 D N -0.378 119.866 120.400 -0.260 0.000 2.371 290 D HA -0.015 4.625 4.640 -0.000 0.000 0.234 290 D C 1.278 177.426 176.300 -0.253 0.000 1.049 290 D CA 0.264 54.127 54.000 -0.228 0.000 0.907 290 D CB -0.215 40.454 40.800 -0.218 0.000 0.891 290 D HN 0.291 nan 8.370 nan 0.000 0.531 291 R N -0.326 119.999 120.500 -0.293 0.000 2.549 291 R HA 0.424 4.764 4.340 -0.000 0.000 0.344 291 R C -0.082 176.156 176.300 -0.103 0.000 0.979 291 R CA -0.196 55.746 56.100 -0.262 0.000 1.140 291 R CB 0.828 30.709 30.300 -0.698 0.000 1.377 291 R HN 0.169 nan 8.270 nan 0.000 0.541 292 A N 1.703 124.436 122.820 -0.144 0.000 2.301 292 A HA 0.548 4.868 4.320 -0.000 0.000 0.312 292 A C -0.576 176.976 177.584 -0.053 0.000 1.182 292 A CA -0.428 51.548 52.037 -0.102 0.000 0.826 292 A CB 0.898 19.746 19.000 -0.253 0.000 1.134 292 A HN 0.113 nan 8.150 nan 0.000 0.501 293 L N 5.181 126.403 121.223 -0.001 0.000 2.316 293 L HA 0.615 4.955 4.340 -0.000 0.000 0.280 293 L C -0.422 176.429 176.870 -0.031 0.000 1.006 293 L CA -0.360 54.495 54.840 0.023 0.000 0.836 293 L CB 0.789 42.851 42.059 0.005 0.000 1.221 293 L HN 0.676 nan 8.230 nan 0.000 0.418 294 V N 3.058 122.873 119.914 -0.165 0.000 2.975 294 V HA 0.848 4.968 4.120 -0.000 0.000 0.318 294 V C -0.634 175.324 176.094 -0.226 0.000 1.077 294 V CA -0.594 61.419 62.300 -0.479 0.000 1.000 294 V CB 1.866 33.096 31.823 -0.988 0.000 1.066 294 V HN 0.721 nan 8.190 nan 0.000 0.452 295 F N -0.998 118.717 119.950 -0.393 0.000 2.770 295 F HA 0.744 5.271 4.527 -0.000 0.000 0.313 295 F C -0.038 175.739 175.800 -0.038 0.000 1.154 295 F CA -0.857 57.026 58.000 -0.195 0.000 0.923 295 F CB 0.660 39.559 39.000 -0.169 0.000 1.301 295 F HN 0.242 nan 8.300 nan 0.000 0.449 296 V N -0.001 120.019 119.914 0.176 0.000 2.426 296 V HA 0.065 4.185 4.120 -0.000 0.000 0.242 296 V C 0.095 176.351 176.094 0.270 0.000 1.036 296 V CA 1.926 64.322 62.300 0.159 0.000 1.044 296 V CB -0.429 31.437 31.823 0.072 0.000 0.688 296 V HN 0.917 nan 8.190 nan 0.000 0.462 297 D N -0.812 119.833 120.400 0.408 0.000 2.570 297 D HA 0.474 5.114 4.640 -0.000 0.000 0.244 297 D C -0.778 175.713 176.300 0.318 0.000 1.178 297 D CA -0.149 54.081 54.000 0.383 0.000 0.881 297 D CB 2.251 43.240 40.800 0.314 0.000 1.453 297 D HN 0.271 nan 8.370 nan 0.000 0.447 298 S N -1.234 114.558 115.700 0.153 0.000 2.667 298 S HA 0.309 4.779 4.470 -0.000 0.000 0.292 298 S C 1.324 175.826 174.600 -0.164 0.000 1.126 298 S CA -0.625 57.521 58.200 -0.090 0.000 0.881 298 S CB 1.206 64.222 63.200 -0.306 0.000 1.132 298 S HN 0.728 nan 8.310 nan 0.000 0.492 299 H N 0.035 118.918 119.070 -0.313 0.000 2.422 299 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 299 H C 0.753 175.688 175.328 -0.655 0.000 1.098 299 H CA 1.936 57.530 56.048 -0.758 0.000 1.315 299 H CB -0.576 28.376 29.762 -1.350 0.000 1.382 299 H HN 0.617 nan 8.280 nan 0.000 0.523 300 D N 1.527 121.322 120.400 -1.009 0.000 2.085 300 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 300 D C 1.911 178.115 176.300 -0.160 0.000 0.981 300 D CA 1.645 55.304 54.000 -0.569 0.000 0.834 300 D CB -0.275 40.264 40.800 -0.436 0.000 0.992 300 D HN 0.627 nan 8.370 nan 0.000 0.457 301 N N 0.458 119.139 118.700 -0.032 0.000 2.461 301 N HA -0.108 4.632 4.740 -0.000 0.000 0.188 301 N C 1.234 176.809 175.510 0.108 0.000 1.134 301 N CA 0.394 53.502 53.050 0.095 0.000 0.878 301 N CB -0.610 38.001 38.487 0.206 0.000 0.972 301 N HN 0.377 nan 8.380 nan 0.000 0.456 302 Q N 0.631 120.463 119.800 0.054 0.000 2.432 302 Q HA -0.002 4.338 4.340 -0.000 0.000 0.205 302 Q C 0.671 176.809 176.000 0.230 0.000 0.945 302 Q CA 0.435 56.321 55.803 0.139 0.000 0.924 302 Q CB -0.065 28.747 28.738 0.123 0.000 1.016 302 Q HN 0.557 nan 8.270 nan 0.000 0.503 303 R N -0.930 119.638 120.500 0.113 0.000 2.659 303 R HA 0.431 4.771 4.340 -0.000 0.000 0.418 303 R C 0.587 177.026 176.300 0.232 0.000 1.076 303 R CA 0.022 56.222 56.100 0.168 0.000 1.093 303 R CB 0.333 30.523 30.300 -0.182 0.000 1.400 303 R HN 0.178 nan 8.270 nan 0.000 0.583 304 G N 1.122 110.038 108.800 0.194 0.000 2.166 304 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 304 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 304 G C 0.425 175.384 174.900 0.098 0.000 0.986 304 G CA 0.554 45.746 45.100 0.153 0.000 0.683 304 G HN 0.617 nan 8.290 nan 0.000 0.527 305 H N 0.122 119.238 119.070 0.077 0.000 2.539 305 H HA 0.356 4.912 4.556 0.000 0.000 0.269 305 H C 1.473 176.809 175.328 0.013 0.000 0.980 305 H CA 1.086 57.188 56.048 0.090 0.000 1.152 305 H CB 0.750 30.652 29.762 0.233 0.000 1.407 305 H HN 0.588 nan 8.280 nan 0.000 0.564 306 G N -0.536 108.305 108.800 0.068 0.000 2.725 306 G HA2 0.505 4.465 3.960 -0.000 0.000 0.288 306 G HA3 0.505 4.465 3.960 -0.000 0.000 0.288 306 G C -0.966 173.919 174.900 -0.025 0.000 1.399 306 G CA -0.252 44.836 45.100 -0.019 0.000 0.859 306 G HN 0.240 nan 8.290 nan 0.000 0.479 307 A N -1.297 121.451 122.820 -0.121 0.000 2.531 307 A HA 0.574 4.894 4.320 -0.000 0.000 0.236 307 A C 1.403 179.036 177.584 0.080 0.000 1.062 307 A CA 1.575 53.571 52.037 -0.068 0.000 0.760 307 A CB 0.047 18.946 19.000 -0.168 0.000 0.995 307 A HN 2.574 nan 8.150 nan 0.000 0.501 308 G N 0.577 109.430 108.800 0.089 0.000 3.033 308 G HA2 0.332 4.292 3.960 -0.000 0.000 0.196 308 G HA3 0.332 4.292 3.960 -0.000 0.000 0.196 308 G C 1.672 176.644 174.900 0.120 0.000 1.078 308 G CA 0.837 46.015 45.100 0.129 0.000 0.805 308 G HN 2.786 nan 8.290 nan 0.000 0.472 309 G N 0.655 109.521 108.800 0.110 0.000 2.596 309 G HA2 0.105 4.065 3.960 -0.000 0.000 0.295 309 G HA3 0.105 4.065 3.960 -0.000 0.000 0.295 309 G C 1.556 176.550 174.900 0.157 0.000 1.240 309 G CA 2.510 47.683 45.100 0.122 0.000 0.985 309 G HN 1.985 nan 8.290 nan 0.000 0.555 310 A N -0.506 122.435 122.820 0.202 0.000 2.019 310 A HA 0.173 4.493 4.320 -0.000 0.000 0.219 310 A C 2.775 180.504 177.584 0.241 0.000 1.164 310 A CA 3.254 55.455 52.037 0.272 0.000 0.644 310 A CB -0.774 18.437 19.000 0.351 0.000 0.805 310 A HN 2.161 nan 8.150 nan 0.000 0.449 311 S N -0.398 115.402 115.700 0.167 0.000 2.453 311 S HA 0.052 4.522 4.470 -0.000 0.000 0.231 311 S C 0.823 175.325 174.600 -0.165 0.000 1.005 311 S CA -0.017 58.052 58.200 -0.218 0.000 0.949 311 S CB -0.504 62.637 63.200 -0.099 0.000 0.774 311 S HN 0.280 nan 8.310 nan 0.000 0.510 312 I N 2.975 123.546 120.570 0.002 0.000 2.826 312 I HA 0.074 4.244 4.170 -0.000 0.000 0.295 312 I C 0.301 176.445 176.117 0.045 0.000 1.213 312 I CA 0.055 61.385 61.300 0.050 0.000 1.436 312 I CB -0.548 37.526 38.000 0.123 0.000 1.348 312 I HN 0.343 nan 8.210 nan 0.000 0.570 313 L N 7.034 128.307 121.223 0.083 0.000 2.307 313 L HA 0.456 4.796 4.340 -0.000 0.000 0.282 313 L C 0.638 177.642 176.870 0.224 0.000 1.051 313 L CA -0.301 54.627 54.840 0.148 0.000 0.804 313 L CB 1.563 43.734 42.059 0.188 0.000 1.197 313 L HN 0.766 nan 8.230 nan 0.000 0.431 314 T N -1.908 112.634 114.554 -0.019 0.000 2.742 314 T HA 0.350 4.700 4.350 -0.000 0.000 0.282 314 T C 0.831 175.014 174.700 -0.862 0.000 1.025 314 T CA -0.632 61.199 62.100 -0.448 0.000 1.020 314 T CB 0.796 69.547 68.868 -0.195 0.000 1.317 314 T HN 0.420 nan 8.240 nan 0.000 0.538 315 F N -1.092 118.315 119.950 -0.905 0.000 2.250 315 F HA 0.131 4.658 4.527 0.000 0.000 0.301 315 F C 1.725 177.437 175.800 -0.147 0.000 1.077 315 F CA 0.130 57.816 58.000 -0.523 0.000 1.348 315 F CB -1.135 37.610 39.000 -0.426 0.000 1.040 315 F HN 0.560 nan 8.300 nan 0.000 0.509 316 W N 1.503 122.339 121.300 -0.773 0.000 2.350 316 W HA -0.125 4.536 4.660 0.001 0.000 0.289 316 W C 0.843 177.281 176.519 -0.135 0.000 1.215 316 W CA 1.024 58.102 57.345 -0.445 0.000 1.236 316 W CB -0.244 28.898 29.460 -0.529 0.000 1.130 316 W HN -0.010 nan 8.180 nan 0.000 0.541 317 D N -0.054 120.412 120.400 0.110 0.000 3.058 317 D HA 0.249 4.889 4.640 -0.000 0.000 0.272 317 D C 1.530 177.954 176.300 0.208 0.000 1.350 317 D CA 0.345 54.425 54.000 0.134 0.000 0.863 317 D CB 0.073 40.931 40.800 0.098 0.000 1.064 317 D HN 0.019 nan 8.370 nan 0.000 0.488 318 A N 1.395 124.363 122.820 0.247 0.000 1.900 318 A HA -0.360 3.960 4.320 -0.000 0.000 0.225 318 A C 2.186 179.963 177.584 0.321 0.000 1.414 318 A CA 2.033 54.277 52.037 0.345 0.000 0.702 318 A CB -0.512 18.589 19.000 0.169 0.000 0.845 318 A HN 0.351 nan 8.150 nan 0.000 0.478 319 R N -0.665 119.951 120.500 0.193 0.000 2.080 319 R HA -0.098 4.242 4.340 -0.000 0.000 0.236 319 R C 2.186 178.588 176.300 0.169 0.000 1.137 319 R CA 1.968 58.168 56.100 0.168 0.000 0.943 319 R CB -0.430 29.933 30.300 0.106 0.000 0.846 319 R HN 0.580 nan 8.270 nan 0.000 0.431 320 L N -0.678 120.621 121.223 0.127 0.000 2.141 320 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 320 L C 2.288 179.214 176.870 0.092 0.000 1.094 320 L CA 0.880 55.753 54.840 0.055 0.000 0.763 320 L CB -0.529 41.530 42.059 0.001 0.000 0.908 320 L HN 0.301 nan 8.230 nan 0.000 0.437 321 Y N 1.333 121.677 120.300 0.073 0.000 2.145 321 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 321 Y C 2.561 178.538 175.900 0.129 0.000 1.145 321 Y CA 1.575 59.737 58.100 0.104 0.000 1.148 321 Y CB -0.107 38.471 38.460 0.196 0.000 0.981 321 Y HN -0.021 nan 8.280 nan 0.000 0.507 322 K N -0.441 120.111 120.400 0.254 0.000 2.103 322 K HA -0.246 4.074 4.320 -0.000 0.000 0.207 322 K C 2.276 178.860 176.600 -0.026 0.000 1.048 322 K CA 1.909 58.332 56.287 0.226 0.000 0.930 322 K CB -0.287 32.490 32.500 0.461 0.000 0.716 322 K HN 0.412 nan 8.250 nan 0.000 0.444 323 M N 0.309 119.802 119.600 -0.179 0.000 2.132 323 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 323 M C 2.094 178.150 176.300 -0.406 0.000 1.065 323 M CA 1.543 56.480 55.300 -0.605 0.000 1.122 323 M CB -0.027 32.357 32.600 -0.360 0.000 1.365 323 M HN 0.182 nan 8.290 nan 0.000 0.411 324 A N -0.471 122.173 122.820 -0.293 0.000 1.858 324 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 324 A C 2.015 179.488 177.584 -0.185 0.000 1.190 324 A CA 1.929 53.802 52.037 -0.273 0.000 0.617 324 A CB -1.193 17.671 19.000 -0.227 0.000 0.827 324 A HN 0.385 nan 8.150 nan 0.000 0.443 325 V N 0.073 119.833 119.914 -0.257 0.000 2.407 325 V HA -0.187 3.933 4.120 -0.000 0.000 0.248 325 V C 2.764 178.822 176.094 -0.061 0.000 1.055 325 V CA 1.891 64.080 62.300 -0.185 0.000 1.049 325 V CB -1.459 30.187 31.823 -0.294 0.000 0.662 325 V HN 0.633 nan 8.190 nan 0.000 0.455 326 G N -0.902 107.856 108.800 -0.071 0.000 2.421 326 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 326 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 326 G C 1.559 176.509 174.900 0.083 0.000 1.171 326 G CA 0.949 46.050 45.100 0.001 0.000 0.775 326 G HN 0.484 nan 8.290 nan 0.000 0.543 327 F N 0.925 120.850 119.950 -0.042 0.000 2.102 327 F HA -0.014 4.513 4.527 0.000 0.000 0.298 327 F C 2.650 178.499 175.800 0.082 0.000 1.105 327 F CA 2.072 60.063 58.000 -0.014 0.000 1.239 327 F CB -0.103 38.583 39.000 -0.524 0.000 0.991 327 F HN 0.157 nan 8.300 nan 0.000 0.474 328 M N -0.049 119.667 119.600 0.192 0.000 2.080 328 M HA -0.230 4.250 4.480 -0.000 0.000 0.260 328 M C 2.000 178.373 176.300 0.121 0.000 1.068 328 M CA 1.950 57.402 55.300 0.252 0.000 1.109 328 M CB -0.479 32.269 32.600 0.247 0.000 1.342 328 M HN 0.294 nan 8.290 nan 0.000 0.405 329 L N 0.001 121.247 121.223 0.038 0.000 2.275 329 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 329 L C 2.560 179.453 176.870 0.037 0.000 1.119 329 L CA 0.859 55.702 54.840 0.005 0.000 0.790 329 L CB -0.703 41.338 42.059 -0.029 0.000 0.919 329 L HN 0.442 nan 8.230 nan 0.000 0.443 330 A N -2.173 120.641 122.820 -0.009 0.000 2.030 330 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 330 A C 1.166 178.934 177.584 0.306 0.000 1.164 330 A CA 0.145 52.215 52.037 0.054 0.000 0.697 330 A CB -0.321 18.537 19.000 -0.237 0.000 0.827 330 A HN 0.284 nan 8.150 nan 0.000 0.457 331 H N 1.060 120.177 119.070 0.078 0.000 2.683 331 H HA 0.155 4.711 4.556 0.000 0.000 0.339 331 H C -1.631 173.763 175.328 0.109 0.000 1.081 331 H CA -1.283 54.770 56.048 0.008 0.000 1.432 331 H CB 1.447 31.066 29.762 -0.238 0.000 1.462 331 H HN 0.108 nan 8.280 nan 0.000 0.557 332 P HA -0.161 nan 4.420 nan 0.000 0.225 332 P C 0.269 177.675 177.300 0.178 0.000 1.148 332 P CA 0.666 63.795 63.100 0.047 0.000 0.779 332 P CB -0.136 31.538 31.700 -0.043 0.000 0.780 333 Y N 2.206 122.707 120.300 0.335 0.000 2.526 333 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 333 Y C 1.289 177.242 175.900 0.090 0.000 1.156 333 Y CA 1.287 59.518 58.100 0.218 0.000 1.419 333 Y CB -0.273 38.331 38.460 0.241 0.000 1.250 333 Y HN 0.309 nan 8.280 nan 0.000 0.540 334 G N 4.585 112.985 108.800 -0.668 0.000 2.806 334 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.236 334 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.236 334 G C -1.333 173.481 174.900 -0.143 0.000 1.387 334 G CA -0.188 44.618 45.100 -0.490 0.000 0.884 334 G HN 0.920 nan 8.290 nan 0.000 0.560 335 F N 1.848 121.660 119.950 -0.229 0.000 2.427 335 F HA 0.646 5.173 4.527 -0.000 0.000 0.346 335 F C 1.116 176.813 175.800 -0.172 0.000 1.120 335 F CA 0.048 57.944 58.000 -0.173 0.000 1.033 335 F CB 1.608 40.517 39.000 -0.151 0.000 1.126 335 F HN 0.848 nan 8.300 nan 0.000 0.462 336 T N 3.954 118.101 114.554 -0.679 0.000 2.845 336 T HA 0.439 4.789 4.350 -0.000 0.000 0.288 336 T C -0.370 174.086 174.700 -0.407 0.000 0.980 336 T CA -0.870 60.961 62.100 -0.447 0.000 1.071 336 T CB 1.399 70.067 68.868 -0.333 0.000 0.941 336 T HN 0.796 nan 8.240 nan 0.000 0.487 337 R N 2.205 122.604 120.500 -0.168 0.000 2.437 337 R HA 0.604 4.944 4.340 -0.000 0.000 0.310 337 R C -1.499 174.804 176.300 0.005 0.000 0.955 337 R CA -0.728 55.321 56.100 -0.085 0.000 0.851 337 R CB 1.431 31.680 30.300 -0.085 0.000 1.161 337 R HN 0.610 nan 8.270 nan 0.000 0.446 338 V N 5.437 125.372 119.914 0.036 0.000 2.472 338 V HA 0.338 4.458 4.120 -0.000 0.000 0.290 338 V C 0.211 176.370 176.094 0.109 0.000 1.037 338 V CA -0.765 61.590 62.300 0.091 0.000 0.908 338 V CB 1.494 33.408 31.823 0.151 0.000 0.985 338 V HN 0.800 nan 8.190 nan 0.000 0.454 339 M N 3.770 123.452 119.600 0.136 0.000 2.274 339 M HA 0.526 5.006 4.480 -0.000 0.000 0.344 339 M C -0.104 176.241 176.300 0.075 0.000 1.161 339 M CA 0.599 55.976 55.300 0.128 0.000 1.126 339 M CB 1.493 34.198 32.600 0.175 0.000 1.522 339 M HN 0.645 nan 8.290 nan 0.000 0.461 340 S N 2.366 118.083 115.700 0.028 0.000 2.776 340 S HA 0.739 5.209 4.470 -0.000 0.000 0.284 340 S C -1.255 173.429 174.600 0.139 0.000 1.160 340 S CA -0.631 57.597 58.200 0.047 0.000 1.051 340 S CB 0.444 63.597 63.200 -0.078 0.000 1.037 340 S HN 0.857 nan 8.310 nan 0.000 0.485 341 S N 3.196 118.956 115.700 0.099 0.000 2.801 341 S HA 0.856 5.325 4.470 -0.000 0.000 0.312 341 S C -1.130 173.573 174.600 0.172 0.000 1.112 341 S CA -0.816 57.467 58.200 0.138 0.000 0.943 341 S CB 0.562 63.765 63.200 0.006 0.000 1.269 341 S HN 0.809 nan 8.310 nan 0.000 0.558 342 Y N -1.092 119.289 120.300 0.135 0.000 2.570 342 Y HA 0.779 5.329 4.550 -0.000 0.000 0.345 342 Y C -0.511 175.396 175.900 0.012 0.000 1.014 342 Y CA -1.496 56.565 58.100 -0.065 0.000 1.063 342 Y CB 0.803 39.081 38.460 -0.303 0.000 1.272 342 Y HN 0.466 nan 8.280 nan 0.000 0.477 343 R N 1.503 122.077 120.500 0.123 0.000 2.410 343 R HA 0.443 4.783 4.340 -0.000 0.000 0.288 343 R C -1.495 175.103 176.300 0.496 0.000 1.051 343 R CA -0.358 55.848 56.100 0.176 0.000 1.021 343 R CB 0.854 31.143 30.300 -0.019 0.000 1.032 343 R HN 0.941 nan 8.270 nan 0.000 0.481 344 W N 2.073 123.605 121.300 0.387 0.000 3.033 344 W HA 0.497 5.156 4.660 -0.001 0.000 0.336 344 W C -2.564 174.113 176.519 0.264 0.000 1.173 344 W CA -2.675 54.829 57.345 0.265 0.000 1.185 344 W CB 0.465 30.068 29.460 0.240 0.000 1.425 344 W HN 0.316 nan 8.180 nan 0.000 0.536 345 P HA 0.122 nan 4.420 nan 0.000 0.263 345 P C -0.261 176.971 177.300 -0.113 0.000 1.601 345 P CA 0.030 63.133 63.100 0.005 0.000 1.161 345 P CB 0.299 32.028 31.700 0.049 0.000 1.730 346 R N 2.643 122.871 120.500 -0.453 0.000 2.538 346 R HA 0.080 4.420 4.340 -0.000 0.000 0.282 346 R C 0.577 176.678 176.300 -0.332 0.000 1.009 346 R CA 0.337 56.120 56.100 -0.527 0.000 1.063 346 R CB 0.382 30.089 30.300 -0.989 0.000 0.945 346 R HN 0.473 nan 8.270 nan 0.000 0.414 347 Q N 3.718 123.344 119.800 -0.291 0.000 2.616 347 Q HA 0.205 4.545 4.340 -0.000 0.000 0.250 347 Q C -1.211 174.679 176.000 -0.184 0.000 0.991 347 Q CA -0.406 55.310 55.803 -0.145 0.000 0.707 347 Q CB 1.002 29.728 28.738 -0.021 0.000 1.247 347 Q HN 0.390 nan 8.270 nan 0.000 0.491 348 F N 1.875 121.809 119.950 -0.026 0.000 2.472 348 F HA 0.199 4.726 4.527 -0.001 0.000 0.364 348 F C 0.774 176.580 175.800 0.010 0.000 1.090 348 F CA 0.251 58.244 58.000 -0.011 0.000 1.188 348 F CB 0.801 39.772 39.000 -0.049 0.000 1.105 348 F HN 0.175 nan 8.300 nan 0.000 0.536 349 Q N 3.153 123.075 119.800 0.203 0.000 2.290 349 Q HA 0.274 4.614 4.340 -0.000 0.000 0.269 349 Q C -0.484 175.595 176.000 0.132 0.000 1.016 349 Q CA -0.861 55.023 55.803 0.136 0.000 0.754 349 Q CB 1.509 30.307 28.738 0.100 0.000 1.247 349 Q HN 0.555 nan 8.270 nan 0.000 0.451 350 N N 1.737 120.498 118.700 0.102 0.000 2.727 350 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 350 N C 0.543 176.109 175.510 0.093 0.000 1.048 350 N CA 1.465 54.560 53.050 0.076 0.000 0.714 350 N CB -1.065 37.459 38.487 0.061 0.000 0.959 350 N HN 1.146 nan 8.380 nan 0.000 0.544 351 G N -1.679 107.194 108.800 0.121 0.000 2.205 351 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.261 351 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.261 351 G C 0.006 175.085 174.900 0.298 0.000 0.980 351 G CA 0.581 45.758 45.100 0.128 0.000 0.632 351 G HN 0.610 nan 8.290 nan 0.000 0.533 352 N N 0.141 119.036 118.700 0.324 0.000 2.292 352 N HA 0.519 5.258 4.740 -0.000 0.000 0.303 352 N C -1.463 174.120 175.510 0.122 0.000 1.140 352 N CA -0.643 52.577 53.050 0.284 0.000 0.788 352 N CB 1.643 40.221 38.487 0.153 0.000 1.361 352 N HN 0.143 nan 8.380 nan 0.000 0.489 353 D N 0.831 121.152 120.400 -0.130 0.000 2.365 353 D HA 0.064 4.704 4.640 -0.000 0.000 0.237 353 D C 0.994 177.280 176.300 -0.024 0.000 1.190 353 D CA -0.637 53.133 54.000 -0.383 0.000 0.867 353 D CB 0.792 41.278 40.800 -0.524 0.000 1.050 353 D HN 0.382 nan 8.370 nan 0.000 0.491 354 V N 1.750 121.682 119.914 0.030 0.000 3.141 354 V HA 0.063 4.183 4.120 -0.000 0.000 0.265 354 V C 0.710 176.974 176.094 0.282 0.000 1.126 354 V CA 0.702 63.109 62.300 0.179 0.000 1.141 354 V CB -0.510 31.417 31.823 0.173 0.000 0.743 354 V HN 0.381 nan 8.190 nan 0.000 0.492 355 N N 1.838 120.615 118.700 0.129 0.000 2.321 355 N HA 0.078 4.818 4.740 -0.000 0.000 0.242 355 N C 0.861 176.271 175.510 -0.165 0.000 1.141 355 N CA 0.694 53.692 53.050 -0.086 0.000 0.864 355 N CB 0.181 38.661 38.487 -0.012 0.000 1.100 355 N HN 0.784 nan 8.380 nan 0.000 0.510 356 D N -0.435 120.018 120.400 0.088 0.000 2.378 356 D HA -0.133 4.507 4.640 -0.000 0.000 0.227 356 D C 1.484 177.965 176.300 0.303 0.000 1.012 356 D CA 0.164 54.236 54.000 0.121 0.000 0.905 356 D CB -0.388 40.623 40.800 0.352 0.000 0.895 356 D HN 0.499 nan 8.370 nan 0.000 0.532 357 W N 0.792 122.321 121.300 0.381 0.000 2.812 357 W HA 0.278 4.937 4.660 -0.000 0.000 0.263 357 W C -0.141 176.496 176.519 0.197 0.000 1.284 357 W CA -0.592 56.974 57.345 0.368 0.000 1.430 357 W CB -0.693 28.962 29.460 0.325 0.000 1.088 357 W HN -0.312 nan 8.180 nan 0.000 0.623 358 V N 3.623 123.121 119.914 -0.692 0.000 2.644 358 V HA 0.069 4.189 4.120 -0.000 0.000 0.303 358 V C 1.465 177.585 176.094 0.044 0.000 1.058 358 V CA 1.089 63.047 62.300 -0.570 0.000 1.228 358 V CB -0.621 30.895 31.823 -0.511 0.000 0.861 358 V HN 0.184 nan 8.190 nan 0.000 0.484 359 G N 6.921 115.737 108.800 0.026 0.000 2.588 359 G HA2 0.453 4.412 3.960 -0.000 0.000 0.278 359 G HA3 0.453 4.412 3.960 -0.000 0.000 0.278 359 G C -2.236 172.391 174.900 -0.455 0.000 1.307 359 G CA -0.989 44.090 45.100 -0.035 0.000 1.016 359 G HN 0.653 nan 8.290 nan 0.000 0.503 360 P HA 0.166 nan 4.420 nan 0.000 0.271 360 P C -2.653 174.130 177.300 -0.861 0.000 1.233 360 P CA -0.931 61.321 63.100 -1.413 0.000 0.789 360 P CB -0.096 31.100 31.700 -0.840 0.000 0.951 361 P HA 0.035 nan 4.420 nan 0.000 0.264 361 P C -0.344 176.754 177.300 -0.337 0.000 1.183 361 P CA 0.790 63.532 63.100 -0.598 0.000 0.763 361 P CB -0.137 31.071 31.700 -0.820 0.000 0.807 362 N N 0.651 119.244 118.700 -0.178 0.000 2.927 362 N HA 0.375 5.115 4.740 -0.000 0.000 0.248 362 N C -1.641 173.864 175.510 -0.008 0.000 1.443 362 N CA -1.051 51.954 53.050 -0.075 0.000 0.870 362 N CB 1.092 39.548 38.487 -0.053 0.000 1.444 362 N HN 0.072 nan 8.380 nan 0.000 0.519 363 N N 0.388 119.100 118.700 0.020 0.000 2.569 363 N HA 0.388 5.128 4.740 -0.000 0.000 0.254 363 N C -1.153 174.405 175.510 0.081 0.000 1.004 363 N CA -0.773 52.299 53.050 0.037 0.000 0.904 363 N CB 0.735 39.232 38.487 0.017 0.000 1.165 363 N HN 0.570 nan 8.380 nan 0.000 0.513 364 N N 2.015 120.791 118.700 0.126 0.000 2.740 364 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 364 N C 0.886 176.589 175.510 0.321 0.000 1.062 364 N CA 1.347 54.517 53.050 0.199 0.000 0.704 364 N CB -1.039 37.517 38.487 0.113 0.000 0.968 364 N HN 1.027 nan 8.380 nan 0.000 0.547 365 G N -2.458 106.544 108.800 0.338 0.000 2.241 365 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.244 365 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.244 365 G C 0.039 174.928 174.900 -0.017 0.000 0.998 365 G CA 0.231 45.383 45.100 0.087 0.000 0.621 365 G HN 0.457 nan 8.290 nan 0.000 0.519 366 V N 3.071 122.998 119.914 0.023 0.000 2.408 366 V HA 0.400 4.520 4.120 -0.000 0.000 0.267 366 V C 1.295 177.368 176.094 -0.034 0.000 1.047 366 V CA -0.565 61.726 62.300 -0.014 0.000 0.937 366 V CB 1.094 32.920 31.823 0.006 0.000 0.999 366 V HN 0.351 nan 8.190 nan 0.000 0.472 367 I N 5.248 125.780 120.570 -0.063 0.000 2.752 367 I HA 0.011 4.181 4.170 -0.000 0.000 0.289 367 I C 0.962 177.082 176.117 0.006 0.000 1.197 367 I CA 0.292 61.564 61.300 -0.047 0.000 1.432 367 I CB 0.127 38.101 38.000 -0.043 0.000 1.359 367 I HN 0.590 nan 8.210 nan 0.000 0.571 368 K N 6.109 126.533 120.400 0.040 0.000 2.258 368 K HA 0.080 4.400 4.320 -0.000 0.000 0.264 368 K C 0.230 176.919 176.600 0.149 0.000 1.007 368 K CA -0.562 55.771 56.287 0.078 0.000 0.941 368 K CB 0.487 33.015 32.500 0.046 0.000 0.966 368 K HN 0.491 nan 8.250 nan 0.000 0.480 369 E N 1.260 121.484 120.200 0.039 0.000 2.390 369 E HA 0.051 4.401 4.350 -0.000 0.000 0.261 369 E C -0.430 176.090 176.600 -0.132 0.000 1.076 369 E CA -0.460 55.888 56.400 -0.086 0.000 0.905 369 E CB 0.565 30.218 29.700 -0.080 0.000 0.984 369 E HN 0.091 nan 8.360 nan 0.000 0.427 370 V N 2.891 122.504 119.914 -0.503 0.000 2.389 370 V HA 0.118 4.238 4.120 -0.000 0.000 0.264 370 V C 0.427 176.337 176.094 -0.306 0.000 1.049 370 V CA -0.188 61.684 62.300 -0.713 0.000 0.932 370 V CB 0.307 31.285 31.823 -1.409 0.000 1.011 370 V HN 0.785 nan 8.190 nan 0.000 0.475 371 T N 4.309 118.791 114.554 -0.119 0.000 2.837 371 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 371 T C -0.424 174.246 174.700 -0.050 0.000 0.984 371 T CA -0.758 61.304 62.100 -0.063 0.000 1.049 371 T CB 1.304 70.164 68.868 -0.014 0.000 0.947 371 T HN 0.216 nan 8.240 nan 0.000 0.472 372 I N 3.675 124.219 120.570 -0.043 0.000 2.315 372 I HA 0.306 4.476 4.170 -0.000 0.000 0.291 372 I C 0.429 176.540 176.117 -0.010 0.000 1.006 372 I CA -0.881 60.401 61.300 -0.030 0.000 1.265 372 I CB 0.584 38.569 38.000 -0.026 0.000 1.387 372 I HN 0.684 nan 8.210 nan 0.000 0.475 373 N N 8.851 127.549 118.700 -0.003 0.000 2.445 373 N HA 0.253 4.993 4.740 -0.000 0.000 0.264 373 N C -1.405 174.109 175.510 0.007 0.000 1.227 373 N CA -1.280 51.773 53.050 0.004 0.000 0.963 373 N CB 0.594 39.086 38.487 0.008 0.000 1.188 373 N HN 0.355 nan 8.380 nan 0.000 0.491 374 P HA -0.145 nan 4.420 nan 0.000 0.219 374 P C 0.111 177.421 177.300 0.018 0.000 1.146 374 P CA 1.325 64.433 63.100 0.014 0.000 0.808 374 P CB 0.135 31.842 31.700 0.012 0.000 0.779 375 D N -1.303 119.106 120.400 0.015 0.000 2.328 375 D HA -0.033 4.607 4.640 -0.000 0.000 0.226 375 D C 0.771 177.088 176.300 0.027 0.000 1.066 375 D CA 1.001 55.012 54.000 0.019 0.000 0.861 375 D CB -1.077 39.728 40.800 0.009 0.000 0.912 375 D HN 0.254 nan 8.370 nan 0.000 0.521 376 T N -4.654 109.913 114.554 0.022 0.000 5.975 376 T HA -0.268 4.082 4.350 -0.000 0.000 0.273 376 T C 0.523 175.208 174.700 -0.024 0.000 2.189 376 T CA 1.266 63.372 62.100 0.010 0.000 3.660 376 T CB -3.089 65.810 68.868 0.052 0.000 1.044 376 T HN 0.580 nan 8.240 nan 0.000 1.166 377 T N -1.072 113.484 114.554 0.003 0.000 2.770 377 T HA 0.676 5.025 4.350 -0.000 0.000 0.281 377 T C 0.820 175.526 174.700 0.011 0.000 0.981 377 T CA -0.272 61.841 62.100 0.022 0.000 0.955 377 T CB 1.343 70.235 68.868 0.040 0.000 1.060 377 T HN 0.625 nan 8.240 nan 0.000 0.531 378 c N 0.201 118.827 118.600 0.045 0.000 2.399 378 c HA 0.906 5.476 4.570 -0.000 0.000 0.348 378 c C 1.292 175.427 174.090 0.074 0.000 1.183 378 c CA -0.353 56.007 56.329 0.051 0.000 2.023 378 c CB 0.881 43.446 42.510 0.092 0.000 2.361 378 c HN 1.201 nan 8.230 nan 0.000 0.521 379 G N 0.214 109.060 108.800 0.077 0.000 2.971 379 G HA2 0.460 4.420 3.960 -0.000 0.000 0.235 379 G HA3 0.460 4.420 3.960 -0.000 0.000 0.235 379 G C -0.058 174.914 174.900 0.120 0.000 1.351 379 G CA -0.203 44.938 45.100 0.069 0.000 1.039 379 G HN 0.745 nan 8.290 nan 0.000 0.563 380 N N 0.345 119.071 118.700 0.043 0.000 2.714 380 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 380 N C -0.048 175.319 175.510 -0.238 0.000 1.117 380 N CA 1.368 54.404 53.050 -0.024 0.000 0.719 380 N CB -0.557 37.988 38.487 0.097 0.000 1.081 380 N HN 0.682 nan 8.380 nan 0.000 0.557 381 D N -3.946 116.355 120.400 -0.166 0.000 3.077 381 D HA -0.224 4.416 4.640 -0.000 0.000 0.212 381 D C -0.441 175.688 176.300 -0.285 0.000 1.125 381 D CA 1.032 54.896 54.000 -0.227 0.000 0.970 381 D CB -1.457 39.184 40.800 -0.264 0.000 1.110 381 D HN 0.519 nan 8.370 nan 0.000 0.419 382 W N 0.270 121.535 121.300 -0.058 0.000 2.316 382 W HA 0.379 5.039 4.660 0.000 0.000 0.311 382 W C 1.697 178.189 176.519 -0.046 0.000 1.217 382 W CA -0.906 56.418 57.345 -0.036 0.000 1.199 382 W CB 0.810 30.192 29.460 -0.130 0.000 1.202 382 W HN -0.284 nan 8.180 nan 0.000 0.528 383 V N 2.094 122.065 119.914 0.094 0.000 2.488 383 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 383 V C 1.178 177.319 176.094 0.077 0.000 1.046 383 V CA 0.391 62.646 62.300 -0.076 0.000 1.053 383 V CB -0.882 30.588 31.823 -0.590 0.000 0.679 383 V HN 0.876 nan 8.190 nan 0.000 0.458 384 c N 1.388 120.078 118.600 0.150 0.000 3.727 384 c HA -0.161 4.409 4.570 -0.000 0.000 0.293 384 c C 1.679 175.645 174.090 -0.206 0.000 1.339 384 c CA 0.538 56.938 56.329 0.117 0.000 2.150 384 c CB -2.557 39.989 42.510 0.061 0.000 1.383 384 c HN 0.680 nan 8.230 nan 0.000 0.614 385 E N 0.422 120.361 120.200 -0.435 0.000 2.209 385 E HA -0.187 4.163 4.350 -0.000 0.000 0.196 385 E C 1.960 178.314 176.600 -0.411 0.000 0.993 385 E CA 1.642 57.389 56.400 -1.089 0.000 0.819 385 E CB -0.173 29.047 29.700 -0.801 0.000 0.745 385 E HN 0.973 nan 8.360 nan 0.000 0.477 386 H N -0.028 118.946 119.070 -0.161 0.000 2.543 386 H HA 0.073 4.629 4.556 -0.000 0.000 0.286 386 H C 1.309 176.752 175.328 0.192 0.000 1.037 386 H CA 0.962 57.050 56.048 0.067 0.000 1.250 386 H CB -0.030 29.699 29.762 -0.055 0.000 1.373 386 H HN 0.089 nan 8.280 nan 0.000 0.580 387 R N -0.688 119.589 120.500 -0.371 0.000 2.312 387 R HA 0.057 4.397 4.340 -0.000 0.000 0.205 387 R C -0.222 176.218 176.300 0.234 0.000 0.904 387 R CA -0.441 55.537 56.100 -0.203 0.000 1.052 387 R CB 0.255 30.238 30.300 -0.528 0.000 1.014 387 R HN 0.101 nan 8.270 nan 0.000 0.503 388 W N 1.950 123.281 121.300 0.053 0.000 2.308 388 W HA 0.113 4.772 4.660 -0.000 0.000 0.324 388 W C 1.575 178.173 176.519 0.131 0.000 1.387 388 W CA -0.944 56.458 57.345 0.094 0.000 1.250 388 W CB 0.027 29.566 29.460 0.132 0.000 1.257 388 W HN 0.082 nan 8.180 nan 0.000 0.554 389 R N 1.836 122.514 120.500 0.298 0.000 2.112 389 R HA -0.318 4.022 4.340 -0.000 0.000 0.242 389 R C 1.738 178.166 176.300 0.214 0.000 1.137 389 R CA 2.578 58.807 56.100 0.215 0.000 0.944 389 R CB -0.022 30.351 30.300 0.121 0.000 0.857 389 R HN 0.486 nan 8.270 nan 0.000 0.435 390 Q N 0.105 120.037 119.800 0.220 0.000 2.135 390 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 390 Q C 2.028 178.181 176.000 0.256 0.000 0.981 390 Q CA 1.903 57.828 55.803 0.203 0.000 0.856 390 Q CB -0.112 28.771 28.738 0.241 0.000 0.902 390 Q HN 0.487 nan 8.270 nan 0.000 0.425 391 I N -0.305 120.455 120.570 0.317 0.000 2.296 391 I HA -0.164 4.006 4.170 -0.000 0.000 0.242 391 I C 2.531 178.786 176.117 0.231 0.000 1.087 391 I CA 0.626 62.080 61.300 0.256 0.000 1.393 391 I CB -0.309 37.843 38.000 0.254 0.000 1.093 391 I HN 0.156 nan 8.210 nan 0.000 0.421 392 R N 1.583 122.269 120.500 0.310 0.000 2.103 392 R HA -0.214 4.126 4.340 -0.000 0.000 0.242 392 R C 1.778 178.174 176.300 0.159 0.000 1.142 392 R CA 1.980 58.276 56.100 0.327 0.000 0.960 392 R CB -0.518 30.051 30.300 0.448 0.000 0.858 392 R HN 0.346 nan 8.270 nan 0.000 0.439 393 N N 0.096 118.898 118.700 0.169 0.000 2.309 393 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 393 N C 1.572 177.174 175.510 0.152 0.000 1.018 393 N CA 1.032 54.174 53.050 0.153 0.000 0.876 393 N CB -0.122 38.461 38.487 0.160 0.000 0.972 393 N HN 0.223 nan 8.380 nan 0.000 0.434 394 M N -0.100 119.572 119.600 0.119 0.000 2.419 394 M HA 0.055 4.535 4.480 -0.000 0.000 0.264 394 M C 1.800 178.122 176.300 0.037 0.000 1.082 394 M CA 0.347 55.697 55.300 0.082 0.000 1.119 394 M CB -0.527 32.098 32.600 0.041 0.000 1.398 394 M HN -0.115 nan 8.290 nan 0.000 0.453 395 V N 0.402 120.288 119.914 -0.047 0.000 2.427 395 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 395 V C 2.282 178.257 176.094 -0.199 0.000 1.051 395 V CA 1.443 63.612 62.300 -0.219 0.000 1.048 395 V CB -0.416 31.079 31.823 -0.548 0.000 0.666 395 V HN 0.343 nan 8.190 nan 0.000 0.456 396 I N -1.061 119.430 120.570 -0.131 0.000 2.353 396 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 396 I C 2.284 178.293 176.117 -0.181 0.000 1.119 396 I CA 1.439 62.655 61.300 -0.139 0.000 1.417 396 I CB -0.394 37.565 38.000 -0.069 0.000 1.078 396 I HN 0.320 nan 8.210 nan 0.000 0.421 397 F N 2.027 121.806 119.950 -0.286 0.000 2.120 397 F HA -0.282 4.245 4.527 0.000 0.000 0.300 397 F C 2.686 178.348 175.800 -0.231 0.000 1.095 397 F CA 1.813 59.598 58.000 -0.358 0.000 1.249 397 F CB -0.364 38.580 39.000 -0.093 0.000 0.995 397 F HN -0.143 nan 8.300 nan 0.000 0.480 398 R N 0.220 120.835 120.500 0.191 0.000 2.081 398 R HA -0.183 4.157 4.340 -0.000 0.000 0.235 398 R C 2.071 178.336 176.300 -0.058 0.000 1.131 398 R CA 1.756 57.914 56.100 0.096 0.000 0.960 398 R CB -0.348 29.960 30.300 0.013 0.000 0.856 398 R HN 0.296 nan 8.270 nan 0.000 0.436 399 N N 0.018 118.648 118.700 -0.118 0.000 2.084 399 N HA -0.144 4.595 4.740 -0.000 0.000 0.190 399 N C 1.801 177.223 175.510 -0.146 0.000 1.030 399 N CA 1.428 54.403 53.050 -0.125 0.000 0.849 399 N CB -0.466 37.940 38.487 -0.135 0.000 1.012 399 N HN 0.042 nan 8.380 nan 0.000 0.423 400 V N 1.173 120.946 119.914 -0.236 0.000 2.287 400 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 400 V C 2.207 178.166 176.094 -0.225 0.000 1.053 400 V CA 1.714 63.857 62.300 -0.262 0.000 1.027 400 V CB -0.653 30.893 31.823 -0.463 0.000 0.646 400 V HN 0.318 nan 8.190 nan 0.000 0.447 401 V N -1.663 118.084 119.914 -0.278 0.000 3.623 401 V HA 0.176 4.296 4.120 -0.000 0.000 0.271 401 V C 0.708 176.762 176.094 -0.067 0.000 1.248 401 V CA 0.006 62.195 62.300 -0.186 0.000 1.156 401 V CB -0.715 30.963 31.823 -0.242 0.000 0.870 401 V HN 0.490 nan 8.190 nan 0.000 0.453 402 D N 1.505 121.869 120.400 -0.060 0.000 2.581 402 D HA 0.358 4.998 4.640 -0.000 0.000 0.238 402 D C 1.440 177.734 176.300 -0.010 0.000 1.145 402 D CA 2.132 56.118 54.000 -0.023 0.000 0.866 402 D CB 0.233 41.015 40.800 -0.030 0.000 1.151 402 D HN 0.588 nan 8.370 nan 0.000 0.500 403 G N 3.217 112.022 108.800 0.007 0.000 2.279 403 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.223 403 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.223 403 G C 0.177 175.091 174.900 0.024 0.000 1.015 403 G CA -0.074 45.034 45.100 0.012 0.000 0.621 403 G HN 0.588 nan 8.290 nan 0.000 0.506 404 Q N 2.147 121.963 119.800 0.027 0.000 2.364 404 Q HA 0.361 4.701 4.340 -0.000 0.000 0.267 404 Q C -1.926 174.118 176.000 0.074 0.000 0.999 404 Q CA -1.045 54.785 55.803 0.044 0.000 0.886 404 Q CB 1.059 29.819 28.738 0.037 0.000 1.243 404 Q HN 0.459 nan 8.270 nan 0.000 0.415 405 P HA 0.080 nan 4.420 nan 0.000 0.274 405 P C -0.652 176.747 177.300 0.164 0.000 1.237 405 P CA -0.409 62.759 63.100 0.113 0.000 0.793 405 P CB 0.471 32.228 31.700 0.095 0.000 0.977 406 F N 2.508 122.464 119.950 0.009 0.000 2.471 406 F HA 0.340 4.867 4.527 -0.000 0.000 0.365 406 F C 0.193 176.046 175.800 0.088 0.000 1.095 406 F CA 0.764 58.763 58.000 -0.002 0.000 1.174 406 F CB 0.067 38.970 39.000 -0.162 0.000 1.105 406 F HN 0.399 nan 8.300 nan 0.000 0.535 407 T N 1.776 116.181 114.554 -0.247 0.000 2.754 407 T HA 0.315 4.665 4.350 -0.000 0.000 0.296 407 T C -0.407 174.262 174.700 -0.053 0.000 1.205 407 T CA -1.192 60.844 62.100 -0.107 0.000 1.009 407 T CB 1.342 70.237 68.868 0.044 0.000 1.368 407 T HN 0.520 nan 8.240 nan 0.000 0.509 408 N N 0.641 119.395 118.700 0.090 0.000 2.714 408 N HA -0.133 4.607 4.740 -0.000 0.000 0.252 408 N C -0.411 175.258 175.510 0.265 0.000 1.014 408 N CA 0.619 53.793 53.050 0.206 0.000 0.735 408 N CB -0.740 37.913 38.487 0.278 0.000 0.924 408 N HN 0.743 nan 8.380 nan 0.000 0.540 409 W N 0.930 122.250 121.300 0.032 0.000 2.170 409 W HA 0.321 4.980 4.660 -0.000 0.000 0.336 409 W C -0.452 176.203 176.519 0.227 0.000 1.283 409 W CA -0.038 57.366 57.345 0.098 0.000 1.224 409 W CB 0.368 29.874 29.460 0.077 0.000 1.132 409 W HN 0.225 nan 8.180 nan 0.000 0.571 410 Y N 4.719 124.575 120.300 -0.740 0.000 2.513 410 Y HA 0.375 4.925 4.550 -0.000 0.000 0.340 410 Y C -1.689 173.749 175.900 -0.769 0.000 1.055 410 Y CA -0.989 56.827 58.100 -0.472 0.000 1.020 410 Y CB 1.370 39.735 38.460 -0.159 0.000 1.301 410 Y HN 0.517 nan 8.280 nan 0.000 0.453 411 D N 2.152 121.602 120.400 -1.584 0.000 2.717 411 D HA 0.190 4.830 4.640 -0.000 0.000 0.223 411 D C -1.109 174.678 176.300 -0.855 0.000 1.240 411 D CA -0.790 52.604 54.000 -1.010 0.000 0.801 411 D CB 0.951 41.623 40.800 -0.213 0.000 1.556 411 D HN 0.445 nan 8.370 nan 0.000 0.462 412 N N 1.502 119.971 118.700 -0.383 0.000 2.313 412 N HA 0.176 4.916 4.740 -0.000 0.000 0.207 412 N C 1.334 176.875 175.510 0.052 0.000 1.141 412 N CA 0.274 53.319 53.050 -0.007 0.000 0.830 412 N CB 0.156 38.799 38.487 0.259 0.000 1.008 412 N HN 1.061 nan 8.380 nan 0.000 0.481 413 G N -1.533 107.264 108.800 -0.005 0.000 2.162 413 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 413 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 413 G C 0.321 175.230 174.900 0.014 0.000 0.976 413 G CA 0.724 45.847 45.100 0.038 0.000 0.655 413 G HN 0.652 nan 8.290 nan 0.000 0.533 414 S N -1.005 114.691 115.700 -0.007 0.000 3.756 414 S HA 0.416 4.886 4.470 -0.000 0.000 0.183 414 S C 0.786 175.297 174.600 -0.148 0.000 1.093 414 S CA 0.705 58.882 58.200 -0.038 0.000 1.303 414 S CB 0.102 63.376 63.200 0.124 0.000 1.593 414 S HN 0.295 nan 8.310 nan 0.000 0.841 415 N N 0.745 119.332 118.700 -0.187 0.000 2.351 415 N HA 0.357 5.097 4.740 -0.000 0.000 0.254 415 N C -1.377 173.972 175.510 -0.268 0.000 1.241 415 N CA -0.071 52.829 53.050 -0.251 0.000 0.883 415 N CB 1.151 39.471 38.487 -0.278 0.000 1.202 415 N HN 0.272 nan 8.380 nan 0.000 0.512 416 Q N 1.393 121.054 119.800 -0.231 0.000 2.339 416 Q HA 0.484 4.824 4.340 -0.000 0.000 0.268 416 Q C -0.860 174.961 176.000 -0.299 0.000 1.027 416 Q CA -0.766 54.869 55.803 -0.281 0.000 0.759 416 Q CB 2.276 30.906 28.738 -0.180 0.000 1.244 416 Q HN 0.112 nan 8.270 nan 0.000 0.464 417 V N -1.229 118.483 119.914 -0.337 0.000 3.141 417 V HA 1.063 5.183 4.120 -0.000 0.000 0.312 417 V C -1.123 174.744 176.094 -0.377 0.000 1.157 417 V CA -0.859 61.157 62.300 -0.473 0.000 1.041 417 V CB 1.962 33.446 31.823 -0.564 0.000 1.071 417 V HN 0.759 nan 8.190 nan 0.000 0.441 418 A N 1.660 124.162 122.820 -0.530 0.000 2.605 418 A HA 1.005 5.325 4.320 -0.000 0.000 0.294 418 A C -1.232 176.090 177.584 -0.437 0.000 1.062 418 A CA -0.168 51.555 52.037 -0.523 0.000 0.682 418 A CB 1.648 20.365 19.000 -0.472 0.000 1.278 418 A HN 2.437 nan 8.150 nan 0.000 0.410 419 F N -1.218 118.311 119.950 -0.702 0.000 2.770 419 F HA 0.841 5.368 4.527 -0.000 0.000 0.313 419 F C -0.073 175.359 175.800 -0.612 0.000 1.154 419 F CA -0.332 57.385 58.000 -0.472 0.000 0.923 419 F CB 0.702 39.578 39.000 -0.206 0.000 1.301 419 F HN 1.183 nan 8.300 nan 0.000 0.449 420 G N 0.423 109.252 108.800 0.049 0.000 2.685 420 G HA2 0.690 4.650 3.960 -0.000 0.000 0.298 420 G HA3 0.690 4.650 3.960 -0.000 0.000 0.298 420 G C -1.605 173.446 174.900 0.251 0.000 1.277 420 G CA -1.313 43.904 45.100 0.196 0.000 0.986 420 G HN 0.587 nan 8.290 nan 0.000 0.487 421 R N 0.289 120.924 120.500 0.224 0.000 2.352 421 R HA 0.497 4.837 4.340 -0.000 0.000 0.304 421 R C 0.862 177.225 176.300 0.105 0.000 1.104 421 R CA 0.054 56.264 56.100 0.183 0.000 0.991 421 R CB 0.360 30.772 30.300 0.187 0.000 1.140 421 R HN 1.289 nan 8.270 nan 0.000 0.540 422 G N 3.540 112.399 108.800 0.098 0.000 2.614 422 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.303 422 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.303 422 G C 0.260 175.200 174.900 0.066 0.000 1.270 422 G CA 0.649 45.792 45.100 0.070 0.000 0.988 422 G HN 0.671 nan 8.290 nan 0.000 0.551 423 N N 0.577 119.304 118.700 0.045 0.000 2.389 423 N HA 0.218 4.958 4.740 -0.000 0.000 0.260 423 N C 1.191 176.721 175.510 0.033 0.000 1.191 423 N CA -0.116 52.958 53.050 0.040 0.000 0.885 423 N CB 0.559 39.068 38.487 0.038 0.000 1.162 423 N HN 0.544 nan 8.380 nan 0.000 0.512 424 R N -0.665 119.844 120.500 0.014 0.000 2.419 424 R HA 0.358 4.698 4.340 -0.000 0.000 0.235 424 R C 0.315 176.568 176.300 -0.078 0.000 0.899 424 R CA 0.330 56.418 56.100 -0.019 0.000 1.048 424 R CB 1.338 31.605 30.300 -0.057 0.000 1.182 424 R HN 0.310 nan 8.270 nan 0.000 0.544 425 G N 0.464 109.231 108.800 -0.056 0.000 2.632 425 G HA2 0.507 4.467 3.960 -0.000 0.000 0.292 425 G HA3 0.507 4.467 3.960 -0.000 0.000 0.292 425 G C -2.081 172.938 174.900 0.199 0.000 1.465 425 G CA -0.436 44.618 45.100 -0.076 0.000 0.824 425 G HN -0.008 nan 8.290 nan 0.000 0.509 426 F N 0.617 120.623 119.950 0.094 0.000 2.615 426 F HA 0.789 5.317 4.527 0.000 0.000 0.312 426 F C -1.148 174.589 175.800 -0.105 0.000 1.119 426 F CA -0.942 57.040 58.000 -0.031 0.000 0.979 426 F CB 1.992 40.930 39.000 -0.103 0.000 1.266 426 F HN 0.529 nan 8.300 nan 0.000 0.444 427 I N 5.663 125.659 120.570 -0.958 0.000 2.647 427 I HA 0.762 4.932 4.170 -0.000 0.000 0.295 427 I C -1.771 173.637 176.117 -1.182 0.000 1.078 427 I CA -0.798 59.945 61.300 -0.930 0.000 1.048 427 I CB 1.980 39.396 38.000 -0.973 0.000 1.239 427 I HN 0.381 nan 8.210 nan 0.000 0.421 428 V N 6.689 126.019 119.914 -0.973 0.000 2.709 428 V HA 0.540 4.660 4.120 -0.000 0.000 0.308 428 V C -1.073 174.562 176.094 -0.766 0.000 1.062 428 V CA -0.538 61.266 62.300 -0.826 0.000 0.901 428 V CB 1.799 33.178 31.823 -0.739 0.000 1.003 428 V HN 0.479 nan 8.190 nan 0.000 0.425 429 F N 2.314 122.021 119.950 -0.405 0.000 2.551 429 F HA 0.607 5.134 4.527 0.000 0.000 0.316 429 F C 0.088 175.657 175.800 -0.386 0.000 1.089 429 F CA -0.670 57.158 58.000 -0.286 0.000 0.915 429 F CB 2.021 40.859 39.000 -0.269 0.000 1.186 429 F HN 0.477 nan 8.300 nan 0.000 0.456 430 N N 1.710 120.365 118.700 -0.076 0.000 2.573 430 N HA 0.211 4.951 4.740 -0.000 0.000 0.262 430 N C -0.971 174.459 175.510 -0.132 0.000 1.029 430 N CA -0.278 52.671 53.050 -0.168 0.000 0.882 430 N CB 0.622 39.051 38.487 -0.098 0.000 1.204 430 N HN 0.565 nan 8.380 nan 0.000 0.519 431 N N 1.956 120.532 118.700 -0.207 0.000 2.282 431 N HA 0.185 4.925 4.740 -0.000 0.000 0.240 431 N C -1.139 174.202 175.510 -0.281 0.000 1.182 431 N CA -0.181 52.746 53.050 -0.204 0.000 0.874 431 N CB 0.355 38.712 38.487 -0.217 0.000 1.126 431 N HN 0.499 nan 8.380 nan 0.000 0.516 432 D N -0.492 119.649 120.400 -0.432 0.000 2.332 432 D HA 0.160 4.800 4.640 -0.000 0.000 0.252 432 D C -0.179 175.820 176.300 -0.502 0.000 1.050 432 D CA -0.166 53.408 54.000 -0.711 0.000 0.970 432 D CB 1.034 40.892 40.800 -1.569 0.000 1.141 432 D HN 0.082 nan 8.370 nan 0.000 0.485 433 D N 1.006 121.213 120.400 -0.321 0.000 2.413 433 D HA 0.121 4.761 4.640 -0.000 0.000 0.237 433 D C -0.098 176.328 176.300 0.210 0.000 1.171 433 D CA 0.000 54.004 54.000 0.006 0.000 0.839 433 D CB -0.086 40.789 40.800 0.125 0.000 0.950 433 D HN 0.319 nan 8.370 nan 0.000 0.499 434 W N -1.152 120.184 121.300 0.061 0.000 3.075 434 W HA 0.510 5.170 4.660 -0.000 0.000 0.334 434 W C -0.573 176.005 176.519 0.097 0.000 1.243 434 W CA -1.032 56.354 57.345 0.069 0.000 1.170 434 W CB 0.054 29.553 29.460 0.064 0.000 1.452 434 W HN -0.410 nan 8.180 nan 0.000 0.572 435 S N 1.487 117.393 115.700 0.344 0.000 2.579 435 S HA 0.352 4.822 4.470 -0.000 0.000 0.275 435 S C -1.116 173.678 174.600 0.322 0.000 1.345 435 S CA -0.227 58.121 58.200 0.247 0.000 1.031 435 S CB 0.289 63.605 63.200 0.192 0.000 0.892 435 S HN 0.411 nan 8.310 nan 0.000 0.529 436 F N 2.189 122.194 119.950 0.092 0.000 2.449 436 F HA 0.566 5.093 4.527 -0.000 0.000 0.342 436 F C -0.076 175.765 175.800 0.068 0.000 1.127 436 F CA -0.426 57.627 58.000 0.087 0.000 0.975 436 F CB 1.290 40.304 39.000 0.023 0.000 1.146 436 F HN 0.423 nan 8.300 nan 0.000 0.444 437 S N 7.710 123.030 115.700 -0.632 0.000 2.737 437 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 437 S C -2.003 172.223 174.600 -0.623 0.000 1.150 437 S CA -0.448 57.451 58.200 -0.501 0.000 1.077 437 S CB 0.494 63.653 63.200 -0.068 0.000 1.075 437 S HN 0.815 nan 8.310 nan 0.000 0.476 438 L N 3.550 124.233 121.223 -0.899 0.000 2.710 438 L HA 0.656 4.996 4.340 -0.000 0.000 0.260 438 L C -0.866 175.821 176.870 -0.304 0.000 0.993 438 L CA -0.010 54.524 54.840 -0.510 0.000 0.877 438 L CB 2.109 43.791 42.059 -0.628 0.000 1.461 438 L HN 0.506 nan 8.230 nan 0.000 0.413 439 T N 4.336 118.876 114.554 -0.022 0.000 2.744 439 T HA 0.670 5.020 4.350 -0.000 0.000 0.291 439 T C -0.658 174.051 174.700 0.015 0.000 0.957 439 T CA -0.314 61.827 62.100 0.070 0.000 1.002 439 T CB 0.479 69.408 68.868 0.102 0.000 0.919 439 T HN 0.283 nan 8.240 nan 0.000 0.468 440 L N 2.676 123.950 121.223 0.085 0.000 2.319 440 L HA 0.556 4.896 4.340 -0.000 0.000 0.267 440 L C 0.144 176.982 176.870 -0.053 0.000 1.011 440 L CA -1.080 53.769 54.840 0.015 0.000 0.818 440 L CB 1.635 43.731 42.059 0.061 0.000 1.316 440 L HN 0.535 nan 8.230 nan 0.000 0.432 441 Q N 0.394 120.152 119.800 -0.070 0.000 2.314 441 Q HA 0.245 4.584 4.340 -0.000 0.000 0.257 441 Q C 0.638 176.447 176.000 -0.318 0.000 0.975 441 Q CA 0.151 55.888 55.803 -0.111 0.000 0.933 441 Q CB 1.172 29.904 28.738 -0.009 0.000 1.195 441 Q HN 0.772 nan 8.270 nan 0.000 0.426 442 T N 0.330 114.584 114.554 -0.500 0.000 3.040 442 T HA 0.267 4.617 4.350 -0.000 0.000 0.252 442 T C 1.290 175.818 174.700 -0.285 0.000 1.064 442 T CA 0.539 62.096 62.100 -0.904 0.000 1.110 442 T CB -0.100 68.247 68.868 -0.869 0.000 0.921 442 T HN 1.030 nan 8.240 nan 0.000 0.480 443 G N 1.030 109.744 108.800 -0.144 0.000 2.179 443 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.260 443 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.260 443 G C -0.227 174.657 174.900 -0.027 0.000 0.977 443 G CA 0.208 45.287 45.100 -0.034 0.000 0.641 443 G HN 0.584 nan 8.290 nan 0.000 0.533 444 L N 2.115 123.290 121.223 -0.079 0.000 2.379 444 L HA 0.598 4.938 4.340 -0.000 0.000 0.269 444 L C -1.334 175.557 176.870 0.035 0.000 1.084 444 L CA -2.242 52.574 54.840 -0.040 0.000 0.802 444 L CB 0.620 42.553 42.059 -0.211 0.000 1.175 444 L HN -0.039 nan 8.230 nan 0.000 0.448 445 P HA 0.160 nan 4.420 nan 0.000 0.275 445 P C -0.887 176.517 177.300 0.175 0.000 1.228 445 P CA -0.530 62.641 63.100 0.117 0.000 0.786 445 P CB 0.679 32.441 31.700 0.103 0.000 0.927 446 A N 2.023 124.907 122.820 0.106 0.000 2.586 446 A HA 0.448 4.768 4.320 -0.000 0.000 0.231 446 A C 0.891 178.541 177.584 0.110 0.000 1.055 446 A CA 1.226 53.328 52.037 0.108 0.000 0.756 446 A CB -1.080 17.953 19.000 0.054 0.000 0.988 446 A HN 0.931 nan 8.150 nan 0.000 0.509 447 G N -0.439 108.435 108.800 0.123 0.000 2.359 447 G HA2 0.448 4.408 3.960 -0.000 0.000 0.293 447 G HA3 0.448 4.408 3.960 -0.000 0.000 0.293 447 G C -0.761 174.154 174.900 0.026 0.000 1.300 447 G CA -0.178 44.916 45.100 -0.009 0.000 0.888 447 G HN 1.031 nan 8.290 nan 0.000 0.541 448 T N 1.014 115.492 114.554 -0.126 0.000 2.758 448 T HA 0.642 4.992 4.350 -0.000 0.000 0.285 448 T C -1.185 173.343 174.700 -0.287 0.000 0.981 448 T CA 0.094 62.129 62.100 -0.108 0.000 0.965 448 T CB 0.653 69.504 68.868 -0.029 0.000 0.927 448 T HN 0.382 nan 8.240 nan 0.000 0.448 449 Y N 0.627 120.800 120.300 -0.212 0.000 2.429 449 Y HA 0.435 4.985 4.550 -0.000 0.000 0.342 449 Y C 0.488 176.266 175.900 -0.203 0.000 1.004 449 Y CA -1.168 56.826 58.100 -0.177 0.000 1.075 449 Y CB 0.990 39.369 38.460 -0.134 0.000 1.214 449 Y HN 0.563 nan 8.280 nan 0.000 0.455 450 c N 2.257 120.842 118.600 -0.026 0.000 2.514 450 c HA 0.167 4.737 4.570 -0.000 0.000 0.392 450 c C 0.331 174.392 174.090 -0.050 0.000 1.294 450 c CA -0.665 55.625 56.329 -0.066 0.000 1.957 450 c CB -0.407 42.059 42.510 -0.073 0.000 2.541 450 c HN 0.768 nan 8.230 nan 0.000 0.569 451 D N 1.642 122.008 120.400 -0.057 0.000 2.343 451 D HA 0.167 4.807 4.640 -0.000 0.000 0.255 451 D C 0.987 177.253 176.300 -0.056 0.000 1.187 451 D CA -0.310 53.659 54.000 -0.051 0.000 0.875 451 D CB 0.996 41.757 40.800 -0.066 0.000 1.136 451 D HN 0.426 nan 8.370 nan 0.000 0.469 452 V N 2.567 122.461 119.914 -0.033 0.000 3.573 452 V HA 0.006 4.126 4.120 -0.000 0.000 0.270 452 V C 1.488 177.563 176.094 -0.031 0.000 1.221 452 V CA 0.317 62.620 62.300 0.006 0.000 1.163 452 V CB -0.675 31.218 31.823 0.118 0.000 0.847 452 V HN 0.513 nan 8.190 nan 0.000 0.468 453 I N 2.170 122.657 120.570 -0.139 0.000 2.385 453 I HA -0.025 4.145 4.170 -0.000 0.000 0.244 453 I C 2.770 178.780 176.117 -0.178 0.000 1.089 453 I CA 1.906 63.054 61.300 -0.253 0.000 1.410 453 I CB -1.140 36.477 38.000 -0.638 0.000 1.117 453 I HN 0.567 nan 8.210 nan 0.000 0.429 454 S N -0.112 115.492 115.700 -0.160 0.000 2.461 454 S HA 0.213 4.683 4.470 -0.000 0.000 0.228 454 S C 1.102 175.667 174.600 -0.059 0.000 1.005 454 S CA 0.503 58.640 58.200 -0.105 0.000 0.942 454 S CB -0.153 62.990 63.200 -0.095 0.000 0.776 454 S HN 0.446 nan 8.310 nan 0.000 0.514 455 G N -0.240 108.531 108.800 -0.047 0.000 2.753 455 G HA2 0.561 4.521 3.960 -0.000 0.000 0.303 455 G HA3 0.561 4.521 3.960 -0.000 0.000 0.303 455 G C -2.184 172.713 174.900 -0.005 0.000 1.242 455 G CA -0.590 44.497 45.100 -0.022 0.000 0.810 455 G HN 0.193 nan 8.290 nan 0.000 0.515 456 D N -0.402 119.998 120.400 0.000 0.000 2.552 456 D HA 0.323 4.963 4.640 -0.000 0.000 0.239 456 D C -0.996 175.301 176.300 -0.004 0.000 1.139 456 D CA -0.543 53.464 54.000 0.012 0.000 0.914 456 D CB 2.805 43.624 40.800 0.031 0.000 1.461 456 D HN 0.338 nan 8.370 nan 0.000 0.462 457 K N 1.714 122.111 120.400 -0.005 0.000 2.248 457 K HA 0.428 4.748 4.320 -0.000 0.000 0.281 457 K C -0.898 175.699 176.600 -0.006 0.000 1.054 457 K CA -0.302 55.974 56.287 -0.020 0.000 0.903 457 K CB 0.396 32.876 32.500 -0.033 0.000 1.077 457 K HN 0.400 nan 8.250 nan 0.000 0.474 458 I N 6.196 126.761 120.570 -0.008 0.000 2.495 458 I HA 0.058 4.228 4.170 -0.000 0.000 0.277 458 I C -0.436 175.677 176.117 -0.006 0.000 1.045 458 I CA -0.797 60.502 61.300 -0.001 0.000 1.135 458 I CB 0.953 38.955 38.000 0.005 0.000 1.241 458 I HN 0.847 nan 8.210 nan 0.000 0.469 459 N N 4.328 123.024 118.700 -0.008 0.000 2.556 459 N HA -0.218 4.522 4.740 -0.000 0.000 0.288 459 N C 0.578 176.078 175.510 -0.016 0.000 1.226 459 N CA 0.848 53.892 53.050 -0.011 0.000 0.719 459 N CB -1.278 37.206 38.487 -0.006 0.000 0.923 459 N HN 1.074 nan 8.380 nan 0.000 0.544 460 G N -0.024 108.761 108.800 -0.025 0.000 2.168 460 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.263 460 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.263 460 G C -0.183 174.700 174.900 -0.028 0.000 0.977 460 G CA 0.697 45.779 45.100 -0.030 0.000 0.659 460 G HN 0.905 nan 8.290 nan 0.000 0.533 461 N N -1.250 117.435 118.700 -0.027 0.000 2.396 461 N HA 0.490 5.230 4.740 -0.000 0.000 0.275 461 N C -0.680 174.814 175.510 -0.028 0.000 1.218 461 N CA 0.025 53.061 53.050 -0.024 0.000 0.812 461 N CB 1.692 40.171 38.487 -0.014 0.000 1.592 461 N HN 0.153 nan 8.380 nan 0.000 0.480 462 c N 0.413 118.993 118.600 -0.032 0.000 2.358 462 c HA 0.448 5.018 4.570 -0.000 0.000 0.342 462 c C 1.980 176.056 174.090 -0.024 0.000 1.234 462 c CA -0.532 55.776 56.329 -0.036 0.000 1.969 462 c CB 0.612 43.089 42.510 -0.055 0.000 2.346 462 c HN 0.833 nan 8.230 nan 0.000 0.525 463 T N -0.955 113.587 114.554 -0.019 0.000 3.081 463 T HA 0.322 4.672 4.350 -0.000 0.000 0.250 463 T C 0.795 175.484 174.700 -0.019 0.000 1.100 463 T CA 0.601 62.693 62.100 -0.013 0.000 1.038 463 T CB 0.126 68.990 68.868 -0.005 0.000 0.962 463 T HN 0.883 nan 8.240 nan 0.000 0.516 464 G N 0.768 109.550 108.800 -0.029 0.000 3.252 464 G HA2 0.663 4.623 3.960 -0.000 0.000 0.181 464 G HA3 0.663 4.623 3.960 -0.000 0.000 0.181 464 G C -0.716 174.157 174.900 -0.044 0.000 1.187 464 G CA -1.272 43.806 45.100 -0.036 0.000 0.886 464 G HN 0.391 nan 8.290 nan 0.000 0.615 465 I N 0.879 121.417 120.570 -0.053 0.000 2.813 465 I HA 0.162 4.332 4.170 -0.000 0.000 0.287 465 I C 0.059 176.116 176.117 -0.100 0.000 1.196 465 I CA 0.580 61.843 61.300 -0.062 0.000 1.421 465 I CB 0.764 38.731 38.000 -0.055 0.000 1.365 465 I HN 0.188 nan 8.210 nan 0.000 0.591 466 K N 6.190 126.500 120.400 -0.151 0.000 2.316 466 K HA 0.626 4.946 4.320 -0.000 0.000 0.251 466 K C -1.196 175.126 176.600 -0.463 0.000 0.934 466 K CA -0.775 55.334 56.287 -0.297 0.000 0.802 466 K CB 2.354 34.648 32.500 -0.344 0.000 1.171 466 K HN 0.301 nan 8.250 nan 0.000 0.426 467 I N 2.843 123.119 120.570 -0.490 0.000 2.474 467 I HA 0.294 4.464 4.170 -0.000 0.000 0.294 467 I C -0.893 174.900 176.117 -0.540 0.000 1.005 467 I CA -0.907 60.100 61.300 -0.488 0.000 1.113 467 I CB 1.199 38.993 38.000 -0.343 0.000 1.289 467 I HN 0.543 nan 8.210 nan 0.000 0.436 468 Y N 4.533 124.773 120.300 -0.100 0.000 2.334 468 Y HA 0.463 5.013 4.550 -0.000 0.000 0.336 468 Y C 0.201 176.068 175.900 -0.055 0.000 0.960 468 Y CA -0.914 57.164 58.100 -0.037 0.000 1.164 468 Y CB 1.576 40.004 38.460 -0.053 0.000 1.155 468 Y HN 0.163 nan 8.280 nan 0.000 0.478 469 V N 3.857 123.858 119.914 0.145 0.000 2.407 469 V HA 0.366 4.486 4.120 -0.000 0.000 0.278 469 V C 0.278 176.421 176.094 0.081 0.000 1.037 469 V CA -0.821 61.520 62.300 0.068 0.000 0.900 469 V CB 1.032 32.905 31.823 0.083 0.000 0.983 469 V HN 0.902 nan 8.190 nan 0.000 0.459 470 S N 2.539 118.258 115.700 0.033 0.000 2.652 470 S HA 0.203 4.673 4.470 -0.000 0.000 0.267 470 S C 0.755 175.367 174.600 0.020 0.000 1.201 470 S CA -0.428 57.786 58.200 0.023 0.000 0.996 470 S CB 0.712 63.914 63.200 0.003 0.000 1.054 470 S HN 0.645 nan 8.310 nan 0.000 0.561 471 D N 0.642 121.049 120.400 0.012 0.000 2.218 471 D HA -0.052 4.588 4.640 -0.000 0.000 0.204 471 D C 1.168 177.472 176.300 0.007 0.000 0.976 471 D CA 1.296 55.303 54.000 0.011 0.000 0.853 471 D CB -0.614 40.190 40.800 0.006 0.000 0.939 471 D HN 0.618 nan 8.370 nan 0.000 0.481 472 D N -0.805 119.596 120.400 0.001 0.000 2.219 472 D HA 0.074 4.714 4.640 -0.000 0.000 0.205 472 D C 1.693 177.986 176.300 -0.011 0.000 0.970 472 D CA 1.514 55.512 54.000 -0.003 0.000 0.851 472 D CB -0.012 40.785 40.800 -0.005 0.000 0.943 472 D HN 0.299 nan 8.370 nan 0.000 0.488 473 G N -0.349 108.440 108.800 -0.019 0.000 2.179 473 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.220 473 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.220 473 G C 0.238 175.084 174.900 -0.089 0.000 0.990 473 G CA -0.198 44.874 45.100 -0.046 0.000 0.646 473 G HN 0.288 nan 8.290 nan 0.000 0.517 474 K N 0.544 120.909 120.400 -0.058 0.000 2.154 474 K HA 0.719 5.039 4.320 -0.000 0.000 0.264 474 K C 0.166 176.728 176.600 -0.064 0.000 1.008 474 K CA 0.365 56.616 56.287 -0.060 0.000 0.937 474 K CB 1.548 34.033 32.500 -0.025 0.000 1.002 474 K HN 0.871 nan 8.250 nan 0.000 0.469 475 A N 1.543 124.326 122.820 -0.062 0.000 2.566 475 A HA 0.272 4.592 4.320 -0.000 0.000 0.297 475 A C -1.883 175.597 177.584 -0.173 0.000 1.059 475 A CA -0.730 51.214 52.037 -0.154 0.000 0.691 475 A CB 0.946 19.756 19.000 -0.316 0.000 1.282 475 A HN 0.840 nan 8.150 nan 0.000 0.401 476 H N 0.512 119.396 119.070 -0.310 0.000 2.527 476 H HA 0.695 5.250 4.556 -0.000 0.000 0.321 476 H C -1.520 173.550 175.328 -0.431 0.000 1.087 476 H CA 0.027 55.941 56.048 -0.224 0.000 1.337 476 H CB 0.373 30.055 29.762 -0.134 0.000 1.440 476 H HN 0.410 nan 8.280 nan 0.000 0.490 477 F N 2.426 122.045 119.950 -0.551 0.000 2.507 477 F HA 0.349 4.876 4.527 -0.000 0.000 0.325 477 F C -0.070 175.501 175.800 -0.381 0.000 1.116 477 F CA -0.694 57.157 58.000 -0.250 0.000 0.930 477 F CB 2.109 41.154 39.000 0.075 0.000 1.146 477 F HN 0.425 nan 8.300 nan 0.000 0.447 478 S N 4.823 120.542 115.700 0.031 0.000 2.707 478 S HA 0.755 5.225 4.470 -0.000 0.000 0.312 478 S C -1.061 173.631 174.600 0.153 0.000 1.116 478 S CA -0.379 57.852 58.200 0.051 0.000 1.078 478 S CB 0.116 63.368 63.200 0.088 0.000 0.997 478 S HN 0.517 nan 8.310 nan 0.000 0.477 479 I N 3.671 124.378 120.570 0.228 0.000 2.468 479 I HA 0.322 4.492 4.170 -0.000 0.000 0.284 479 I C 0.132 176.344 176.117 0.157 0.000 1.038 479 I CA -0.598 60.813 61.300 0.185 0.000 1.083 479 I CB 1.994 40.108 38.000 0.190 0.000 1.223 479 I HN 0.542 nan 8.210 nan 0.000 0.443 480 S N 4.493 120.255 115.700 0.105 0.000 2.584 480 S HA 0.137 4.607 4.470 -0.000 0.000 0.273 480 S C 1.347 175.988 174.600 0.068 0.000 1.311 480 S CA -0.675 57.580 58.200 0.092 0.000 1.034 480 S CB 0.678 63.922 63.200 0.075 0.000 0.939 480 S HN 0.744 nan 8.310 nan 0.000 0.513 481 N N 3.073 121.808 118.700 0.059 0.000 2.609 481 N HA -0.055 4.685 4.740 -0.000 0.000 0.190 481 N C 0.688 176.220 175.510 0.036 0.000 1.157 481 N CA 0.480 53.546 53.050 0.027 0.000 0.918 481 N CB -0.243 38.253 38.487 0.015 0.000 0.978 481 N HN 0.383 nan 8.380 nan 0.000 0.448 482 S N -0.361 115.367 115.700 0.046 0.000 2.556 482 S HA 0.324 4.794 4.470 -0.000 0.000 0.216 482 S C 0.880 175.502 174.600 0.035 0.000 0.970 482 S CA -0.349 57.875 58.200 0.040 0.000 0.912 482 S CB 0.177 63.403 63.200 0.042 0.000 0.790 482 S HN 0.624 nan 8.310 nan 0.000 0.504 483 A N 1.682 124.524 122.820 0.037 0.000 2.483 483 A HA 0.169 4.489 4.320 -0.000 0.000 0.238 483 A C 1.078 178.680 177.584 0.029 0.000 1.070 483 A CA -0.112 51.942 52.037 0.029 0.000 0.770 483 A CB 0.193 19.210 19.000 0.028 0.000 1.008 483 A HN 0.425 nan 8.150 nan 0.000 0.497 484 E N 0.565 120.773 120.200 0.014 0.000 2.058 484 E HA -0.139 4.211 4.350 -0.000 0.000 0.194 484 E C -0.433 176.192 176.600 0.041 0.000 0.997 484 E CA 1.325 57.734 56.400 0.016 0.000 0.801 484 E CB 0.062 29.757 29.700 -0.008 0.000 0.746 484 E HN 0.667 nan 8.360 nan 0.000 0.450 485 D N 0.435 120.850 120.400 0.025 0.000 2.454 485 D HA 0.107 4.747 4.640 -0.000 0.000 0.247 485 D C -2.234 174.112 176.300 0.077 0.000 1.129 485 D CA -1.453 52.591 54.000 0.074 0.000 0.877 485 D CB 1.475 42.215 40.800 -0.100 0.000 1.082 485 D HN 0.024 nan 8.370 nan 0.000 0.537 486 P HA 0.063 nan 4.420 nan 0.000 0.261 486 P C -0.781 176.667 177.300 0.246 0.000 1.650 486 P CA -0.096 63.101 63.100 0.162 0.000 0.846 486 P CB -0.843 30.923 31.700 0.110 0.000 1.758 487 F N -1.587 118.301 119.950 -0.104 0.000 2.678 487 F HA 0.639 5.166 4.527 0.000 0.000 0.308 487 F C -1.629 174.020 175.800 -0.251 0.000 1.118 487 F CA -2.156 55.683 58.000 -0.269 0.000 0.959 487 F CB 0.743 39.483 39.000 -0.434 0.000 1.305 487 F HN -0.311 nan 8.300 nan 0.000 0.443 488 I N 2.393 122.781 120.570 -0.303 0.000 2.498 488 I HA 0.791 4.961 4.170 -0.000 0.000 0.290 488 I C -0.761 175.209 176.117 -0.245 0.000 1.032 488 I CA -1.140 60.012 61.300 -0.246 0.000 1.073 488 I CB 2.020 40.024 38.000 0.007 0.000 1.251 488 I HN 1.012 nan 8.210 nan 0.000 0.426 489 A N 7.727 130.447 122.820 -0.167 0.000 2.374 489 A HA 0.907 5.227 4.320 -0.000 0.000 0.305 489 A C -0.847 176.812 177.584 0.125 0.000 1.053 489 A CA -0.493 51.511 52.037 -0.055 0.000 0.726 489 A CB 1.309 20.218 19.000 -0.153 0.000 1.229 489 A HN 0.724 nan 8.150 nan 0.000 0.431 490 I N 0.058 120.764 120.570 0.227 0.000 2.730 490 I HA 0.934 5.104 4.170 -0.000 0.000 0.298 490 I C -0.714 175.492 176.117 0.147 0.000 1.089 490 I CA -0.951 60.414 61.300 0.109 0.000 1.041 490 I CB 2.422 40.423 38.000 0.002 0.000 1.235 490 I HN 0.942 nan 8.210 nan 0.000 0.423 491 H N 2.617 121.751 119.070 0.106 0.000 2.990 491 H HA 0.727 5.283 4.556 -0.000 0.000 0.336 491 H C 0.446 175.856 175.328 0.137 0.000 1.306 491 H CA -0.389 55.637 56.048 -0.037 0.000 1.118 491 H CB 1.204 30.773 29.762 -0.321 0.000 1.856 491 H HN 0.674 nan 8.280 nan 0.000 0.538 492 A N 0.195 123.173 122.820 0.262 0.000 1.971 492 A HA -0.231 4.089 4.320 -0.000 0.000 0.222 492 A C 1.555 179.248 177.584 0.181 0.000 1.182 492 A CA 2.120 54.294 52.037 0.228 0.000 0.649 492 A CB -0.659 18.409 19.000 0.113 0.000 0.818 492 A HN 0.725 nan 8.150 nan 0.000 0.458 493 E N -0.318 120.071 120.200 0.316 0.000 2.479 493 E HA 0.008 4.358 4.350 -0.000 0.000 0.193 493 E C 1.506 178.134 176.600 0.048 0.000 1.049 493 E CA 0.835 57.351 56.400 0.194 0.000 0.870 493 E CB 0.002 29.840 29.700 0.230 0.000 0.944 493 E HN 0.742 nan 8.360 nan 0.000 0.492 494 S N 0.023 115.618 115.700 -0.176 0.000 2.568 494 S HA 0.129 4.599 4.470 -0.000 0.000 0.232 494 S C 0.743 175.256 174.600 -0.145 0.000 0.975 494 S CA -0.498 57.565 58.200 -0.228 0.000 0.949 494 S CB 0.100 63.027 63.200 -0.456 0.000 0.829 494 S HN -0.121 nan 8.310 nan 0.000 0.479 495 K N 1.783 122.076 120.400 -0.178 0.000 2.368 495 K HA 0.379 4.699 4.320 -0.000 0.000 0.282 495 K C -0.168 176.250 176.600 -0.303 0.000 1.035 495 K CA -0.619 55.380 56.287 -0.479 0.000 0.973 495 K CB 0.108 32.317 32.500 -0.486 0.000 0.957 495 K HN 0.182 nan 8.250 nan 0.000 0.474 496 L N 0.000 121.033 121.223 -0.316 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.731 54.840 -0.182 0.000 0.813 496 L CB 0.000 41.973 42.059 -0.144 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502