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 1xcx_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 ALVFVDNHDN 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 0.000 175.962 175.900 0.103 0.000 1.272 2 Y CA 0.000 58.183 58.100 0.138 0.000 1.940 2 Y CB 0.000 38.481 38.460 0.035 0.000 1.050 3 S N 4.120 119.884 115.700 0.107 0.000 2.523 3 S HA 0.215 4.684 4.470 -0.000 0.000 0.275 3 S C -1.869 172.454 174.600 -0.461 0.000 1.281 3 S CA -0.779 57.333 58.200 -0.147 0.000 1.050 3 S CB 1.329 64.481 63.200 -0.080 0.000 0.937 3 S HN 0.005 nan 8.310 nan 0.000 0.492 4 P HA -0.013 nan 4.420 nan 0.000 0.222 4 P C 0.090 177.148 177.300 -0.404 0.000 1.147 4 P CA 0.540 62.780 63.100 -1.433 0.000 0.790 4 P CB 0.005 30.746 31.700 -1.598 0.000 0.780 5 N N -2.539 116.041 118.700 -0.200 0.000 2.829 5 N HA -0.100 4.640 4.740 -0.000 0.000 0.250 5 N C -0.111 175.465 175.510 0.110 0.000 1.090 5 N CA 1.432 54.500 53.050 0.029 0.000 0.781 5 N CB -2.276 36.255 38.487 0.074 0.000 1.124 5 N HN 0.321 nan 8.380 nan 0.000 0.559 6 T N -2.426 112.143 114.554 0.025 0.000 2.828 6 T HA 0.273 4.623 4.350 -0.000 0.000 0.290 6 T C 0.523 175.246 174.700 0.038 0.000 1.019 6 T CA -0.470 61.672 62.100 0.070 0.000 1.031 6 T CB 1.862 70.781 68.868 0.086 0.000 1.001 6 T HN 0.163 nan 8.240 nan 0.000 0.531 7 Q N 0.585 120.399 119.800 0.024 0.000 2.364 7 Q HA 0.066 4.406 4.340 -0.000 0.000 0.267 7 Q C 0.226 176.227 176.000 0.002 0.000 0.999 7 Q CA -0.260 55.543 55.803 0.000 0.000 0.886 7 Q CB 0.540 29.268 28.738 -0.016 0.000 1.243 7 Q HN 0.696 nan 8.270 nan 0.000 0.415 8 Q N 1.538 121.335 119.800 -0.004 0.000 2.269 8 Q HA 0.049 4.389 4.340 -0.000 0.000 0.300 8 Q C 0.427 176.419 176.000 -0.013 0.000 1.070 8 Q CA 1.235 57.034 55.803 -0.007 0.000 0.957 8 Q CB 0.015 28.748 28.738 -0.008 0.000 1.131 8 Q HN 0.964 nan 8.270 nan 0.000 0.377 9 G N 3.907 112.698 108.800 -0.015 0.000 2.179 9 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 9 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 9 G C -0.215 174.663 174.900 -0.037 0.000 0.990 9 G CA -0.150 44.932 45.100 -0.030 0.000 0.646 9 G HN 0.595 nan 8.290 nan 0.000 0.517 10 R N 0.676 121.166 120.500 -0.016 0.000 2.343 10 R HA 0.552 4.892 4.340 -0.000 0.000 0.320 10 R C 0.993 177.302 176.300 0.016 0.000 0.956 10 R CA 0.205 56.293 56.100 -0.020 0.000 0.836 10 R CB 1.134 31.439 30.300 0.008 0.000 1.151 10 R HN 0.284 nan 8.270 nan 0.000 0.450 11 T N -2.575 111.951 114.554 -0.047 0.000 3.085 11 T HA 0.230 4.580 4.350 -0.000 0.000 0.264 11 T C 0.418 174.907 174.700 -0.352 0.000 1.019 11 T CA -0.203 61.861 62.100 -0.060 0.000 0.910 11 T CB 0.422 69.237 68.868 -0.089 0.000 1.059 11 T HN 0.258 nan 8.240 nan 0.000 0.542 12 S N 1.282 116.806 115.700 -0.294 0.000 2.595 12 S HA 0.785 5.255 4.470 -0.000 0.000 0.281 12 S C -0.741 173.795 174.600 -0.106 0.000 1.117 12 S CA -1.081 56.865 58.200 -0.425 0.000 0.873 12 S CB 1.799 64.815 63.200 -0.307 0.000 1.108 12 S HN 0.582 nan 8.310 nan 0.000 0.477 13 I N -0.940 119.580 120.570 -0.083 0.000 2.740 13 I HA 0.917 5.086 4.170 -0.000 0.000 0.303 13 I C -0.977 175.204 176.117 0.107 0.000 1.044 13 I CA -1.056 60.317 61.300 0.122 0.000 1.064 13 I CB 1.771 39.864 38.000 0.154 0.000 1.249 13 I HN 0.443 nan 8.210 nan 0.000 0.433 14 V N 3.460 123.446 119.914 0.120 0.000 2.680 14 V HA 0.429 4.549 4.120 -0.000 0.000 0.309 14 V C -1.120 174.989 176.094 0.026 0.000 1.052 14 V CA -0.353 61.966 62.300 0.032 0.000 0.908 14 V CB 1.661 33.400 31.823 -0.140 0.000 1.001 14 V HN 0.886 nan 8.190 nan 0.000 0.431 15 H N 6.649 125.670 119.070 -0.082 0.000 2.820 15 H HA 0.422 4.978 4.556 -0.000 0.000 0.278 15 H C -0.443 174.807 175.328 -0.130 0.000 1.142 15 H CA -0.550 55.473 56.048 -0.041 0.000 1.346 15 H CB 0.476 30.245 29.762 0.011 0.000 1.438 15 H HN 0.615 nan 8.280 nan 0.000 0.473 16 L N 6.954 128.035 121.223 -0.236 0.000 2.399 16 L HA 0.098 4.438 4.340 -0.000 0.000 0.257 16 L C 0.050 176.762 176.870 -0.264 0.000 1.236 16 L CA -0.637 53.777 54.840 -0.710 0.000 1.144 16 L CB -0.680 40.660 42.059 -1.198 0.000 1.379 16 L HN 0.477 nan 8.230 nan 0.000 0.414 17 F N 4.460 124.133 119.950 -0.462 0.000 2.571 17 F HA -0.040 4.486 4.527 -0.000 0.000 0.390 17 F C 1.357 177.372 175.800 0.359 0.000 1.043 17 F CA 0.266 58.099 58.000 -0.278 0.000 1.164 17 F CB -0.144 38.623 39.000 -0.388 0.000 1.049 17 F HN 0.519 nan 8.300 nan 0.000 0.552 18 E N 2.425 122.632 120.200 0.013 0.000 3.496 18 E HA -0.302 4.048 4.350 -0.000 0.000 0.300 18 E C -0.469 176.254 176.600 0.204 0.000 0.877 18 E CA 0.889 57.286 56.400 -0.005 0.000 1.050 18 E CB -1.693 27.873 29.700 -0.223 0.000 1.532 18 E HN 0.631 nan 8.360 nan 0.000 0.447 19 W N 1.527 122.777 121.300 -0.084 0.000 2.150 19 W HA 0.195 4.855 4.660 -0.000 0.000 0.341 19 W C 1.503 177.871 176.519 -0.251 0.000 1.276 19 W CA 0.060 57.251 57.345 -0.256 0.000 1.238 19 W CB 0.271 29.584 29.460 -0.245 0.000 1.128 19 W HN -0.100 nan 8.180 nan 0.000 0.581 20 R N 1.594 122.026 120.500 -0.114 0.000 2.490 20 R HA 0.121 4.460 4.340 -0.000 0.000 0.278 20 R C 1.024 177.368 176.300 0.073 0.000 1.069 20 R CA -0.440 55.528 56.100 -0.221 0.000 1.080 20 R CB 0.578 30.761 30.300 -0.196 0.000 1.030 20 R HN 0.690 nan 8.270 nan 0.000 0.491 21 W N 0.750 122.102 121.300 0.087 0.000 2.338 21 W HA -0.239 4.421 4.660 -0.000 0.000 0.304 21 W C 1.951 178.490 176.519 0.033 0.000 1.212 21 W CA 0.226 57.617 57.345 0.077 0.000 1.264 21 W CB -0.292 29.234 29.460 0.110 0.000 1.142 21 W HN 0.439 nan 8.180 nan 0.000 0.512 22 V N 1.106 121.161 119.914 0.236 0.000 2.407 22 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 22 V C 1.750 177.895 176.094 0.085 0.000 1.055 22 V CA 2.390 64.764 62.300 0.124 0.000 1.049 22 V CB -0.524 31.338 31.823 0.066 0.000 0.662 22 V HN 0.071 nan 8.190 nan 0.000 0.455 23 D N -0.154 120.283 120.400 0.061 0.000 2.149 23 D HA -0.067 4.572 4.640 -0.000 0.000 0.201 23 D C 2.071 178.504 176.300 0.221 0.000 0.972 23 D CA 1.684 55.706 54.000 0.035 0.000 0.835 23 D CB -0.046 40.632 40.800 -0.203 0.000 0.966 23 D HN 0.510 nan 8.370 nan 0.000 0.476 24 I N 1.260 122.002 120.570 0.287 0.000 2.252 24 I HA -0.204 3.965 4.170 -0.000 0.000 0.245 24 I C 2.558 178.730 176.117 0.092 0.000 1.102 24 I CA 0.672 62.100 61.300 0.214 0.000 1.385 24 I CB -0.203 37.916 38.000 0.198 0.000 1.064 24 I HN -0.102 nan 8.210 nan 0.000 0.414 25 A N 1.289 124.157 122.820 0.081 0.000 1.883 25 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 25 A C 2.305 179.909 177.584 0.033 0.000 1.186 25 A CA 1.544 53.594 52.037 0.022 0.000 0.624 25 A CB -0.916 18.099 19.000 0.024 0.000 0.822 25 A HN 0.367 nan 8.150 nan 0.000 0.444 26 L N -1.144 120.114 121.223 0.058 0.000 2.046 26 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 26 L C 2.675 179.593 176.870 0.081 0.000 1.077 26 L CA 1.769 56.644 54.840 0.058 0.000 0.747 26 L CB -0.459 41.630 42.059 0.050 0.000 0.896 26 L HN 0.453 nan 8.230 nan 0.000 0.432 27 E N -0.371 119.899 120.200 0.116 0.000 2.110 27 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 27 E C 2.255 178.906 176.600 0.085 0.000 0.988 27 E CA 1.420 57.902 56.400 0.137 0.000 0.804 27 E CB -0.248 29.550 29.700 0.163 0.000 0.745 27 E HN 0.428 nan 8.360 nan 0.000 0.458 28 c N 0.544 119.162 118.600 0.029 0.000 2.413 28 c HA -0.124 4.446 4.570 -0.000 0.000 0.276 28 c C 2.352 176.457 174.090 0.024 0.000 1.236 28 c CA 1.283 57.612 56.329 0.000 0.000 1.735 28 c CB -0.883 41.600 42.510 -0.045 0.000 2.031 28 c HN 0.543 nan 8.230 nan 0.000 0.474 29 E N 0.393 120.611 120.200 0.030 0.000 2.051 29 E HA -0.155 4.195 4.350 -0.000 0.000 0.189 29 E C 2.350 178.984 176.600 0.057 0.000 0.979 29 E CA 0.934 57.353 56.400 0.032 0.000 0.803 29 E CB -0.255 29.460 29.700 0.025 0.000 0.761 29 E HN 0.701 nan 8.360 nan 0.000 0.451 30 R N -0.815 119.738 120.500 0.088 0.000 2.200 30 R HA -0.026 4.314 4.340 -0.000 0.000 0.208 30 R C 1.257 177.672 176.300 0.192 0.000 1.033 30 R CA 1.058 57.229 56.100 0.118 0.000 1.000 30 R CB 0.015 30.387 30.300 0.119 0.000 0.906 30 R HN 0.223 nan 8.270 nan 0.000 0.462 31 Y N 0.197 120.522 120.300 0.042 0.000 3.116 31 Y HA 0.264 4.814 4.550 -0.000 0.000 0.220 31 Y C 1.862 177.805 175.900 0.072 0.000 0.965 31 Y CA -0.177 57.956 58.100 0.054 0.000 1.476 31 Y CB 0.169 38.655 38.460 0.044 0.000 1.493 31 Y HN -0.177 nan 8.280 nan 0.000 0.423 32 L N 0.485 121.801 121.223 0.155 0.000 2.013 32 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 32 L C 2.604 179.560 176.870 0.143 0.000 1.073 32 L CA 1.776 56.673 54.840 0.094 0.000 0.753 32 L CB -1.058 41.001 42.059 -0.001 0.000 0.890 32 L HN 0.390 nan 8.230 nan 0.000 0.432 33 A N 0.252 123.112 122.820 0.065 0.000 1.858 33 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 33 A C 0.158 177.753 177.584 0.019 0.000 1.190 33 A CA 1.586 53.647 52.037 0.040 0.000 0.617 33 A CB -1.825 17.182 19.000 0.013 0.000 0.827 33 A HN 0.298 nan 8.150 nan 0.000 0.443 34 P HA -0.104 nan 4.420 nan 0.000 0.216 34 P C 0.773 178.036 177.300 -0.063 0.000 1.150 34 P CA 1.253 64.331 63.100 -0.036 0.000 0.837 34 P CB 0.025 31.698 31.700 -0.045 0.000 0.786 35 K N -1.413 118.931 120.400 -0.094 0.000 2.458 35 K HA 0.319 4.639 4.320 -0.000 0.000 0.194 35 K C 1.096 177.684 176.600 -0.020 0.000 1.024 35 K CA 0.491 56.731 56.287 -0.079 0.000 1.108 35 K CB -0.928 31.446 32.500 -0.210 0.000 0.846 35 K HN 0.114 nan 8.250 nan 0.000 0.518 36 G N 0.581 109.385 108.800 0.007 0.000 2.160 36 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 36 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 36 G C -0.274 174.562 174.900 -0.107 0.000 1.022 36 G CA -0.376 44.689 45.100 -0.058 0.000 0.741 36 G HN 0.196 nan 8.290 nan 0.000 0.508 37 F N 0.407 120.342 119.950 -0.024 0.000 2.412 37 F HA 0.516 5.042 4.527 -0.000 0.000 0.348 37 F C 1.784 177.589 175.800 0.009 0.000 1.102 37 F CA 0.772 58.772 58.000 -0.000 0.000 1.196 37 F CB 1.447 40.460 39.000 0.020 0.000 1.144 37 F HN -0.001 nan 8.300 nan 0.000 0.541 38 G N 1.450 110.344 108.800 0.157 0.000 2.430 38 G HA2 0.395 4.355 3.960 -0.000 0.000 0.216 38 G HA3 0.395 4.355 3.960 -0.000 0.000 0.216 38 G C 0.490 175.517 174.900 0.212 0.000 1.146 38 G CA 0.674 45.869 45.100 0.158 0.000 0.793 38 G HN 1.012 nan 8.290 nan 0.000 0.537 39 G N -2.069 106.890 108.800 0.265 0.000 2.488 39 G HA2 0.463 4.423 3.960 -0.000 0.000 0.301 39 G HA3 0.463 4.423 3.960 -0.000 0.000 0.301 39 G C -2.202 172.840 174.900 0.236 0.000 1.339 39 G CA -0.258 45.010 45.100 0.279 0.000 0.803 39 G HN 0.474 nan 8.290 nan 0.000 0.482 40 V N 0.270 120.306 119.914 0.203 0.000 2.709 40 V HA 0.583 4.703 4.120 -0.000 0.000 0.308 40 V C -0.264 175.981 176.094 0.252 0.000 1.062 40 V CA -0.677 61.699 62.300 0.127 0.000 0.901 40 V CB 1.721 33.523 31.823 -0.035 0.000 1.003 40 V HN 0.865 nan 8.190 nan 0.000 0.425 41 Q N 3.264 123.221 119.800 0.261 0.000 2.303 41 Q HA 0.643 4.983 4.340 -0.000 0.000 0.257 41 Q C -0.703 175.492 176.000 0.325 0.000 0.941 41 Q CA -0.468 55.515 55.803 0.300 0.000 0.931 41 Q CB 1.843 30.698 28.738 0.195 0.000 1.215 41 Q HN 0.807 nan 8.270 nan 0.000 0.437 42 V N 1.127 121.218 119.914 0.296 0.000 2.834 42 V HA 0.602 4.721 4.120 -0.000 0.000 0.313 42 V C 0.081 176.445 176.094 0.451 0.000 1.060 42 V CA -0.813 61.725 62.300 0.397 0.000 0.989 42 V CB 1.664 33.701 31.823 0.358 0.000 1.041 42 V HN 0.765 nan 8.190 nan 0.000 0.459 43 S N 2.700 118.718 115.700 0.530 0.000 2.600 43 S HA 0.367 4.837 4.470 -0.000 0.000 0.265 43 S C -2.403 172.411 174.600 0.358 0.000 1.325 43 S CA -0.453 58.002 58.200 0.425 0.000 1.002 43 S CB 0.273 63.668 63.200 0.324 0.000 0.921 43 S HN 0.842 nan 8.310 nan 0.000 0.554 44 P HA 0.014 nan 4.420 nan 0.000 0.257 44 P C -1.899 175.535 177.300 0.224 0.000 1.162 44 P CA -0.552 62.621 63.100 0.121 0.000 0.762 44 P CB 0.050 31.684 31.700 -0.109 0.000 0.753 45 P HA -0.028 nan 4.420 nan 0.000 0.255 45 P C -0.276 177.113 177.300 0.147 0.000 1.248 45 P CA 0.473 63.741 63.100 0.279 0.000 0.807 45 P CB 0.266 31.866 31.700 -0.167 0.000 1.150 46 N N 0.465 119.231 118.700 0.110 0.000 2.508 46 N HA 0.062 4.802 4.740 -0.000 0.000 0.285 46 N C -0.241 175.244 175.510 -0.042 0.000 1.144 46 N CA -0.495 52.564 53.050 0.014 0.000 0.978 46 N CB 1.364 39.788 38.487 -0.105 0.000 1.180 46 N HN -0.057 nan 8.380 nan 0.000 0.484 47 E N 0.450 120.604 120.200 -0.078 0.000 2.529 47 E HA -0.090 4.260 4.350 -0.000 0.000 0.259 47 E C -0.373 176.136 176.600 -0.151 0.000 0.966 47 E CA 0.025 56.365 56.400 -0.099 0.000 0.937 47 E CB 0.261 29.902 29.700 -0.099 0.000 0.923 47 E HN 0.721 nan 8.360 nan 0.000 0.468 48 N N 1.994 120.606 118.700 -0.145 0.000 2.577 48 N HA 0.254 4.994 4.740 -0.000 0.000 0.285 48 N C -0.839 174.549 175.510 -0.203 0.000 1.309 48 N CA -0.767 52.180 53.050 -0.171 0.000 0.798 48 N CB 1.013 39.419 38.487 -0.134 0.000 1.463 48 N HN 0.163 nan 8.380 nan 0.000 0.518 49 V N 0.259 120.046 119.914 -0.211 0.000 2.637 49 V HA 0.313 4.433 4.120 -0.000 0.000 0.296 49 V C 0.661 176.671 176.094 -0.140 0.000 1.046 49 V CA -0.529 61.660 62.300 -0.186 0.000 1.066 49 V CB 0.568 32.332 31.823 -0.098 0.000 0.968 49 V HN 0.839 nan 8.190 nan 0.000 0.483 50 A N 7.021 129.778 122.820 -0.105 0.000 2.279 50 A HA 0.656 4.976 4.320 -0.000 0.000 0.306 50 A C -0.335 177.057 177.584 -0.320 0.000 1.300 50 A CA -0.321 51.566 52.037 -0.250 0.000 0.925 50 A CB -0.251 18.660 19.000 -0.147 0.000 1.152 50 A HN 0.765 nan 8.150 nan 0.000 0.544 51 I N 2.462 122.760 120.570 -0.454 0.000 2.336 51 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 51 I C -0.155 175.621 176.117 -0.568 0.000 0.991 51 I CA -0.152 60.932 61.300 -0.359 0.000 1.227 51 I CB 1.343 39.172 38.000 -0.285 0.000 1.366 51 I HN 0.789 nan 8.210 nan 0.000 0.466 52 Y N 3.208 123.464 120.300 -0.074 0.000 2.444 52 Y HA 0.175 4.725 4.550 -0.000 0.000 0.249 52 Y C 0.692 176.604 175.900 0.020 0.000 1.134 52 Y CA -0.300 57.803 58.100 0.005 0.000 1.261 52 Y CB 0.300 38.806 38.460 0.077 0.000 1.143 52 Y HN 0.517 nan 8.280 nan 0.000 0.523 53 N N 1.509 120.235 118.700 0.044 0.000 2.609 53 N HA 0.234 4.974 4.740 -0.000 0.000 0.268 53 N C -2.904 172.539 175.510 -0.112 0.000 1.106 53 N CA -1.836 51.195 53.050 -0.030 0.000 0.823 53 N CB 1.104 39.602 38.487 0.019 0.000 1.263 53 N HN -0.160 nan 8.380 nan 0.000 0.533 54 P HA 0.144 nan 4.420 nan 0.000 0.273 54 P C -0.494 176.631 177.300 -0.291 0.000 1.250 54 P CA -0.362 62.402 63.100 -0.560 0.000 0.793 54 P CB 0.553 31.394 31.700 -1.432 0.000 1.011 55 F N 2.691 122.485 119.950 -0.260 0.000 2.502 55 F HA 0.078 4.605 4.527 -0.001 0.000 0.361 55 F C 0.729 176.522 175.800 -0.011 0.000 1.157 55 F CA -0.118 57.867 58.000 -0.026 0.000 1.096 55 F CB -0.331 38.739 39.000 0.116 0.000 1.141 55 F HN 0.228 nan 8.300 nan 0.000 0.579 56 R N 3.601 123.671 120.500 -0.717 0.000 3.022 56 R HA -0.161 4.179 4.340 -0.000 0.000 0.248 56 R C -2.653 173.394 176.300 -0.422 0.000 0.874 56 R CA 0.237 55.915 56.100 -0.705 0.000 0.626 56 R CB -2.352 27.403 30.300 -0.908 0.000 1.255 56 R HN 0.404 nan 8.270 nan 0.000 0.496 57 P HA -0.008 nan 4.420 nan 0.000 0.274 57 P C 1.505 178.461 177.300 -0.574 0.000 1.231 57 P CA -0.568 62.189 63.100 -0.573 0.000 0.790 57 P CB 0.301 31.150 31.700 -1.419 0.000 0.951 58 W N 3.532 124.696 121.300 -0.227 0.000 2.342 58 W HA -0.139 4.521 4.660 -0.000 0.000 0.297 58 W C 1.628 178.230 176.519 0.137 0.000 1.213 58 W CA 0.964 58.304 57.345 -0.008 0.000 1.251 58 W CB -1.901 27.720 29.460 0.268 0.000 1.136 58 W HN 0.473 nan 8.180 nan 0.000 0.526 59 W N 3.457 124.229 121.300 -0.880 0.000 2.961 59 W HA 0.006 4.666 4.660 -0.000 0.000 0.240 59 W C 1.508 177.922 176.519 -0.176 0.000 1.305 59 W CA 0.910 57.856 57.345 -0.665 0.000 1.465 59 W CB -1.422 27.287 29.460 -1.253 0.000 1.135 59 W HN 0.241 nan 8.180 nan 0.000 0.688 60 E N 1.691 121.793 120.200 -0.165 0.000 2.274 60 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 60 E C 1.826 178.417 176.600 -0.014 0.000 0.996 60 E CA 0.617 56.972 56.400 -0.075 0.000 0.840 60 E CB -0.514 29.007 29.700 -0.298 0.000 0.772 60 E HN 0.244 nan 8.360 nan 0.000 0.491 61 R N -0.326 120.162 120.500 -0.019 0.000 2.316 61 R HA -0.028 4.312 4.340 -0.000 0.000 0.202 61 R C 0.366 176.488 176.300 -0.296 0.000 1.029 61 R CA 0.687 56.699 56.100 -0.147 0.000 1.018 61 R CB -0.038 30.160 30.300 -0.170 0.000 0.888 61 R HN 0.318 nan 8.270 nan 0.000 0.471 62 Y N 0.264 120.670 120.300 0.176 0.000 2.658 62 Y HA 0.215 4.765 4.550 -0.000 0.000 0.276 62 Y C 0.135 176.168 175.900 0.222 0.000 1.167 62 Y CA -0.097 58.139 58.100 0.226 0.000 1.230 62 Y CB 0.608 39.243 38.460 0.292 0.000 1.144 62 Y HN -0.112 nan 8.280 nan 0.000 0.529 63 Q N 1.199 121.103 119.800 0.172 0.000 2.798 63 Q HA 0.281 4.621 4.340 -0.000 0.000 0.250 63 Q C -2.736 173.257 176.000 -0.012 0.000 1.006 63 Q CA -2.045 53.835 55.803 0.128 0.000 0.759 63 Q CB 1.378 30.184 28.738 0.115 0.000 1.201 63 Q HN 0.075 nan 8.270 nan 0.000 0.486 64 P HA -0.052 nan 4.420 nan 0.000 0.266 64 P C 0.153 177.324 177.300 -0.215 0.000 1.195 64 P CA 0.147 63.146 63.100 -0.168 0.000 0.768 64 P CB 1.182 32.763 31.700 -0.198 0.000 0.838 65 V N 0.644 120.399 119.914 -0.266 0.000 3.484 65 V HA 0.127 4.247 4.120 -0.000 0.000 0.252 65 V C 0.724 176.725 176.094 -0.154 0.000 1.282 65 V CA 1.338 63.505 62.300 -0.221 0.000 1.104 65 V CB 0.502 32.048 31.823 -0.462 0.000 0.868 65 V HN 0.817 nan 8.190 nan 0.000 0.457 66 S N -2.157 113.335 115.700 -0.348 0.000 2.683 66 S HA 0.427 4.897 4.470 -0.000 0.000 0.269 66 S C -0.915 173.283 174.600 -0.671 0.000 1.165 66 S CA -0.385 57.524 58.200 -0.485 0.000 0.840 66 S CB 0.776 63.847 63.200 -0.215 0.000 1.169 66 S HN -0.047 nan 8.310 nan 0.000 0.490 67 Y N 0.995 121.133 120.300 -0.270 0.000 2.607 67 Y HA 0.454 5.003 4.550 -0.000 0.000 0.266 67 Y C 0.627 176.406 175.900 -0.202 0.000 1.178 67 Y CA -0.800 57.041 58.100 -0.431 0.000 1.226 67 Y CB -0.167 37.971 38.460 -0.537 0.000 1.144 67 Y HN 0.384 nan 8.280 nan 0.000 0.528 68 K N 0.878 121.255 120.400 -0.037 0.000 2.401 68 K HA 0.142 4.462 4.320 -0.000 0.000 0.278 68 K C -0.509 176.119 176.600 0.046 0.000 1.018 68 K CA -0.444 55.852 56.287 0.016 0.000 0.981 68 K CB 0.721 33.222 32.500 0.003 0.000 0.933 68 K HN -0.050 nan 8.250 nan 0.000 0.477 69 L N 3.810 125.085 121.223 0.087 0.000 2.384 69 L HA 0.067 4.407 4.340 -0.000 0.000 0.258 69 L C -0.344 176.604 176.870 0.130 0.000 1.266 69 L CA 0.233 55.120 54.840 0.079 0.000 1.162 69 L CB -0.484 41.591 42.059 0.028 0.000 1.375 69 L HN 0.599 nan 8.230 nan 0.000 0.420 70 c N 2.077 120.739 118.600 0.103 0.000 2.781 70 c HA 0.762 5.332 4.570 -0.000 0.000 0.348 70 c C 0.273 174.391 174.090 0.046 0.000 1.051 70 c CA 0.061 56.445 56.329 0.091 0.000 1.347 70 c CB 0.088 42.635 42.510 0.061 0.000 1.846 70 c HN 0.871 nan 8.230 nan 0.000 0.473 71 T N 2.010 116.587 114.554 0.038 0.000 2.696 71 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 71 T C 0.896 175.521 174.700 -0.124 0.000 1.095 71 T CA -0.680 61.393 62.100 -0.046 0.000 1.026 71 T CB 1.063 69.907 68.868 -0.039 0.000 1.390 71 T HN 0.539 nan 8.240 nan 0.000 0.513 72 R N 0.129 120.528 120.500 -0.169 0.000 2.293 72 R HA 0.028 4.368 4.340 -0.000 0.000 0.219 72 R C 1.968 178.089 176.300 -0.299 0.000 1.091 72 R CA 0.949 56.932 56.100 -0.195 0.000 1.004 72 R CB -0.401 29.784 30.300 -0.191 0.000 0.865 72 R HN 0.551 nan 8.270 nan 0.000 0.469 73 S N -0.534 114.871 115.700 -0.492 0.000 2.496 73 S HA 0.135 4.605 4.470 -0.000 0.000 0.224 73 S C 0.734 174.737 174.600 -0.994 0.000 0.996 73 S CA 0.664 58.298 58.200 -0.942 0.000 0.927 73 S CB 0.709 62.798 63.200 -1.851 0.000 0.774 73 S HN 0.646 nan 8.310 nan 0.000 0.524 74 G N 1.348 109.837 108.800 -0.518 0.000 2.369 74 G HA2 0.133 4.093 3.960 -0.000 0.000 0.307 74 G HA3 0.133 4.093 3.960 -0.000 0.000 0.307 74 G C -1.329 173.688 174.900 0.195 0.000 1.327 74 G CA -0.661 44.370 45.100 -0.114 0.000 0.963 74 G HN 0.344 nan 8.290 nan 0.000 0.590 75 N N -0.738 118.126 118.700 0.274 0.000 2.566 75 N HA 0.451 5.191 4.740 -0.000 0.000 0.299 75 N C 1.042 176.761 175.510 0.350 0.000 1.277 75 N CA 0.064 53.270 53.050 0.260 0.000 0.965 75 N CB 0.915 39.503 38.487 0.168 0.000 1.142 75 N HN 0.731 nan 8.380 nan 0.000 0.596 76 E N -1.021 119.331 120.200 0.255 0.000 2.150 76 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 76 E C 0.323 177.079 176.600 0.260 0.000 0.985 76 E CA 1.133 57.691 56.400 0.263 0.000 0.814 76 E CB -0.068 29.764 29.700 0.221 0.000 0.752 76 E HN 0.505 nan 8.360 nan 0.000 0.466 77 D N 0.598 121.122 120.400 0.207 0.000 2.117 77 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 77 D C 1.703 178.105 176.300 0.169 0.000 0.982 77 D CA 1.092 55.189 54.000 0.162 0.000 0.828 77 D CB -0.111 40.766 40.800 0.128 0.000 0.967 77 D HN 0.366 nan 8.370 nan 0.000 0.464 78 E N -0.017 120.322 120.200 0.233 0.000 2.106 78 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 78 E C 1.906 178.652 176.600 0.244 0.000 0.984 78 E CA 0.369 56.927 56.400 0.263 0.000 0.806 78 E CB -0.173 29.736 29.700 0.349 0.000 0.750 78 E HN 0.218 nan 8.360 nan 0.000 0.458 79 F N 2.021 122.014 119.950 0.073 0.000 2.113 79 F HA -0.109 4.418 4.527 -0.000 0.000 0.297 79 F C 2.188 177.847 175.800 -0.235 0.000 1.103 79 F CA 1.427 59.208 58.000 -0.365 0.000 1.248 79 F CB 0.085 38.825 39.000 -0.434 0.000 0.999 79 F HN -0.220 nan 8.300 nan 0.000 0.475 80 R N 0.224 120.701 120.500 -0.038 0.000 2.096 80 R HA -0.202 4.138 4.340 -0.000 0.000 0.235 80 R C 2.231 178.445 176.300 -0.144 0.000 1.127 80 R CA 1.345 57.380 56.100 -0.108 0.000 0.968 80 R CB -1.055 29.275 30.300 0.051 0.000 0.861 80 R HN 0.465 nan 8.270 nan 0.000 0.440 81 N N 1.289 119.948 118.700 -0.067 0.000 2.120 81 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 81 N C 1.891 177.331 175.510 -0.116 0.000 1.024 81 N CA 1.315 54.339 53.050 -0.043 0.000 0.852 81 N CB -0.005 38.494 38.487 0.020 0.000 1.003 81 N HN 0.216 nan 8.380 nan 0.000 0.424 82 M N 0.861 120.348 119.600 -0.187 0.000 2.086 82 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 82 M C 1.898 177.980 176.300 -0.363 0.000 1.067 82 M CA 1.415 56.574 55.300 -0.235 0.000 1.116 82 M CB -0.079 32.366 32.600 -0.258 0.000 1.348 82 M HN -0.031 nan 8.290 nan 0.000 0.407 83 V N 0.588 120.170 119.914 -0.553 0.000 2.343 83 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 83 V C 2.332 178.112 176.094 -0.523 0.000 1.051 83 V CA 2.331 64.278 62.300 -0.588 0.000 1.036 83 V CB -1.321 30.095 31.823 -0.678 0.000 0.654 83 V HN 0.588 nan 8.190 nan 0.000 0.451 84 T N -0.189 114.166 114.554 -0.332 0.000 2.674 84 T HA -0.192 4.158 4.350 -0.000 0.000 0.265 84 T C 2.087 176.701 174.700 -0.143 0.000 1.039 84 T CA 1.652 63.656 62.100 -0.160 0.000 1.150 84 T CB -0.245 68.693 68.868 0.117 0.000 0.864 84 T HN 0.416 nan 8.240 nan 0.000 0.427 85 R N 0.130 120.561 120.500 -0.115 0.000 2.081 85 R HA -0.040 4.300 4.340 -0.000 0.000 0.235 85 R C 2.812 179.032 176.300 -0.134 0.000 1.131 85 R CA 1.373 57.425 56.100 -0.080 0.000 0.960 85 R CB -0.817 29.452 30.300 -0.052 0.000 0.856 85 R HN 0.376 nan 8.270 nan 0.000 0.436 86 c N 0.700 119.175 118.600 -0.208 0.000 2.432 86 c HA -0.034 4.536 4.570 -0.000 0.000 0.277 86 c C 2.328 176.241 174.090 -0.294 0.000 1.249 86 c CA 0.492 56.689 56.329 -0.221 0.000 1.725 86 c CB -0.976 41.385 42.510 -0.249 0.000 2.028 86 c HN 0.512 nan 8.230 nan 0.000 0.477 87 N N 1.559 119.960 118.700 -0.498 0.000 2.166 87 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 87 N C 1.263 176.513 175.510 -0.432 0.000 1.019 87 N CA 1.101 53.719 53.050 -0.721 0.000 0.856 87 N CB -0.640 36.852 38.487 -1.658 0.000 0.993 87 N HN 0.522 nan 8.380 nan 0.000 0.426 88 N N 0.201 118.783 118.700 -0.196 0.000 2.520 88 N HA -0.069 4.671 4.740 -0.000 0.000 0.185 88 N C 1.170 176.667 175.510 -0.021 0.000 1.068 88 N CA 0.224 53.294 53.050 0.034 0.000 0.911 88 N CB 0.145 38.696 38.487 0.107 0.000 0.961 88 N HN 0.054 nan 8.380 nan 0.000 0.446 89 V N -0.767 119.101 119.914 -0.077 0.000 3.483 89 V HA 0.293 4.413 4.120 -0.000 0.000 0.301 89 V C 1.014 177.070 176.094 -0.064 0.000 1.389 89 V CA 0.644 62.913 62.300 -0.052 0.000 1.101 89 V CB -0.350 31.448 31.823 -0.041 0.000 0.971 89 V HN 0.385 nan 8.190 nan 0.000 0.434 90 G N 0.525 109.261 108.800 -0.107 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 0.100 174.946 174.900 -0.089 0.000 0.981 90 G CA 0.285 45.324 45.100 -0.103 0.000 0.665 90 G HN 0.626 nan 8.290 nan 0.000 0.528 91 V N 2.357 122.203 119.914 -0.113 0.000 2.347 91 V HA 0.580 4.699 4.120 -0.000 0.000 0.280 91 V C 0.573 176.576 176.094 -0.152 0.000 1.021 91 V CA -1.252 61.003 62.300 -0.076 0.000 0.847 91 V CB 1.394 33.187 31.823 -0.050 0.000 0.990 91 V HN 0.324 nan 8.190 nan 0.000 0.444 92 R N 4.185 124.618 120.500 -0.111 0.000 2.560 92 R HA 0.540 4.879 4.340 -0.000 0.000 0.270 92 R C -0.574 175.498 176.300 -0.380 0.000 1.074 92 R CA -0.711 55.236 56.100 -0.256 0.000 1.140 92 R CB 0.880 31.035 30.300 -0.240 0.000 1.073 92 R HN 0.415 nan 8.270 nan 0.000 0.527 93 I N 2.527 122.748 120.570 -0.581 0.000 2.433 93 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 93 I C -0.710 174.968 176.117 -0.733 0.000 1.001 93 I CA -0.947 60.051 61.300 -0.504 0.000 1.119 93 I CB 1.168 38.908 38.000 -0.433 0.000 1.289 93 I HN 0.414 nan 8.210 nan 0.000 0.438 94 Y N 4.687 124.956 120.300 -0.051 0.000 2.341 94 Y HA 0.479 5.029 4.550 -0.000 0.000 0.338 94 Y C 0.203 176.072 175.900 -0.050 0.000 0.965 94 Y CA -0.919 57.145 58.100 -0.060 0.000 1.108 94 Y CB 1.921 40.478 38.460 0.161 0.000 1.180 94 Y HN 0.178 nan 8.280 nan 0.000 0.458 95 V N 3.039 122.925 119.914 -0.046 0.000 2.509 95 V HA 0.111 4.231 4.120 -0.000 0.000 0.284 95 V C -0.117 176.082 176.094 0.176 0.000 1.047 95 V CA -0.776 61.580 62.300 0.093 0.000 0.952 95 V CB 1.414 33.306 31.823 0.114 0.000 0.988 95 V HN 0.661 nan 8.190 nan 0.000 0.469 96 D N 4.221 124.731 120.400 0.183 0.000 2.374 96 D HA 0.320 4.960 4.640 -0.000 0.000 0.240 96 D C 0.113 176.530 176.300 0.195 0.000 1.229 96 D CA -0.046 54.054 54.000 0.167 0.000 0.895 96 D CB 1.142 42.068 40.800 0.210 0.000 1.046 96 D HN 0.691 nan 8.370 nan 0.000 0.498 97 A N 4.144 127.064 122.820 0.167 0.000 2.279 97 A HA 0.376 4.696 4.320 -0.000 0.000 0.306 97 A C -0.048 177.603 177.584 0.113 0.000 1.300 97 A CA -0.656 51.470 52.037 0.148 0.000 0.925 97 A CB 0.609 19.606 19.000 -0.005 0.000 1.152 97 A HN 0.374 nan 8.150 nan 0.000 0.544 98 V N 5.631 125.619 119.914 0.124 0.000 2.258 98 V HA 0.136 4.256 4.120 -0.000 0.000 0.258 98 V C 0.910 176.974 176.094 -0.049 0.000 1.121 98 V CA 0.280 62.602 62.300 0.036 0.000 0.942 98 V CB -0.471 31.370 31.823 0.029 0.000 1.170 98 V HN 0.876 nan 8.190 nan 0.000 0.487 99 I N 0.381 120.914 120.570 -0.062 0.000 4.082 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.337 99 I C 1.555 177.621 176.117 -0.084 0.000 1.352 99 I CA 0.275 61.542 61.300 -0.055 0.000 1.097 99 I CB 0.107 38.076 38.000 -0.052 0.000 1.048 99 I HN 0.469 nan 8.210 nan 0.000 0.393 100 N N 1.561 120.189 118.700 -0.121 0.000 2.300 100 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 100 N C 0.594 176.121 175.510 0.028 0.000 1.016 100 N CA 1.064 54.119 53.050 0.007 0.000 0.876 100 N CB 0.169 38.769 38.487 0.187 0.000 0.979 100 N HN 0.681 nan 8.380 nan 0.000 0.432 101 H N -3.491 115.594 119.070 0.024 0.000 2.933 101 H HA 0.336 4.892 4.556 0.000 0.000 0.310 101 H C -0.550 174.770 175.328 -0.013 0.000 1.351 101 H CA -0.902 55.154 56.048 0.014 0.000 1.137 101 H CB 0.554 30.325 29.762 0.015 0.000 1.853 101 H HN -0.175 nan 8.280 nan 0.000 0.539 102 M N 0.745 120.413 119.600 0.113 0.000 2.517 102 M HA 0.311 4.791 4.480 -0.000 0.000 0.248 102 M C 0.995 177.357 176.300 0.103 0.000 0.923 102 M CA -0.521 54.732 55.300 -0.078 0.000 1.314 102 M CB 0.541 32.843 32.600 -0.497 0.000 1.392 102 M HN 0.894 nan 8.290 nan 0.000 0.711 103 C N -0.021 119.332 119.300 0.088 0.000 2.640 103 C HA 0.713 5.172 4.460 -0.000 0.000 0.330 103 C C 1.040 176.101 174.990 0.119 0.000 1.416 103 C CA -0.942 58.157 59.018 0.135 0.000 2.396 103 C CB -0.902 26.913 27.740 0.126 0.000 2.330 103 C HN 0.853 nan 8.230 nan 0.000 0.704 104 G N 1.656 110.508 108.800 0.086 0.000 2.380 104 G HA2 0.163 4.123 3.960 -0.000 0.000 0.242 104 G HA3 0.163 4.123 3.960 -0.000 0.000 0.242 104 G C 0.957 175.883 174.900 0.043 0.000 1.298 104 G CA 0.283 45.402 45.100 0.032 0.000 0.878 104 G HN 1.048 nan 8.290 nan 0.000 0.542 105 N N 1.647 120.344 118.700 -0.005 0.000 2.364 105 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 105 N C 1.624 177.123 175.510 -0.020 0.000 1.022 105 N CA 1.118 54.154 53.050 -0.024 0.000 0.883 105 N CB 0.024 38.478 38.487 -0.055 0.000 0.965 105 N HN 0.427 nan 8.380 nan 0.000 0.438 106 A N 0.645 123.459 122.820 -0.010 0.000 2.275 106 A HA 0.306 4.625 4.320 -0.000 0.000 0.212 106 A C 0.653 178.240 177.584 0.006 0.000 1.201 106 A CA -0.386 51.643 52.037 -0.012 0.000 0.843 106 A CB 0.104 19.093 19.000 -0.017 0.000 0.873 106 A HN 0.100 nan 8.150 nan 0.000 0.492 107 V N 1.471 121.409 119.914 0.039 0.000 2.637 107 V HA 0.104 4.224 4.120 -0.000 0.000 0.296 107 V C 0.755 176.851 176.094 0.002 0.000 1.046 107 V CA -0.140 62.204 62.300 0.073 0.000 1.066 107 V CB 1.208 33.145 31.823 0.190 0.000 0.968 107 V HN 0.412 nan 8.190 nan 0.000 0.483 108 S N 3.540 119.224 115.700 -0.027 0.000 2.549 108 S HA 0.410 4.879 4.470 -0.000 0.000 0.283 108 S C 0.515 174.932 174.600 -0.304 0.000 1.320 108 S CA -0.189 57.941 58.200 -0.116 0.000 1.058 108 S CB 0.852 64.007 63.200 -0.075 0.000 0.882 108 S HN 1.055 nan 8.310 nan 0.000 0.498 109 A N 2.595 125.202 122.820 -0.355 0.000 2.425 109 A HA 0.714 5.033 4.320 -0.000 0.000 0.242 109 A C 1.010 178.267 177.584 -0.545 0.000 1.077 109 A CA 0.425 52.100 52.037 -0.604 0.000 0.781 109 A CB -0.288 18.490 19.000 -0.371 0.000 1.020 109 A HN 1.344 nan 8.150 nan 0.000 0.494 110 G N -0.842 107.501 108.800 -0.762 0.000 2.334 110 G HA2 0.389 4.348 3.960 -0.000 0.000 0.249 110 G HA3 0.389 4.348 3.960 -0.000 0.000 0.249 110 G C 0.006 174.734 174.900 -0.286 0.000 1.327 110 G CA 0.596 45.513 45.100 -0.305 0.000 0.979 110 G HN 1.742 nan 8.290 nan 0.000 0.471 111 T N -2.368 112.181 114.554 -0.008 0.000 3.380 111 T HA 0.522 4.872 4.350 -0.000 0.000 0.289 111 T C 0.739 175.571 174.700 0.221 0.000 1.012 111 T CA 0.974 63.171 62.100 0.161 0.000 0.944 111 T CB 0.726 69.694 68.868 0.165 0.000 1.172 111 T HN 1.170 nan 8.240 nan 0.000 0.502 112 S N 2.916 118.768 115.700 0.253 0.000 4.183 112 S HA 0.426 4.896 4.470 -0.000 0.000 0.195 112 S C 0.359 175.149 174.600 0.315 0.000 1.421 112 S CA -0.545 57.823 58.200 0.280 0.000 0.920 112 S CB -1.021 62.336 63.200 0.261 0.000 1.525 112 S HN 0.747 nan 8.310 nan 0.000 0.447 113 S N 0.827 116.665 115.700 0.230 0.000 2.634 113 S HA 0.412 4.882 4.470 -0.000 0.000 0.296 113 S C 1.068 175.685 174.600 0.029 0.000 1.104 113 S CA -0.371 57.869 58.200 0.066 0.000 0.920 113 S CB 1.106 64.328 63.200 0.036 0.000 1.111 113 S HN 0.455 nan 8.310 nan 0.000 0.493 114 T N -3.284 111.249 114.554 -0.035 0.000 3.163 114 T HA -0.020 4.329 4.350 -0.000 0.000 0.260 114 T C 0.925 175.625 174.700 0.001 0.000 1.156 114 T CA 0.637 62.718 62.100 -0.031 0.000 1.072 114 T CB -0.672 68.156 68.868 -0.067 0.000 0.937 114 T HN 0.629 nan 8.240 nan 0.000 0.528 115 c N 0.444 119.054 118.600 0.016 0.000 3.512 115 c HA 0.669 5.239 4.570 -0.000 0.000 0.276 115 c C 1.998 176.122 174.090 0.056 0.000 1.592 115 c CA -0.113 56.236 56.329 0.033 0.000 1.803 115 c CB -0.761 41.763 42.510 0.024 0.000 2.996 115 c HN 0.861 nan 8.230 nan 0.000 0.590 116 G N 1.531 110.378 108.800 0.078 0.000 2.179 116 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.260 116 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.260 116 G C 0.240 175.221 174.900 0.135 0.000 0.977 116 G CA 0.611 45.774 45.100 0.104 0.000 0.641 116 G HN 0.595 nan 8.290 nan 0.000 0.533 117 S N -0.120 115.657 115.700 0.129 0.000 2.560 117 S HA 0.401 4.870 4.470 -0.000 0.000 0.284 117 S C 0.013 174.781 174.600 0.280 0.000 1.327 117 S CA -0.222 58.075 58.200 0.163 0.000 1.055 117 S CB 0.764 64.024 63.200 0.099 0.000 0.868 117 S HN 0.599 nan 8.310 nan 0.000 0.506 118 Y N 4.240 124.630 120.300 0.150 0.000 2.299 118 Y HA 0.554 5.104 4.550 -0.000 0.000 0.326 118 Y C -0.521 175.498 175.900 0.198 0.000 1.164 118 Y CA -1.005 57.169 58.100 0.122 0.000 1.234 118 Y CB 0.371 38.841 38.460 0.016 0.000 1.219 118 Y HN 0.570 nan 8.280 nan 0.000 0.497 119 F N 3.315 122.603 119.950 -1.103 0.000 2.678 119 F HA 0.442 4.969 4.527 -0.000 0.000 0.308 119 F C -1.930 173.190 175.800 -1.134 0.000 1.118 119 F CA -1.446 55.948 58.000 -1.009 0.000 0.959 119 F CB 1.294 39.904 39.000 -0.651 0.000 1.305 119 F HN 0.428 nan 8.300 nan 0.000 0.443 120 N N 3.112 121.261 118.700 -0.917 0.000 2.648 120 N HA 0.411 5.151 4.740 -0.000 0.000 0.261 120 N C -2.580 172.652 175.510 -0.463 0.000 1.138 120 N CA -2.142 50.528 53.050 -0.634 0.000 0.804 120 N CB 2.061 40.336 38.487 -0.353 0.000 1.237 120 N HN 0.289 nan 8.380 nan 0.000 0.532 121 P HA -0.027 nan 4.420 nan 0.000 0.215 121 P C 1.333 178.551 177.300 -0.136 0.000 1.153 121 P CA 1.213 64.226 63.100 -0.144 0.000 0.853 121 P CB 0.200 31.902 31.700 0.003 0.000 0.788 122 G N -0.112 108.608 108.800 -0.133 0.000 2.469 122 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 122 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 122 G C 1.394 176.238 174.900 -0.094 0.000 1.150 122 G CA 1.425 46.464 45.100 -0.101 0.000 0.763 122 G HN 0.446 nan 8.290 nan 0.000 0.561 123 S N -1.216 114.426 115.700 -0.097 0.000 2.572 123 S HA 0.361 4.831 4.470 -0.000 0.000 0.228 123 S C 0.956 175.533 174.600 -0.038 0.000 0.963 123 S CA -0.040 58.125 58.200 -0.059 0.000 0.939 123 S CB 0.433 63.615 63.200 -0.030 0.000 0.804 123 S HN 0.188 nan 8.310 nan 0.000 0.480 124 R N 1.330 121.782 120.500 -0.080 0.000 3.525 124 R HA -0.113 4.226 4.340 -0.000 0.000 0.276 124 R C -1.286 175.143 176.300 0.215 0.000 1.116 124 R CA 0.649 56.738 56.100 -0.019 0.000 0.745 124 R CB -2.724 27.571 30.300 -0.008 0.000 1.185 124 R HN 0.615 nan 8.270 nan 0.000 0.454 125 D N -0.116 120.281 120.400 -0.004 0.000 2.344 125 D HA 0.309 4.949 4.640 -0.000 0.000 0.239 125 D C -0.493 175.693 176.300 -0.189 0.000 1.064 125 D CA -0.237 53.806 54.000 0.073 0.000 0.829 125 D CB 0.481 41.321 40.800 0.067 0.000 1.129 125 D HN -0.056 nan 8.370 nan 0.000 0.506 126 F N 3.756 123.859 119.950 0.255 0.000 2.660 126 F HA 0.232 4.759 4.527 -0.000 0.000 0.352 126 F C -1.419 174.478 175.800 0.163 0.000 1.257 126 F CA -1.569 56.556 58.000 0.209 0.000 1.200 126 F CB 1.598 40.755 39.000 0.262 0.000 1.473 126 F HN 0.189 nan 8.300 nan 0.000 0.561 127 P HA -0.207 nan 4.420 nan 0.000 0.221 127 P C 1.310 178.693 177.300 0.138 0.000 1.145 127 P CA 1.306 64.525 63.100 0.199 0.000 0.795 127 P CB 0.347 32.172 31.700 0.208 0.000 0.775 128 A N -0.551 122.346 122.820 0.128 0.000 2.168 128 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 128 A C 2.239 179.811 177.584 -0.020 0.000 1.152 128 A CA 0.894 52.964 52.037 0.056 0.000 0.716 128 A CB -1.051 17.976 19.000 0.046 0.000 0.794 128 A HN 0.098 nan 8.150 nan 0.000 0.465 129 V N 0.393 120.271 119.914 -0.060 0.000 2.326 129 V HA 0.049 4.169 4.120 -0.000 0.000 0.238 129 V C -1.478 174.544 176.094 -0.119 0.000 1.038 129 V CA 1.206 63.376 62.300 -0.218 0.000 1.032 129 V CB -0.812 30.628 31.823 -0.638 0.000 0.675 129 V HN 0.478 nan 8.190 nan 0.000 0.467 130 P HA 0.424 nan 4.420 nan 0.000 0.292 130 P C -2.034 175.336 177.300 0.116 0.000 1.300 130 P CA -0.300 62.832 63.100 0.053 0.000 0.900 130 P CB 1.942 33.726 31.700 0.139 0.000 1.139 131 Y N -0.381 120.122 120.300 0.338 0.000 2.499 131 Y HA 0.507 5.057 4.550 -0.000 0.000 0.347 131 Y C 0.943 177.119 175.900 0.459 0.000 0.987 131 Y CA -0.352 57.970 58.100 0.370 0.000 1.044 131 Y CB 2.342 40.974 38.460 0.287 0.000 1.245 131 Y HN 0.498 nan 8.280 nan 0.000 0.461 132 S N -0.906 115.172 115.700 0.629 0.000 2.851 132 S HA 0.590 5.060 4.470 -0.000 0.000 0.317 132 S C 1.046 175.981 174.600 0.557 0.000 1.144 132 S CA -0.302 58.223 58.200 0.542 0.000 0.862 132 S CB 1.154 64.643 63.200 0.481 0.000 1.259 132 S HN 0.825 nan 8.310 nan 0.000 0.564 133 G N -0.323 108.675 108.800 0.329 0.000 2.462 133 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.220 133 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.220 133 G C 0.635 175.593 174.900 0.098 0.000 1.121 133 G CA 0.508 45.703 45.100 0.158 0.000 0.758 133 G HN 0.757 nan 8.290 nan 0.000 0.559 134 W N 0.867 122.278 121.300 0.186 0.000 2.699 134 W HA 0.203 4.863 4.660 0.000 0.000 0.249 134 W C 1.035 177.598 176.519 0.073 0.000 1.280 134 W CA 0.285 57.697 57.345 0.111 0.000 1.345 134 W CB 0.309 29.808 29.460 0.066 0.000 1.128 134 W HN 0.111 nan 8.180 nan 0.000 0.642 135 D N -1.093 119.440 120.400 0.222 0.000 2.363 135 D HA 0.104 4.743 4.640 -0.000 0.000 0.214 135 D C -0.339 175.614 176.300 -0.579 0.000 1.093 135 D CA 0.347 54.266 54.000 -0.136 0.000 0.837 135 D CB -0.085 40.599 40.800 -0.193 0.000 0.948 135 D HN 0.031 nan 8.370 nan 0.000 0.507 136 F N 0.309 120.271 119.950 0.019 0.000 2.579 136 F HA 0.314 4.841 4.527 0.000 0.000 0.324 136 F C 1.337 177.141 175.800 0.007 0.000 1.058 136 F CA -1.069 56.920 58.000 -0.019 0.000 0.944 136 F CB 0.945 39.935 39.000 -0.017 0.000 1.245 136 F HN -0.364 nan 8.300 nan 0.000 0.477 137 N N 1.033 119.849 118.700 0.193 0.000 2.362 137 N HA -0.042 4.698 4.740 -0.000 0.000 0.204 137 N C 0.712 176.283 175.510 0.101 0.000 1.166 137 N CA 0.319 53.444 53.050 0.125 0.000 0.831 137 N CB -0.265 38.290 38.487 0.115 0.000 1.008 137 N HN 0.561 nan 8.380 nan 0.000 0.472 138 D N 0.392 120.855 120.400 0.105 0.000 2.133 138 D HA -0.144 4.495 4.640 -0.000 0.000 0.195 138 D C 1.742 178.059 176.300 0.029 0.000 0.997 138 D CA 1.188 55.217 54.000 0.049 0.000 0.840 138 D CB -0.157 40.656 40.800 0.023 0.000 0.947 138 D HN 0.352 nan 8.370 nan 0.000 0.452 139 G N 0.119 108.936 108.800 0.029 0.000 2.813 139 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.209 139 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.209 139 G C 1.506 176.425 174.900 0.033 0.000 1.150 139 G CA 0.069 45.180 45.100 0.018 0.000 0.785 139 G HN 0.212 nan 8.290 nan 0.000 0.535 140 K N -0.511 119.919 120.400 0.050 0.000 2.276 140 K HA 0.083 4.403 4.320 -0.000 0.000 0.198 140 K C 0.902 177.539 176.600 0.061 0.000 1.052 140 K CA -0.196 56.126 56.287 0.059 0.000 0.984 140 K CB -0.001 32.547 32.500 0.080 0.000 0.836 140 K HN 0.210 nan 8.250 nan 0.000 0.490 141 c N 2.456 121.090 118.600 0.056 0.000 2.653 141 c HA 0.153 4.723 4.570 -0.000 0.000 0.421 141 c C 0.693 174.801 174.090 0.030 0.000 1.334 141 c CA -0.043 56.313 56.329 0.045 0.000 1.885 141 c CB -0.108 42.421 42.510 0.032 0.000 2.645 141 c HN 0.410 nan 8.230 nan 0.000 0.601 142 K N 2.605 123.022 120.400 0.027 0.000 2.373 142 K HA 0.144 4.463 4.320 -0.000 0.000 0.202 142 K C 0.840 177.445 176.600 0.009 0.000 1.025 142 K CA 0.098 56.397 56.287 0.019 0.000 1.115 142 K CB 0.319 32.834 32.500 0.025 0.000 0.858 142 K HN 0.882 nan 8.250 nan 0.000 0.525 143 T N -2.704 111.852 114.554 0.003 0.000 2.868 143 T HA 0.231 4.581 4.350 -0.000 0.000 0.292 143 T C 1.491 176.188 174.700 -0.005 0.000 1.028 143 T CA -0.366 61.731 62.100 -0.004 0.000 1.059 143 T CB 1.662 70.522 68.868 -0.014 0.000 0.991 143 T HN 0.151 nan 8.240 nan 0.000 0.531 144 G N 0.358 109.155 108.800 -0.006 0.000 2.443 144 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 144 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 144 G C 1.602 176.495 174.900 -0.011 0.000 1.131 144 G CA 0.671 45.767 45.100 -0.007 0.000 0.775 144 G HN 0.938 nan 8.290 nan 0.000 0.547 145 S N -1.230 114.462 115.700 -0.014 0.000 2.517 145 S HA 0.378 4.848 4.470 -0.000 0.000 0.214 145 S C 1.927 176.514 174.600 -0.022 0.000 0.991 145 S CA 0.991 59.180 58.200 -0.018 0.000 0.906 145 S CB 0.192 63.380 63.200 -0.020 0.000 0.789 145 S HN 1.438 nan 8.310 nan 0.000 0.513 146 G N 0.817 109.606 108.800 -0.019 0.000 2.199 146 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.254 146 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.254 146 G C -0.308 174.576 174.900 -0.027 0.000 0.982 146 G CA 0.349 45.438 45.100 -0.019 0.000 0.632 146 G HN 0.565 nan 8.290 nan 0.000 0.529 147 D N -0.344 120.034 120.400 -0.035 0.000 2.442 147 D HA 0.583 5.223 4.640 -0.000 0.000 0.254 147 D C 0.872 177.138 176.300 -0.057 0.000 1.069 147 D CA -0.673 53.297 54.000 -0.051 0.000 1.017 147 D CB 0.868 41.636 40.800 -0.053 0.000 1.172 147 D HN 0.191 nan 8.370 nan 0.000 0.561 148 I N 1.261 121.781 120.570 -0.084 0.000 2.517 148 I HA -0.004 4.166 4.170 -0.000 0.000 0.285 148 I C 1.286 177.360 176.117 -0.072 0.000 1.106 148 I CA 0.566 61.793 61.300 -0.122 0.000 1.402 148 I CB 0.499 38.370 38.000 -0.215 0.000 1.399 148 I HN 0.292 nan 8.210 nan 0.000 0.535 149 E N 4.106 124.272 120.200 -0.056 0.000 2.399 149 E HA 0.122 4.471 4.350 -0.000 0.000 0.205 149 E C 0.207 176.824 176.600 0.028 0.000 0.906 149 E CA 0.061 56.458 56.400 -0.006 0.000 0.998 149 E CB 0.594 30.290 29.700 -0.007 0.000 1.002 149 E HN 0.622 nan 8.360 nan 0.000 0.501 150 N N -0.503 118.194 118.700 -0.005 0.000 2.500 150 N HA 0.102 4.841 4.740 -0.000 0.000 0.291 150 N C -0.787 174.730 175.510 0.012 0.000 1.092 150 N CA -0.230 52.850 53.050 0.049 0.000 0.890 150 N CB 0.713 39.216 38.487 0.028 0.000 1.466 150 N HN -0.111 nan 8.380 nan 0.000 0.507 151 Y N 2.031 122.327 120.300 -0.007 0.000 2.632 151 Y HA 0.081 4.630 4.550 -0.001 0.000 0.301 151 Y C 1.240 177.127 175.900 -0.022 0.000 1.172 151 Y CA 0.693 58.783 58.100 -0.017 0.000 1.328 151 Y CB -0.094 38.353 38.460 -0.022 0.000 1.016 151 Y HN 0.640 nan 8.280 nan 0.000 0.529 152 N N -0.618 118.141 118.700 0.098 0.000 2.398 152 N HA -0.070 4.670 4.740 -0.000 0.000 0.188 152 N C -0.226 175.299 175.510 0.025 0.000 1.122 152 N CA 0.130 53.214 53.050 0.057 0.000 0.866 152 N CB 0.281 38.797 38.487 0.048 0.000 0.970 152 N HN 0.086 nan 8.380 nan 0.000 0.462 153 D N 0.354 120.755 120.400 0.001 0.000 2.472 153 D HA 0.279 4.919 4.640 -0.000 0.000 0.234 153 D C 0.649 176.924 176.300 -0.041 0.000 1.088 153 D CA -0.608 53.387 54.000 -0.008 0.000 0.882 153 D CB 0.909 41.703 40.800 -0.009 0.000 1.037 153 D HN 0.077 nan 8.370 nan 0.000 0.520 154 A N 2.892 125.696 122.820 -0.027 0.000 2.076 154 A HA -0.153 4.166 4.320 -0.000 0.000 0.220 154 A C 1.958 179.464 177.584 -0.130 0.000 1.160 154 A CA 1.683 53.669 52.037 -0.085 0.000 0.653 154 A CB -0.388 18.589 19.000 -0.039 0.000 0.801 154 A HN 0.575 nan 8.150 nan 0.000 0.455 155 T N 0.362 114.929 114.554 0.021 0.000 2.770 155 T HA -0.149 4.201 4.350 -0.000 0.000 0.263 155 T C 2.108 176.832 174.700 0.041 0.000 1.039 155 T CA 1.583 63.769 62.100 0.143 0.000 1.142 155 T CB -0.290 68.707 68.868 0.215 0.000 0.868 155 T HN 0.888 nan 8.240 nan 0.000 0.435 156 Q N 0.983 120.777 119.800 -0.011 0.000 2.291 156 Q HA -0.004 4.336 4.340 -0.000 0.000 0.205 156 Q C 2.068 178.000 176.000 -0.113 0.000 0.970 156 Q CA 0.972 56.752 55.803 -0.040 0.000 0.876 156 Q CB -0.653 28.056 28.738 -0.049 0.000 0.935 156 Q HN 0.295 nan 8.270 nan 0.000 0.455 157 V N 0.877 120.673 119.914 -0.196 0.000 2.490 157 V HA -0.205 3.915 4.120 -0.000 0.000 0.250 157 V C 2.025 178.024 176.094 -0.158 0.000 1.061 157 V CA 1.981 64.126 62.300 -0.259 0.000 1.064 157 V CB -0.390 31.215 31.823 -0.363 0.000 0.670 157 V HN 0.281 nan 8.190 nan 0.000 0.461 158 R N -0.152 120.181 120.500 -0.279 0.000 2.128 158 R HA 0.060 4.400 4.340 -0.000 0.000 0.211 158 R C 1.653 177.917 176.300 -0.059 0.000 1.067 158 R CA 0.848 56.741 56.100 -0.345 0.000 1.010 158 R CB -0.295 29.327 30.300 -1.130 0.000 0.922 158 R HN 0.441 nan 8.270 nan 0.000 0.457 159 D N -1.144 119.285 120.400 0.049 0.000 2.367 159 D HA 0.094 4.733 4.640 -0.000 0.000 0.207 159 D C 0.027 176.369 176.300 0.069 0.000 1.034 159 D CA 0.287 54.364 54.000 0.129 0.000 0.861 159 D CB 0.241 41.157 40.800 0.193 0.000 0.943 159 D HN 0.081 nan 8.370 nan 0.000 0.515 160 c N 0.649 119.261 118.600 0.019 0.000 2.407 160 c HA 0.483 5.053 4.570 -0.000 0.000 0.366 160 c C 0.660 174.732 174.090 -0.030 0.000 1.213 160 c CA -1.034 55.292 56.329 -0.004 0.000 2.011 160 c CB 1.426 43.918 42.510 -0.029 0.000 2.306 160 c HN 0.063 nan 8.230 nan 0.000 0.527 161 R N 1.170 121.644 120.500 -0.044 0.000 2.316 161 R HA 0.280 4.620 4.340 -0.000 0.000 0.314 161 R C -0.556 175.657 176.300 -0.146 0.000 1.069 161 R CA -0.453 55.600 56.100 -0.079 0.000 0.959 161 R CB 0.167 30.428 30.300 -0.064 0.000 0.987 161 R HN 0.480 nan 8.270 nan 0.000 0.446 162 L N 5.033 126.112 121.223 -0.239 0.000 2.565 162 L HA -0.035 4.305 4.340 -0.000 0.000 0.275 162 L C 0.415 177.136 176.870 -0.248 0.000 1.137 162 L CA 0.877 55.520 54.840 -0.328 0.000 0.915 162 L CB -0.062 41.657 42.059 -0.566 0.000 1.232 162 L HN 0.938 nan 8.230 nan 0.000 0.473 163 T N 1.766 116.222 114.554 -0.163 0.000 3.708 163 T HA -0.177 4.173 4.350 -0.000 0.000 0.375 163 T C 1.147 175.759 174.700 -0.146 0.000 0.763 163 T CA 1.172 63.188 62.100 -0.139 0.000 1.915 163 T CB -2.345 66.430 68.868 -0.154 0.000 1.783 163 T HN 2.340 nan 8.240 nan 0.000 0.734 164 G N -0.905 107.822 108.800 -0.122 0.000 2.234 164 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.260 164 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.260 164 G C 0.080 174.921 174.900 -0.099 0.000 0.987 164 G CA -0.062 44.979 45.100 -0.099 0.000 0.625 164 G HN 1.005 nan 8.290 nan 0.000 0.532 165 L N 1.598 122.730 121.223 -0.152 0.000 2.534 165 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 165 L C 1.370 178.215 176.870 -0.041 0.000 1.178 165 L CA -0.036 54.721 54.840 -0.138 0.000 0.907 165 L CB 0.230 42.043 42.059 -0.409 0.000 1.164 165 L HN 0.255 nan 8.230 nan 0.000 0.482 166 L N 3.836 125.065 121.223 0.010 0.000 2.660 166 L HA -0.080 4.260 4.340 -0.000 0.000 0.272 166 L C 0.423 177.429 176.870 0.225 0.000 1.194 166 L CA 0.209 55.061 54.840 0.019 0.000 0.945 166 L CB -0.140 41.791 42.059 -0.213 0.000 1.212 166 L HN 0.558 nan 8.230 nan 0.000 0.490 167 D N 3.935 124.476 120.400 0.234 0.000 2.316 167 D HA 0.307 4.947 4.640 -0.000 0.000 0.245 167 D C -0.244 176.184 176.300 0.213 0.000 1.171 167 D CA -0.267 53.860 54.000 0.212 0.000 0.856 167 D CB 0.766 41.639 40.800 0.121 0.000 1.090 167 D HN 0.255 nan 8.370 nan 0.000 0.476 168 L N 2.582 123.816 121.223 0.019 0.000 2.416 168 L HA 0.277 4.617 4.340 -0.000 0.000 0.272 168 L C 0.697 177.482 176.870 -0.142 0.000 1.161 168 L CA -0.682 53.987 54.840 -0.285 0.000 0.845 168 L CB 0.894 42.730 42.059 -0.373 0.000 1.119 168 L HN 0.489 nan 8.230 nan 0.000 0.464 169 A N 5.302 128.009 122.820 -0.189 0.000 2.981 169 A HA 0.256 4.576 4.320 -0.000 0.000 0.280 169 A C 1.118 178.684 177.584 -0.029 0.000 1.743 169 A CA -0.319 51.691 52.037 -0.045 0.000 1.430 169 A CB -0.559 18.430 19.000 -0.019 0.000 1.085 169 A HN 0.838 nan 8.150 nan 0.000 0.597 170 L N 0.871 122.099 121.223 0.008 0.000 2.642 170 L HA -0.129 4.211 4.340 -0.000 0.000 0.236 170 L C 2.500 179.393 176.870 0.038 0.000 1.169 170 L CA 1.095 55.948 54.840 0.022 0.000 0.851 170 L CB -0.275 41.820 42.059 0.059 0.000 0.968 170 L HN 0.861 nan 8.230 nan 0.000 0.453 171 E N 0.983 121.208 120.200 0.041 0.000 2.299 171 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 171 E C 0.355 176.968 176.600 0.022 0.000 0.998 171 E CA 0.142 56.554 56.400 0.021 0.000 0.851 171 E CB 0.092 29.791 29.700 -0.002 0.000 0.795 171 E HN 0.380 nan 8.360 nan 0.000 0.492 172 K N 1.648 122.070 120.400 0.037 0.000 2.368 172 K HA 0.013 4.332 4.320 -0.000 0.000 0.282 172 K C 0.221 176.858 176.600 0.063 0.000 1.035 172 K CA 0.197 56.521 56.287 0.063 0.000 0.973 172 K CB 1.032 33.593 32.500 0.103 0.000 0.957 172 K HN -0.063 nan 8.250 nan 0.000 0.474 173 D N 1.968 122.408 120.400 0.067 0.000 2.144 173 D HA -0.230 4.410 4.640 -0.000 0.000 0.199 173 D C 1.486 177.830 176.300 0.075 0.000 0.984 173 D CA 1.322 55.354 54.000 0.054 0.000 0.834 173 D CB 0.050 40.881 40.800 0.051 0.000 0.955 173 D HN 0.622 nan 8.370 nan 0.000 0.465 174 Y N 0.484 120.798 120.300 0.023 0.000 2.097 174 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 174 Y C 2.103 178.047 175.900 0.073 0.000 1.152 174 Y CA 1.519 59.644 58.100 0.041 0.000 1.136 174 Y CB -0.629 37.861 38.460 0.050 0.000 0.975 174 Y HN -0.079 nan 8.280 nan 0.000 0.498 175 V N 0.918 120.819 119.914 -0.022 0.000 2.295 175 V HA -0.317 3.803 4.120 -0.000 0.000 0.246 175 V C 2.436 178.475 176.094 -0.091 0.000 1.049 175 V CA 2.329 64.596 62.300 -0.055 0.000 1.024 175 V CB -0.663 31.146 31.823 -0.023 0.000 0.648 175 V HN 0.343 nan 8.190 nan 0.000 0.447 176 R N -0.023 120.438 120.500 -0.065 0.000 2.105 176 R HA -0.146 4.194 4.340 -0.000 0.000 0.239 176 R C 2.546 178.781 176.300 -0.110 0.000 1.135 176 R CA 1.742 57.799 56.100 -0.071 0.000 0.967 176 R CB -0.463 29.813 30.300 -0.039 0.000 0.861 176 R HN 0.454 nan 8.270 nan 0.000 0.442 177 S N 0.436 116.058 115.700 -0.130 0.000 2.383 177 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 177 S C 1.629 176.110 174.600 -0.198 0.000 1.026 177 S CA 0.921 59.036 58.200 -0.142 0.000 0.981 177 S CB 0.071 63.207 63.200 -0.108 0.000 0.818 177 S HN 0.184 nan 8.310 nan 0.000 0.472 178 K N 1.386 121.612 120.400 -0.290 0.000 2.148 178 K HA 0.146 4.466 4.320 -0.000 0.000 0.204 178 K C 1.864 178.311 176.600 -0.256 0.000 1.050 178 K CA 0.766 56.889 56.287 -0.274 0.000 0.942 178 K CB -0.543 31.749 32.500 -0.346 0.000 0.724 178 K HN 0.405 nan 8.250 nan 0.000 0.446 179 I N 0.864 121.300 120.570 -0.224 0.000 2.286 179 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 179 I C 2.358 178.318 176.117 -0.261 0.000 1.104 179 I CA 0.974 62.101 61.300 -0.288 0.000 1.397 179 I CB -0.330 37.564 38.000 -0.177 0.000 1.072 179 I HN 0.016 nan 8.210 nan 0.000 0.417 180 A N 0.315 123.006 122.820 -0.215 0.000 1.930 180 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 180 A C 2.293 179.749 177.584 -0.214 0.000 1.175 180 A CA 1.778 53.684 52.037 -0.219 0.000 0.627 180 A CB -0.613 18.290 19.000 -0.162 0.000 0.815 180 A HN 0.501 nan 8.150 nan 0.000 0.443 181 E N -1.403 118.696 120.200 -0.168 0.000 2.085 181 E HA -0.265 4.085 4.350 -0.000 0.000 0.194 181 E C 1.831 178.380 176.600 -0.086 0.000 0.994 181 E CA 1.659 57.988 56.400 -0.118 0.000 0.801 181 E CB -0.354 29.290 29.700 -0.094 0.000 0.743 181 E HN 0.714 nan 8.360 nan 0.000 0.453 182 Y N 0.831 120.952 120.300 -0.298 0.000 2.163 182 Y HA -0.139 4.410 4.550 -0.000 0.000 0.288 182 Y C 2.046 177.839 175.900 -0.179 0.000 1.136 182 Y CA 1.909 59.833 58.100 -0.293 0.000 1.147 182 Y CB -0.355 37.693 38.460 -0.687 0.000 0.987 182 Y HN 0.022 nan 8.280 nan 0.000 0.509 183 M N 0.098 119.379 119.600 -0.532 0.000 2.175 183 M HA -0.195 4.285 4.480 -0.000 0.000 0.264 183 M C 1.691 177.832 176.300 -0.266 0.000 1.063 183 M CA 1.446 56.393 55.300 -0.590 0.000 1.119 183 M CB -0.352 31.793 32.600 -0.759 0.000 1.377 183 M HN 0.219 nan 8.290 nan 0.000 0.415 184 N N -0.395 118.139 118.700 -0.277 0.000 2.244 184 N HA -0.164 4.576 4.740 -0.000 0.000 0.183 184 N C 1.566 176.999 175.510 -0.130 0.000 1.016 184 N CA 1.185 54.032 53.050 -0.337 0.000 0.866 184 N CB -0.496 37.588 38.487 -0.672 0.000 0.980 184 N HN 0.438 nan 8.380 nan 0.000 0.430 185 H N 0.917 119.902 119.070 -0.143 0.000 2.353 185 H HA 0.076 4.631 4.556 -0.000 0.000 0.300 185 H C 1.992 177.313 175.328 -0.011 0.000 1.090 185 H CA 1.354 57.378 56.048 -0.040 0.000 1.327 185 H CB -0.245 29.510 29.762 -0.011 0.000 1.383 185 H HN 0.094 nan 8.280 nan 0.000 0.508 186 L N -0.531 120.625 121.223 -0.112 0.000 2.072 186 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 186 L C 2.515 179.357 176.870 -0.047 0.000 1.079 186 L CA 1.060 55.849 54.840 -0.086 0.000 0.752 186 L CB -0.322 41.706 42.059 -0.052 0.000 0.906 186 L HN 0.300 nan 8.230 nan 0.000 0.436 187 I N 0.088 120.654 120.570 -0.007 0.000 2.179 187 I HA -0.301 3.869 4.170 -0.000 0.000 0.242 187 I C 1.949 178.082 176.117 0.027 0.000 1.088 187 I CA 1.279 62.571 61.300 -0.013 0.000 1.357 187 I CB -0.356 37.658 38.000 0.023 0.000 1.051 187 I HN 0.272 nan 8.210 nan 0.000 0.409 188 D N 0.678 121.107 120.400 0.049 0.000 2.264 188 D HA -0.088 4.552 4.640 -0.000 0.000 0.208 188 D C 2.174 178.522 176.300 0.080 0.000 0.966 188 D CA 1.076 55.135 54.000 0.099 0.000 0.864 188 D CB -0.061 40.813 40.800 0.122 0.000 0.933 188 D HN 0.375 nan 8.370 nan 0.000 0.499 189 I N -0.528 120.045 120.570 0.004 0.000 2.439 189 I HA -0.040 4.130 4.170 -0.000 0.000 0.251 189 I C 1.636 177.812 176.117 0.098 0.000 1.139 189 I CA 1.151 62.461 61.300 0.016 0.000 1.438 189 I CB 0.178 38.151 38.000 -0.045 0.000 1.085 189 I HN 0.158 nan 8.210 nan 0.000 0.427 190 G N 0.625 109.462 108.800 0.062 0.000 2.321 190 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.174 190 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.174 190 G C 0.286 175.113 174.900 -0.121 0.000 1.008 190 G CA -0.039 45.098 45.100 0.062 0.000 0.739 190 G HN 0.182 nan 8.290 nan 0.000 0.502 191 V N -0.625 119.163 119.914 -0.209 0.000 2.843 191 V HA 0.731 4.850 4.120 -0.000 0.000 0.305 191 V C 1.253 177.080 176.094 -0.446 0.000 1.065 191 V CA 0.924 63.004 62.300 -0.367 0.000 1.116 191 V CB 1.500 33.068 31.823 -0.425 0.000 0.968 191 V HN 1.295 nan 8.190 nan 0.000 0.487 192 A N 2.745 125.235 122.820 -0.549 0.000 2.267 192 A HA 0.771 5.091 4.320 -0.000 0.000 0.213 192 A C 1.136 178.548 177.584 -0.286 0.000 1.192 192 A CA 0.630 52.358 52.037 -0.514 0.000 0.851 192 A CB -0.463 18.304 19.000 -0.387 0.000 0.881 192 A HN 2.070 nan 8.150 nan 0.000 0.494 193 G N -1.879 106.685 108.800 -0.393 0.000 2.342 193 G HA2 0.483 4.443 3.960 -0.000 0.000 0.297 193 G HA3 0.483 4.443 3.960 -0.000 0.000 0.297 193 G C -1.558 173.008 174.900 -0.557 0.000 1.313 193 G CA -0.707 44.303 45.100 -0.150 0.000 0.830 193 G HN 0.199 nan 8.290 nan 0.000 0.506 194 F N -0.594 119.342 119.950 -0.022 0.000 2.613 194 F HA 0.713 5.240 4.527 -0.000 0.000 0.310 194 F C 0.241 175.654 175.800 -0.646 0.000 1.085 194 F CA -0.907 56.967 58.000 -0.210 0.000 0.945 194 F CB 2.504 41.384 39.000 -0.200 0.000 1.298 194 F HN 0.493 nan 8.300 nan 0.000 0.455 195 R N 2.900 123.106 120.500 -0.490 0.000 2.229 195 R HA 0.545 4.884 4.340 -0.000 0.000 0.332 195 R C -1.599 174.530 176.300 -0.284 0.000 0.989 195 R CA -0.408 55.166 56.100 -0.877 0.000 0.842 195 R CB 0.481 30.449 30.300 -0.553 0.000 1.119 195 R HN 0.800 nan 8.270 nan 0.000 0.456 196 L N 4.711 125.791 121.223 -0.238 0.000 2.312 196 L HA 0.156 4.496 4.340 -0.000 0.000 0.287 196 L C 0.144 177.005 176.870 -0.014 0.000 1.091 196 L CA -0.483 54.302 54.840 -0.091 0.000 0.846 196 L CB 0.696 42.704 42.059 -0.084 0.000 1.219 196 L HN 0.663 nan 8.230 nan 0.000 0.439 197 D N 3.650 124.085 120.400 0.059 0.000 2.443 197 D HA 0.257 4.897 4.640 -0.000 0.000 0.239 197 D C 0.885 177.274 176.300 0.148 0.000 1.136 197 D CA 0.608 54.696 54.000 0.147 0.000 0.879 197 D CB 0.920 41.876 40.800 0.259 0.000 1.195 197 D HN 0.724 nan 8.370 nan 0.000 0.443 198 A N 2.838 125.765 122.820 0.179 0.000 2.745 198 A HA -0.237 4.083 4.320 -0.000 0.000 0.296 198 A C 1.802 179.480 177.584 0.156 0.000 1.500 198 A CA 1.160 53.345 52.037 0.247 0.000 0.766 198 A CB -2.083 17.118 19.000 0.335 0.000 1.030 198 A HN 0.453 nan 8.150 nan 0.000 0.489 199 S N -0.547 115.160 115.700 0.012 0.000 2.399 199 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 199 S C 1.833 176.310 174.600 -0.205 0.000 1.022 199 S CA 1.445 59.587 58.200 -0.096 0.000 0.983 199 S CB -0.141 62.924 63.200 -0.225 0.000 0.803 199 S HN 0.870 nan 8.310 nan 0.000 0.480 200 K N 0.875 121.097 120.400 -0.296 0.000 2.211 200 K HA -0.155 4.164 4.320 -0.000 0.000 0.204 200 K C 1.019 177.389 176.600 -0.385 0.000 1.047 200 K CA 1.216 57.287 56.287 -0.360 0.000 0.935 200 K CB -0.153 32.097 32.500 -0.415 0.000 0.728 200 K HN 0.475 nan 8.250 nan 0.000 0.452 201 H N -0.378 118.658 119.070 -0.056 0.000 2.536 201 H HA 0.173 4.729 4.556 -0.000 0.000 0.276 201 H C 0.022 175.284 175.328 -0.110 0.000 1.019 201 H CA 0.362 56.353 56.048 -0.095 0.000 1.159 201 H CB 0.021 29.763 29.762 -0.034 0.000 1.373 201 H HN 0.188 nan 8.280 nan 0.000 0.584 202 M N -0.276 119.317 119.600 -0.011 0.000 2.464 202 M HA 0.190 4.669 4.480 -0.000 0.000 0.308 202 M C -1.024 175.278 176.300 0.004 0.000 1.127 202 M CA -0.848 54.465 55.300 0.022 0.000 0.913 202 M CB 2.383 35.053 32.600 0.117 0.000 1.689 202 M HN -0.008 nan 8.290 nan 0.000 0.445 203 W N 2.476 123.824 121.300 0.080 0.000 2.210 203 W HA 0.214 4.873 4.660 -0.000 0.000 0.330 203 W C -1.762 174.746 176.519 -0.019 0.000 1.334 203 W CA -0.879 56.474 57.345 0.012 0.000 1.227 203 W CB -0.200 29.253 29.460 -0.012 0.000 1.178 203 W HN 0.492 nan 8.180 nan 0.000 0.560 204 P HA -0.211 nan 4.420 nan 0.000 0.216 204 P C 1.706 179.027 177.300 0.035 0.000 1.150 204 P CA 2.442 65.470 63.100 -0.120 0.000 0.843 204 P CB 0.102 31.557 31.700 -0.408 0.000 0.787 205 G N -0.640 108.205 108.800 0.075 0.000 2.422 205 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.218 205 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.218 205 G C 1.228 176.165 174.900 0.062 0.000 1.140 205 G CA 0.691 45.820 45.100 0.049 0.000 0.775 205 G HN 0.184 nan 8.290 nan 0.000 0.545 206 D N 0.623 121.095 120.400 0.119 0.000 2.149 206 D HA -0.029 4.611 4.640 -0.000 0.000 0.201 206 D C 2.572 178.913 176.300 0.068 0.000 0.972 206 D CA 0.313 54.371 54.000 0.097 0.000 0.835 206 D CB -0.081 40.814 40.800 0.158 0.000 0.966 206 D HN 0.347 nan 8.370 nan 0.000 0.476 207 I N 0.771 121.395 120.570 0.090 0.000 2.179 207 I HA -0.290 3.880 4.170 -0.000 0.000 0.242 207 I C 2.366 178.500 176.117 0.028 0.000 1.088 207 I CA 1.047 62.384 61.300 0.062 0.000 1.357 207 I CB -0.145 37.926 38.000 0.118 0.000 1.051 207 I HN -0.070 nan 8.210 nan 0.000 0.409 208 K N 1.667 122.090 120.400 0.037 0.000 2.063 208 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 208 K C 2.069 178.671 176.600 0.002 0.000 1.048 208 K CA 1.774 58.073 56.287 0.019 0.000 0.928 208 K CB -0.369 32.146 32.500 0.025 0.000 0.713 208 K HN 0.281 nan 8.250 nan 0.000 0.442 209 A N 0.635 123.458 122.820 0.004 0.000 1.940 209 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 209 A C 2.219 179.791 177.584 -0.021 0.000 1.176 209 A CA 1.779 53.813 52.037 -0.005 0.000 0.631 209 A CB -0.651 18.348 19.000 -0.001 0.000 0.814 209 A HN 0.388 nan 8.150 nan 0.000 0.446 210 I N -0.509 120.042 120.570 -0.031 0.000 2.233 210 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 210 I C 2.287 178.356 176.117 -0.081 0.000 1.093 210 I CA 0.949 62.209 61.300 -0.066 0.000 1.380 210 I CB -0.326 37.624 38.000 -0.083 0.000 1.067 210 I HN 0.278 nan 8.210 nan 0.000 0.413 211 L N 0.367 121.550 121.223 -0.067 0.000 2.127 211 L HA -0.237 4.103 4.340 -0.000 0.000 0.211 211 L C 1.838 178.682 176.870 -0.044 0.000 1.089 211 L CA 1.138 55.938 54.840 -0.067 0.000 0.757 211 L CB -0.711 41.318 42.059 -0.050 0.000 0.899 211 L HN 0.288 nan 8.230 nan 0.000 0.434 212 D N 0.200 120.583 120.400 -0.028 0.000 2.350 212 D HA -0.119 4.520 4.640 -0.000 0.000 0.216 212 D C 1.789 178.084 176.300 -0.008 0.000 0.968 212 D CA 1.000 54.992 54.000 -0.013 0.000 0.894 212 D CB 0.067 40.864 40.800 -0.006 0.000 0.909 212 D HN 0.332 nan 8.370 nan 0.000 0.520 213 K N -0.255 120.129 120.400 -0.026 0.000 2.404 213 K HA 0.075 4.395 4.320 -0.000 0.000 0.194 213 K C 0.057 176.643 176.600 -0.023 0.000 1.023 213 K CA -0.340 55.935 56.287 -0.021 0.000 1.094 213 K CB 0.660 33.131 32.500 -0.048 0.000 0.841 213 K HN -0.046 nan 8.250 nan 0.000 0.523 214 L N 1.299 122.501 121.223 -0.035 0.000 2.371 214 L HA 0.146 4.486 4.340 -0.000 0.000 0.272 214 L C 0.476 177.397 176.870 0.085 0.000 1.124 214 L CA -0.019 54.795 54.840 -0.044 0.000 0.816 214 L CB 0.443 42.467 42.059 -0.059 0.000 1.129 214 L HN 0.141 nan 8.230 nan 0.000 0.448 215 H N 1.149 120.210 119.070 -0.015 0.000 2.597 215 H HA 0.200 4.756 4.556 -0.000 0.000 0.370 215 H C -0.078 175.240 175.328 -0.016 0.000 1.281 215 H CA -0.643 55.399 56.048 -0.009 0.000 1.422 215 H CB 0.713 30.474 29.762 -0.001 0.000 1.524 215 H HN 0.596 nan 8.280 nan 0.000 0.607 216 N N 0.097 118.867 118.700 0.117 0.000 2.445 216 N HA 0.137 4.877 4.740 -0.000 0.000 0.264 216 N C -0.359 175.162 175.510 0.019 0.000 1.227 216 N CA -0.673 52.399 53.050 0.036 0.000 0.963 216 N CB 0.875 39.374 38.487 0.020 0.000 1.188 216 N HN 0.188 nan 8.380 nan 0.000 0.491 217 L N 1.084 122.259 121.223 -0.081 0.000 2.483 217 L HA -0.015 4.324 4.340 -0.000 0.000 0.275 217 L C 0.812 177.714 176.870 0.053 0.000 1.220 217 L CA 0.028 54.754 54.840 -0.190 0.000 0.833 217 L CB -0.078 41.547 42.059 -0.723 0.000 1.102 217 L HN 0.610 nan 8.230 nan 0.000 0.490 218 N N 0.220 119.031 118.700 0.185 0.000 2.374 218 N HA -0.098 4.642 4.740 -0.000 0.000 0.269 218 N C 1.110 176.822 175.510 0.337 0.000 1.310 218 N CA 0.208 53.435 53.050 0.295 0.000 0.877 218 N CB 0.610 39.353 38.487 0.427 0.000 1.096 218 N HN 0.632 nan 8.380 nan 0.000 0.484 219 S N 2.508 118.302 115.700 0.157 0.000 2.537 219 S HA -0.082 4.388 4.470 -0.000 0.000 0.240 219 S C 1.132 175.741 174.600 0.016 0.000 0.981 219 S CA 0.362 58.623 58.200 0.101 0.000 0.948 219 S CB -0.064 63.159 63.200 0.038 0.000 0.759 219 S HN 0.629 nan 8.310 nan 0.000 0.531 220 N N 0.015 118.674 118.700 -0.068 0.000 2.416 220 N HA 0.049 4.788 4.740 -0.000 0.000 0.177 220 N C 0.599 175.866 175.510 -0.405 0.000 1.036 220 N CA 0.857 53.708 53.050 -0.332 0.000 0.901 220 N CB -0.032 38.077 38.487 -0.629 0.000 0.976 220 N HN 0.623 nan 8.380 nan 0.000 0.444 221 W N -0.546 120.699 121.300 -0.092 0.000 2.835 221 W HA 0.289 4.949 4.660 -0.000 0.000 0.278 221 W C -0.281 175.920 176.519 -0.531 0.000 1.075 221 W CA -0.172 56.954 57.345 -0.365 0.000 1.439 221 W CB 0.208 29.304 29.460 -0.605 0.000 0.927 221 W HN -0.187 nan 8.180 nan 0.000 0.604 222 F N 1.922 121.979 119.950 0.178 0.000 2.522 222 F HA 0.481 5.008 4.527 -0.000 0.000 0.324 222 F C -1.730 174.100 175.800 0.049 0.000 1.077 222 F CA -2.812 55.245 58.000 0.094 0.000 0.944 222 F CB 0.182 39.227 39.000 0.075 0.000 1.175 222 F HN -0.423 nan 8.300 nan 0.000 0.468 223 P HA 0.139 nan 4.420 nan 0.000 0.269 223 P C -0.687 176.678 177.300 0.110 0.000 1.209 223 P CA -0.251 62.920 63.100 0.118 0.000 0.776 223 P CB 0.654 32.407 31.700 0.088 0.000 0.876 224 A N 2.055 124.916 122.820 0.068 0.000 2.561 224 A HA 0.366 4.686 4.320 -0.000 0.000 0.234 224 A C 1.529 179.139 177.584 0.043 0.000 1.055 224 A CA 0.833 52.899 52.037 0.049 0.000 0.756 224 A CB -1.403 17.613 19.000 0.028 0.000 0.986 224 A HN 0.958 nan 8.150 nan 0.000 0.505 225 G N 1.385 110.205 108.800 0.033 0.000 2.159 225 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.256 225 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.256 225 G C 0.439 175.352 174.900 0.022 0.000 0.977 225 G CA 0.383 45.497 45.100 0.024 0.000 0.652 225 G HN 1.244 nan 8.290 nan 0.000 0.531 226 S N 1.000 116.716 115.700 0.028 0.000 2.531 226 S HA 0.456 4.926 4.470 -0.000 0.000 0.279 226 S C 0.466 175.043 174.600 -0.038 0.000 1.305 226 S CA 0.071 58.273 58.200 0.003 0.000 1.058 226 S CB 1.121 64.329 63.200 0.012 0.000 0.899 226 S HN 0.449 nan 8.310 nan 0.000 0.493 227 K N 3.661 124.041 120.400 -0.034 0.000 2.164 227 K HA 0.405 4.724 4.320 -0.000 0.000 0.258 227 K C -2.558 174.018 176.600 -0.041 0.000 0.951 227 K CA -2.285 53.982 56.287 -0.034 0.000 0.844 227 K CB 0.990 33.476 32.500 -0.023 0.000 1.099 227 K HN 0.347 nan 8.250 nan 0.000 0.435 228 P HA -0.098 nan 4.420 nan 0.000 0.266 228 P C -0.592 176.777 177.300 0.115 0.000 1.195 228 P CA -0.088 63.017 63.100 0.008 0.000 0.768 228 P CB 0.309 32.061 31.700 0.086 0.000 0.838 229 F N 4.919 124.867 119.950 -0.004 0.000 2.504 229 F HA 0.229 4.756 4.527 -0.000 0.000 0.369 229 F C -0.230 175.627 175.800 0.094 0.000 1.082 229 F CA -0.623 57.394 58.000 0.028 0.000 1.216 229 F CB -0.042 38.998 39.000 0.066 0.000 1.108 229 F HN 0.115 nan 8.300 nan 0.000 0.554 230 I N 8.784 129.172 120.570 -0.303 0.000 2.418 230 I HA 0.194 4.364 4.170 -0.000 0.000 0.287 230 I C -1.171 174.694 176.117 -0.419 0.000 1.008 230 I CA -0.770 60.340 61.300 -0.318 0.000 1.104 230 I CB 1.018 38.936 38.000 -0.136 0.000 1.264 230 I HN 0.560 nan 8.210 nan 0.000 0.438 231 Y N 3.436 123.420 120.300 -0.527 0.000 2.338 231 Y HA 0.707 5.257 4.550 -0.000 0.000 0.333 231 Y C -0.577 175.236 175.900 -0.144 0.000 0.968 231 Y CA -1.232 56.653 58.100 -0.358 0.000 1.123 231 Y CB 0.906 39.109 38.460 -0.428 0.000 1.165 231 Y HN 0.487 nan 8.280 nan 0.000 0.452 232 Q N 2.661 122.481 119.800 0.033 0.000 2.257 232 Q HA 0.211 4.551 4.340 -0.000 0.000 0.255 232 Q C -0.628 175.398 176.000 0.044 0.000 0.920 232 Q CA -0.778 55.017 55.803 -0.013 0.000 0.927 232 Q CB 2.092 30.808 28.738 -0.036 0.000 1.229 232 Q HN 0.717 nan 8.270 nan 0.000 0.433 233 E N 3.148 123.378 120.200 0.051 0.000 2.070 233 E HA 0.185 4.535 4.350 -0.000 0.000 0.282 233 E C -1.355 175.284 176.600 0.064 0.000 1.104 233 E CA -0.203 56.297 56.400 0.167 0.000 0.876 233 E CB 0.507 30.325 29.700 0.197 0.000 1.055 233 E HN 0.334 nan 8.360 nan 0.000 0.401 234 V N 7.212 127.187 119.914 0.102 0.000 2.482 234 V HA 0.297 4.417 4.120 -0.000 0.000 0.295 234 V C 0.068 176.214 176.094 0.086 0.000 1.026 234 V CA -0.681 61.585 62.300 -0.055 0.000 0.856 234 V CB 1.556 33.242 31.823 -0.228 0.000 1.001 234 V HN 0.624 nan 8.190 nan 0.000 0.424 235 I N 4.259 124.771 120.570 -0.096 0.000 2.308 235 I HA 0.326 4.496 4.170 -0.000 0.000 0.293 235 I C -0.399 175.672 176.117 -0.077 0.000 1.078 235 I CA 0.293 61.452 61.300 -0.235 0.000 1.292 235 I CB 0.730 38.411 38.000 -0.530 0.000 1.423 235 I HN 0.573 nan 8.210 nan 0.000 0.493 236 D N 7.752 128.174 120.400 0.037 0.000 2.389 236 D HA 0.286 4.926 4.640 -0.000 0.000 0.256 236 D C 0.021 176.356 176.300 0.058 0.000 1.239 236 D CA -0.331 53.693 54.000 0.040 0.000 0.925 236 D CB 0.997 41.838 40.800 0.068 0.000 1.145 236 D HN 0.399 nan 8.370 nan 0.000 0.542 237 L N 2.530 123.769 121.223 0.026 0.000 2.700 237 L HA 0.484 4.824 4.340 -0.000 0.000 0.234 237 L C 1.163 178.058 176.870 0.041 0.000 1.156 237 L CA -0.023 54.843 54.840 0.043 0.000 0.946 237 L CB -0.266 41.808 42.059 0.025 0.000 1.216 237 L HN 0.605 nan 8.230 nan 0.000 0.493 238 G N -0.464 108.357 108.800 0.035 0.000 2.746 238 G HA2 0.092 4.052 3.960 -0.000 0.000 0.685 238 G HA3 0.092 4.052 3.960 -0.000 0.000 0.685 238 G C 0.587 175.496 174.900 0.016 0.000 1.350 238 G CA -0.390 44.728 45.100 0.030 0.000 0.837 238 G HN 0.517 nan 8.290 nan 0.000 0.564 239 G N -0.978 107.831 108.800 0.014 0.000 2.205 239 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.261 239 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.261 239 G C 0.286 175.195 174.900 0.014 0.000 0.980 239 G CA 1.688 46.794 45.100 0.010 0.000 0.632 239 G HN 1.223 nan 8.290 nan 0.000 0.533 240 E N 0.175 120.386 120.200 0.018 0.000 2.244 240 E HA 0.451 4.801 4.350 -0.000 0.000 0.266 240 E C -1.263 175.353 176.600 0.028 0.000 0.914 240 E CA -1.661 54.757 56.400 0.031 0.000 0.794 240 E CB 2.061 31.785 29.700 0.040 0.000 1.210 240 E HN 0.061 nan 8.360 nan 0.000 0.414 241 P HA -0.051 nan 4.420 nan 0.000 0.222 241 P C 0.203 177.512 177.300 0.015 0.000 1.147 241 P CA 0.978 64.090 63.100 0.020 0.000 0.790 241 P CB 0.422 32.134 31.700 0.020 0.000 0.780 242 I N 0.605 121.186 120.570 0.018 0.000 2.365 242 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 242 I C 0.625 176.767 176.117 0.042 0.000 1.004 242 I CA -0.433 60.882 61.300 0.025 0.000 1.311 242 I CB 0.875 38.884 38.000 0.015 0.000 1.401 242 I HN -0.232 nan 8.210 nan 0.000 0.491 243 K N 3.608 124.036 120.400 0.046 0.000 2.259 243 K HA 0.293 4.613 4.320 -0.000 0.000 0.252 243 K C 0.835 177.476 176.600 0.069 0.000 0.936 243 K CA -0.548 55.757 56.287 0.030 0.000 0.810 243 K CB 1.903 34.391 32.500 -0.020 0.000 1.143 243 K HN 0.650 nan 8.250 nan 0.000 0.427 244 S N -0.160 115.573 115.700 0.056 0.000 2.447 244 S HA -0.179 4.291 4.470 -0.000 0.000 0.233 244 S C 1.776 176.282 174.600 -0.157 0.000 1.006 244 S CA 1.395 59.654 58.200 0.099 0.000 0.957 244 S CB -0.396 62.896 63.200 0.153 0.000 0.773 244 S HN 0.659 nan 8.310 nan 0.000 0.507 245 S N 2.013 117.403 115.700 -0.516 0.000 2.442 245 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 245 S C 1.057 175.187 174.600 -0.784 0.000 1.007 245 S CA 1.081 58.447 58.200 -1.391 0.000 0.965 245 S CB -0.651 62.091 63.200 -0.763 0.000 0.773 245 S HN 0.441 nan 8.310 nan 0.000 0.504 246 D N 0.568 120.779 120.400 -0.316 0.000 2.310 246 D HA -0.010 4.630 4.640 -0.000 0.000 0.212 246 D C 0.535 176.649 176.300 -0.310 0.000 0.965 246 D CA 0.905 54.742 54.000 -0.271 0.000 0.879 246 D CB -0.306 40.322 40.800 -0.287 0.000 0.921 246 D HN 0.638 nan 8.370 nan 0.000 0.510 247 Y N -1.128 119.120 120.300 -0.086 0.000 2.485 247 Y HA 0.161 4.710 4.550 -0.000 0.000 0.260 247 Y C 1.224 177.289 175.900 0.275 0.000 1.173 247 Y CA -0.456 57.693 58.100 0.083 0.000 1.252 247 Y CB -0.020 38.497 38.460 0.095 0.000 1.123 247 Y HN -0.140 nan 8.280 nan 0.000 0.524 248 F N -0.150 119.929 119.950 0.215 0.000 2.269 248 F HA -0.060 4.467 4.527 -0.000 0.000 0.301 248 F C 2.277 178.241 175.800 0.273 0.000 1.082 248 F CA 0.961 59.088 58.000 0.211 0.000 1.360 248 F CB -1.214 37.856 39.000 0.116 0.000 1.041 248 F HN 0.128 nan 8.300 nan 0.000 0.512 249 G N -0.619 108.408 108.800 0.377 0.000 2.598 249 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 249 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 249 G C 1.482 176.524 174.900 0.237 0.000 1.131 249 G CA 0.435 45.712 45.100 0.294 0.000 0.785 249 G HN 0.265 nan 8.290 nan 0.000 0.539 250 N N 0.141 118.978 118.700 0.228 0.000 2.368 250 N HA 0.249 4.989 4.740 -0.000 0.000 0.178 250 N C 1.101 176.611 175.510 -0.000 0.000 1.076 250 N CA 0.971 54.083 53.050 0.103 0.000 0.889 250 N CB 1.286 39.855 38.487 0.136 0.000 1.040 250 N HN 0.428 nan 8.380 nan 0.000 0.463 251 G N -0.132 108.754 108.800 0.144 0.000 2.350 251 G HA2 0.088 4.048 3.960 -0.000 0.000 0.276 251 G HA3 0.088 4.048 3.960 -0.000 0.000 0.276 251 G C -1.296 173.806 174.900 0.337 0.000 1.313 251 G CA -0.908 44.221 45.100 0.049 0.000 0.903 251 G HN -0.051 nan 8.290 nan 0.000 0.490 252 R N -0.944 119.693 120.500 0.228 0.000 2.649 252 R HA 0.592 4.932 4.340 -0.000 0.000 0.270 252 R C 0.096 176.511 176.300 0.193 0.000 1.105 252 R CA 0.128 56.347 56.100 0.198 0.000 1.193 252 R CB 1.114 31.506 30.300 0.152 0.000 1.120 252 R HN 1.095 nan 8.270 nan 0.000 0.561 253 V N -2.809 117.224 119.914 0.198 0.000 2.962 253 V HA 0.419 4.539 4.120 -0.000 0.000 0.313 253 V C 0.001 176.201 176.094 0.177 0.000 1.099 253 V CA -1.148 61.278 62.300 0.211 0.000 0.971 253 V CB 1.808 33.809 31.823 0.297 0.000 1.028 253 V HN 0.912 nan 8.190 nan 0.000 0.430 254 T N -0.190 114.483 114.554 0.199 0.000 2.834 254 T HA 0.429 4.779 4.350 -0.000 0.000 0.298 254 T C -0.116 174.649 174.700 0.108 0.000 0.966 254 T CA 0.018 62.225 62.100 0.178 0.000 1.141 254 T CB 0.938 69.933 68.868 0.212 0.000 0.905 254 T HN 1.018 nan 8.240 nan 0.000 0.535 255 E N 2.411 122.564 120.200 -0.078 0.000 2.042 255 E HA 0.315 4.665 4.350 -0.000 0.000 0.260 255 E C -0.416 175.955 176.600 -0.381 0.000 0.975 255 E CA -1.120 55.189 56.400 -0.152 0.000 0.799 255 E CB -0.515 29.082 29.700 -0.170 0.000 1.131 255 E HN 0.665 nan 8.360 nan 0.000 0.423 256 F N 2.487 122.355 119.950 -0.137 0.000 2.502 256 F HA 0.029 4.556 4.527 0.000 0.000 0.298 256 F C 1.672 177.348 175.800 -0.207 0.000 1.111 256 F CA 0.700 58.611 58.000 -0.147 0.000 1.445 256 F CB 0.177 39.187 39.000 0.016 0.000 1.081 256 F HN 0.376 nan 8.300 nan 0.000 0.558 257 K N -0.988 119.329 120.400 -0.138 0.000 2.211 257 K HA -0.201 4.119 4.320 -0.000 0.000 0.203 257 K C 1.724 178.060 176.600 -0.440 0.000 1.050 257 K CA 1.034 57.196 56.287 -0.208 0.000 0.945 257 K CB -0.380 31.997 32.500 -0.205 0.000 0.732 257 K HN 0.247 nan 8.250 nan 0.000 0.451 258 Y N 1.440 121.216 120.300 -0.873 0.000 2.049 258 Y HA -0.240 4.310 4.550 -0.000 0.000 0.277 258 Y C 2.449 178.210 175.900 -0.231 0.000 1.143 258 Y CA 2.070 59.725 58.100 -0.741 0.000 1.115 258 Y CB -0.744 37.290 38.460 -0.709 0.000 0.975 258 Y HN 0.049 nan 8.280 nan 0.000 0.487 259 G N -0.737 108.022 108.800 -0.068 0.000 2.408 259 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 259 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 259 G C 1.778 176.673 174.900 -0.009 0.000 1.150 259 G CA 0.895 45.983 45.100 -0.019 0.000 0.776 259 G HN 0.628 nan 8.290 nan 0.000 0.542 260 A N 0.874 123.701 122.820 0.011 0.000 1.877 260 A HA -0.013 4.307 4.320 -0.000 0.000 0.216 260 A C 2.392 180.007 177.584 0.053 0.000 1.186 260 A CA 1.946 54.013 52.037 0.050 0.000 0.620 260 A CB -0.263 18.788 19.000 0.086 0.000 0.822 260 A HN 0.204 nan 8.150 nan 0.000 0.443 261 K N -0.737 119.728 120.400 0.108 0.000 2.103 261 K HA 0.001 4.321 4.320 -0.000 0.000 0.204 261 K C 1.843 178.451 176.600 0.013 0.000 1.052 261 K CA 0.887 57.292 56.287 0.197 0.000 0.945 261 K CB -0.861 31.912 32.500 0.456 0.000 0.722 261 K HN 0.417 nan 8.250 nan 0.000 0.443 262 L N 0.956 122.122 121.223 -0.096 0.000 2.083 262 L HA -0.048 4.292 4.340 -0.000 0.000 0.209 262 L C 2.020 178.687 176.870 -0.339 0.000 1.083 262 L CA 1.973 56.554 54.840 -0.432 0.000 0.752 262 L CB -0.990 40.797 42.059 -0.453 0.000 0.899 262 L HN 0.225 nan 8.230 nan 0.000 0.433 263 G N -1.761 106.909 108.800 -0.216 0.000 2.421 263 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 263 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 263 G C 1.546 176.219 174.900 -0.379 0.000 1.171 263 G CA 1.287 46.230 45.100 -0.262 0.000 0.775 263 G HN 0.503 nan 8.290 nan 0.000 0.543 264 T N -0.907 113.493 114.554 -0.257 0.000 2.821 264 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 264 T C 2.296 176.900 174.700 -0.160 0.000 1.046 264 T CA 1.461 63.434 62.100 -0.212 0.000 1.139 264 T CB -0.374 68.545 68.868 0.084 0.000 0.871 264 T HN 0.007 nan 8.240 nan 0.000 0.454 265 V N 1.403 121.223 119.914 -0.157 0.000 2.307 265 V HA -0.020 4.100 4.120 -0.000 0.000 0.245 265 V C 2.713 178.640 176.094 -0.278 0.000 1.045 265 V CA 1.637 63.831 62.300 -0.178 0.000 1.024 265 V CB -0.570 31.080 31.823 -0.288 0.000 0.651 265 V HN 0.488 nan 8.190 nan 0.000 0.449 266 I N -0.559 119.790 120.570 -0.367 0.000 2.394 266 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 266 I C 2.525 178.469 176.117 -0.289 0.000 1.136 266 I CA 1.308 62.394 61.300 -0.356 0.000 1.425 266 I CB -0.282 37.490 38.000 -0.379 0.000 1.079 266 I HN 0.190 nan 8.210 nan 0.000 0.425 267 R N 0.917 121.199 120.500 -0.364 0.000 2.299 267 R HA 0.032 4.372 4.340 -0.000 0.000 0.197 267 R C 0.252 176.463 176.300 -0.149 0.000 0.971 267 R CA 0.158 56.023 56.100 -0.391 0.000 1.030 267 R CB 0.064 29.762 30.300 -1.003 0.000 0.932 267 R HN 0.167 nan 8.270 nan 0.000 0.477 268 K N -0.466 119.870 120.400 -0.107 0.000 3.117 268 K HA -0.158 4.162 4.320 -0.000 0.000 0.269 268 K C -1.138 175.604 176.600 0.237 0.000 1.098 268 K CA 0.323 56.628 56.287 0.030 0.000 0.785 268 K CB -1.039 31.466 32.500 0.009 0.000 1.242 268 K HN 0.143 nan 8.250 nan 0.000 0.491 269 W N 2.497 123.789 121.300 -0.014 0.000 2.238 269 W HA 0.113 4.773 4.660 0.000 0.000 0.321 269 W C 0.860 177.391 176.519 0.020 0.000 1.293 269 W CA -0.097 57.249 57.345 0.002 0.000 1.204 269 W CB -0.228 29.235 29.460 0.005 0.000 1.167 269 W HN 0.423 nan 8.180 nan 0.000 0.553 270 N N 0.488 119.300 118.700 0.187 0.000 2.669 270 N HA -0.199 4.541 4.740 -0.000 0.000 0.266 270 N C 0.678 176.261 175.510 0.122 0.000 1.024 270 N CA 1.548 54.663 53.050 0.108 0.000 0.766 270 N CB -1.506 37.032 38.487 0.084 0.000 0.898 270 N HN 1.058 nan 8.380 nan 0.000 0.548 271 G N -2.052 106.816 108.800 0.115 0.000 2.245 271 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.264 271 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.264 271 G C -0.054 174.944 174.900 0.164 0.000 0.985 271 G CA 0.508 45.682 45.100 0.124 0.000 0.625 271 G HN 0.724 nan 8.290 nan 0.000 0.536 272 E N 1.194 121.500 120.200 0.177 0.000 2.415 272 E HA 0.412 4.762 4.350 -0.000 0.000 0.262 272 E C 0.680 177.261 176.600 -0.032 0.000 1.038 272 E CA 0.806 57.323 56.400 0.194 0.000 0.921 272 E CB 0.756 30.571 29.700 0.192 0.000 0.950 272 E HN 0.824 nan 8.360 nan 0.000 0.438 273 K N 0.737 120.994 120.400 -0.239 0.000 2.551 273 K HA 0.345 4.665 4.320 -0.000 0.000 0.269 273 K C 0.605 177.003 176.600 -0.337 0.000 0.949 273 K CA -0.785 55.283 56.287 -0.365 0.000 0.849 273 K CB 0.950 33.150 32.500 -0.499 0.000 1.411 273 K HN 0.171 nan 8.250 nan 0.000 0.432 274 M N 1.146 120.571 119.600 -0.292 0.000 2.267 274 M HA -0.174 4.306 4.480 -0.000 0.000 0.263 274 M C 1.771 178.032 176.300 -0.066 0.000 1.063 274 M CA 2.144 57.278 55.300 -0.277 0.000 1.090 274 M CB -0.435 31.960 32.600 -0.341 0.000 1.392 274 M HN 0.874 nan 8.290 nan 0.000 0.422 275 S N -0.345 115.314 115.700 -0.068 0.000 2.442 275 S HA -0.154 4.316 4.470 -0.000 0.000 0.236 275 S C 1.490 176.269 174.600 0.299 0.000 1.007 275 S CA 0.830 59.129 58.200 0.165 0.000 0.965 275 S CB -0.704 62.517 63.200 0.034 0.000 0.773 275 S HN 0.441 nan 8.310 nan 0.000 0.504 276 Y N 1.682 122.071 120.300 0.148 0.000 2.571 276 Y HA 0.307 4.857 4.550 -0.000 0.000 0.294 276 Y C 1.747 177.824 175.900 0.295 0.000 1.141 276 Y CA -0.727 57.488 58.100 0.191 0.000 1.308 276 Y CB -0.811 37.785 38.460 0.226 0.000 1.002 276 Y HN 0.294 nan 8.280 nan 0.000 0.551 277 L N -0.190 121.181 121.223 0.246 0.000 2.610 277 L HA -0.089 4.251 4.340 -0.000 0.000 0.232 277 L C 2.292 179.078 176.870 -0.140 0.000 1.149 277 L CA 0.506 55.337 54.840 -0.015 0.000 0.872 277 L CB -0.359 41.452 42.059 -0.413 0.000 0.992 277 L HN 0.103 nan 8.230 nan 0.000 0.447 278 K N 1.741 121.912 120.400 -0.380 0.000 2.074 278 K HA -0.202 4.117 4.320 -0.000 0.000 0.209 278 K C 1.245 177.579 176.600 -0.444 0.000 1.048 278 K CA 1.846 57.527 56.287 -1.010 0.000 0.926 278 K CB 0.038 32.094 32.500 -0.739 0.000 0.713 278 K HN 0.434 nan 8.250 nan 0.000 0.444 279 N N -0.288 118.348 118.700 -0.107 0.000 2.380 279 N HA -0.081 4.659 4.740 -0.000 0.000 0.255 279 N C -0.650 174.898 175.510 0.063 0.000 1.158 279 N CA -0.443 52.590 53.050 -0.030 0.000 0.878 279 N CB -0.505 37.976 38.487 -0.010 0.000 1.138 279 N HN 0.255 nan 8.380 nan 0.000 0.509 280 W N 1.459 122.557 121.300 -0.336 0.000 2.257 280 W HA 0.314 4.974 4.660 -0.001 0.000 0.337 280 W C 0.402 176.551 176.519 -0.618 0.000 1.321 280 W CA 1.952 58.848 57.345 -0.748 0.000 1.267 280 W CB 0.444 29.426 29.460 -0.797 0.000 1.187 280 W HN 0.457 nan 8.180 nan 0.000 0.565 281 G N 4.069 112.118 108.800 -1.252 0.000 2.250 281 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.196 281 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.196 281 G C 0.217 174.664 174.900 -0.756 0.000 1.308 281 G CA -0.020 44.471 45.100 -1.015 0.000 1.207 281 G HN 0.424 nan 8.290 nan 0.000 0.505 282 E N 0.609 120.653 120.200 -0.260 0.000 2.209 282 E HA 0.039 4.389 4.350 -0.000 0.000 0.196 282 E C 2.468 178.955 176.600 -0.189 0.000 0.993 282 E CA 1.704 58.035 56.400 -0.115 0.000 0.819 282 E CB -0.491 29.227 29.700 0.029 0.000 0.745 282 E HN 0.796 nan 8.360 nan 0.000 0.477 283 G N -0.375 108.312 108.800 -0.189 0.000 2.479 283 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.220 283 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.220 283 G C 0.460 175.242 174.900 -0.198 0.000 1.115 283 G CA 0.410 45.428 45.100 -0.136 0.000 0.757 283 G HN 0.269 nan 8.290 nan 0.000 0.560 284 W N -0.115 120.751 121.300 -0.722 0.000 3.330 284 W HA 0.459 5.118 4.660 -0.000 0.000 0.348 284 W C 1.578 177.697 176.519 -0.668 0.000 1.205 284 W CA -0.399 56.448 57.345 -0.830 0.000 1.841 284 W CB 0.032 28.643 29.460 -1.415 0.000 1.084 284 W HN 0.296 nan 8.180 nan 0.000 0.665 285 G N -0.507 108.137 108.800 -0.261 0.000 2.132 285 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.234 285 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.234 285 G C 0.033 175.032 174.900 0.165 0.000 0.989 285 G CA -0.513 44.561 45.100 -0.044 0.000 0.676 285 G HN -0.012 nan 8.290 nan 0.000 0.522 286 F N 0.384 120.285 119.950 -0.081 0.000 2.378 286 F HA 0.601 5.128 4.527 -0.000 0.000 0.319 286 F C 1.471 177.323 175.800 0.086 0.000 1.155 286 F CA -1.349 56.614 58.000 -0.062 0.000 1.157 286 F CB 0.296 39.109 39.000 -0.312 0.000 1.252 286 F HN 0.335 nan 8.300 nan 0.000 0.550 287 V N -0.446 119.700 119.914 0.387 0.000 3.237 287 V HA 0.284 4.404 4.120 -0.000 0.000 0.305 287 V C -2.498 173.767 176.094 0.284 0.000 1.096 287 V CA -1.854 60.660 62.300 0.358 0.000 1.130 287 V CB -0.399 31.666 31.823 0.402 0.000 1.048 287 V HN 0.516 nan 8.190 nan 0.000 0.484 288 P HA 0.067 nan 4.420 nan 0.000 0.265 288 P C 0.978 178.214 177.300 -0.107 0.000 1.193 288 P CA 0.676 63.777 63.100 0.002 0.000 0.765 288 P CB 0.742 32.359 31.700 -0.139 0.000 0.823 289 S N 2.750 118.361 115.700 -0.148 0.000 2.387 289 S HA -0.211 4.258 4.470 -0.000 0.000 0.230 289 S C 1.307 175.682 174.600 -0.374 0.000 1.035 289 S CA 2.020 59.905 58.200 -0.525 0.000 1.014 289 S CB -0.898 62.077 63.200 -0.375 0.000 0.836 289 S HN 0.636 nan 8.310 nan 0.000 0.466 290 D N -0.406 119.841 120.400 -0.255 0.000 2.378 290 D HA -0.019 4.620 4.640 -0.000 0.000 0.227 290 D C 1.290 177.444 176.300 -0.242 0.000 1.012 290 D CA 0.285 54.152 54.000 -0.221 0.000 0.905 290 D CB -0.212 40.465 40.800 -0.205 0.000 0.895 290 D HN 0.278 nan 8.370 nan 0.000 0.532 291 R N -0.297 120.028 120.500 -0.292 0.000 2.549 291 R HA 0.439 4.779 4.340 -0.000 0.000 0.344 291 R C -0.103 176.124 176.300 -0.121 0.000 0.979 291 R CA -0.193 55.739 56.100 -0.279 0.000 1.140 291 R CB 0.838 30.693 30.300 -0.743 0.000 1.377 291 R HN 0.176 nan 8.270 nan 0.000 0.541 292 A N 1.574 124.307 122.820 -0.145 0.000 2.305 292 A HA 0.560 4.880 4.320 -0.000 0.000 0.322 292 A C -0.642 176.909 177.584 -0.056 0.000 1.187 292 A CA -0.459 51.520 52.037 -0.096 0.000 0.825 292 A CB 0.997 19.882 19.000 -0.192 0.000 1.164 292 A HN 0.116 nan 8.150 nan 0.000 0.498 293 L N 5.030 126.248 121.223 -0.008 0.000 2.316 293 L HA 0.620 4.960 4.340 -0.000 0.000 0.280 293 L C -0.432 176.419 176.870 -0.031 0.000 1.006 293 L CA -0.367 54.478 54.840 0.009 0.000 0.836 293 L CB 0.862 42.900 42.059 -0.035 0.000 1.221 293 L HN 0.681 nan 8.230 nan 0.000 0.418 294 V N 3.096 122.910 119.914 -0.165 0.000 2.975 294 V HA 0.842 4.962 4.120 -0.000 0.000 0.318 294 V C -0.660 175.310 176.094 -0.206 0.000 1.077 294 V CA -0.585 61.429 62.300 -0.476 0.000 1.000 294 V CB 1.848 33.059 31.823 -1.019 0.000 1.066 294 V HN 0.725 nan 8.190 nan 0.000 0.452 295 F N -0.943 118.784 119.950 -0.372 0.000 2.769 295 F HA 0.728 5.254 4.527 -0.000 0.000 0.313 295 F C -0.030 175.764 175.800 -0.009 0.000 1.146 295 F CA -0.870 57.026 58.000 -0.173 0.000 0.934 295 F CB 0.627 39.534 39.000 -0.155 0.000 1.283 295 F HN 0.244 nan 8.300 nan 0.000 0.443 296 V N 0.059 120.086 119.914 0.188 0.000 2.379 296 V HA 0.046 4.166 4.120 -0.000 0.000 0.243 296 V C 0.169 176.427 176.094 0.275 0.000 1.035 296 V CA 1.984 64.388 62.300 0.174 0.000 1.035 296 V CB -0.490 31.398 31.823 0.107 0.000 0.673 296 V HN 0.916 nan 8.190 nan 0.000 0.457 297 D N -0.371 120.274 120.400 0.409 0.000 2.570 297 D HA 0.295 4.935 4.640 -0.000 0.000 0.244 297 D C -1.065 175.429 176.300 0.324 0.000 1.178 297 D CA -0.617 53.610 54.000 0.377 0.000 0.881 297 D CB 1.877 42.853 40.800 0.292 0.000 1.453 297 D HN 0.285 nan 8.370 nan 0.000 0.447 298 N N -1.534 117.260 118.700 0.157 0.000 2.629 298 N HA 0.082 4.822 4.740 -0.000 0.000 0.279 298 N C 1.143 176.547 175.510 -0.177 0.000 1.344 298 N CA -0.508 52.494 53.050 -0.080 0.000 0.789 298 N CB 0.544 38.840 38.487 -0.319 0.000 1.508 298 N HN 0.603 nan 8.380 nan 0.000 0.516 299 H N -1.250 117.627 119.070 -0.321 0.000 2.489 299 H HA -0.052 4.504 4.556 -0.000 0.000 0.295 299 H C -0.348 174.613 175.328 -0.611 0.000 1.082 299 H CA 1.174 56.768 56.048 -0.756 0.000 1.295 299 H CB 0.003 29.004 29.762 -1.270 0.000 1.380 299 H HN 0.471 nan 8.280 nan 0.000 0.548 300 D N 1.567 121.468 120.400 -0.832 0.000 2.306 300 D HA -0.126 4.514 4.640 -0.000 0.000 0.239 300 D C 1.973 178.186 176.300 -0.144 0.000 1.105 300 D CA 1.250 54.956 54.000 -0.490 0.000 0.950 300 D CB -0.497 40.088 40.800 -0.359 0.000 1.036 300 D HN 0.506 nan 8.370 nan 0.000 0.428 301 N N 1.396 120.092 118.700 -0.006 0.000 2.493 301 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 301 N C 1.339 176.918 175.510 0.115 0.000 1.041 301 N CA 1.319 54.429 53.050 0.100 0.000 0.904 301 N CB -0.861 37.733 38.487 0.178 0.000 0.948 301 N HN 0.453 nan 8.380 nan 0.000 0.446 302 Q N 0.243 120.084 119.800 0.070 0.000 2.435 302 Q HA -0.057 4.282 4.340 -0.000 0.000 0.207 302 Q C 0.880 177.044 176.000 0.273 0.000 0.956 302 Q CA 0.649 56.546 55.803 0.158 0.000 0.917 302 Q CB -0.073 28.744 28.738 0.131 0.000 0.997 302 Q HN 0.671 nan 8.270 nan 0.000 0.497 303 R N -0.671 119.919 120.500 0.151 0.000 2.662 303 R HA 0.403 4.742 4.340 -0.000 0.000 0.396 303 R C 0.410 176.852 176.300 0.237 0.000 1.096 303 R CA -0.003 56.225 56.100 0.213 0.000 1.081 303 R CB 0.259 30.492 30.300 -0.111 0.000 1.382 303 R HN 0.162 nan 8.270 nan 0.000 0.580 304 G N 1.380 110.297 108.800 0.195 0.000 2.305 304 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.287 304 G HA3 -0.287 3.672 3.960 -0.000 0.000 0.287 304 G C 0.243 175.178 174.900 0.059 0.000 1.036 304 G CA 0.572 45.755 45.100 0.137 0.000 0.887 304 G HN 0.607 nan 8.290 nan 0.000 0.505 305 H N -1.300 117.812 119.070 0.070 0.000 2.729 305 H HA 0.214 4.770 4.556 0.000 0.000 0.263 305 H C 2.089 177.426 175.328 0.014 0.000 0.961 305 H CA 1.366 57.461 56.048 0.078 0.000 1.217 305 H CB 0.747 30.610 29.762 0.169 0.000 1.447 305 H HN 0.477 nan 8.280 nan 0.000 0.496 306 G N 0.226 109.072 108.800 0.078 0.000 2.601 306 G HA2 0.493 4.453 3.960 -0.000 0.000 0.214 306 G HA3 0.493 4.453 3.960 -0.000 0.000 0.214 306 G C -0.509 174.338 174.900 -0.089 0.000 2.067 306 G CA 0.553 45.633 45.100 -0.033 0.000 0.774 306 G HN 0.334 nan 8.290 nan 0.000 0.729 307 A N -2.516 120.241 122.820 -0.105 0.000 2.539 307 A HA 0.717 5.037 4.320 -0.000 0.000 0.296 307 A C 0.384 178.005 177.584 0.062 0.000 1.073 307 A CA 0.391 52.377 52.037 -0.084 0.000 0.700 307 A CB 1.238 20.103 19.000 -0.226 0.000 1.296 307 A HN 2.106 nan 8.150 nan 0.000 0.405 308 G N -0.219 108.628 108.800 0.077 0.000 3.033 308 G HA2 0.474 4.434 3.960 -0.000 0.000 0.196 308 G HA3 0.474 4.434 3.960 -0.000 0.000 0.196 308 G C 1.714 176.679 174.900 0.109 0.000 1.078 308 G CA 1.114 46.288 45.100 0.123 0.000 0.805 308 G HN 2.957 nan 8.290 nan 0.000 0.472 309 G N 0.320 109.180 108.800 0.100 0.000 2.562 309 G HA2 0.194 4.154 3.960 -0.000 0.000 0.250 309 G HA3 0.194 4.154 3.960 -0.000 0.000 0.250 309 G C 1.363 176.350 174.900 0.145 0.000 1.269 309 G CA 2.127 47.295 45.100 0.113 0.000 0.919 309 G HN 1.950 nan 8.290 nan 0.000 0.574 310 A N -0.497 122.440 122.820 0.195 0.000 2.067 310 A HA 0.231 4.551 4.320 -0.000 0.000 0.219 310 A C 2.708 180.434 177.584 0.237 0.000 1.158 310 A CA 3.030 55.226 52.037 0.264 0.000 0.661 310 A CB -0.735 18.468 19.000 0.338 0.000 0.801 310 A HN 2.202 nan 8.150 nan 0.000 0.452 311 S N -0.310 115.472 115.700 0.138 0.000 2.428 311 S HA 0.068 4.538 4.470 -0.000 0.000 0.230 311 S C 0.823 175.306 174.600 -0.196 0.000 1.014 311 S CA -0.069 57.966 58.200 -0.275 0.000 0.957 311 S CB -0.484 62.626 63.200 -0.150 0.000 0.784 311 S HN 0.290 nan 8.310 nan 0.000 0.499 312 I N 2.864 123.424 120.570 -0.017 0.000 2.826 312 I HA 0.074 4.244 4.170 -0.000 0.000 0.295 312 I C 0.335 176.472 176.117 0.033 0.000 1.213 312 I CA 0.092 61.413 61.300 0.036 0.000 1.436 312 I CB -0.532 37.536 38.000 0.113 0.000 1.348 312 I HN 0.332 nan 8.210 nan 0.000 0.570 313 L N 6.715 127.983 121.223 0.075 0.000 2.325 313 L HA 0.493 4.832 4.340 -0.000 0.000 0.279 313 L C 0.575 177.565 176.870 0.201 0.000 1.054 313 L CA -0.285 54.638 54.840 0.138 0.000 0.804 313 L CB 1.728 43.896 42.059 0.182 0.000 1.200 313 L HN 0.792 nan 8.230 nan 0.000 0.436 314 T N -2.015 112.517 114.554 -0.037 0.000 2.804 314 T HA 0.332 4.682 4.350 -0.000 0.000 0.290 314 T C 0.786 174.960 174.700 -0.876 0.000 1.099 314 T CA -0.618 61.181 62.100 -0.501 0.000 1.011 314 T CB 0.741 69.478 68.868 -0.219 0.000 1.291 314 T HN 0.418 nan 8.240 nan 0.000 0.523 315 F N -1.039 118.348 119.950 -0.939 0.000 2.307 315 F HA 0.137 4.664 4.527 -0.000 0.000 0.301 315 F C 1.749 177.469 175.800 -0.133 0.000 1.076 315 F CA 0.157 57.858 58.000 -0.499 0.000 1.383 315 F CB -1.123 37.632 39.000 -0.409 0.000 1.055 315 F HN 0.566 nan 8.300 nan 0.000 0.526 316 W N 1.540 122.356 121.300 -0.806 0.000 2.374 316 W HA -0.126 4.534 4.660 0.000 0.000 0.288 316 W C 0.852 177.276 176.519 -0.158 0.000 1.218 316 W CA 0.956 58.005 57.345 -0.493 0.000 1.245 316 W CB -0.240 28.884 29.460 -0.561 0.000 1.126 316 W HN -0.016 nan 8.180 nan 0.000 0.545 317 D N 0.121 120.582 120.400 0.102 0.000 3.179 317 D HA 0.239 4.879 4.640 -0.000 0.000 0.267 317 D C 1.497 177.922 176.300 0.207 0.000 1.348 317 D CA 0.320 54.398 54.000 0.129 0.000 0.897 317 D CB 0.134 40.991 40.800 0.095 0.000 1.062 317 D HN 0.031 nan 8.370 nan 0.000 0.494 318 A N 1.432 124.398 122.820 0.244 0.000 1.893 318 A HA -0.348 3.972 4.320 -0.000 0.000 0.222 318 A C 2.193 179.964 177.584 0.312 0.000 1.309 318 A CA 1.941 54.182 52.037 0.340 0.000 0.681 318 A CB -0.481 18.622 19.000 0.171 0.000 0.842 318 A HN 0.344 nan 8.150 nan 0.000 0.468 319 R N -0.621 119.991 120.500 0.186 0.000 2.080 319 R HA -0.080 4.260 4.340 -0.000 0.000 0.236 319 R C 2.127 178.521 176.300 0.157 0.000 1.137 319 R CA 1.891 58.087 56.100 0.160 0.000 0.943 319 R CB -0.402 29.959 30.300 0.100 0.000 0.846 319 R HN 0.575 nan 8.270 nan 0.000 0.431 320 L N -0.716 120.580 121.223 0.122 0.000 2.217 320 L HA -0.136 4.204 4.340 -0.000 0.000 0.211 320 L C 2.207 179.132 176.870 0.091 0.000 1.107 320 L CA 0.713 55.584 54.840 0.052 0.000 0.783 320 L CB -0.495 41.565 42.059 0.001 0.000 0.919 320 L HN 0.282 nan 8.230 nan 0.000 0.442 321 Y N 1.433 121.776 120.300 0.073 0.000 2.145 321 Y HA -0.245 4.305 4.550 -0.000 0.000 0.286 321 Y C 2.531 178.506 175.900 0.124 0.000 1.145 321 Y CA 1.523 59.684 58.100 0.102 0.000 1.148 321 Y CB -0.099 38.476 38.460 0.192 0.000 0.981 321 Y HN -0.014 nan 8.280 nan 0.000 0.507 322 K N -0.538 120.002 120.400 0.233 0.000 2.097 322 K HA -0.230 4.089 4.320 -0.000 0.000 0.206 322 K C 2.260 178.847 176.600 -0.022 0.000 1.049 322 K CA 1.805 58.218 56.287 0.209 0.000 0.933 322 K CB -0.253 32.507 32.500 0.435 0.000 0.717 322 K HN 0.397 nan 8.250 nan 0.000 0.442 323 M N 0.151 119.640 119.600 -0.185 0.000 2.156 323 M HA -0.122 4.358 4.480 -0.000 0.000 0.264 323 M C 2.117 178.186 176.300 -0.387 0.000 1.067 323 M CA 1.386 56.346 55.300 -0.567 0.000 1.131 323 M CB 0.003 32.371 32.600 -0.388 0.000 1.368 323 M HN 0.193 nan 8.290 nan 0.000 0.416 324 A N -0.683 121.964 122.820 -0.287 0.000 1.898 324 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 324 A C 1.991 179.473 177.584 -0.170 0.000 1.181 324 A CA 1.652 53.531 52.037 -0.263 0.000 0.620 324 A CB -0.992 17.872 19.000 -0.226 0.000 0.819 324 A HN 0.368 nan 8.150 nan 0.000 0.442 325 V N -0.058 119.710 119.914 -0.243 0.000 2.427 325 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 325 V C 2.761 178.829 176.094 -0.044 0.000 1.051 325 V CA 1.766 63.961 62.300 -0.177 0.000 1.048 325 V CB -1.323 30.323 31.823 -0.296 0.000 0.666 325 V HN 0.612 nan 8.190 nan 0.000 0.456 326 G N -0.774 108.002 108.800 -0.039 0.000 2.421 326 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 326 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 326 G C 1.560 176.535 174.900 0.125 0.000 1.171 326 G CA 0.960 46.091 45.100 0.053 0.000 0.775 326 G HN 0.479 nan 8.290 nan 0.000 0.543 327 F N 0.957 120.894 119.950 -0.022 0.000 2.102 327 F HA -0.017 4.510 4.527 -0.000 0.000 0.298 327 F C 2.653 178.510 175.800 0.095 0.000 1.105 327 F CA 2.072 60.066 58.000 -0.010 0.000 1.239 327 F CB -0.137 38.562 39.000 -0.502 0.000 0.991 327 F HN 0.161 nan 8.300 nan 0.000 0.474 328 M N -0.010 119.688 119.600 0.163 0.000 2.080 328 M HA -0.241 4.239 4.480 -0.000 0.000 0.260 328 M C 1.980 178.346 176.300 0.111 0.000 1.068 328 M CA 1.989 57.421 55.300 0.221 0.000 1.109 328 M CB -0.476 32.263 32.600 0.232 0.000 1.342 328 M HN 0.298 nan 8.290 nan 0.000 0.405 329 L N -0.114 121.139 121.223 0.050 0.000 2.275 329 L HA -0.094 4.246 4.340 -0.000 0.000 0.215 329 L C 2.560 179.484 176.870 0.090 0.000 1.119 329 L CA 0.819 55.680 54.840 0.034 0.000 0.790 329 L CB -0.723 41.339 42.059 0.004 0.000 0.919 329 L HN 0.441 nan 8.230 nan 0.000 0.443 330 A N -2.098 120.756 122.820 0.056 0.000 2.030 330 A HA -0.066 4.253 4.320 -0.000 0.000 0.215 330 A C 1.174 178.976 177.584 0.363 0.000 1.164 330 A CA 0.169 52.307 52.037 0.168 0.000 0.697 330 A CB -0.319 18.617 19.000 -0.106 0.000 0.827 330 A HN 0.290 nan 8.150 nan 0.000 0.457 331 H N 1.109 120.227 119.070 0.080 0.000 2.683 331 H HA 0.167 4.723 4.556 -0.000 0.000 0.339 331 H C -1.647 173.728 175.328 0.078 0.000 1.081 331 H CA -1.382 54.649 56.048 -0.028 0.000 1.432 331 H CB 1.457 31.009 29.762 -0.350 0.000 1.462 331 H HN 0.103 nan 8.280 nan 0.000 0.557 332 P HA -0.169 nan 4.420 nan 0.000 0.225 332 P C 0.298 177.694 177.300 0.160 0.000 1.148 332 P CA 0.711 63.815 63.100 0.007 0.000 0.779 332 P CB -0.130 31.515 31.700 -0.092 0.000 0.780 333 Y N 2.133 122.626 120.300 0.322 0.000 2.526 333 Y HA 0.332 4.882 4.550 -0.000 0.000 0.330 333 Y C 1.302 177.253 175.900 0.084 0.000 1.156 333 Y CA 1.243 59.467 58.100 0.206 0.000 1.419 333 Y CB -0.226 38.365 38.460 0.219 0.000 1.250 333 Y HN 0.307 nan 8.280 nan 0.000 0.540 334 G N 4.505 112.896 108.800 -0.681 0.000 2.806 334 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.236 334 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.236 334 G C -1.312 173.496 174.900 -0.154 0.000 1.387 334 G CA -0.166 44.628 45.100 -0.509 0.000 0.884 334 G HN 0.932 nan 8.290 nan 0.000 0.560 335 F N 1.890 121.696 119.950 -0.241 0.000 2.427 335 F HA 0.640 5.167 4.527 -0.000 0.000 0.346 335 F C 1.142 176.837 175.800 -0.175 0.000 1.120 335 F CA 0.001 57.892 58.000 -0.182 0.000 1.033 335 F CB 1.501 40.399 39.000 -0.170 0.000 1.126 335 F HN 0.844 nan 8.300 nan 0.000 0.462 336 T N 4.029 118.148 114.554 -0.724 0.000 2.856 336 T HA 0.432 4.782 4.350 -0.000 0.000 0.292 336 T C -0.353 174.066 174.700 -0.469 0.000 0.980 336 T CA -0.864 60.942 62.100 -0.490 0.000 1.091 336 T CB 1.369 70.030 68.868 -0.346 0.000 0.936 336 T HN 0.795 nan 8.240 nan 0.000 0.503 337 R N 2.240 122.619 120.500 -0.202 0.000 2.480 337 R HA 0.587 4.926 4.340 -0.000 0.000 0.306 337 R C -1.503 174.795 176.300 -0.005 0.000 0.958 337 R CA -0.717 55.319 56.100 -0.106 0.000 0.861 337 R CB 1.475 31.717 30.300 -0.097 0.000 1.171 337 R HN 0.609 nan 8.270 nan 0.000 0.445 338 V N 5.500 125.431 119.914 0.028 0.000 2.481 338 V HA 0.314 4.434 4.120 -0.000 0.000 0.286 338 V C 0.245 176.397 176.094 0.097 0.000 1.042 338 V CA -0.675 61.675 62.300 0.083 0.000 0.928 338 V CB 1.462 33.373 31.823 0.148 0.000 0.986 338 V HN 0.787 nan 8.190 nan 0.000 0.462 339 M N 4.162 123.838 119.600 0.126 0.000 2.277 339 M HA 0.500 4.980 4.480 -0.000 0.000 0.350 339 M C -0.154 176.181 176.300 0.057 0.000 1.180 339 M CA 0.623 55.994 55.300 0.118 0.000 1.103 339 M CB 1.443 34.146 32.600 0.172 0.000 1.577 339 M HN 0.623 nan 8.290 nan 0.000 0.459 340 S N 2.651 118.352 115.700 0.002 0.000 2.733 340 S HA 0.788 5.258 4.470 -0.000 0.000 0.294 340 S C -1.252 173.407 174.600 0.098 0.000 1.149 340 S CA -0.613 57.595 58.200 0.012 0.000 1.034 340 S CB 0.628 63.764 63.200 -0.107 0.000 1.015 340 S HN 0.843 nan 8.310 nan 0.000 0.486 341 S N 2.902 118.635 115.700 0.056 0.000 2.798 341 S HA 0.807 5.277 4.470 -0.000 0.000 0.312 341 S C -1.317 173.354 174.600 0.118 0.000 1.122 341 S CA -0.781 57.463 58.200 0.074 0.000 0.949 341 S CB 0.698 63.829 63.200 -0.115 0.000 1.235 341 S HN 0.775 nan 8.310 nan 0.000 0.552 342 Y N -0.813 119.543 120.300 0.094 0.000 2.524 342 Y HA 0.776 5.325 4.550 -0.000 0.000 0.344 342 Y C -0.391 175.498 175.900 -0.020 0.000 1.012 342 Y CA -1.432 56.600 58.100 -0.112 0.000 1.068 342 Y CB 0.703 38.929 38.460 -0.389 0.000 1.249 342 Y HN 0.410 nan 8.280 nan 0.000 0.468 343 R N 1.429 122.001 120.500 0.119 0.000 2.459 343 R HA 0.457 4.797 4.340 -0.000 0.000 0.281 343 R C -1.475 175.140 176.300 0.526 0.000 1.050 343 R CA -0.370 55.848 56.100 0.196 0.000 1.055 343 R CB 0.900 31.216 30.300 0.027 0.000 1.045 343 R HN 0.957 nan 8.270 nan 0.000 0.495 344 W N 1.521 123.063 121.300 0.403 0.000 3.083 344 W HA 0.475 5.134 4.660 -0.001 0.000 0.333 344 W C -2.613 174.064 176.519 0.264 0.000 1.217 344 W CA -2.537 54.974 57.345 0.276 0.000 1.170 344 W CB 0.431 30.049 29.460 0.263 0.000 1.437 344 W HN 0.313 nan 8.180 nan 0.000 0.557 345 P HA 0.151 nan 4.420 nan 0.000 0.260 345 P C -0.314 176.931 177.300 -0.092 0.000 1.651 345 P CA 0.005 63.110 63.100 0.009 0.000 1.139 345 P CB 0.335 32.067 31.700 0.052 0.000 1.756 346 R N 2.379 122.617 120.500 -0.437 0.000 2.522 346 R HA 0.077 4.417 4.340 -0.000 0.000 0.284 346 R C 0.529 176.620 176.300 -0.347 0.000 1.032 346 R CA 0.449 56.252 56.100 -0.495 0.000 1.049 346 R CB 0.405 30.135 30.300 -0.950 0.000 0.956 346 R HN 0.517 nan 8.270 nan 0.000 0.422 347 Q N 3.938 123.558 119.800 -0.299 0.000 2.533 347 Q HA 0.209 4.549 4.340 -0.000 0.000 0.251 347 Q C -1.435 174.461 176.000 -0.175 0.000 0.966 347 Q CA -0.450 55.261 55.803 -0.152 0.000 0.714 347 Q CB 0.666 29.388 28.738 -0.026 0.000 1.284 347 Q HN 0.380 nan 8.270 nan 0.000 0.478 348 F N 1.923 121.861 119.950 -0.019 0.000 2.443 348 F HA 0.289 4.816 4.527 -0.001 0.000 0.353 348 F C 0.443 176.252 175.800 0.015 0.000 1.101 348 F CA 0.345 58.343 58.000 -0.002 0.000 1.226 348 F CB 1.126 40.104 39.000 -0.038 0.000 1.140 348 F HN 0.413 nan 8.300 nan 0.000 0.557 349 Q N 2.637 122.575 119.800 0.229 0.000 2.269 349 Q HA 0.243 4.583 4.340 -0.000 0.000 0.263 349 Q C -0.657 175.422 176.000 0.133 0.000 0.983 349 Q CA -0.807 55.082 55.803 0.143 0.000 0.777 349 Q CB 1.572 30.374 28.738 0.106 0.000 1.273 349 Q HN 0.625 nan 8.270 nan 0.000 0.440 350 N N 1.393 120.151 118.700 0.096 0.000 2.735 350 N HA -0.222 4.518 4.740 -0.000 0.000 0.248 350 N C 0.480 176.037 175.510 0.079 0.000 1.083 350 N CA 1.533 54.624 53.050 0.067 0.000 0.703 350 N CB -1.031 37.490 38.487 0.057 0.000 1.005 350 N HN 1.142 nan 8.380 nan 0.000 0.550 351 G N -1.507 107.354 108.800 0.100 0.000 2.159 351 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.256 351 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.256 351 G C -0.122 174.937 174.900 0.265 0.000 0.977 351 G CA 0.483 45.635 45.100 0.087 0.000 0.652 351 G HN 0.598 nan 8.290 nan 0.000 0.531 352 N N 0.119 119.028 118.700 0.347 0.000 2.258 352 N HA 0.494 5.234 4.740 -0.000 0.000 0.299 352 N C -1.480 174.152 175.510 0.203 0.000 1.047 352 N CA -0.718 52.523 53.050 0.318 0.000 0.814 352 N CB 1.675 40.259 38.487 0.162 0.000 1.413 352 N HN 0.119 nan 8.380 nan 0.000 0.478 353 D N 1.353 121.731 120.400 -0.037 0.000 2.352 353 D HA 0.036 4.676 4.640 -0.000 0.000 0.245 353 D C 1.137 177.437 176.300 -0.001 0.000 1.224 353 D CA -0.514 53.284 54.000 -0.336 0.000 0.879 353 D CB 0.751 41.270 40.800 -0.469 0.000 1.057 353 D HN 0.397 nan 8.370 nan 0.000 0.491 354 V N 1.833 121.776 119.914 0.049 0.000 3.141 354 V HA 0.010 4.130 4.120 -0.000 0.000 0.265 354 V C 0.745 177.026 176.094 0.311 0.000 1.126 354 V CA 0.818 63.233 62.300 0.192 0.000 1.141 354 V CB -0.472 31.459 31.823 0.180 0.000 0.743 354 V HN 0.359 nan 8.190 nan 0.000 0.492 355 N N 1.792 120.585 118.700 0.156 0.000 2.321 355 N HA 0.081 4.821 4.740 -0.000 0.000 0.242 355 N C 0.796 176.220 175.510 -0.143 0.000 1.141 355 N CA 0.709 53.728 53.050 -0.052 0.000 0.864 355 N CB 0.228 38.718 38.487 0.005 0.000 1.100 355 N HN 0.795 nan 8.380 nan 0.000 0.510 356 D N -0.484 119.987 120.400 0.119 0.000 2.378 356 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 356 D C 1.520 178.039 176.300 0.364 0.000 1.012 356 D CA 0.188 54.289 54.000 0.168 0.000 0.905 356 D CB -0.409 40.607 40.800 0.360 0.000 0.895 356 D HN 0.490 nan 8.370 nan 0.000 0.532 357 W N 0.728 122.270 121.300 0.403 0.000 2.812 357 W HA 0.276 4.936 4.660 -0.000 0.000 0.263 357 W C -0.180 176.475 176.519 0.227 0.000 1.284 357 W CA -0.585 56.995 57.345 0.392 0.000 1.430 357 W CB -0.738 28.925 29.460 0.338 0.000 1.088 357 W HN -0.306 nan 8.180 nan 0.000 0.623 358 V N 3.601 123.071 119.914 -0.741 0.000 2.625 358 V HA 0.073 4.193 4.120 -0.000 0.000 0.305 358 V C 1.478 177.581 176.094 0.014 0.000 1.055 358 V CA 1.078 62.999 62.300 -0.633 0.000 1.209 358 V CB -0.607 30.878 31.823 -0.563 0.000 0.877 358 V HN 0.184 nan 8.190 nan 0.000 0.489 359 G N 6.885 115.680 108.800 -0.008 0.000 2.553 359 G HA2 0.445 4.405 3.960 -0.000 0.000 0.278 359 G HA3 0.445 4.405 3.960 -0.000 0.000 0.278 359 G C -2.262 172.348 174.900 -0.483 0.000 1.349 359 G CA -0.980 44.088 45.100 -0.053 0.000 1.037 359 G HN 0.654 nan 8.290 nan 0.000 0.508 360 P HA 0.177 nan 4.420 nan 0.000 0.270 360 P C -2.659 174.132 177.300 -0.847 0.000 1.223 360 P CA -0.994 61.276 63.100 -1.383 0.000 0.785 360 P CB -0.015 31.223 31.700 -0.771 0.000 0.923 361 P HA 0.007 nan 4.420 nan 0.000 0.261 361 P C -0.283 176.828 177.300 -0.314 0.000 1.173 361 P CA 0.862 63.616 63.100 -0.577 0.000 0.760 361 P CB -0.210 31.012 31.700 -0.797 0.000 0.783 362 N N 0.957 119.557 118.700 -0.167 0.000 2.825 362 N HA 0.383 5.123 4.740 -0.000 0.000 0.253 362 N C -1.588 173.920 175.510 -0.004 0.000 1.426 362 N CA -1.066 51.944 53.050 -0.068 0.000 0.851 362 N CB 1.211 39.671 38.487 -0.046 0.000 1.470 362 N HN 0.089 nan 8.380 nan 0.000 0.517 363 N N 0.228 118.942 118.700 0.024 0.000 2.573 363 N HA 0.379 5.119 4.740 -0.000 0.000 0.262 363 N C -1.140 174.418 175.510 0.081 0.000 1.029 363 N CA -0.788 52.286 53.050 0.039 0.000 0.882 363 N CB 0.752 39.251 38.487 0.019 0.000 1.204 363 N HN 0.586 nan 8.380 nan 0.000 0.519 364 N N 1.866 120.640 118.700 0.123 0.000 2.725 364 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 364 N C 0.830 176.537 175.510 0.329 0.000 1.103 364 N CA 1.261 54.426 53.050 0.190 0.000 0.707 364 N CB -1.034 37.517 38.487 0.107 0.000 1.043 364 N HN 1.011 nan 8.380 nan 0.000 0.553 365 G N -2.156 106.848 108.800 0.339 0.000 2.217 365 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.246 365 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.246 365 G C 0.001 174.897 174.900 -0.006 0.000 0.990 365 G CA 0.211 45.378 45.100 0.111 0.000 0.627 365 G HN 0.428 nan 8.290 nan 0.000 0.522 366 V N 3.095 123.025 119.914 0.027 0.000 2.385 366 V HA 0.411 4.531 4.120 -0.000 0.000 0.269 366 V C 1.295 177.369 176.094 -0.033 0.000 1.043 366 V CA -0.677 61.614 62.300 -0.014 0.000 0.906 366 V CB 1.099 32.925 31.823 0.004 0.000 0.995 366 V HN 0.350 nan 8.190 nan 0.000 0.467 367 I N 5.127 125.659 120.570 -0.064 0.000 2.826 367 I HA -0.018 4.152 4.170 -0.000 0.000 0.295 367 I C 0.982 177.099 176.117 0.000 0.000 1.213 367 I CA 0.391 61.661 61.300 -0.050 0.000 1.436 367 I CB 0.078 38.045 38.000 -0.055 0.000 1.348 367 I HN 0.581 nan 8.210 nan 0.000 0.570 368 K N 5.979 126.403 120.400 0.040 0.000 2.295 368 K HA 0.078 4.398 4.320 -0.000 0.000 0.270 368 K C 0.337 177.021 176.600 0.140 0.000 1.011 368 K CA -0.549 55.785 56.287 0.079 0.000 0.953 368 K CB 0.534 33.072 32.500 0.063 0.000 0.956 368 K HN 0.508 nan 8.250 nan 0.000 0.477 369 E N 1.613 121.829 120.200 0.026 0.000 2.373 369 E HA 0.054 4.404 4.350 -0.000 0.000 0.263 369 E C -0.594 175.903 176.600 -0.171 0.000 1.073 369 E CA -0.493 55.839 56.400 -0.115 0.000 0.894 369 E CB 0.782 30.420 29.700 -0.103 0.000 1.008 369 E HN 0.118 nan 8.360 nan 0.000 0.420 370 V N 3.217 122.795 119.914 -0.560 0.000 2.427 370 V HA 0.141 4.261 4.120 -0.000 0.000 0.268 370 V C 0.558 176.471 176.094 -0.301 0.000 1.046 370 V CA 0.035 61.895 62.300 -0.735 0.000 0.970 370 V CB 0.246 31.227 31.823 -1.404 0.000 1.001 370 V HN 0.808 nan 8.190 nan 0.000 0.476 371 T N 4.166 118.650 114.554 -0.116 0.000 2.867 371 T HA 0.686 5.036 4.350 -0.000 0.000 0.282 371 T C -0.528 174.149 174.700 -0.038 0.000 1.000 371 T CA -0.795 61.272 62.100 -0.055 0.000 1.042 371 T CB 1.577 70.442 68.868 -0.006 0.000 0.973 371 T HN 0.219 nan 8.240 nan 0.000 0.465 372 I N 3.232 123.785 120.570 -0.029 0.000 2.354 372 I HA 0.352 4.522 4.170 -0.000 0.000 0.292 372 I C 0.215 176.333 176.117 0.001 0.000 0.989 372 I CA -1.007 60.284 61.300 -0.016 0.000 1.188 372 I CB 1.139 39.131 38.000 -0.014 0.000 1.342 372 I HN 0.695 nan 8.210 nan 0.000 0.457 373 N N 8.427 127.132 118.700 0.008 0.000 2.483 373 N HA 0.261 5.001 4.740 -0.000 0.000 0.269 373 N C -1.474 174.045 175.510 0.016 0.000 1.209 373 N CA -1.284 51.773 53.050 0.013 0.000 0.969 373 N CB 0.761 39.258 38.487 0.016 0.000 1.173 373 N HN 0.351 nan 8.380 nan 0.000 0.475 374 P HA -0.169 nan 4.420 nan 0.000 0.218 374 P C 0.331 177.646 177.300 0.025 0.000 1.146 374 P CA 1.400 64.512 63.100 0.020 0.000 0.813 374 P CB 0.201 31.911 31.700 0.017 0.000 0.778 375 D N -1.334 119.079 120.400 0.022 0.000 2.325 375 D HA -0.034 4.606 4.640 -0.000 0.000 0.225 375 D C 0.811 177.132 176.300 0.036 0.000 1.096 375 D CA 1.021 55.036 54.000 0.026 0.000 0.844 375 D CB -0.907 39.903 40.800 0.016 0.000 0.925 375 D HN 0.268 nan 8.370 nan 0.000 0.513 376 T N -3.188 111.385 114.554 0.032 0.000 6.412 376 T HA -0.253 4.097 4.350 -0.000 0.000 0.279 376 T C 0.486 175.180 174.700 -0.011 0.000 2.177 376 T CA 1.583 63.697 62.100 0.024 0.000 3.599 376 T CB -2.904 66.007 68.868 0.072 0.000 1.259 376 T HN 0.549 nan 8.240 nan 0.000 1.146 377 T N -0.926 113.636 114.554 0.013 0.000 2.770 377 T HA 0.672 5.022 4.350 -0.000 0.000 0.281 377 T C 0.893 175.607 174.700 0.023 0.000 0.981 377 T CA -0.247 61.872 62.100 0.031 0.000 0.955 377 T CB 1.254 70.149 68.868 0.045 0.000 1.060 377 T HN 0.609 nan 8.240 nan 0.000 0.531 378 c N 0.192 118.828 118.600 0.060 0.000 2.399 378 c HA 0.907 5.477 4.570 -0.000 0.000 0.348 378 c C 1.283 175.427 174.090 0.090 0.000 1.183 378 c CA -0.327 56.043 56.329 0.070 0.000 2.023 378 c CB 0.856 43.439 42.510 0.122 0.000 2.361 378 c HN 1.199 nan 8.230 nan 0.000 0.521 379 G N 0.143 108.998 108.800 0.093 0.000 3.075 379 G HA2 0.474 4.434 3.960 -0.000 0.000 0.253 379 G HA3 0.474 4.434 3.960 -0.000 0.000 0.253 379 G C -0.111 174.872 174.900 0.139 0.000 1.353 379 G CA -0.206 44.944 45.100 0.084 0.000 1.051 379 G HN 0.753 nan 8.290 nan 0.000 0.553 380 N N 0.248 118.987 118.700 0.064 0.000 2.714 380 N HA -0.155 4.585 4.740 -0.000 0.000 0.250 380 N C -0.119 175.278 175.510 -0.189 0.000 1.117 380 N CA 1.363 54.418 53.050 0.008 0.000 0.719 380 N CB -0.550 38.012 38.487 0.125 0.000 1.081 380 N HN 0.681 nan 8.380 nan 0.000 0.557 381 D N -3.643 116.679 120.400 -0.129 0.000 3.090 381 D HA -0.224 4.416 4.640 -0.000 0.000 0.215 381 D C -0.421 175.720 176.300 -0.265 0.000 1.140 381 D CA 1.034 54.917 54.000 -0.194 0.000 0.937 381 D CB -1.512 39.151 40.800 -0.228 0.000 1.108 381 D HN 0.526 nan 8.370 nan 0.000 0.420 382 W N 0.259 121.540 121.300 -0.033 0.000 2.322 382 W HA 0.388 5.048 4.660 0.000 0.000 0.307 382 W C 1.686 178.194 176.519 -0.019 0.000 1.220 382 W CA -0.909 56.430 57.345 -0.009 0.000 1.210 382 W CB 0.828 30.236 29.460 -0.087 0.000 1.223 382 W HN -0.274 nan 8.180 nan 0.000 0.511 383 V N 2.316 122.293 119.914 0.104 0.000 2.453 383 V HA -0.237 3.883 4.120 -0.000 0.000 0.247 383 V C 1.195 177.352 176.094 0.104 0.000 1.048 383 V CA 0.569 62.836 62.300 -0.054 0.000 1.049 383 V CB -0.880 30.596 31.823 -0.578 0.000 0.672 383 V HN 0.862 nan 8.190 nan 0.000 0.457 384 c N 1.294 119.989 118.600 0.159 0.000 3.896 384 c HA -0.155 4.415 4.570 -0.000 0.000 0.300 384 c C 1.649 175.601 174.090 -0.230 0.000 1.322 384 c CA 0.503 56.894 56.329 0.103 0.000 2.130 384 c CB -2.512 40.033 42.510 0.059 0.000 1.363 384 c HN 0.680 nan 8.230 nan 0.000 0.642 385 E N 0.456 120.393 120.200 -0.438 0.000 2.153 385 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 385 E C 1.975 178.286 176.600 -0.481 0.000 0.988 385 E CA 1.615 57.360 56.400 -1.092 0.000 0.811 385 E CB -0.166 29.076 29.700 -0.764 0.000 0.746 385 E HN 0.974 nan 8.360 nan 0.000 0.466 386 H N -0.017 118.927 119.070 -0.211 0.000 2.543 386 H HA 0.072 4.628 4.556 -0.000 0.000 0.286 386 H C 1.319 176.721 175.328 0.123 0.000 1.037 386 H CA 0.941 56.990 56.048 0.002 0.000 1.250 386 H CB -0.023 29.652 29.762 -0.145 0.000 1.373 386 H HN 0.083 nan 8.280 nan 0.000 0.580 387 R N -0.666 119.568 120.500 -0.442 0.000 2.312 387 R HA 0.056 4.396 4.340 -0.000 0.000 0.205 387 R C -0.198 176.234 176.300 0.221 0.000 0.904 387 R CA -0.433 55.521 56.100 -0.243 0.000 1.052 387 R CB 0.271 30.246 30.300 -0.540 0.000 1.014 387 R HN 0.104 nan 8.270 nan 0.000 0.503 388 W N 1.964 123.285 121.300 0.035 0.000 2.308 388 W HA 0.103 4.763 4.660 -0.000 0.000 0.324 388 W C 1.562 178.156 176.519 0.125 0.000 1.387 388 W CA -0.921 56.475 57.345 0.084 0.000 1.250 388 W CB -0.009 29.523 29.460 0.120 0.000 1.257 388 W HN 0.090 nan 8.180 nan 0.000 0.554 389 R N 1.829 122.508 120.500 0.298 0.000 2.113 389 R HA -0.317 4.022 4.340 -0.000 0.000 0.244 389 R C 1.715 178.140 176.300 0.208 0.000 1.142 389 R CA 2.554 58.783 56.100 0.214 0.000 0.953 389 R CB -0.006 30.367 30.300 0.122 0.000 0.860 389 R HN 0.483 nan 8.270 nan 0.000 0.438 390 Q N 0.076 120.007 119.800 0.218 0.000 2.135 390 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 390 Q C 2.020 178.168 176.000 0.247 0.000 0.981 390 Q CA 1.830 57.751 55.803 0.197 0.000 0.856 390 Q CB -0.073 28.807 28.738 0.238 0.000 0.902 390 Q HN 0.487 nan 8.270 nan 0.000 0.425 391 I N -0.349 120.406 120.570 0.309 0.000 2.400 391 I HA -0.134 4.035 4.170 -0.000 0.000 0.248 391 I C 2.501 178.758 176.117 0.234 0.000 1.109 391 I CA 0.503 61.951 61.300 0.247 0.000 1.425 391 I CB -0.249 37.887 38.000 0.226 0.000 1.094 391 I HN 0.156 nan 8.210 nan 0.000 0.425 392 R N 1.577 122.260 120.500 0.304 0.000 2.091 392 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 392 R C 1.752 178.154 176.300 0.170 0.000 1.136 392 R CA 1.835 58.133 56.100 0.329 0.000 0.959 392 R CB -0.417 30.141 30.300 0.430 0.000 0.856 392 R HN 0.317 nan 8.270 nan 0.000 0.437 393 N N 0.129 118.931 118.700 0.169 0.000 2.309 393 N HA -0.094 4.645 4.740 -0.000 0.000 0.182 393 N C 1.538 177.139 175.510 0.151 0.000 1.018 393 N CA 1.022 54.161 53.050 0.149 0.000 0.876 393 N CB -0.084 38.490 38.487 0.145 0.000 0.972 393 N HN 0.229 nan 8.380 nan 0.000 0.434 394 M N -0.262 119.409 119.600 0.119 0.000 2.447 394 M HA 0.068 4.548 4.480 -0.000 0.000 0.264 394 M C 1.794 178.129 176.300 0.059 0.000 1.095 394 M CA 0.351 55.705 55.300 0.091 0.000 1.125 394 M CB -0.498 32.131 32.600 0.049 0.000 1.389 394 M HN -0.115 nan 8.290 nan 0.000 0.459 395 V N 0.522 120.419 119.914 -0.027 0.000 2.427 395 V HA -0.234 3.886 4.120 -0.000 0.000 0.248 395 V C 2.301 178.285 176.094 -0.184 0.000 1.051 395 V CA 1.432 63.614 62.300 -0.196 0.000 1.048 395 V CB -0.436 31.078 31.823 -0.514 0.000 0.666 395 V HN 0.344 nan 8.190 nan 0.000 0.456 396 I N -0.984 119.514 120.570 -0.120 0.000 2.353 396 I HA -0.215 3.954 4.170 -0.000 0.000 0.248 396 I C 2.302 178.326 176.117 -0.156 0.000 1.119 396 I CA 1.548 62.770 61.300 -0.130 0.000 1.417 396 I CB -0.414 37.549 38.000 -0.063 0.000 1.078 396 I HN 0.323 nan 8.210 nan 0.000 0.421 397 F N 2.009 121.820 119.950 -0.231 0.000 2.091 397 F HA -0.275 4.252 4.527 -0.000 0.000 0.299 397 F C 2.705 178.393 175.800 -0.185 0.000 1.103 397 F CA 1.795 59.636 58.000 -0.263 0.000 1.228 397 F CB -0.343 38.633 39.000 -0.040 0.000 0.984 397 F HN -0.150 nan 8.300 nan 0.000 0.477 398 R N 0.205 120.818 120.500 0.188 0.000 2.096 398 R HA -0.176 4.164 4.340 -0.000 0.000 0.235 398 R C 2.040 178.298 176.300 -0.069 0.000 1.127 398 R CA 1.658 57.811 56.100 0.088 0.000 0.968 398 R CB -0.331 29.987 30.300 0.030 0.000 0.861 398 R HN 0.303 nan 8.270 nan 0.000 0.440 399 N N -0.007 118.619 118.700 -0.123 0.000 2.084 399 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 399 N C 1.792 177.204 175.510 -0.163 0.000 1.030 399 N CA 1.390 54.359 53.050 -0.135 0.000 0.849 399 N CB -0.416 37.984 38.487 -0.145 0.000 1.012 399 N HN 0.032 nan 8.380 nan 0.000 0.423 400 V N 1.165 120.924 119.914 -0.259 0.000 2.343 400 V HA -0.143 3.977 4.120 -0.000 0.000 0.247 400 V C 2.127 178.070 176.094 -0.252 0.000 1.051 400 V CA 1.609 63.735 62.300 -0.289 0.000 1.036 400 V CB -0.602 30.920 31.823 -0.502 0.000 0.654 400 V HN 0.317 nan 8.190 nan 0.000 0.451 401 V N -1.832 117.895 119.914 -0.310 0.000 3.633 401 V HA 0.234 4.353 4.120 -0.000 0.000 0.283 401 V C 0.609 176.649 176.094 -0.091 0.000 1.305 401 V CA -0.171 61.996 62.300 -0.221 0.000 1.153 401 V CB -0.535 31.096 31.823 -0.321 0.000 0.950 401 V HN 0.468 nan 8.190 nan 0.000 0.432 402 D N 1.458 121.811 120.400 -0.080 0.000 2.531 402 D HA 0.378 5.018 4.640 -0.000 0.000 0.239 402 D C 1.486 177.774 176.300 -0.020 0.000 1.144 402 D CA 2.143 56.121 54.000 -0.036 0.000 0.869 402 D CB 0.436 41.213 40.800 -0.038 0.000 1.160 402 D HN 0.589 nan 8.370 nan 0.000 0.484 403 G N 2.990 111.789 108.800 -0.002 0.000 2.268 403 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.240 403 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.240 403 G C 0.229 175.140 174.900 0.017 0.000 1.010 403 G CA 0.036 45.138 45.100 0.005 0.000 0.618 403 G HN 0.590 nan 8.290 nan 0.000 0.516 404 Q N 1.828 121.640 119.800 0.020 0.000 2.352 404 Q HA 0.378 4.718 4.340 -0.000 0.000 0.260 404 Q C -1.930 174.113 176.000 0.073 0.000 0.976 404 Q CA -1.117 54.710 55.803 0.040 0.000 0.881 404 Q CB 1.104 29.861 28.738 0.032 0.000 1.235 404 Q HN 0.451 nan 8.270 nan 0.000 0.419 405 P HA 0.108 nan 4.420 nan 0.000 0.276 405 P C -0.710 176.699 177.300 0.180 0.000 1.244 405 P CA -0.447 62.724 63.100 0.118 0.000 0.801 405 P CB 0.497 32.255 31.700 0.098 0.000 1.006 406 F N 2.704 122.664 119.950 0.017 0.000 2.471 406 F HA 0.327 4.854 4.527 -0.000 0.000 0.365 406 F C 0.261 176.125 175.800 0.106 0.000 1.095 406 F CA 0.836 58.846 58.000 0.017 0.000 1.174 406 F CB 0.027 38.943 39.000 -0.141 0.000 1.105 406 F HN 0.408 nan 8.300 nan 0.000 0.535 407 T N 1.687 116.132 114.554 -0.181 0.000 2.681 407 T HA 0.302 4.652 4.350 -0.000 0.000 0.296 407 T C -0.307 174.382 174.700 -0.018 0.000 1.157 407 T CA -1.176 60.882 62.100 -0.071 0.000 1.025 407 T CB 1.224 70.128 68.868 0.061 0.000 1.441 407 T HN 0.473 nan 8.240 nan 0.000 0.504 408 N N 0.650 119.414 118.700 0.107 0.000 2.714 408 N HA -0.134 4.606 4.740 -0.000 0.000 0.252 408 N C -0.411 175.257 175.510 0.264 0.000 1.014 408 N CA 0.630 53.805 53.050 0.209 0.000 0.735 408 N CB -0.762 37.890 38.487 0.276 0.000 0.924 408 N HN 0.723 nan 8.380 nan 0.000 0.540 409 W N 0.911 122.229 121.300 0.030 0.000 2.181 409 W HA 0.300 4.960 4.660 -0.000 0.000 0.335 409 W C -0.411 176.243 176.519 0.225 0.000 1.310 409 W CA -0.009 57.386 57.345 0.084 0.000 1.226 409 W CB 0.306 29.784 29.460 0.029 0.000 1.155 409 W HN 0.221 nan 8.180 nan 0.000 0.565 410 Y N 4.937 124.776 120.300 -0.769 0.000 2.513 410 Y HA 0.376 4.926 4.550 -0.000 0.000 0.340 410 Y C -1.628 173.838 175.900 -0.723 0.000 1.055 410 Y CA -0.926 56.897 58.100 -0.461 0.000 1.020 410 Y CB 1.365 39.739 38.460 -0.145 0.000 1.301 410 Y HN 0.528 nan 8.280 nan 0.000 0.453 411 D N 1.897 121.407 120.400 -1.483 0.000 2.654 411 D HA 0.205 4.845 4.640 -0.000 0.000 0.231 411 D C -1.167 174.604 176.300 -0.882 0.000 1.239 411 D CA -0.802 52.630 54.000 -0.946 0.000 0.790 411 D CB 0.988 41.681 40.800 -0.178 0.000 1.480 411 D HN 0.434 nan 8.370 nan 0.000 0.442 412 N N 0.983 119.466 118.700 -0.361 0.000 2.276 412 N HA 0.198 4.937 4.740 -0.000 0.000 0.212 412 N C 1.340 176.878 175.510 0.047 0.000 1.127 412 N CA 0.220 53.258 53.050 -0.021 0.000 0.834 412 N CB 0.283 38.920 38.487 0.251 0.000 1.014 412 N HN 1.046 nan 8.380 nan 0.000 0.491 413 G N -1.370 107.429 108.800 -0.002 0.000 2.184 413 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.264 413 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.264 413 G C 0.411 175.323 174.900 0.020 0.000 0.975 413 G CA 0.769 45.895 45.100 0.042 0.000 0.642 413 G HN 0.642 nan 8.290 nan 0.000 0.536 414 S N -0.847 114.859 115.700 0.010 0.000 3.657 414 S HA 0.421 4.891 4.470 -0.000 0.000 0.183 414 S C 0.964 175.486 174.600 -0.131 0.000 0.995 414 S CA 0.769 58.957 58.200 -0.021 0.000 1.333 414 S CB 0.162 63.443 63.200 0.135 0.000 1.197 414 S HN 0.307 nan 8.310 nan 0.000 0.856 415 N N 0.582 119.180 118.700 -0.170 0.000 2.291 415 N HA 0.347 5.087 4.740 -0.000 0.000 0.244 415 N C -1.300 174.065 175.510 -0.243 0.000 1.216 415 N CA -0.077 52.833 53.050 -0.234 0.000 0.879 415 N CB 1.165 39.489 38.487 -0.271 0.000 1.167 415 N HN 0.276 nan 8.380 nan 0.000 0.515 416 Q N 1.484 121.169 119.800 -0.192 0.000 2.381 416 Q HA 0.480 4.820 4.340 -0.000 0.000 0.263 416 Q C -0.871 174.997 176.000 -0.221 0.000 1.030 416 Q CA -0.738 54.935 55.803 -0.215 0.000 0.772 416 Q CB 2.156 30.853 28.738 -0.069 0.000 1.232 416 Q HN 0.107 nan 8.270 nan 0.000 0.476 417 V N -1.217 118.532 119.914 -0.275 0.000 3.102 417 V HA 1.061 5.180 4.120 -0.000 0.000 0.312 417 V C -1.109 174.786 176.094 -0.331 0.000 1.135 417 V CA -0.867 61.195 62.300 -0.396 0.000 1.022 417 V CB 1.945 33.494 31.823 -0.456 0.000 1.056 417 V HN 0.735 nan 8.190 nan 0.000 0.436 418 A N 1.903 124.435 122.820 -0.481 0.000 2.612 418 A HA 1.037 5.357 4.320 -0.000 0.000 0.293 418 A C -1.218 176.106 177.584 -0.433 0.000 1.075 418 A CA -0.219 51.510 52.037 -0.513 0.000 0.680 418 A CB 1.784 20.495 19.000 -0.481 0.000 1.279 418 A HN 2.435 nan 8.150 nan 0.000 0.411 419 F N -1.441 118.091 119.950 -0.697 0.000 2.770 419 F HA 0.805 5.332 4.527 -0.000 0.000 0.313 419 F C -0.125 175.356 175.800 -0.531 0.000 1.154 419 F CA -0.318 57.421 58.000 -0.434 0.000 0.923 419 F CB 0.688 39.579 39.000 -0.182 0.000 1.301 419 F HN 1.169 nan 8.300 nan 0.000 0.449 420 G N 0.567 109.449 108.800 0.137 0.000 2.600 420 G HA2 0.687 4.647 3.960 -0.000 0.000 0.303 420 G HA3 0.687 4.647 3.960 -0.000 0.000 0.303 420 G C -1.590 173.491 174.900 0.302 0.000 1.253 420 G CA -1.316 43.949 45.100 0.275 0.000 0.974 420 G HN 0.592 nan 8.290 nan 0.000 0.483 421 R N 0.397 121.052 120.500 0.258 0.000 2.352 421 R HA 0.495 4.835 4.340 -0.000 0.000 0.304 421 R C 0.892 177.262 176.300 0.117 0.000 1.104 421 R CA 0.069 56.291 56.100 0.203 0.000 0.991 421 R CB 0.354 30.765 30.300 0.185 0.000 1.140 421 R HN 1.268 nan 8.270 nan 0.000 0.540 422 G N 3.555 112.421 108.800 0.110 0.000 2.614 422 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.303 422 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.303 422 G C 0.306 175.249 174.900 0.071 0.000 1.270 422 G CA 0.613 45.759 45.100 0.077 0.000 0.988 422 G HN 0.672 nan 8.290 nan 0.000 0.551 423 N N 0.661 119.390 118.700 0.048 0.000 2.328 423 N HA 0.182 4.922 4.740 -0.000 0.000 0.247 423 N C 1.270 176.803 175.510 0.038 0.000 1.165 423 N CA -0.070 53.005 53.050 0.042 0.000 0.873 423 N CB 0.512 39.021 38.487 0.037 0.000 1.125 423 N HN 0.543 nan 8.380 nan 0.000 0.513 424 R N -0.504 120.008 120.500 0.021 0.000 2.344 424 R HA 0.338 4.678 4.340 -0.000 0.000 0.209 424 R C 0.446 176.714 176.300 -0.053 0.000 0.886 424 R CA 0.396 56.489 56.100 -0.011 0.000 1.040 424 R CB 1.209 31.473 30.300 -0.059 0.000 1.114 424 R HN 0.304 nan 8.270 nan 0.000 0.547 425 G N 0.385 109.167 108.800 -0.030 0.000 2.673 425 G HA2 0.509 4.469 3.960 -0.000 0.000 0.292 425 G HA3 0.509 4.469 3.960 -0.000 0.000 0.292 425 G C -2.072 172.977 174.900 0.250 0.000 1.450 425 G CA -0.435 44.654 45.100 -0.018 0.000 0.837 425 G HN -0.007 nan 8.290 nan 0.000 0.505 426 F N 0.418 120.452 119.950 0.141 0.000 2.628 426 F HA 0.797 5.324 4.527 -0.000 0.000 0.309 426 F C -1.184 174.549 175.800 -0.112 0.000 1.108 426 F CA -0.978 57.015 58.000 -0.013 0.000 0.971 426 F CB 2.041 40.990 39.000 -0.086 0.000 1.279 426 F HN 0.527 nan 8.300 nan 0.000 0.441 427 I N 5.516 125.488 120.570 -0.997 0.000 2.686 427 I HA 0.737 4.907 4.170 -0.000 0.000 0.295 427 I C -1.810 173.586 176.117 -1.202 0.000 1.114 427 I CA -0.765 59.956 61.300 -0.964 0.000 1.038 427 I CB 1.964 39.373 38.000 -0.985 0.000 1.238 427 I HN 0.375 nan 8.210 nan 0.000 0.420 428 V N 6.931 126.249 119.914 -0.993 0.000 2.656 428 V HA 0.538 4.657 4.120 -0.000 0.000 0.307 428 V C -1.027 174.595 176.094 -0.788 0.000 1.051 428 V CA -0.506 61.280 62.300 -0.856 0.000 0.893 428 V CB 1.785 33.121 31.823 -0.810 0.000 0.999 428 V HN 0.475 nan 8.190 nan 0.000 0.426 429 F N 2.506 122.195 119.950 -0.434 0.000 2.520 429 F HA 0.584 5.111 4.527 -0.000 0.000 0.322 429 F C 0.124 175.681 175.800 -0.406 0.000 1.103 429 F CA -0.619 57.194 58.000 -0.311 0.000 0.926 429 F CB 2.011 40.840 39.000 -0.285 0.000 1.154 429 F HN 0.466 nan 8.300 nan 0.000 0.453 430 N N 1.918 120.556 118.700 -0.103 0.000 2.573 430 N HA 0.199 4.939 4.740 -0.000 0.000 0.262 430 N C -0.941 174.482 175.510 -0.145 0.000 1.029 430 N CA -0.270 52.668 53.050 -0.186 0.000 0.882 430 N CB 0.566 38.972 38.487 -0.134 0.000 1.204 430 N HN 0.559 nan 8.380 nan 0.000 0.519 431 N N 1.930 120.504 118.700 -0.210 0.000 2.282 431 N HA 0.181 4.921 4.740 -0.000 0.000 0.240 431 N C -1.088 174.252 175.510 -0.284 0.000 1.182 431 N CA -0.188 52.736 53.050 -0.208 0.000 0.874 431 N CB 0.347 38.703 38.487 -0.218 0.000 1.126 431 N HN 0.491 nan 8.380 nan 0.000 0.516 432 D N -0.550 119.587 120.400 -0.438 0.000 2.332 432 D HA 0.152 4.792 4.640 -0.000 0.000 0.252 432 D C -0.094 175.884 176.300 -0.537 0.000 1.050 432 D CA -0.170 53.393 54.000 -0.727 0.000 0.970 432 D CB 0.988 40.847 40.800 -1.568 0.000 1.141 432 D HN 0.087 nan 8.370 nan 0.000 0.485 433 D N 0.777 120.953 120.400 -0.373 0.000 2.413 433 D HA 0.106 4.746 4.640 -0.000 0.000 0.237 433 D C -0.054 176.375 176.300 0.214 0.000 1.171 433 D CA 0.061 54.063 54.000 0.003 0.000 0.839 433 D CB -0.002 40.887 40.800 0.149 0.000 0.950 433 D HN 0.320 nan 8.370 nan 0.000 0.499 434 W N -1.123 120.213 121.300 0.060 0.000 3.042 434 W HA 0.513 5.173 4.660 -0.000 0.000 0.342 434 W C -0.517 176.060 176.519 0.097 0.000 1.240 434 W CA -1.020 56.366 57.345 0.069 0.000 1.166 434 W CB 0.054 29.552 29.460 0.064 0.000 1.469 434 W HN -0.424 nan 8.180 nan 0.000 0.579 435 S N 1.291 117.192 115.700 0.334 0.000 2.585 435 S HA 0.377 4.847 4.470 -0.000 0.000 0.273 435 S C -1.183 173.609 174.600 0.320 0.000 1.339 435 S CA -0.260 58.087 58.200 0.244 0.000 1.028 435 S CB 0.346 63.664 63.200 0.196 0.000 0.906 435 S HN 0.402 nan 8.310 nan 0.000 0.528 436 F N 2.036 122.042 119.950 0.094 0.000 2.449 436 F HA 0.552 5.079 4.527 -0.000 0.000 0.342 436 F C -0.074 175.769 175.800 0.072 0.000 1.127 436 F CA -0.343 57.710 58.000 0.088 0.000 0.975 436 F CB 1.298 40.312 39.000 0.023 0.000 1.146 436 F HN 0.426 nan 8.300 nan 0.000 0.444 437 S N 7.761 123.138 115.700 -0.539 0.000 2.673 437 S HA 0.713 5.183 4.470 -0.000 0.000 0.256 437 S C -2.007 172.276 174.600 -0.528 0.000 1.141 437 S CA -0.447 57.517 58.200 -0.394 0.000 1.109 437 S CB 0.381 63.579 63.200 -0.004 0.000 1.101 437 S HN 0.785 nan 8.310 nan 0.000 0.471 438 L N 3.466 124.172 121.223 -0.862 0.000 2.518 438 L HA 0.692 5.032 4.340 -0.000 0.000 0.257 438 L C -0.757 175.909 176.870 -0.339 0.000 0.980 438 L CA 0.003 54.534 54.840 -0.514 0.000 0.837 438 L CB 2.193 43.843 42.059 -0.682 0.000 1.410 438 L HN 0.471 nan 8.230 nan 0.000 0.410 439 T N 3.859 118.396 114.554 -0.029 0.000 2.767 439 T HA 0.740 5.090 4.350 -0.000 0.000 0.288 439 T C -0.752 173.952 174.700 0.006 0.000 0.963 439 T CA -0.099 62.043 62.100 0.069 0.000 1.019 439 T CB 0.547 69.487 68.868 0.120 0.000 0.923 439 T HN 0.324 nan 8.240 nan 0.000 0.468 440 L N 2.595 123.861 121.223 0.072 0.000 2.333 440 L HA 0.586 4.926 4.340 -0.000 0.000 0.263 440 L C -0.086 176.751 176.870 -0.055 0.000 1.014 440 L CA -1.093 53.748 54.840 0.003 0.000 0.820 440 L CB 1.583 43.663 42.059 0.035 0.000 1.352 440 L HN 0.409 nan 8.230 nan 0.000 0.421 441 Q N -0.004 119.749 119.800 -0.078 0.000 2.295 441 Q HA 0.315 4.655 4.340 -0.000 0.000 0.259 441 Q C 0.578 176.363 176.000 -0.359 0.000 0.976 441 Q CA 0.563 56.288 55.803 -0.130 0.000 0.923 441 Q CB 1.262 29.981 28.738 -0.031 0.000 1.185 441 Q HN 0.768 nan 8.270 nan 0.000 0.410 442 T N 0.258 114.499 114.554 -0.522 0.000 3.015 442 T HA 0.288 4.637 4.350 -0.000 0.000 0.250 442 T C 1.254 175.747 174.700 -0.346 0.000 1.057 442 T CA 0.440 61.960 62.100 -0.966 0.000 1.066 442 T CB -0.069 68.241 68.868 -0.930 0.000 0.959 442 T HN 1.072 nan 8.240 nan 0.000 0.488 443 G N 1.106 109.804 108.800 -0.170 0.000 2.162 443 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.260 443 G C -0.253 174.623 174.900 -0.040 0.000 0.976 443 G CA 0.253 45.323 45.100 -0.049 0.000 0.655 443 G HN 0.574 nan 8.290 nan 0.000 0.533 444 L N 1.868 123.033 121.223 -0.097 0.000 2.360 444 L HA 0.618 4.958 4.340 -0.000 0.000 0.271 444 L C -1.411 175.466 176.870 0.013 0.000 1.057 444 L CA -2.419 52.384 54.840 -0.061 0.000 0.803 444 L CB 0.890 42.808 42.059 -0.235 0.000 1.207 444 L HN -0.047 nan 8.230 nan 0.000 0.445 445 P HA 0.166 nan 4.420 nan 0.000 0.271 445 P C -0.864 176.542 177.300 0.177 0.000 1.218 445 P CA -0.522 62.647 63.100 0.115 0.000 0.780 445 P CB 0.672 32.438 31.700 0.109 0.000 0.901 446 A N 2.133 125.018 122.820 0.109 0.000 2.586 446 A HA 0.441 4.761 4.320 -0.000 0.000 0.231 446 A C 0.899 178.565 177.584 0.137 0.000 1.055 446 A CA 1.236 53.342 52.037 0.114 0.000 0.756 446 A CB -1.070 17.964 19.000 0.058 0.000 0.988 446 A HN 0.933 nan 8.150 nan 0.000 0.509 447 G N -0.443 108.451 108.800 0.156 0.000 2.359 447 G HA2 0.445 4.405 3.960 -0.000 0.000 0.293 447 G HA3 0.445 4.405 3.960 -0.000 0.000 0.293 447 G C -0.759 174.200 174.900 0.098 0.000 1.300 447 G CA -0.176 44.952 45.100 0.047 0.000 0.888 447 G HN 1.035 nan 8.290 nan 0.000 0.541 448 T N 1.125 115.647 114.554 -0.053 0.000 2.758 448 T HA 0.630 4.979 4.350 -0.000 0.000 0.285 448 T C -1.168 173.411 174.700 -0.201 0.000 0.981 448 T CA 0.091 62.170 62.100 -0.036 0.000 0.965 448 T CB 0.551 69.436 68.868 0.028 0.000 0.927 448 T HN 0.376 nan 8.240 nan 0.000 0.448 449 Y N 0.770 120.956 120.300 -0.190 0.000 2.409 449 Y HA 0.434 4.984 4.550 -0.000 0.000 0.339 449 Y C 0.548 176.332 175.900 -0.193 0.000 1.033 449 Y CA -1.189 56.813 58.100 -0.163 0.000 1.094 449 Y CB 0.942 39.327 38.460 -0.126 0.000 1.210 449 Y HN 0.560 nan 8.280 nan 0.000 0.456 450 c N 2.239 120.826 118.600 -0.022 0.000 2.435 450 c HA 0.176 4.746 4.570 -0.000 0.000 0.375 450 c C 0.322 174.381 174.090 -0.052 0.000 1.281 450 c CA -0.727 55.563 56.329 -0.064 0.000 1.963 450 c CB -0.340 42.127 42.510 -0.072 0.000 2.490 450 c HN 0.779 nan 8.230 nan 0.000 0.557 451 D N 1.554 121.916 120.400 -0.064 0.000 2.343 451 D HA 0.177 4.816 4.640 -0.000 0.000 0.255 451 D C 0.973 177.230 176.300 -0.072 0.000 1.187 451 D CA -0.322 53.639 54.000 -0.064 0.000 0.875 451 D CB 0.993 41.746 40.800 -0.079 0.000 1.136 451 D HN 0.428 nan 8.370 nan 0.000 0.469 452 V N 2.559 122.438 119.914 -0.059 0.000 3.573 452 V HA 0.018 4.137 4.120 -0.000 0.000 0.270 452 V C 1.432 177.490 176.094 -0.060 0.000 1.221 452 V CA 0.316 62.603 62.300 -0.022 0.000 1.163 452 V CB -0.663 31.206 31.823 0.077 0.000 0.847 452 V HN 0.523 nan 8.190 nan 0.000 0.468 453 I N 2.084 122.551 120.570 -0.170 0.000 2.556 453 I HA -0.013 4.157 4.170 -0.000 0.000 0.251 453 I C 2.749 178.756 176.117 -0.184 0.000 1.105 453 I CA 1.865 63.001 61.300 -0.273 0.000 1.436 453 I CB -1.030 36.571 38.000 -0.666 0.000 1.139 453 I HN 0.577 nan 8.210 nan 0.000 0.438 454 S N -0.108 115.494 115.700 -0.164 0.000 2.446 454 S HA 0.223 4.692 4.470 -0.000 0.000 0.225 454 S C 1.116 175.679 174.600 -0.060 0.000 1.016 454 S CA 0.506 58.643 58.200 -0.105 0.000 0.943 454 S CB -0.083 63.060 63.200 -0.095 0.000 0.786 454 S HN 0.421 nan 8.310 nan 0.000 0.508 455 G N -0.261 108.508 108.800 -0.052 0.000 2.846 455 G HA2 0.568 4.528 3.960 -0.000 0.000 0.299 455 G HA3 0.568 4.528 3.960 -0.000 0.000 0.299 455 G C -2.126 172.768 174.900 -0.010 0.000 1.242 455 G CA -0.552 44.533 45.100 -0.026 0.000 0.800 455 G HN 0.192 nan 8.290 nan 0.000 0.538 456 D N -0.505 119.893 120.400 -0.004 0.000 2.552 456 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 456 D C -0.968 175.328 176.300 -0.007 0.000 1.139 456 D CA -0.557 53.448 54.000 0.008 0.000 0.914 456 D CB 2.553 43.369 40.800 0.027 0.000 1.461 456 D HN 0.192 nan 8.370 nan 0.000 0.462 457 K N 1.997 122.394 120.400 -0.005 0.000 2.266 457 K HA 0.332 4.652 4.320 -0.000 0.000 0.274 457 K C -0.652 175.945 176.600 -0.006 0.000 1.090 457 K CA -0.359 55.917 56.287 -0.019 0.000 0.925 457 K CB -0.194 32.289 32.500 -0.029 0.000 1.225 457 K HN 0.437 nan 8.250 nan 0.000 0.458 458 I N 6.426 126.991 120.570 -0.008 0.000 2.417 458 I HA -0.009 4.161 4.170 -0.000 0.000 0.283 458 I C 0.007 176.119 176.117 -0.008 0.000 1.121 458 I CA -0.588 60.710 61.300 -0.002 0.000 1.211 458 I CB -0.039 37.962 38.000 0.002 0.000 1.492 458 I HN 0.692 nan 8.210 nan 0.000 0.522 459 N N 4.616 123.310 118.700 -0.010 0.000 2.609 459 N HA -0.262 4.478 4.740 -0.000 0.000 0.304 459 N C 0.629 176.129 175.510 -0.017 0.000 1.284 459 N CA 1.104 54.146 53.050 -0.014 0.000 0.702 459 N CB -0.807 37.675 38.487 -0.008 0.000 1.002 459 N HN 0.939 nan 8.380 nan 0.000 0.535 460 G N 0.926 109.710 108.800 -0.026 0.000 2.268 460 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.240 460 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.240 460 G C -0.093 174.792 174.900 -0.025 0.000 1.010 460 G CA 0.522 45.607 45.100 -0.026 0.000 0.618 460 G HN 0.891 nan 8.290 nan 0.000 0.516 461 N N -0.786 117.901 118.700 -0.023 0.000 2.357 461 N HA 0.602 5.342 4.740 -0.000 0.000 0.284 461 N C -0.863 174.632 175.510 -0.026 0.000 1.236 461 N CA 0.176 53.214 53.050 -0.020 0.000 0.774 461 N CB 1.804 40.284 38.487 -0.011 0.000 1.534 461 N HN 0.240 nan 8.380 nan 0.000 0.478 462 c N 0.202 118.785 118.600 -0.028 0.000 2.376 462 c HA 0.444 5.014 4.570 -0.000 0.000 0.335 462 c C 1.973 176.049 174.090 -0.023 0.000 1.229 462 c CA -0.520 55.788 56.329 -0.034 0.000 1.867 462 c CB 0.804 43.283 42.510 -0.052 0.000 2.319 462 c HN 0.860 nan 8.230 nan 0.000 0.515 463 T N -0.899 113.644 114.554 -0.019 0.000 3.065 463 T HA 0.292 4.642 4.350 -0.000 0.000 0.252 463 T C 0.826 175.516 174.700 -0.018 0.000 1.099 463 T CA 0.711 62.804 62.100 -0.013 0.000 1.063 463 T CB 0.136 69.001 68.868 -0.005 0.000 0.948 463 T HN 0.865 nan 8.240 nan 0.000 0.506 464 G N 0.853 109.636 108.800 -0.029 0.000 3.264 464 G HA2 0.655 4.615 3.960 -0.000 0.000 0.168 464 G HA3 0.655 4.615 3.960 -0.000 0.000 0.168 464 G C -0.697 174.177 174.900 -0.044 0.000 1.145 464 G CA -1.275 43.803 45.100 -0.035 0.000 0.855 464 G HN 0.402 nan 8.290 nan 0.000 0.629 465 I N 0.908 121.445 120.570 -0.054 0.000 2.752 465 I HA 0.144 4.314 4.170 -0.000 0.000 0.287 465 I C 0.015 176.069 176.117 -0.105 0.000 1.188 465 I CA 0.541 61.802 61.300 -0.064 0.000 1.427 465 I CB 0.779 38.745 38.000 -0.057 0.000 1.365 465 I HN 0.175 nan 8.210 nan 0.000 0.585 466 K N 6.314 126.620 120.400 -0.158 0.000 2.221 466 K HA 0.618 4.938 4.320 -0.000 0.000 0.258 466 K C -1.049 175.245 176.600 -0.510 0.000 0.944 466 K CA -0.632 55.471 56.287 -0.307 0.000 0.823 466 K CB 2.027 34.328 32.500 -0.330 0.000 1.113 466 K HN 0.322 nan 8.250 nan 0.000 0.431 467 I N 3.135 123.391 120.570 -0.523 0.000 2.474 467 I HA 0.289 4.459 4.170 -0.000 0.000 0.294 467 I C -0.881 174.880 176.117 -0.593 0.000 1.005 467 I CA -0.878 60.100 61.300 -0.538 0.000 1.113 467 I CB 1.265 39.050 38.000 -0.358 0.000 1.289 467 I HN 0.548 nan 8.210 nan 0.000 0.436 468 Y N 4.432 124.671 120.300 -0.101 0.000 2.334 468 Y HA 0.463 5.013 4.550 -0.000 0.000 0.336 468 Y C 0.169 176.031 175.900 -0.063 0.000 0.960 468 Y CA -0.942 57.134 58.100 -0.039 0.000 1.164 468 Y CB 1.558 39.988 38.460 -0.050 0.000 1.155 468 Y HN 0.151 nan 8.280 nan 0.000 0.478 469 V N 3.901 123.890 119.914 0.125 0.000 2.407 469 V HA 0.375 4.494 4.120 -0.000 0.000 0.278 469 V C 0.241 176.377 176.094 0.069 0.000 1.037 469 V CA -0.788 61.539 62.300 0.046 0.000 0.900 469 V CB 1.175 33.021 31.823 0.037 0.000 0.983 469 V HN 0.910 nan 8.190 nan 0.000 0.459 470 S N 2.642 118.357 115.700 0.025 0.000 2.661 470 S HA 0.215 4.684 4.470 -0.000 0.000 0.265 470 S C 0.770 175.379 174.600 0.016 0.000 1.225 470 S CA -0.563 57.649 58.200 0.019 0.000 0.986 470 S CB 0.760 63.961 63.200 0.002 0.000 1.008 470 S HN 0.666 nan 8.310 nan 0.000 0.565 471 D N 1.226 121.633 120.400 0.011 0.000 2.221 471 D HA -0.107 4.533 4.640 -0.000 0.000 0.204 471 D C 1.064 177.368 176.300 0.006 0.000 0.982 471 D CA 1.453 55.459 54.000 0.010 0.000 0.857 471 D CB -0.384 40.420 40.800 0.006 0.000 0.934 471 D HN 0.829 nan 8.370 nan 0.000 0.475 472 D N -1.051 119.348 120.400 -0.001 0.000 2.325 472 D HA 0.118 4.758 4.640 -0.000 0.000 0.225 472 D C 1.472 177.762 176.300 -0.016 0.000 1.096 472 D CA 0.562 54.559 54.000 -0.005 0.000 0.844 472 D CB 0.022 40.820 40.800 -0.004 0.000 0.925 472 D HN 0.211 nan 8.370 nan 0.000 0.513 473 G N 0.528 109.314 108.800 -0.023 0.000 2.179 473 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.260 473 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.260 473 G C 0.252 175.096 174.900 -0.094 0.000 0.977 473 G CA 0.185 45.251 45.100 -0.057 0.000 0.641 473 G HN 0.447 nan 8.290 nan 0.000 0.533 474 K N 0.553 120.917 120.400 -0.061 0.000 2.154 474 K HA 0.685 5.005 4.320 -0.000 0.000 0.264 474 K C 0.194 176.755 176.600 -0.066 0.000 1.008 474 K CA 0.388 56.639 56.287 -0.060 0.000 0.937 474 K CB 1.437 33.921 32.500 -0.026 0.000 1.002 474 K HN 0.830 nan 8.250 nan 0.000 0.469 475 A N 1.716 124.496 122.820 -0.067 0.000 2.566 475 A HA 0.277 4.597 4.320 -0.000 0.000 0.297 475 A C -1.849 175.629 177.584 -0.177 0.000 1.059 475 A CA -0.722 51.217 52.037 -0.163 0.000 0.691 475 A CB 0.971 19.773 19.000 -0.331 0.000 1.282 475 A HN 0.837 nan 8.150 nan 0.000 0.401 476 H N 0.464 119.355 119.070 -0.297 0.000 2.502 476 H HA 0.709 5.265 4.556 -0.000 0.000 0.327 476 H C -1.512 173.578 175.328 -0.397 0.000 1.099 476 H CA -0.004 55.923 56.048 -0.202 0.000 1.323 476 H CB 0.432 30.127 29.762 -0.113 0.000 1.450 476 H HN 0.420 nan 8.280 nan 0.000 0.502 477 F N 2.187 121.813 119.950 -0.539 0.000 2.540 477 F HA 0.359 4.886 4.527 -0.000 0.000 0.317 477 F C -0.138 175.480 175.800 -0.303 0.000 1.104 477 F CA -0.707 57.166 58.000 -0.211 0.000 0.913 477 F CB 2.153 41.208 39.000 0.092 0.000 1.170 477 F HN 0.432 nan 8.300 nan 0.000 0.450 478 S N 4.702 120.466 115.700 0.107 0.000 2.756 478 S HA 0.758 5.228 4.470 -0.000 0.000 0.303 478 S C -1.135 173.578 174.600 0.189 0.000 1.135 478 S CA -0.371 57.901 58.200 0.120 0.000 1.066 478 S CB 0.130 63.412 63.200 0.136 0.000 1.008 478 S HN 0.519 nan 8.310 nan 0.000 0.482 479 I N 3.674 124.400 120.570 0.259 0.000 2.439 479 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 479 I C 0.204 176.415 176.117 0.157 0.000 1.021 479 I CA -0.635 60.776 61.300 0.184 0.000 1.091 479 I CB 2.007 40.099 38.000 0.153 0.000 1.242 479 I HN 0.562 nan 8.210 nan 0.000 0.439 480 S N 4.602 120.366 115.700 0.107 0.000 2.565 480 S HA 0.108 4.578 4.470 -0.000 0.000 0.276 480 S C 1.337 175.977 174.600 0.067 0.000 1.326 480 S CA -0.619 57.637 58.200 0.093 0.000 1.045 480 S CB 0.608 63.854 63.200 0.076 0.000 0.918 480 S HN 0.762 nan 8.310 nan 0.000 0.505 481 N N 3.042 121.777 118.700 0.058 0.000 2.571 481 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 481 N C 0.541 176.070 175.510 0.033 0.000 1.154 481 N CA 0.339 53.402 53.050 0.022 0.000 0.907 481 N CB -0.137 38.353 38.487 0.005 0.000 0.977 481 N HN 0.384 nan 8.380 nan 0.000 0.449 482 S N -0.399 115.328 115.700 0.045 0.000 2.540 482 S HA 0.334 4.804 4.470 -0.000 0.000 0.218 482 S C 0.810 175.432 174.600 0.036 0.000 0.977 482 S CA -0.447 57.777 58.200 0.040 0.000 0.918 482 S CB 0.303 63.529 63.200 0.043 0.000 0.806 482 S HN 0.609 nan 8.310 nan 0.000 0.496 483 A N 1.580 124.423 122.820 0.038 0.000 2.483 483 A HA 0.258 4.578 4.320 -0.000 0.000 0.238 483 A C 1.402 179.005 177.584 0.032 0.000 1.070 483 A CA -0.133 51.923 52.037 0.032 0.000 0.770 483 A CB 0.152 19.171 19.000 0.032 0.000 1.008 483 A HN 0.236 nan 8.150 nan 0.000 0.497 484 E N 0.923 121.135 120.200 0.020 0.000 2.058 484 E HA -0.139 4.210 4.350 -0.000 0.000 0.194 484 E C -0.305 176.324 176.600 0.049 0.000 0.997 484 E CA 1.929 58.342 56.400 0.022 0.000 0.801 484 E CB 0.098 29.798 29.700 0.000 0.000 0.746 484 E HN 0.648 nan 8.360 nan 0.000 0.450 485 D N 0.598 121.021 120.400 0.039 0.000 2.454 485 D HA 0.131 4.771 4.640 -0.000 0.000 0.247 485 D C -2.215 174.150 176.300 0.108 0.000 1.129 485 D CA -1.483 52.577 54.000 0.100 0.000 0.877 485 D CB 1.561 42.336 40.800 -0.041 0.000 1.082 485 D HN 0.168 nan 8.370 nan 0.000 0.537 486 P HA 0.025 nan 4.420 nan 0.000 0.286 486 P C -0.690 176.748 177.300 0.231 0.000 1.577 486 P CA 0.004 63.200 63.100 0.159 0.000 0.805 486 P CB -0.790 30.971 31.700 0.100 0.000 1.706 487 F N -1.649 118.226 119.950 -0.126 0.000 2.654 487 F HA 0.650 5.177 4.527 -0.000 0.000 0.308 487 F C -1.608 174.025 175.800 -0.278 0.000 1.108 487 F CA -2.277 55.545 58.000 -0.297 0.000 0.957 487 F CB 0.681 39.400 39.000 -0.469 0.000 1.309 487 F HN -0.324 nan 8.300 nan 0.000 0.446 488 I N 2.235 122.582 120.570 -0.371 0.000 2.545 488 I HA 0.815 4.985 4.170 -0.000 0.000 0.292 488 I C -0.783 175.141 176.117 -0.322 0.000 1.040 488 I CA -1.194 59.915 61.300 -0.318 0.000 1.068 488 I CB 2.094 40.067 38.000 -0.045 0.000 1.251 488 I HN 1.020 nan 8.210 nan 0.000 0.424 489 A N 7.324 130.001 122.820 -0.239 0.000 2.398 489 A HA 0.901 5.221 4.320 -0.000 0.000 0.301 489 A C -0.904 176.715 177.584 0.058 0.000 1.041 489 A CA -0.483 51.472 52.037 -0.138 0.000 0.711 489 A CB 1.356 20.198 19.000 -0.263 0.000 1.240 489 A HN 0.719 nan 8.150 nan 0.000 0.420 490 I N 0.034 120.713 120.570 0.181 0.000 2.730 490 I HA 0.937 5.107 4.170 -0.000 0.000 0.298 490 I C -0.669 175.569 176.117 0.201 0.000 1.089 490 I CA -0.935 60.432 61.300 0.113 0.000 1.041 490 I CB 2.406 40.420 38.000 0.023 0.000 1.235 490 I HN 0.946 nan 8.210 nan 0.000 0.423 491 H N 2.739 121.918 119.070 0.181 0.000 2.966 491 H HA 0.744 5.300 4.556 -0.000 0.000 0.330 491 H C 0.457 175.896 175.328 0.185 0.000 1.292 491 H CA -0.371 55.708 56.048 0.051 0.000 1.127 491 H CB 1.151 30.801 29.762 -0.186 0.000 1.863 491 H HN 0.659 nan 8.280 nan 0.000 0.543 492 A N 0.133 123.144 122.820 0.319 0.000 1.958 492 A HA -0.212 4.108 4.320 -0.000 0.000 0.221 492 A C 1.569 179.282 177.584 0.214 0.000 1.178 492 A CA 2.040 54.233 52.037 0.258 0.000 0.642 492 A CB -0.687 18.390 19.000 0.128 0.000 0.816 492 A HN 0.720 nan 8.150 nan 0.000 0.453 493 E N -0.181 120.257 120.200 0.396 0.000 2.489 493 E HA -0.009 4.341 4.350 -0.000 0.000 0.193 493 E C 1.657 178.304 176.600 0.077 0.000 1.057 493 E CA 0.875 57.421 56.400 0.243 0.000 0.866 493 E CB -0.060 29.805 29.700 0.275 0.000 0.916 493 E HN 0.746 nan 8.360 nan 0.000 0.500 494 S N -0.249 115.345 115.700 -0.177 0.000 2.557 494 S HA 0.119 4.588 4.470 -0.000 0.000 0.223 494 S C 0.808 175.311 174.600 -0.161 0.000 0.969 494 S CA -0.422 57.637 58.200 -0.235 0.000 0.927 494 S CB 0.206 63.134 63.200 -0.453 0.000 0.806 494 S HN -0.028 nan 8.310 nan 0.000 0.489 495 K N 1.007 121.272 120.400 -0.225 0.000 2.326 495 K HA 0.304 4.624 4.320 -0.000 0.000 0.275 495 K C -0.367 176.039 176.600 -0.323 0.000 1.018 495 K CA -0.621 55.330 56.287 -0.559 0.000 0.962 495 K CB 0.352 32.402 32.500 -0.749 0.000 0.953 495 K HN 0.138 nan 8.250 nan 0.000 0.475 496 L N 0.000 121.031 121.223 -0.320 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.733 54.840 -0.178 0.000 0.813 496 L CB 0.000 41.980 42.059 -0.131 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502