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 3ij9_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 0.000 175.974 175.900 0.124 0.000 1.272 2 Y CA 0.000 58.201 58.100 0.168 0.000 1.940 2 Y CB 0.000 38.489 38.460 0.048 0.000 1.050 3 S N 4.197 119.975 115.700 0.130 0.000 2.513 3 S HA 0.224 4.694 4.470 -0.000 0.000 0.276 3 S C -1.978 172.320 174.600 -0.503 0.000 1.254 3 S CA -0.893 57.206 58.200 -0.167 0.000 1.053 3 S CB 1.346 64.498 63.200 -0.080 0.000 0.958 3 S HN -0.011 nan 8.310 nan 0.000 0.491 4 P HA -0.040 nan 4.420 nan 0.000 0.222 4 P C 0.040 177.074 177.300 -0.443 0.000 1.147 4 P CA 0.616 62.761 63.100 -1.592 0.000 0.790 4 P CB -0.080 30.506 31.700 -1.858 0.000 0.780 5 N N -2.458 116.099 118.700 -0.238 0.000 2.782 5 N HA -0.104 4.636 4.740 -0.000 0.000 0.251 5 N C -0.074 175.495 175.510 0.098 0.000 1.101 5 N CA 1.460 54.508 53.050 -0.003 0.000 0.764 5 N CB -2.334 36.158 38.487 0.008 0.000 1.122 5 N HN 0.333 nan 8.380 nan 0.000 0.561 6 T N -2.469 112.097 114.554 0.021 0.000 2.816 6 T HA 0.294 4.644 4.350 -0.000 0.000 0.282 6 T C 0.566 175.298 174.700 0.054 0.000 0.993 6 T CA -0.509 61.640 62.100 0.082 0.000 0.994 6 T CB 1.668 70.601 68.868 0.108 0.000 1.025 6 T HN 0.077 nan 8.240 nan 0.000 0.529 7 Q N 1.386 121.211 119.800 0.041 0.000 2.364 7 Q HA 0.070 4.410 4.340 -0.000 0.000 0.267 7 Q C 0.238 176.247 176.000 0.015 0.000 0.999 7 Q CA -0.160 55.653 55.803 0.017 0.000 0.886 7 Q CB 0.512 29.249 28.738 -0.001 0.000 1.243 7 Q HN 0.607 nan 8.270 nan 0.000 0.415 8 Q N 0.566 120.371 119.800 0.008 0.000 2.269 8 Q HA 0.031 4.371 4.340 -0.000 0.000 0.300 8 Q C 0.810 176.808 176.000 -0.004 0.000 1.070 8 Q CA 0.761 56.566 55.803 0.002 0.000 0.957 8 Q CB 0.104 28.842 28.738 -0.000 0.000 1.131 8 Q HN 1.045 nan 8.270 nan 0.000 0.377 9 G N 2.787 111.582 108.800 -0.008 0.000 2.232 9 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.226 9 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.226 9 G C -0.010 174.873 174.900 -0.028 0.000 0.996 9 G CA -0.398 44.688 45.100 -0.022 0.000 0.626 9 G HN 0.530 nan 8.290 nan 0.000 0.509 10 R N 1.185 121.681 120.500 -0.005 0.000 2.229 10 R HA 0.522 4.862 4.340 -0.000 0.000 0.332 10 R C 0.888 177.205 176.300 0.028 0.000 0.989 10 R CA 0.346 56.443 56.100 -0.004 0.000 0.842 10 R CB 0.976 31.292 30.300 0.027 0.000 1.119 10 R HN 0.336 nan 8.270 nan 0.000 0.456 11 T N -2.470 112.059 114.554 -0.041 0.000 3.129 11 T HA 0.225 4.575 4.350 -0.000 0.000 0.267 11 T C 0.385 174.861 174.700 -0.374 0.000 1.018 11 T CA -0.262 61.801 62.100 -0.062 0.000 0.903 11 T CB 0.414 69.227 68.868 -0.092 0.000 1.067 11 T HN 0.256 nan 8.240 nan 0.000 0.549 12 S N 1.157 116.672 115.700 -0.309 0.000 2.588 12 S HA 0.783 5.253 4.470 -0.000 0.000 0.275 12 S C -0.878 173.642 174.600 -0.133 0.000 1.130 12 S CA -1.073 56.846 58.200 -0.469 0.000 0.855 12 S CB 1.737 64.729 63.200 -0.348 0.000 1.116 12 S HN 0.591 nan 8.310 nan 0.000 0.472 13 I N -0.894 119.610 120.570 -0.110 0.000 2.740 13 I HA 0.920 5.090 4.170 -0.000 0.000 0.303 13 I C -0.923 175.255 176.117 0.101 0.000 1.044 13 I CA -1.065 60.301 61.300 0.111 0.000 1.064 13 I CB 1.785 39.869 38.000 0.140 0.000 1.249 13 I HN 0.421 nan 8.210 nan 0.000 0.433 14 V N 3.705 123.692 119.914 0.122 0.000 2.555 14 V HA 0.414 4.534 4.120 -0.000 0.000 0.302 14 V C -1.001 175.100 176.094 0.012 0.000 1.038 14 V CA -0.359 61.959 62.300 0.029 0.000 0.887 14 V CB 1.563 33.296 31.823 -0.150 0.000 0.991 14 V HN 0.873 nan 8.190 nan 0.000 0.434 15 H N 6.912 125.928 119.070 -0.090 0.000 2.911 15 H HA 0.382 4.938 4.556 -0.000 0.000 0.273 15 H C -0.259 174.984 175.328 -0.142 0.000 1.157 15 H CA -0.526 55.493 56.048 -0.049 0.000 1.402 15 H CB 0.304 30.070 29.762 0.006 0.000 1.463 15 H HN 0.613 nan 8.280 nan 0.000 0.475 16 L N 6.874 127.986 121.223 -0.185 0.000 2.423 16 L HA 0.067 4.407 4.340 -0.000 0.000 0.249 16 L C 0.155 176.900 176.870 -0.208 0.000 1.276 16 L CA -0.555 53.879 54.840 -0.677 0.000 1.199 16 L CB -0.806 40.603 42.059 -1.083 0.000 1.407 16 L HN 0.451 nan 8.230 nan 0.000 0.410 17 F N 4.248 123.938 119.950 -0.434 0.000 2.569 17 F HA -0.052 4.474 4.527 -0.001 0.000 0.395 17 F C 1.381 177.396 175.800 0.358 0.000 1.028 17 F CA 0.264 58.102 58.000 -0.270 0.000 1.158 17 F CB -0.171 38.579 39.000 -0.417 0.000 1.023 17 F HN 0.498 nan 8.300 nan 0.000 0.547 18 E N 2.500 122.718 120.200 0.031 0.000 3.496 18 E HA -0.304 4.046 4.350 -0.000 0.000 0.300 18 E C -0.539 176.177 176.600 0.192 0.000 0.877 18 E CA 0.865 57.258 56.400 -0.012 0.000 1.050 18 E CB -1.654 27.908 29.700 -0.230 0.000 1.532 18 E HN 0.619 nan 8.360 nan 0.000 0.447 19 W N 1.494 122.734 121.300 -0.101 0.000 2.150 19 W HA 0.202 4.862 4.660 -0.001 0.000 0.341 19 W C 1.479 177.837 176.519 -0.268 0.000 1.276 19 W CA 0.004 57.182 57.345 -0.279 0.000 1.238 19 W CB 0.293 29.590 29.460 -0.272 0.000 1.128 19 W HN -0.096 nan 8.180 nan 0.000 0.581 20 R N 1.784 122.200 120.500 -0.140 0.000 2.582 20 R HA 0.091 4.431 4.340 -0.000 0.000 0.271 20 R C 1.047 177.377 176.300 0.049 0.000 1.078 20 R CA -0.318 55.635 56.100 -0.245 0.000 1.127 20 R CB 0.534 30.711 30.300 -0.206 0.000 1.038 20 R HN 0.695 nan 8.270 nan 0.000 0.500 21 W N 0.708 122.050 121.300 0.070 0.000 2.338 21 W HA -0.228 4.432 4.660 -0.000 0.000 0.304 21 W C 1.958 178.486 176.519 0.015 0.000 1.212 21 W CA 0.195 57.571 57.345 0.052 0.000 1.264 21 W CB -0.315 29.192 29.460 0.078 0.000 1.142 21 W HN 0.432 nan 8.180 nan 0.000 0.512 22 V N 1.099 121.148 119.914 0.225 0.000 2.407 22 V HA -0.276 3.844 4.120 -0.000 0.000 0.248 22 V C 1.754 177.896 176.094 0.080 0.000 1.055 22 V CA 2.404 64.774 62.300 0.117 0.000 1.049 22 V CB -0.543 31.318 31.823 0.062 0.000 0.662 22 V HN 0.056 nan 8.190 nan 0.000 0.455 23 D N -0.172 120.261 120.400 0.054 0.000 2.144 23 D HA -0.073 4.567 4.640 -0.000 0.000 0.200 23 D C 2.068 178.492 176.300 0.207 0.000 0.978 23 D CA 1.656 55.670 54.000 0.023 0.000 0.833 23 D CB -0.097 40.576 40.800 -0.213 0.000 0.961 23 D HN 0.503 nan 8.370 nan 0.000 0.470 24 I N 1.124 121.859 120.570 0.276 0.000 2.252 24 I HA -0.221 3.948 4.170 -0.000 0.000 0.245 24 I C 2.498 178.664 176.117 0.082 0.000 1.102 24 I CA 0.773 62.199 61.300 0.210 0.000 1.385 24 I CB -0.209 37.907 38.000 0.193 0.000 1.064 24 I HN -0.092 nan 8.210 nan 0.000 0.414 25 A N 1.135 123.996 122.820 0.068 0.000 1.908 25 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 25 A C 2.303 179.901 177.584 0.025 0.000 1.181 25 A CA 1.530 53.574 52.037 0.011 0.000 0.627 25 A CB -0.848 18.159 19.000 0.012 0.000 0.818 25 A HN 0.375 nan 8.150 nan 0.000 0.445 26 L N -1.212 120.043 121.223 0.053 0.000 2.027 26 L HA -0.182 4.158 4.340 -0.000 0.000 0.206 26 L C 2.667 179.582 176.870 0.076 0.000 1.074 26 L CA 1.715 56.587 54.840 0.054 0.000 0.745 26 L CB -0.458 41.630 42.059 0.048 0.000 0.898 26 L HN 0.441 nan 8.230 nan 0.000 0.433 27 E N -0.326 119.941 120.200 0.110 0.000 2.118 27 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 27 E C 2.247 178.887 176.600 0.066 0.000 0.992 27 E CA 1.506 57.980 56.400 0.123 0.000 0.804 27 E CB -0.284 29.504 29.700 0.146 0.000 0.741 27 E HN 0.427 nan 8.360 nan 0.000 0.458 28 c N 0.427 119.035 118.600 0.015 0.000 2.413 28 c HA -0.120 4.450 4.570 -0.000 0.000 0.276 28 c C 2.369 176.469 174.090 0.017 0.000 1.236 28 c CA 1.307 57.629 56.329 -0.012 0.000 1.735 28 c CB -0.877 41.600 42.510 -0.054 0.000 2.031 28 c HN 0.544 nan 8.230 nan 0.000 0.474 29 E N 0.224 120.439 120.200 0.024 0.000 2.076 29 E HA -0.144 4.206 4.350 -0.000 0.000 0.190 29 E C 2.346 178.977 176.600 0.051 0.000 0.979 29 E CA 0.849 57.265 56.400 0.027 0.000 0.807 29 E CB -0.211 29.502 29.700 0.022 0.000 0.761 29 E HN 0.695 nan 8.360 nan 0.000 0.454 30 R N -0.956 119.593 120.500 0.083 0.000 2.210 30 R HA -0.002 4.338 4.340 -0.000 0.000 0.203 30 R C 1.159 177.567 176.300 0.180 0.000 1.010 30 R CA 0.984 57.151 56.100 0.112 0.000 1.008 30 R CB 0.076 30.448 30.300 0.119 0.000 0.923 30 R HN 0.222 nan 8.270 nan 0.000 0.469 31 Y N 0.028 120.348 120.300 0.032 0.000 3.087 31 Y HA 0.264 4.814 4.550 -0.000 0.000 0.227 31 Y C 1.815 177.748 175.900 0.054 0.000 1.015 31 Y CA -0.218 57.908 58.100 0.044 0.000 1.399 31 Y CB 0.284 38.764 38.460 0.032 0.000 1.483 31 Y HN -0.176 nan 8.280 nan 0.000 0.420 32 L N 0.368 121.695 121.223 0.173 0.000 2.012 32 L HA -0.238 4.101 4.340 -0.000 0.000 0.210 32 L C 2.599 179.570 176.870 0.169 0.000 1.073 32 L CA 1.692 56.599 54.840 0.110 0.000 0.748 32 L CB -1.012 41.031 42.059 -0.027 0.000 0.891 32 L HN 0.372 nan 8.230 nan 0.000 0.431 33 A N 0.442 123.310 122.820 0.079 0.000 1.855 33 A HA -0.095 4.225 4.320 -0.000 0.000 0.215 33 A C 0.101 177.705 177.584 0.035 0.000 1.191 33 A CA 1.556 53.623 52.037 0.051 0.000 0.613 33 A CB -1.868 17.143 19.000 0.017 0.000 0.829 33 A HN 0.304 nan 8.150 nan 0.000 0.442 34 P HA -0.102 nan 4.420 nan 0.000 0.218 34 P C 0.833 178.103 177.300 -0.049 0.000 1.148 34 P CA 1.256 64.337 63.100 -0.032 0.000 0.822 34 P CB 0.020 31.685 31.700 -0.058 0.000 0.784 35 K N -1.523 118.850 120.400 -0.045 0.000 2.444 35 K HA 0.303 4.623 4.320 -0.000 0.000 0.193 35 K C 1.206 177.836 176.600 0.050 0.000 1.024 35 K CA 0.543 56.823 56.287 -0.011 0.000 1.077 35 K CB -0.872 31.623 32.500 -0.008 0.000 0.833 35 K HN 0.139 nan 8.250 nan 0.000 0.517 36 G N 0.467 109.306 108.800 0.065 0.000 2.143 36 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.248 36 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.248 36 G C -0.175 174.714 174.900 -0.019 0.000 0.991 36 G CA -0.324 44.776 45.100 -0.000 0.000 0.689 36 G HN 0.188 nan 8.290 nan 0.000 0.522 37 F N 0.649 120.602 119.950 0.006 0.000 2.484 37 F HA 0.478 5.004 4.527 -0.000 0.000 0.360 37 F C 1.851 177.664 175.800 0.022 0.000 1.101 37 F CA 1.035 59.046 58.000 0.019 0.000 1.251 37 F CB 1.258 40.281 39.000 0.039 0.000 1.132 37 F HN 0.003 nan 8.300 nan 0.000 0.570 38 G N 1.606 110.509 108.800 0.172 0.000 2.408 38 G HA2 0.377 4.336 3.960 -0.000 0.000 0.215 38 G HA3 0.377 4.336 3.960 -0.000 0.000 0.215 38 G C 0.528 175.565 174.900 0.230 0.000 1.156 38 G CA 0.714 45.920 45.100 0.176 0.000 0.793 38 G HN 1.012 nan 8.290 nan 0.000 0.535 39 G N -2.137 106.834 108.800 0.285 0.000 2.488 39 G HA2 0.465 4.425 3.960 -0.000 0.000 0.301 39 G HA3 0.465 4.425 3.960 -0.000 0.000 0.301 39 G C -2.217 172.830 174.900 0.245 0.000 1.339 39 G CA -0.232 45.048 45.100 0.301 0.000 0.803 39 G HN 0.480 nan 8.290 nan 0.000 0.482 40 V N 0.413 120.452 119.914 0.209 0.000 2.577 40 V HA 0.522 4.642 4.120 -0.000 0.000 0.303 40 V C -0.229 176.008 176.094 0.238 0.000 1.042 40 V CA -0.643 61.727 62.300 0.118 0.000 0.872 40 V CB 1.648 33.439 31.823 -0.052 0.000 0.998 40 V HN 0.845 nan 8.190 nan 0.000 0.423 41 Q N 3.538 123.484 119.800 0.244 0.000 2.294 41 Q HA 0.584 4.924 4.340 -0.000 0.000 0.257 41 Q C -0.563 175.611 176.000 0.291 0.000 0.955 41 Q CA -0.417 55.547 55.803 0.269 0.000 0.936 41 Q CB 1.687 30.515 28.738 0.152 0.000 1.188 41 Q HN 0.809 nan 8.270 nan 0.000 0.420 42 V N 1.295 121.369 119.914 0.266 0.000 2.837 42 V HA 0.571 4.690 4.120 -0.000 0.000 0.310 42 V C 0.127 176.488 176.094 0.444 0.000 1.059 42 V CA -0.815 61.711 62.300 0.378 0.000 1.004 42 V CB 1.672 33.676 31.823 0.300 0.000 1.045 42 V HN 0.758 nan 8.190 nan 0.000 0.465 43 S N 3.047 119.073 115.700 0.545 0.000 2.589 43 S HA 0.335 4.804 4.470 -0.000 0.000 0.265 43 S C -2.376 172.445 174.600 0.368 0.000 1.342 43 S CA -0.359 58.097 58.200 0.428 0.000 1.005 43 S CB 0.180 63.566 63.200 0.310 0.000 0.909 43 S HN 0.855 nan 8.310 nan 0.000 0.555 44 P HA 0.038 nan 4.420 nan 0.000 0.258 44 P C -1.919 175.522 177.300 0.235 0.000 1.172 44 P CA -0.669 62.514 63.100 0.137 0.000 0.762 44 P CB 0.010 31.664 31.700 -0.076 0.000 0.764 45 P HA -0.046 nan 4.420 nan 0.000 0.245 45 P C -0.103 177.277 177.300 0.133 0.000 1.206 45 P CA 0.655 63.917 63.100 0.270 0.000 0.781 45 P CB 0.153 31.730 31.700 -0.205 0.000 0.994 46 N N 0.679 119.438 118.700 0.098 0.000 2.515 46 N HA 0.040 4.780 4.740 -0.000 0.000 0.279 46 N C -0.179 175.299 175.510 -0.053 0.000 1.164 46 N CA -0.444 52.600 53.050 -0.010 0.000 0.982 46 N CB 1.326 39.716 38.487 -0.162 0.000 1.170 46 N HN -0.029 nan 8.380 nan 0.000 0.474 47 E N 0.623 120.774 120.200 -0.082 0.000 2.529 47 E HA -0.112 4.238 4.350 -0.000 0.000 0.259 47 E C -0.374 176.134 176.600 -0.154 0.000 0.966 47 E CA 0.105 56.444 56.400 -0.101 0.000 0.937 47 E CB 0.276 29.915 29.700 -0.101 0.000 0.923 47 E HN 0.748 nan 8.360 nan 0.000 0.468 48 N N 1.900 120.511 118.700 -0.148 0.000 2.629 48 N HA 0.250 4.990 4.740 -0.000 0.000 0.279 48 N C -0.944 174.445 175.510 -0.202 0.000 1.344 48 N CA -0.780 52.167 53.050 -0.171 0.000 0.789 48 N CB 1.023 39.432 38.487 -0.130 0.000 1.508 48 N HN 0.186 nan 8.380 nan 0.000 0.516 49 V N 0.343 120.137 119.914 -0.200 0.000 2.572 49 V HA 0.308 4.428 4.120 -0.000 0.000 0.291 49 V C 0.690 176.710 176.094 -0.122 0.000 1.039 49 V CA -0.532 61.672 62.300 -0.160 0.000 1.055 49 V CB 0.513 32.308 31.823 -0.047 0.000 0.969 49 V HN 0.832 nan 8.190 nan 0.000 0.482 50 A N 7.217 129.986 122.820 -0.087 0.000 2.310 50 A HA 0.631 4.951 4.320 -0.000 0.000 0.300 50 A C -0.268 177.137 177.584 -0.298 0.000 1.269 50 A CA -0.304 51.593 52.037 -0.234 0.000 0.909 50 A CB -0.296 18.622 19.000 -0.136 0.000 1.144 50 A HN 0.766 nan 8.150 nan 0.000 0.540 51 I N 2.575 122.876 120.570 -0.448 0.000 2.336 51 I HA 0.233 4.403 4.170 -0.000 0.000 0.292 51 I C -0.188 175.578 176.117 -0.585 0.000 0.991 51 I CA -0.149 60.938 61.300 -0.355 0.000 1.227 51 I CB 1.265 39.096 38.000 -0.282 0.000 1.366 51 I HN 0.789 nan 8.210 nan 0.000 0.466 52 Y N 3.150 123.381 120.300 -0.116 0.000 2.444 52 Y HA 0.165 4.715 4.550 -0.001 0.000 0.249 52 Y C 0.750 176.638 175.900 -0.021 0.000 1.134 52 Y CA -0.286 57.780 58.100 -0.055 0.000 1.261 52 Y CB 0.320 38.802 38.460 0.038 0.000 1.143 52 Y HN 0.519 nan 8.280 nan 0.000 0.523 53 N N 1.572 120.283 118.700 0.018 0.000 2.617 53 N HA 0.246 4.986 4.740 -0.000 0.000 0.263 53 N C -2.879 172.553 175.510 -0.131 0.000 1.074 53 N CA -1.963 51.057 53.050 -0.050 0.000 0.841 53 N CB 1.077 39.568 38.487 0.006 0.000 1.221 53 N HN -0.159 nan 8.380 nan 0.000 0.529 54 P HA 0.147 nan 4.420 nan 0.000 0.275 54 P C -0.583 176.513 177.300 -0.341 0.000 1.270 54 P CA -0.363 62.372 63.100 -0.608 0.000 0.791 54 P CB 0.542 31.308 31.700 -1.557 0.000 1.089 55 F N 2.030 121.796 119.950 -0.305 0.000 2.462 55 F HA 0.141 4.668 4.527 -0.001 0.000 0.360 55 F C 0.684 176.454 175.800 -0.050 0.000 1.134 55 F CA -0.260 57.704 58.000 -0.060 0.000 1.148 55 F CB -0.199 38.858 39.000 0.097 0.000 1.147 55 F HN 0.194 nan 8.300 nan 0.000 0.550 56 R N 3.736 123.757 120.500 -0.799 0.000 2.965 56 R HA -0.160 4.180 4.340 -0.000 0.000 0.245 56 R C -2.647 173.387 176.300 -0.443 0.000 0.861 56 R CA 0.159 55.814 56.100 -0.741 0.000 0.614 56 R CB -2.363 27.396 30.300 -0.902 0.000 1.229 56 R HN 0.398 nan 8.270 nan 0.000 0.503 57 P HA -0.028 nan 4.420 nan 0.000 0.272 57 P C 1.494 178.425 177.300 -0.615 0.000 1.230 57 P CA -0.471 62.232 63.100 -0.663 0.000 0.788 57 P CB 0.252 30.940 31.700 -1.686 0.000 0.949 58 W N 3.314 124.442 121.300 -0.286 0.000 2.363 58 W HA -0.115 4.545 4.660 -0.000 0.000 0.296 58 W C 1.613 178.202 176.519 0.116 0.000 1.212 58 W CA 0.819 58.137 57.345 -0.046 0.000 1.260 58 W CB -1.758 27.839 29.460 0.228 0.000 1.131 58 W HN 0.451 nan 8.180 nan 0.000 0.530 59 W N 3.337 124.096 121.300 -0.900 0.000 2.825 59 W HA -0.008 4.651 4.660 -0.000 0.000 0.243 59 W C 1.665 178.078 176.519 -0.177 0.000 1.293 59 W CA 0.939 57.861 57.345 -0.705 0.000 1.403 59 W CB -1.443 27.273 29.460 -1.239 0.000 1.134 59 W HN 0.229 nan 8.180 nan 0.000 0.666 60 E N 1.917 122.020 120.200 -0.160 0.000 2.265 60 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 60 E C 1.844 178.432 176.600 -0.021 0.000 0.996 60 E CA 0.932 57.288 56.400 -0.074 0.000 0.832 60 E CB -0.534 28.989 29.700 -0.296 0.000 0.756 60 E HN 0.247 nan 8.360 nan 0.000 0.491 61 R N -0.533 119.938 120.500 -0.047 0.000 2.316 61 R HA -0.023 4.316 4.340 -0.000 0.000 0.202 61 R C 0.434 176.573 176.300 -0.269 0.000 1.029 61 R CA 0.671 56.670 56.100 -0.169 0.000 1.018 61 R CB -0.011 30.155 30.300 -0.223 0.000 0.888 61 R HN 0.317 nan 8.270 nan 0.000 0.471 62 Y N 0.321 120.737 120.300 0.194 0.000 2.571 62 Y HA 0.202 4.752 4.550 -0.000 0.000 0.275 62 Y C 0.151 176.208 175.900 0.262 0.000 1.179 62 Y CA -0.051 58.201 58.100 0.254 0.000 1.242 62 Y CB 0.540 39.200 38.460 0.333 0.000 1.126 62 Y HN -0.109 nan 8.280 nan 0.000 0.524 63 Q N 1.323 121.250 119.800 0.211 0.000 2.700 63 Q HA 0.278 4.618 4.340 -0.000 0.000 0.249 63 Q C -2.713 173.297 176.000 0.017 0.000 1.033 63 Q CA -2.098 53.802 55.803 0.161 0.000 0.804 63 Q CB 1.252 30.073 28.738 0.138 0.000 1.164 63 Q HN 0.068 nan 8.270 nan 0.000 0.500 64 P HA -0.057 nan 4.420 nan 0.000 0.266 64 P C 0.184 177.352 177.300 -0.220 0.000 1.195 64 P CA 0.124 63.130 63.100 -0.157 0.000 0.768 64 P CB 1.184 32.769 31.700 -0.193 0.000 0.838 65 V N 0.653 120.400 119.914 -0.279 0.000 3.359 65 V HA 0.111 4.230 4.120 -0.000 0.000 0.245 65 V C 0.866 176.860 176.094 -0.167 0.000 1.247 65 V CA 1.488 63.639 62.300 -0.248 0.000 1.145 65 V CB 0.483 32.007 31.823 -0.499 0.000 0.906 65 V HN 0.807 nan 8.190 nan 0.000 0.464 66 S N -2.231 113.265 115.700 -0.340 0.000 2.703 66 S HA 0.459 4.929 4.470 -0.000 0.000 0.273 66 S C -0.849 173.369 174.600 -0.637 0.000 1.178 66 S CA -0.367 57.558 58.200 -0.458 0.000 0.838 66 S CB 0.930 64.013 63.200 -0.194 0.000 1.178 66 S HN -0.022 nan 8.310 nan 0.000 0.494 67 Y N 0.903 121.054 120.300 -0.250 0.000 2.607 67 Y HA 0.463 5.012 4.550 -0.000 0.000 0.266 67 Y C 0.616 176.424 175.900 -0.153 0.000 1.178 67 Y CA -0.802 57.054 58.100 -0.407 0.000 1.226 67 Y CB -0.129 38.056 38.460 -0.458 0.000 1.144 67 Y HN 0.403 nan 8.280 nan 0.000 0.528 68 K N 0.922 121.326 120.400 0.006 0.000 2.412 68 K HA 0.106 4.426 4.320 -0.000 0.000 0.281 68 K C -0.432 176.205 176.600 0.063 0.000 1.027 68 K CA -0.357 55.968 56.287 0.064 0.000 0.989 68 K CB 0.669 33.191 32.500 0.036 0.000 0.935 68 K HN -0.045 nan 8.250 nan 0.000 0.475 69 L N 3.966 125.244 121.223 0.092 0.000 2.376 69 L HA 0.046 4.386 4.340 -0.000 0.000 0.250 69 L C -0.338 176.598 176.870 0.110 0.000 1.335 69 L CA 0.326 55.190 54.840 0.039 0.000 1.214 69 L CB -0.559 41.452 42.059 -0.080 0.000 1.395 69 L HN 0.586 nan 8.230 nan 0.000 0.424 70 c N 1.683 120.339 118.600 0.093 0.000 2.660 70 c HA 0.756 5.326 4.570 -0.000 0.000 0.336 70 c C 0.388 174.505 174.090 0.045 0.000 1.058 70 c CA -0.030 56.351 56.329 0.086 0.000 1.368 70 c CB 0.072 42.617 42.510 0.059 0.000 1.884 70 c HN 0.862 nan 8.230 nan 0.000 0.454 71 T N 1.849 116.427 114.554 0.040 0.000 2.696 71 T HA 0.486 4.836 4.350 -0.000 0.000 0.291 71 T C 0.930 175.557 174.700 -0.122 0.000 1.095 71 T CA -0.663 61.411 62.100 -0.044 0.000 1.026 71 T CB 1.047 69.897 68.868 -0.031 0.000 1.390 71 T HN 0.505 nan 8.240 nan 0.000 0.513 72 R N 0.094 120.490 120.500 -0.172 0.000 2.285 72 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 72 R C 1.936 178.054 176.300 -0.303 0.000 1.068 72 R CA 0.884 56.865 56.100 -0.199 0.000 1.004 72 R CB -0.382 29.800 30.300 -0.197 0.000 0.873 72 R HN 0.547 nan 8.270 nan 0.000 0.467 73 S N -0.535 114.863 115.700 -0.502 0.000 2.496 73 S HA 0.150 4.620 4.470 -0.000 0.000 0.224 73 S C 0.699 174.690 174.600 -1.015 0.000 0.996 73 S CA 0.619 58.245 58.200 -0.958 0.000 0.927 73 S CB 0.766 62.832 63.200 -1.890 0.000 0.774 73 S HN 0.642 nan 8.310 nan 0.000 0.524 74 G N 1.473 109.961 108.800 -0.520 0.000 2.369 74 G HA2 0.118 4.078 3.960 -0.000 0.000 0.295 74 G HA3 0.118 4.078 3.960 -0.000 0.000 0.295 74 G C -1.390 173.631 174.900 0.202 0.000 1.298 74 G CA -0.650 44.386 45.100 -0.107 0.000 0.940 74 G HN 0.328 nan 8.290 nan 0.000 0.536 75 N N -0.755 118.111 118.700 0.276 0.000 2.604 75 N HA 0.455 5.195 4.740 -0.000 0.000 0.297 75 N C 1.082 176.788 175.510 0.328 0.000 1.266 75 N CA 0.065 53.267 53.050 0.254 0.000 0.961 75 N CB 0.903 39.487 38.487 0.162 0.000 1.166 75 N HN 0.789 nan 8.380 nan 0.000 0.601 76 E N -0.812 119.526 120.200 0.230 0.000 2.077 76 E HA -0.234 4.115 4.350 -0.000 0.000 0.193 76 E C 0.422 177.163 176.600 0.236 0.000 0.989 76 E CA 1.423 57.955 56.400 0.220 0.000 0.800 76 E CB -0.121 29.691 29.700 0.187 0.000 0.746 76 E HN 0.515 nan 8.360 nan 0.000 0.452 77 D N 0.565 121.082 120.400 0.195 0.000 2.104 77 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 77 D C 1.799 178.201 176.300 0.171 0.000 0.994 77 D CA 1.322 55.418 54.000 0.161 0.000 0.830 77 D CB -0.169 40.708 40.800 0.128 0.000 0.959 77 D HN 0.390 nan 8.370 nan 0.000 0.452 78 E N -0.306 120.032 120.200 0.231 0.000 2.106 78 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 78 E C 1.937 178.686 176.600 0.249 0.000 0.984 78 E CA 0.355 56.915 56.400 0.266 0.000 0.806 78 E CB -0.180 29.733 29.700 0.356 0.000 0.750 78 E HN 0.230 nan 8.360 nan 0.000 0.458 79 F N 1.800 121.791 119.950 0.069 0.000 2.113 79 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 79 F C 2.238 177.893 175.800 -0.242 0.000 1.103 79 F CA 1.420 59.196 58.000 -0.373 0.000 1.248 79 F CB 0.110 38.838 39.000 -0.453 0.000 0.999 79 F HN -0.214 nan 8.300 nan 0.000 0.475 80 R N 0.189 120.701 120.500 0.020 0.000 2.081 80 R HA -0.203 4.136 4.340 -0.000 0.000 0.235 80 R C 2.285 178.532 176.300 -0.087 0.000 1.131 80 R CA 1.387 57.469 56.100 -0.030 0.000 0.960 80 R CB -0.911 29.451 30.300 0.103 0.000 0.856 80 R HN 0.440 nan 8.270 nan 0.000 0.436 81 N N 1.100 119.781 118.700 -0.032 0.000 2.120 81 N HA -0.210 4.529 4.740 -0.000 0.000 0.188 81 N C 1.869 177.324 175.510 -0.093 0.000 1.024 81 N CA 1.366 54.404 53.050 -0.019 0.000 0.852 81 N CB 0.001 38.508 38.487 0.033 0.000 1.003 81 N HN 0.225 nan 8.380 nan 0.000 0.424 82 M N 0.779 120.276 119.600 -0.172 0.000 2.077 82 M HA -0.130 4.350 4.480 -0.000 0.000 0.261 82 M C 1.950 178.032 176.300 -0.363 0.000 1.070 82 M CA 1.375 56.535 55.300 -0.234 0.000 1.125 82 M CB -0.132 32.306 32.600 -0.271 0.000 1.339 82 M HN -0.044 nan 8.290 nan 0.000 0.409 83 V N 0.709 120.292 119.914 -0.551 0.000 2.332 83 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 83 V C 2.353 178.153 176.094 -0.490 0.000 1.055 83 V CA 2.388 64.342 62.300 -0.577 0.000 1.038 83 V CB -1.322 30.119 31.823 -0.638 0.000 0.651 83 V HN 0.600 nan 8.190 nan 0.000 0.450 84 T N -0.437 113.948 114.554 -0.281 0.000 2.708 84 T HA -0.196 4.153 4.350 -0.000 0.000 0.266 84 T C 2.099 176.735 174.700 -0.106 0.000 1.037 84 T CA 1.641 63.686 62.100 -0.091 0.000 1.146 84 T CB -0.236 68.722 68.868 0.149 0.000 0.865 84 T HN 0.401 nan 8.240 nan 0.000 0.435 85 R N -0.012 120.428 120.500 -0.100 0.000 2.096 85 R HA -0.027 4.313 4.340 -0.000 0.000 0.235 85 R C 2.785 179.006 176.300 -0.132 0.000 1.127 85 R CA 1.292 57.349 56.100 -0.073 0.000 0.968 85 R CB -0.666 29.605 30.300 -0.048 0.000 0.861 85 R HN 0.376 nan 8.270 nan 0.000 0.440 86 c N 0.510 118.982 118.600 -0.212 0.000 2.453 86 c HA -0.009 4.561 4.570 -0.000 0.000 0.277 86 c C 2.300 176.205 174.090 -0.308 0.000 1.262 86 c CA 0.424 56.616 56.329 -0.229 0.000 1.718 86 c CB -0.935 41.418 42.510 -0.261 0.000 2.031 86 c HN 0.509 nan 8.230 nan 0.000 0.480 87 N N 1.564 119.953 118.700 -0.518 0.000 2.166 87 N HA -0.090 4.649 4.740 -0.000 0.000 0.186 87 N C 1.324 176.544 175.510 -0.483 0.000 1.019 87 N CA 1.083 53.663 53.050 -0.784 0.000 0.856 87 N CB -0.613 36.804 38.487 -1.783 0.000 0.993 87 N HN 0.497 nan 8.380 nan 0.000 0.426 88 N N 0.107 118.682 118.700 -0.209 0.000 2.381 88 N HA -0.076 4.664 4.740 -0.000 0.000 0.182 88 N C 1.192 176.690 175.510 -0.020 0.000 1.025 88 N CA 0.266 53.339 53.050 0.039 0.000 0.888 88 N CB 0.050 38.600 38.487 0.105 0.000 0.965 88 N HN 0.045 nan 8.380 nan 0.000 0.438 89 V N -0.626 119.242 119.914 -0.077 0.000 3.483 89 V HA 0.291 4.410 4.120 -0.000 0.000 0.301 89 V C 0.914 176.969 176.094 -0.065 0.000 1.389 89 V CA 0.631 62.900 62.300 -0.052 0.000 1.101 89 V CB -0.436 31.363 31.823 -0.039 0.000 0.971 89 V HN 0.405 nan 8.190 nan 0.000 0.434 90 G N 0.544 109.277 108.800 -0.112 0.000 2.143 90 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.248 90 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.248 90 G C 0.055 174.901 174.900 -0.090 0.000 0.991 90 G CA 0.301 45.337 45.100 -0.107 0.000 0.689 90 G HN 0.633 nan 8.290 nan 0.000 0.522 91 V N 2.064 121.905 119.914 -0.122 0.000 2.357 91 V HA 0.577 4.697 4.120 -0.000 0.000 0.284 91 V C 0.547 176.541 176.094 -0.166 0.000 1.018 91 V CA -1.292 60.957 62.300 -0.084 0.000 0.841 91 V CB 1.443 33.232 31.823 -0.057 0.000 0.991 91 V HN 0.327 nan 8.190 nan 0.000 0.437 92 R N 4.158 124.583 120.500 -0.125 0.000 2.560 92 R HA 0.542 4.882 4.340 -0.000 0.000 0.270 92 R C -0.586 175.474 176.300 -0.401 0.000 1.074 92 R CA -0.661 55.270 56.100 -0.281 0.000 1.140 92 R CB 0.946 31.080 30.300 -0.278 0.000 1.073 92 R HN 0.429 nan 8.270 nan 0.000 0.527 93 I N 2.685 122.894 120.570 -0.602 0.000 2.406 93 I HA 0.288 4.458 4.170 -0.000 0.000 0.290 93 I C -0.736 174.943 176.117 -0.729 0.000 0.999 93 I CA -0.886 60.100 61.300 -0.523 0.000 1.124 93 I CB 1.221 38.938 38.000 -0.472 0.000 1.289 93 I HN 0.422 nan 8.210 nan 0.000 0.441 94 Y N 4.741 124.993 120.300 -0.080 0.000 2.341 94 Y HA 0.473 5.023 4.550 -0.000 0.000 0.338 94 Y C 0.222 176.070 175.900 -0.087 0.000 0.965 94 Y CA -0.929 57.119 58.100 -0.087 0.000 1.108 94 Y CB 1.914 40.466 38.460 0.152 0.000 1.180 94 Y HN 0.179 nan 8.280 nan 0.000 0.458 95 V N 3.096 122.951 119.914 -0.098 0.000 2.509 95 V HA 0.098 4.218 4.120 -0.000 0.000 0.284 95 V C -0.146 176.038 176.094 0.150 0.000 1.047 95 V CA -0.726 61.602 62.300 0.047 0.000 0.952 95 V CB 1.428 33.272 31.823 0.035 0.000 0.988 95 V HN 0.672 nan 8.190 nan 0.000 0.469 96 D N 4.412 124.915 120.400 0.172 0.000 2.383 96 D HA 0.284 4.923 4.640 -0.000 0.000 0.245 96 D C 0.166 176.594 176.300 0.213 0.000 1.263 96 D CA -0.033 54.069 54.000 0.170 0.000 0.936 96 D CB 1.001 41.935 40.800 0.224 0.000 1.053 96 D HN 0.673 nan 8.370 nan 0.000 0.507 97 A N 4.040 126.969 122.820 0.182 0.000 2.310 97 A HA 0.366 4.686 4.320 -0.000 0.000 0.300 97 A C -0.006 177.660 177.584 0.136 0.000 1.269 97 A CA -0.633 51.508 52.037 0.174 0.000 0.909 97 A CB 0.562 19.574 19.000 0.019 0.000 1.144 97 A HN 0.370 nan 8.150 nan 0.000 0.540 98 V N 5.534 125.541 119.914 0.155 0.000 2.258 98 V HA 0.163 4.283 4.120 -0.000 0.000 0.258 98 V C 0.824 176.901 176.094 -0.028 0.000 1.121 98 V CA 0.286 62.616 62.300 0.051 0.000 0.942 98 V CB -0.526 31.334 31.823 0.061 0.000 1.170 98 V HN 0.874 nan 8.190 nan 0.000 0.487 99 I N 0.411 120.952 120.570 -0.049 0.000 4.154 99 I HA 0.343 4.513 4.170 -0.000 0.000 0.334 99 I C 1.499 177.583 176.117 -0.054 0.000 1.371 99 I CA 0.229 61.513 61.300 -0.026 0.000 1.110 99 I CB 0.150 38.130 38.000 -0.033 0.000 1.085 99 I HN 0.465 nan 8.210 nan 0.000 0.398 100 N N 1.558 120.201 118.700 -0.095 0.000 2.416 100 N HA -0.053 4.687 4.740 -0.000 0.000 0.177 100 N C 0.523 176.072 175.510 0.065 0.000 1.036 100 N CA 0.758 53.824 53.050 0.026 0.000 0.901 100 N CB 0.198 38.785 38.487 0.166 0.000 0.976 100 N HN 0.678 nan 8.380 nan 0.000 0.444 101 H N -3.428 115.673 119.070 0.053 0.000 2.960 101 H HA 0.294 4.850 4.556 0.000 0.000 0.323 101 H C -0.554 174.786 175.328 0.020 0.000 1.326 101 H CA -0.933 55.142 56.048 0.044 0.000 1.124 101 H CB 0.559 30.345 29.762 0.039 0.000 1.853 101 H HN -0.182 nan 8.280 nan 0.000 0.536 102 M N 0.817 120.519 119.600 0.170 0.000 2.341 102 M HA 0.299 4.779 4.480 -0.000 0.000 0.221 102 M C 1.052 177.438 176.300 0.144 0.000 0.772 102 M CA -0.375 54.910 55.300 -0.025 0.000 1.742 102 M CB 0.088 32.429 32.600 -0.433 0.000 1.160 102 M HN 0.869 nan 8.290 nan 0.000 0.870 103 C N -0.094 119.279 119.300 0.121 0.000 2.411 103 C HA 0.789 5.249 4.460 -0.000 0.000 0.358 103 C C 0.993 176.067 174.990 0.140 0.000 1.349 103 C CA -0.976 58.144 59.018 0.169 0.000 2.326 103 C CB -0.509 27.346 27.740 0.192 0.000 2.166 103 C HN 0.838 nan 8.230 nan 0.000 0.609 104 G N 1.614 110.474 108.800 0.100 0.000 2.414 104 G HA2 0.148 4.108 3.960 -0.000 0.000 0.236 104 G HA3 0.148 4.108 3.960 -0.000 0.000 0.236 104 G C 0.937 175.866 174.900 0.048 0.000 1.293 104 G CA 0.271 45.394 45.100 0.038 0.000 0.869 104 G HN 1.048 nan 8.290 nan 0.000 0.556 105 N N 1.533 120.231 118.700 -0.004 0.000 2.381 105 N HA -0.105 4.634 4.740 -0.000 0.000 0.182 105 N C 1.663 177.156 175.510 -0.028 0.000 1.025 105 N CA 1.082 54.116 53.050 -0.027 0.000 0.888 105 N CB 0.048 38.500 38.487 -0.059 0.000 0.965 105 N HN 0.429 nan 8.380 nan 0.000 0.438 106 A N 0.746 123.555 122.820 -0.019 0.000 2.275 106 A HA 0.290 4.610 4.320 -0.000 0.000 0.212 106 A C 0.751 178.329 177.584 -0.011 0.000 1.201 106 A CA -0.357 51.666 52.037 -0.024 0.000 0.843 106 A CB 0.096 19.080 19.000 -0.026 0.000 0.873 106 A HN 0.099 nan 8.150 nan 0.000 0.492 107 V N 1.632 121.559 119.914 0.023 0.000 2.655 107 V HA 0.057 4.177 4.120 -0.000 0.000 0.300 107 V C 0.812 176.884 176.094 -0.036 0.000 1.044 107 V CA 0.002 62.331 62.300 0.048 0.000 1.095 107 V CB 1.034 32.958 31.823 0.169 0.000 0.952 107 V HN 0.419 nan 8.190 nan 0.000 0.485 108 S N 3.612 119.273 115.700 -0.063 0.000 2.549 108 S HA 0.397 4.867 4.470 -0.000 0.000 0.286 108 S C 0.503 174.891 174.600 -0.353 0.000 1.314 108 S CA -0.168 57.941 58.200 -0.151 0.000 1.062 108 S CB 0.813 63.954 63.200 -0.099 0.000 0.865 108 S HN 1.059 nan 8.310 nan 0.000 0.498 109 A N 2.576 125.154 122.820 -0.404 0.000 2.386 109 A HA 0.717 5.037 4.320 -0.000 0.000 0.248 109 A C 0.976 178.204 177.584 -0.593 0.000 1.082 109 A CA 0.410 52.046 52.037 -0.668 0.000 0.789 109 A CB -0.208 18.529 19.000 -0.439 0.000 1.025 109 A HN 1.286 nan 8.150 nan 0.000 0.490 110 G N -0.613 107.674 108.800 -0.855 0.000 2.373 110 G HA2 0.384 4.344 3.960 -0.000 0.000 0.250 110 G HA3 0.384 4.344 3.960 -0.000 0.000 0.250 110 G C 0.018 174.746 174.900 -0.286 0.000 1.304 110 G CA 0.517 45.401 45.100 -0.361 0.000 0.948 110 G HN 1.644 nan 8.290 nan 0.000 0.474 111 T N -2.206 112.352 114.554 0.007 0.000 3.296 111 T HA 0.510 4.860 4.350 -0.000 0.000 0.285 111 T C 0.776 175.601 174.700 0.209 0.000 1.014 111 T CA 0.926 63.124 62.100 0.163 0.000 0.920 111 T CB 0.738 69.704 68.868 0.163 0.000 1.143 111 T HN 1.020 nan 8.240 nan 0.000 0.522 112 S N 2.956 118.801 115.700 0.242 0.000 4.183 112 S HA 0.422 4.892 4.470 -0.000 0.000 0.195 112 S C 0.301 175.078 174.600 0.296 0.000 1.421 112 S CA -0.560 57.802 58.200 0.269 0.000 0.920 112 S CB -1.004 62.344 63.200 0.247 0.000 1.525 112 S HN 0.753 nan 8.310 nan 0.000 0.447 113 S N 0.684 116.505 115.700 0.203 0.000 2.632 113 S HA 0.401 4.871 4.470 -0.000 0.000 0.289 113 S C 1.117 175.728 174.600 0.019 0.000 1.115 113 S CA -0.380 57.849 58.200 0.048 0.000 0.889 113 S CB 1.110 64.307 63.200 -0.004 0.000 1.116 113 S HN 0.441 nan 8.310 nan 0.000 0.486 114 T N -3.197 111.332 114.554 -0.041 0.000 3.051 114 T HA -0.062 4.288 4.350 -0.000 0.000 0.269 114 T C 1.064 175.762 174.700 -0.003 0.000 1.127 114 T CA 0.910 62.988 62.100 -0.036 0.000 1.107 114 T CB -0.616 68.210 68.868 -0.070 0.000 0.898 114 T HN 0.629 nan 8.240 nan 0.000 0.517 115 c N 0.610 119.216 118.600 0.010 0.000 3.525 115 c HA 0.674 5.244 4.570 -0.000 0.000 0.289 115 c C 2.025 176.147 174.090 0.055 0.000 1.496 115 c CA -0.128 56.220 56.329 0.032 0.000 1.804 115 c CB -0.923 41.603 42.510 0.028 0.000 2.708 115 c HN 0.881 nan 8.230 nan 0.000 0.642 116 G N 1.555 110.399 108.800 0.072 0.000 2.162 116 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 116 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 116 G C 0.220 175.200 174.900 0.133 0.000 0.976 116 G CA 0.615 45.775 45.100 0.102 0.000 0.655 116 G HN 0.576 nan 8.290 nan 0.000 0.533 117 S N -0.300 115.475 115.700 0.125 0.000 2.562 117 S HA 0.419 4.889 4.470 -0.000 0.000 0.281 117 S C 0.047 174.815 174.600 0.279 0.000 1.333 117 S CA -0.310 57.987 58.200 0.163 0.000 1.052 117 S CB 0.767 64.028 63.200 0.102 0.000 0.884 117 S HN 0.559 nan 8.310 nan 0.000 0.506 118 Y N 4.158 124.553 120.300 0.160 0.000 2.304 118 Y HA 0.540 5.089 4.550 -0.000 0.000 0.327 118 Y C -0.468 175.574 175.900 0.236 0.000 1.209 118 Y CA -0.727 57.466 58.100 0.154 0.000 1.299 118 Y CB 0.382 38.865 38.460 0.039 0.000 1.249 118 Y HN 0.579 nan 8.280 nan 0.000 0.519 119 F N 3.198 122.531 119.950 -1.029 0.000 2.678 119 F HA 0.424 4.951 4.527 -0.000 0.000 0.308 119 F C -1.988 173.151 175.800 -1.101 0.000 1.118 119 F CA -1.488 55.956 58.000 -0.927 0.000 0.959 119 F CB 1.216 39.843 39.000 -0.621 0.000 1.305 119 F HN 0.417 nan 8.300 nan 0.000 0.443 120 N N 3.194 121.363 118.700 -0.885 0.000 2.690 120 N HA 0.408 5.148 4.740 -0.000 0.000 0.255 120 N C -2.497 172.725 175.510 -0.480 0.000 1.195 120 N CA -2.254 50.408 53.050 -0.645 0.000 0.790 120 N CB 1.738 40.025 38.487 -0.333 0.000 1.216 120 N HN 0.279 nan 8.380 nan 0.000 0.528 121 P HA -0.089 nan 4.420 nan 0.000 0.216 121 P C 1.344 178.551 177.300 -0.155 0.000 1.157 121 P CA 1.429 64.432 63.100 -0.162 0.000 0.880 121 P CB 0.163 31.860 31.700 -0.006 0.000 0.791 122 G N -0.194 108.513 108.800 -0.154 0.000 2.469 122 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 122 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 122 G C 1.476 176.311 174.900 -0.109 0.000 1.150 122 G CA 1.519 46.548 45.100 -0.118 0.000 0.763 122 G HN 0.459 nan 8.290 nan 0.000 0.561 123 S N -1.254 114.380 115.700 -0.111 0.000 2.577 123 S HA 0.321 4.791 4.470 -0.000 0.000 0.219 123 S C 1.118 175.690 174.600 -0.048 0.000 0.962 123 S CA 0.222 58.380 58.200 -0.070 0.000 0.921 123 S CB 0.344 63.520 63.200 -0.039 0.000 0.789 123 S HN 0.205 nan 8.310 nan 0.000 0.497 124 R N 0.549 120.994 120.500 -0.091 0.000 3.651 124 R HA -0.138 4.201 4.340 -0.000 0.000 0.292 124 R C -1.244 175.186 176.300 0.217 0.000 1.161 124 R CA 0.793 56.877 56.100 -0.027 0.000 0.787 124 R CB -2.751 27.538 30.300 -0.018 0.000 1.249 124 R HN 0.640 nan 8.270 nan 0.000 0.476 125 D N -0.477 119.921 120.400 -0.003 0.000 2.349 125 D HA 0.394 5.034 4.640 -0.000 0.000 0.232 125 D C -0.707 175.513 176.300 -0.133 0.000 1.071 125 D CA -0.199 53.851 54.000 0.084 0.000 0.832 125 D CB 0.350 41.195 40.800 0.075 0.000 1.086 125 D HN 0.068 nan 8.370 nan 0.000 0.504 126 F N 5.096 125.219 119.950 0.289 0.000 2.531 126 F HA 0.283 4.810 4.527 -0.001 0.000 0.333 126 F C -1.429 174.485 175.800 0.190 0.000 1.292 126 F CA -1.626 56.523 58.000 0.248 0.000 1.184 126 F CB 1.592 40.769 39.000 0.295 0.000 1.426 126 F HN 0.303 nan 8.300 nan 0.000 0.559 127 P HA -0.248 nan 4.420 nan 0.000 0.220 127 P C 1.413 178.807 177.300 0.157 0.000 1.144 127 P CA 1.455 64.686 63.100 0.218 0.000 0.800 127 P CB 0.294 32.122 31.700 0.214 0.000 0.772 128 A N -0.678 122.230 122.820 0.148 0.000 2.119 128 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 128 A C 2.302 179.888 177.584 0.003 0.000 1.153 128 A CA 0.968 53.050 52.037 0.075 0.000 0.692 128 A CB -1.156 17.881 19.000 0.062 0.000 0.799 128 A HN 0.092 nan 8.150 nan 0.000 0.458 129 V N 0.531 120.421 119.914 -0.040 0.000 2.300 129 V HA 0.021 4.141 4.120 -0.000 0.000 0.241 129 V C -1.517 174.523 176.094 -0.091 0.000 1.034 129 V CA 1.312 63.492 62.300 -0.200 0.000 1.021 129 V CB -0.921 30.526 31.823 -0.625 0.000 0.662 129 V HN 0.465 nan 8.190 nan 0.000 0.458 130 P HA 0.387 nan 4.420 nan 0.000 0.293 130 P C -1.824 175.584 177.300 0.179 0.000 1.291 130 P CA -0.234 62.923 63.100 0.096 0.000 0.867 130 P CB 1.328 33.128 31.700 0.167 0.000 1.074 131 Y N -0.209 120.297 120.300 0.344 0.000 2.499 131 Y HA 0.553 5.103 4.550 -0.000 0.000 0.347 131 Y C 0.929 177.099 175.900 0.450 0.000 0.987 131 Y CA -0.595 57.727 58.100 0.370 0.000 1.044 131 Y CB 2.302 40.940 38.460 0.296 0.000 1.245 131 Y HN 0.520 nan 8.280 nan 0.000 0.461 132 S N -0.729 115.335 115.700 0.606 0.000 2.806 132 S HA 0.584 5.054 4.470 -0.000 0.000 0.306 132 S C 1.015 175.928 174.600 0.522 0.000 1.167 132 S CA -0.238 58.267 58.200 0.508 0.000 0.847 132 S CB 1.198 64.643 63.200 0.410 0.000 1.216 132 S HN 0.827 nan 8.310 nan 0.000 0.532 133 G N -0.243 108.735 108.800 0.296 0.000 2.462 133 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.220 133 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.220 133 G C 0.720 175.696 174.900 0.127 0.000 1.121 133 G CA 0.516 45.716 45.100 0.166 0.000 0.758 133 G HN 0.766 nan 8.290 nan 0.000 0.559 134 W N 0.719 122.126 121.300 0.179 0.000 2.699 134 W HA 0.163 4.824 4.660 0.000 0.000 0.249 134 W C 1.117 177.671 176.519 0.059 0.000 1.280 134 W CA 0.245 57.650 57.345 0.100 0.000 1.345 134 W CB 0.425 29.915 29.460 0.050 0.000 1.128 134 W HN 0.107 nan 8.180 nan 0.000 0.642 135 D N -1.202 119.322 120.400 0.207 0.000 2.368 135 D HA 0.110 4.750 4.640 -0.000 0.000 0.218 135 D C -0.342 175.616 176.300 -0.570 0.000 1.112 135 D CA 0.358 54.265 54.000 -0.154 0.000 0.834 135 D CB -0.100 40.547 40.800 -0.256 0.000 0.953 135 D HN 0.020 nan 8.370 nan 0.000 0.505 136 F N 0.229 120.195 119.950 0.027 0.000 2.598 136 F HA 0.321 4.848 4.527 -0.000 0.000 0.327 136 F C 1.318 177.131 175.800 0.021 0.000 1.057 136 F CA -1.074 56.922 58.000 -0.007 0.000 0.957 136 F CB 0.896 39.892 39.000 -0.005 0.000 1.278 136 F HN -0.372 nan 8.300 nan 0.000 0.484 137 N N 0.962 119.790 118.700 0.212 0.000 2.362 137 N HA -0.026 4.714 4.740 -0.000 0.000 0.211 137 N C 0.732 176.308 175.510 0.111 0.000 1.170 137 N CA 0.315 53.447 53.050 0.137 0.000 0.828 137 N CB -0.289 38.274 38.487 0.126 0.000 1.034 137 N HN 0.569 nan 8.380 nan 0.000 0.475 138 D N 0.287 120.755 120.400 0.114 0.000 2.133 138 D HA -0.143 4.497 4.640 -0.000 0.000 0.195 138 D C 1.693 178.015 176.300 0.036 0.000 0.997 138 D CA 1.214 55.247 54.000 0.054 0.000 0.840 138 D CB 0.048 40.864 40.800 0.027 0.000 0.947 138 D HN 0.371 nan 8.370 nan 0.000 0.452 139 G N 0.145 108.971 108.800 0.042 0.000 2.683 139 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.213 139 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.213 139 G C 1.582 176.509 174.900 0.046 0.000 1.142 139 G CA 0.024 45.144 45.100 0.034 0.000 0.793 139 G HN 0.183 nan 8.290 nan 0.000 0.534 140 K N -0.437 120.001 120.400 0.064 0.000 2.098 140 K HA 0.046 4.365 4.320 -0.000 0.000 0.203 140 K C 0.999 177.641 176.600 0.070 0.000 1.051 140 K CA -0.030 56.300 56.287 0.072 0.000 0.957 140 K CB -0.150 32.407 32.500 0.095 0.000 0.738 140 K HN 0.240 nan 8.250 nan 0.000 0.447 141 c N 2.523 121.162 118.600 0.064 0.000 2.634 141 c HA 0.099 4.669 4.570 -0.000 0.000 0.418 141 c C 0.630 174.739 174.090 0.032 0.000 1.373 141 c CA -0.075 56.283 56.329 0.049 0.000 1.756 141 c CB -0.245 42.286 42.510 0.035 0.000 2.589 141 c HN 0.390 nan 8.230 nan 0.000 0.602 142 K N 2.889 123.306 120.400 0.028 0.000 2.373 142 K HA 0.150 4.469 4.320 -0.000 0.000 0.202 142 K C 0.792 177.396 176.600 0.007 0.000 1.025 142 K CA 0.085 56.383 56.287 0.019 0.000 1.115 142 K CB 0.243 32.758 32.500 0.025 0.000 0.858 142 K HN 0.859 nan 8.250 nan 0.000 0.525 143 T N -2.620 111.933 114.554 -0.001 0.000 2.904 143 T HA 0.250 4.600 4.350 -0.000 0.000 0.290 143 T C 1.494 176.188 174.700 -0.010 0.000 1.018 143 T CA -0.387 61.708 62.100 -0.010 0.000 1.075 143 T CB 1.690 70.544 68.868 -0.023 0.000 0.986 143 T HN 0.160 nan 8.240 nan 0.000 0.523 144 G N 0.515 109.309 108.800 -0.011 0.000 2.443 144 G HA2 -0.143 3.816 3.960 -0.000 0.000 0.219 144 G HA3 -0.143 3.816 3.960 -0.000 0.000 0.219 144 G C 1.621 176.512 174.900 -0.015 0.000 1.131 144 G CA 0.738 45.831 45.100 -0.011 0.000 0.775 144 G HN 0.947 nan 8.290 nan 0.000 0.547 145 S N -1.299 114.390 115.700 -0.019 0.000 2.503 145 S HA 0.376 4.846 4.470 -0.000 0.000 0.215 145 S C 1.952 176.537 174.600 -0.026 0.000 1.003 145 S CA 1.000 59.186 58.200 -0.024 0.000 0.910 145 S CB 0.172 63.356 63.200 -0.026 0.000 0.790 145 S HN 1.459 nan 8.310 nan 0.000 0.514 146 G N 0.817 109.603 108.800 -0.024 0.000 2.199 146 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.254 146 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.254 146 G C -0.350 174.532 174.900 -0.031 0.000 0.982 146 G CA 0.309 45.395 45.100 -0.022 0.000 0.632 146 G HN 0.575 nan 8.290 nan 0.000 0.529 147 D N -0.200 120.176 120.400 -0.041 0.000 2.384 147 D HA 0.598 5.238 4.640 -0.000 0.000 0.250 147 D C 0.935 177.192 176.300 -0.070 0.000 1.029 147 D CA -0.680 53.285 54.000 -0.058 0.000 0.990 147 D CB 0.856 41.620 40.800 -0.061 0.000 1.175 147 D HN 0.225 nan 8.370 nan 0.000 0.532 148 I N 1.117 121.627 120.570 -0.100 0.000 2.533 148 I HA -0.004 4.166 4.170 -0.000 0.000 0.284 148 I C 1.231 177.279 176.117 -0.114 0.000 1.109 148 I CA 0.614 61.823 61.300 -0.151 0.000 1.412 148 I CB 0.487 38.343 38.000 -0.240 0.000 1.396 148 I HN 0.323 nan 8.210 nan 0.000 0.543 149 E N 3.772 123.906 120.200 -0.109 0.000 2.414 149 E HA 0.130 4.479 4.350 -0.000 0.000 0.208 149 E C 0.066 176.653 176.600 -0.022 0.000 0.820 149 E CA -0.011 56.362 56.400 -0.045 0.000 1.143 149 E CB 0.633 30.314 29.700 -0.031 0.000 1.150 149 E HN 0.608 nan 8.360 nan 0.000 0.540 150 N N -0.368 118.287 118.700 -0.075 0.000 2.480 150 N HA 0.157 4.897 4.740 -0.000 0.000 0.289 150 N C -0.798 174.664 175.510 -0.079 0.000 1.073 150 N CA -0.214 52.827 53.050 -0.016 0.000 0.885 150 N CB 0.748 39.231 38.487 -0.006 0.000 1.421 150 N HN -0.086 nan 8.380 nan 0.000 0.503 151 Y N 1.714 122.008 120.300 -0.009 0.000 2.578 151 Y HA 0.080 4.629 4.550 -0.001 0.000 0.297 151 Y C 1.169 177.055 175.900 -0.023 0.000 1.176 151 Y CA 0.635 58.723 58.100 -0.019 0.000 1.315 151 Y CB -0.011 38.435 38.460 -0.024 0.000 1.031 151 Y HN 0.650 nan 8.280 nan 0.000 0.524 152 N N -0.547 118.204 118.700 0.085 0.000 2.467 152 N HA -0.084 4.655 4.740 -0.000 0.000 0.184 152 N C -0.191 175.330 175.510 0.019 0.000 1.106 152 N CA 0.323 53.403 53.050 0.050 0.000 0.892 152 N CB 0.233 38.744 38.487 0.041 0.000 0.969 152 N HN 0.086 nan 8.380 nan 0.000 0.454 153 D N 0.155 120.550 120.400 -0.009 0.000 2.477 153 D HA 0.297 4.937 4.640 -0.000 0.000 0.239 153 D C 0.660 176.930 176.300 -0.052 0.000 1.102 153 D CA -0.569 53.420 54.000 -0.018 0.000 0.901 153 D CB 0.757 41.544 40.800 -0.022 0.000 1.026 153 D HN 0.088 nan 8.370 nan 0.000 0.515 154 A N 2.857 125.656 122.820 -0.036 0.000 2.032 154 A HA -0.172 4.148 4.320 -0.000 0.000 0.221 154 A C 1.991 179.479 177.584 -0.160 0.000 1.165 154 A CA 1.770 53.748 52.037 -0.099 0.000 0.645 154 A CB -0.430 18.538 19.000 -0.054 0.000 0.807 154 A HN 0.570 nan 8.150 nan 0.000 0.453 155 T N 0.271 114.826 114.554 0.002 0.000 2.732 155 T HA -0.163 4.187 4.350 -0.000 0.000 0.261 155 T C 2.138 176.853 174.700 0.024 0.000 1.040 155 T CA 1.625 63.802 62.100 0.128 0.000 1.145 155 T CB -0.311 68.694 68.868 0.228 0.000 0.866 155 T HN 0.883 nan 8.240 nan 0.000 0.427 156 Q N 1.000 120.788 119.800 -0.020 0.000 2.224 156 Q HA -0.035 4.305 4.340 -0.000 0.000 0.203 156 Q C 2.081 178.011 176.000 -0.117 0.000 0.970 156 Q CA 1.138 56.912 55.803 -0.049 0.000 0.865 156 Q CB -0.674 28.026 28.738 -0.063 0.000 0.922 156 Q HN 0.307 nan 8.270 nan 0.000 0.445 157 V N 0.772 120.569 119.914 -0.196 0.000 2.594 157 V HA -0.200 3.920 4.120 -0.000 0.000 0.253 157 V C 1.976 178.004 176.094 -0.110 0.000 1.069 157 V CA 2.002 64.167 62.300 -0.225 0.000 1.082 157 V CB -0.433 31.205 31.823 -0.308 0.000 0.680 157 V HN 0.293 nan 8.190 nan 0.000 0.469 158 R N -0.532 119.826 120.500 -0.237 0.000 2.195 158 R HA 0.095 4.434 4.340 -0.000 0.000 0.197 158 R C 1.548 177.821 176.300 -0.044 0.000 0.990 158 R CA 0.651 56.575 56.100 -0.293 0.000 1.048 158 R CB -0.104 29.585 30.300 -1.018 0.000 0.997 158 R HN 0.410 nan 8.270 nan 0.000 0.502 159 D N -1.152 119.275 120.400 0.045 0.000 2.367 159 D HA 0.110 4.750 4.640 -0.000 0.000 0.207 159 D C -0.017 176.326 176.300 0.072 0.000 1.034 159 D CA 0.281 54.360 54.000 0.130 0.000 0.861 159 D CB 0.301 41.217 40.800 0.194 0.000 0.943 159 D HN 0.082 nan 8.370 nan 0.000 0.515 160 c N 0.636 119.248 118.600 0.021 0.000 2.407 160 c HA 0.488 5.058 4.570 -0.000 0.000 0.366 160 c C 0.659 174.734 174.090 -0.026 0.000 1.213 160 c CA -1.012 55.316 56.329 -0.003 0.000 2.011 160 c CB 1.430 43.920 42.510 -0.034 0.000 2.306 160 c HN 0.059 nan 8.230 nan 0.000 0.527 161 R N 1.146 121.622 120.500 -0.041 0.000 2.316 161 R HA 0.300 4.640 4.340 -0.000 0.000 0.314 161 R C -0.604 175.614 176.300 -0.136 0.000 1.069 161 R CA -0.457 55.600 56.100 -0.072 0.000 0.959 161 R CB 0.265 30.529 30.300 -0.060 0.000 0.987 161 R HN 0.484 nan 8.270 nan 0.000 0.446 162 L N 4.901 125.992 121.223 -0.221 0.000 2.485 162 L HA -0.014 4.326 4.340 -0.000 0.000 0.279 162 L C 0.367 177.096 176.870 -0.235 0.000 1.124 162 L CA 0.832 55.488 54.840 -0.307 0.000 0.888 162 L CB 0.027 41.755 42.059 -0.551 0.000 1.217 162 L HN 0.943 nan 8.230 nan 0.000 0.464 163 T N 1.402 115.861 114.554 -0.158 0.000 3.852 163 T HA -0.192 4.157 4.350 -0.000 0.000 0.361 163 T C 1.119 175.736 174.700 -0.139 0.000 0.759 163 T CA 1.118 63.136 62.100 -0.137 0.000 1.899 163 T CB -2.498 66.276 68.868 -0.156 0.000 1.822 163 T HN 2.319 nan 8.240 nan 0.000 0.778 164 G N -1.225 107.504 108.800 -0.119 0.000 2.176 164 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.253 164 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.253 164 G C -0.007 174.835 174.900 -0.096 0.000 0.979 164 G CA -0.104 44.938 45.100 -0.096 0.000 0.641 164 G HN 0.965 nan 8.290 nan 0.000 0.530 165 L N 1.494 122.629 121.223 -0.146 0.000 2.477 165 L HA 0.366 4.705 4.340 -0.000 0.000 0.272 165 L C 1.374 178.219 176.870 -0.042 0.000 1.157 165 L CA -0.175 54.580 54.840 -0.142 0.000 0.889 165 L CB 0.443 42.256 42.059 -0.410 0.000 1.158 165 L HN 0.225 nan 8.230 nan 0.000 0.473 166 L N 3.649 124.879 121.223 0.011 0.000 2.628 166 L HA -0.089 4.251 4.340 -0.000 0.000 0.274 166 L C 0.360 177.362 176.870 0.220 0.000 1.209 166 L CA 0.257 55.113 54.840 0.026 0.000 0.930 166 L CB -0.119 41.834 42.059 -0.178 0.000 1.183 166 L HN 0.569 nan 8.230 nan 0.000 0.492 167 D N 3.912 124.453 120.400 0.234 0.000 2.313 167 D HA 0.335 4.974 4.640 -0.000 0.000 0.239 167 D C -0.243 176.204 176.300 0.245 0.000 1.142 167 D CA -0.298 53.834 54.000 0.220 0.000 0.847 167 D CB 0.802 41.679 40.800 0.129 0.000 1.082 167 D HN 0.246 nan 8.370 nan 0.000 0.480 168 L N 2.416 123.678 121.223 0.064 0.000 2.426 168 L HA 0.288 4.628 4.340 -0.000 0.000 0.271 168 L C 0.700 177.497 176.870 -0.122 0.000 1.169 168 L CA -0.654 54.034 54.840 -0.252 0.000 0.836 168 L CB 0.858 42.706 42.059 -0.352 0.000 1.112 168 L HN 0.483 nan 8.230 nan 0.000 0.465 169 A N 5.067 127.779 122.820 -0.180 0.000 2.915 169 A HA 0.264 4.584 4.320 -0.000 0.000 0.292 169 A C 1.081 178.654 177.584 -0.019 0.000 1.632 169 A CA -0.314 51.701 52.037 -0.036 0.000 1.337 169 A CB -0.543 18.452 19.000 -0.009 0.000 1.111 169 A HN 0.826 nan 8.150 nan 0.000 0.569 170 L N 0.980 122.217 121.223 0.023 0.000 2.549 170 L HA -0.112 4.228 4.340 -0.000 0.000 0.229 170 L C 2.533 179.432 176.870 0.048 0.000 1.158 170 L CA 1.110 55.972 54.840 0.036 0.000 0.842 170 L CB -0.238 41.867 42.059 0.077 0.000 0.952 170 L HN 0.880 nan 8.230 nan 0.000 0.452 171 E N 1.190 121.419 120.200 0.049 0.000 2.371 171 E HA -0.084 4.265 4.350 -0.000 0.000 0.194 171 E C 0.350 176.963 176.600 0.022 0.000 1.012 171 E CA 0.147 56.560 56.400 0.023 0.000 0.860 171 E CB 0.138 29.836 29.700 -0.003 0.000 0.811 171 E HN 0.367 nan 8.360 nan 0.000 0.502 172 K N 1.624 122.047 120.400 0.038 0.000 2.322 172 K HA 0.014 4.334 4.320 -0.000 0.000 0.283 172 K C 0.211 176.850 176.600 0.064 0.000 1.042 172 K CA 0.205 56.529 56.287 0.062 0.000 0.958 172 K CB 1.047 33.606 32.500 0.098 0.000 0.984 172 K HN -0.051 nan 8.250 nan 0.000 0.473 173 D N 1.992 122.431 120.400 0.065 0.000 2.144 173 D HA -0.232 4.408 4.640 -0.000 0.000 0.199 173 D C 1.464 177.809 176.300 0.075 0.000 0.984 173 D CA 1.329 55.361 54.000 0.053 0.000 0.834 173 D CB 0.065 40.893 40.800 0.047 0.000 0.955 173 D HN 0.625 nan 8.370 nan 0.000 0.465 174 Y N 0.347 120.661 120.300 0.024 0.000 2.145 174 Y HA -0.195 4.354 4.550 -0.000 0.000 0.286 174 Y C 2.062 178.012 175.900 0.084 0.000 1.145 174 Y CA 1.470 59.598 58.100 0.047 0.000 1.148 174 Y CB -0.500 37.993 38.460 0.056 0.000 0.981 174 Y HN -0.078 nan 8.280 nan 0.000 0.507 175 V N 0.850 120.800 119.914 0.060 0.000 2.295 175 V HA -0.304 3.816 4.120 -0.000 0.000 0.246 175 V C 2.396 178.462 176.094 -0.047 0.000 1.049 175 V CA 2.287 64.599 62.300 0.021 0.000 1.024 175 V CB -0.659 31.165 31.823 0.002 0.000 0.648 175 V HN 0.334 nan 8.190 nan 0.000 0.447 176 R N 0.083 120.558 120.500 -0.041 0.000 2.091 176 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 176 R C 2.564 178.803 176.300 -0.103 0.000 1.136 176 R CA 1.773 57.838 56.100 -0.058 0.000 0.959 176 R CB -0.500 29.780 30.300 -0.033 0.000 0.856 176 R HN 0.453 nan 8.270 nan 0.000 0.437 177 S N 0.489 116.115 115.700 -0.124 0.000 2.383 177 S HA -0.052 4.418 4.470 -0.000 0.000 0.227 177 S C 1.665 176.142 174.600 -0.206 0.000 1.026 177 S CA 0.931 59.043 58.200 -0.146 0.000 0.981 177 S CB 0.040 63.167 63.200 -0.122 0.000 0.818 177 S HN 0.165 nan 8.310 nan 0.000 0.472 178 K N 1.441 121.666 120.400 -0.292 0.000 2.097 178 K HA 0.119 4.439 4.320 -0.000 0.000 0.205 178 K C 1.865 178.315 176.600 -0.250 0.000 1.050 178 K CA 0.906 57.027 56.287 -0.277 0.000 0.938 178 K CB -0.635 31.668 32.500 -0.328 0.000 0.718 178 K HN 0.401 nan 8.250 nan 0.000 0.442 179 I N 0.779 121.219 120.570 -0.217 0.000 2.315 179 I HA -0.217 3.953 4.170 -0.000 0.000 0.248 179 I C 2.306 178.261 176.117 -0.270 0.000 1.117 179 I CA 0.993 62.115 61.300 -0.298 0.000 1.404 179 I CB -0.289 37.606 38.000 -0.174 0.000 1.071 179 I HN 0.016 nan 8.210 nan 0.000 0.419 180 A N 0.243 122.931 122.820 -0.221 0.000 1.930 180 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 180 A C 2.300 179.750 177.584 -0.223 0.000 1.175 180 A CA 1.802 53.702 52.037 -0.227 0.000 0.627 180 A CB -0.600 18.298 19.000 -0.170 0.000 0.815 180 A HN 0.498 nan 8.150 nan 0.000 0.443 181 E N -1.397 118.698 120.200 -0.175 0.000 2.085 181 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 181 E C 1.842 178.401 176.600 -0.068 0.000 0.994 181 E CA 1.645 57.973 56.400 -0.120 0.000 0.801 181 E CB -0.353 29.290 29.700 -0.095 0.000 0.743 181 E HN 0.720 nan 8.360 nan 0.000 0.453 182 Y N 0.840 120.978 120.300 -0.271 0.000 2.163 182 Y HA -0.143 4.407 4.550 -0.000 0.000 0.288 182 Y C 2.042 177.842 175.900 -0.167 0.000 1.136 182 Y CA 1.897 59.849 58.100 -0.246 0.000 1.147 182 Y CB -0.361 37.712 38.460 -0.644 0.000 0.987 182 Y HN 0.020 nan 8.280 nan 0.000 0.509 183 M N 0.122 119.405 119.600 -0.527 0.000 2.175 183 M HA -0.202 4.277 4.480 -0.000 0.000 0.264 183 M C 1.716 177.866 176.300 -0.251 0.000 1.063 183 M CA 1.538 56.486 55.300 -0.587 0.000 1.119 183 M CB -0.396 31.746 32.600 -0.764 0.000 1.377 183 M HN 0.229 nan 8.290 nan 0.000 0.415 184 N N -0.361 118.175 118.700 -0.273 0.000 2.244 184 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 184 N C 1.606 177.067 175.510 -0.081 0.000 1.016 184 N CA 1.140 53.991 53.050 -0.332 0.000 0.866 184 N CB -0.560 37.521 38.487 -0.676 0.000 0.980 184 N HN 0.386 nan 8.380 nan 0.000 0.430 185 H N 1.167 120.155 119.070 -0.137 0.000 2.352 185 H HA 0.042 4.598 4.556 -0.000 0.000 0.299 185 H C 1.999 177.321 175.328 -0.009 0.000 1.097 185 H CA 1.347 57.373 56.048 -0.038 0.000 1.311 185 H CB -0.438 29.317 29.762 -0.012 0.000 1.377 185 H HN 0.124 nan 8.280 nan 0.000 0.504 186 L N -0.533 120.613 121.223 -0.128 0.000 2.056 186 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 186 L C 2.745 179.606 176.870 -0.014 0.000 1.078 186 L CA 1.173 55.932 54.840 -0.135 0.000 0.749 186 L CB -0.373 41.592 42.059 -0.157 0.000 0.901 186 L HN 0.235 nan 8.230 nan 0.000 0.433 187 I N 0.036 120.628 120.570 0.037 0.000 2.163 187 I HA -0.310 3.859 4.170 -0.000 0.000 0.243 187 I C 2.035 178.218 176.117 0.110 0.000 1.085 187 I CA 1.310 62.636 61.300 0.042 0.000 1.347 187 I CB -0.390 37.657 38.000 0.078 0.000 1.044 187 I HN 0.273 nan 8.210 nan 0.000 0.408 188 D N 0.756 121.254 120.400 0.162 0.000 2.218 188 D HA -0.115 4.525 4.640 -0.000 0.000 0.204 188 D C 2.188 178.616 176.300 0.214 0.000 0.976 188 D CA 1.181 55.309 54.000 0.213 0.000 0.853 188 D CB -0.153 40.792 40.800 0.243 0.000 0.939 188 D HN 0.367 nan 8.370 nan 0.000 0.481 189 I N -0.451 120.225 120.570 0.175 0.000 2.394 189 I HA -0.086 4.084 4.170 -0.000 0.000 0.251 189 I C 1.754 177.989 176.117 0.197 0.000 1.136 189 I CA 1.309 62.713 61.300 0.172 0.000 1.425 189 I CB 0.131 38.203 38.000 0.118 0.000 1.079 189 I HN 0.182 nan 8.210 nan 0.000 0.425 190 G N 0.218 109.103 108.800 0.142 0.000 2.559 190 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.202 190 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.202 190 G C 0.332 175.181 174.900 -0.085 0.000 0.992 190 G CA -0.066 45.102 45.100 0.114 0.000 0.764 190 G HN 0.189 nan 8.290 nan 0.000 0.525 191 V N -0.332 119.473 119.914 -0.182 0.000 2.872 191 V HA 0.669 4.789 4.120 -0.000 0.000 0.307 191 V C 1.297 177.138 176.094 -0.421 0.000 1.072 191 V CA 0.985 63.067 62.300 -0.363 0.000 1.148 191 V CB 1.408 32.957 31.823 -0.456 0.000 0.954 191 V HN 1.295 nan 8.190 nan 0.000 0.490 192 A N 2.811 125.307 122.820 -0.541 0.000 2.267 192 A HA 0.760 5.080 4.320 -0.000 0.000 0.213 192 A C 1.150 178.568 177.584 -0.277 0.000 1.192 192 A CA 0.651 52.378 52.037 -0.517 0.000 0.851 192 A CB -0.441 18.294 19.000 -0.441 0.000 0.881 192 A HN 2.052 nan 8.150 nan 0.000 0.494 193 G N -1.921 106.670 108.800 -0.349 0.000 2.340 193 G HA2 0.487 4.447 3.960 -0.000 0.000 0.299 193 G HA3 0.487 4.447 3.960 -0.000 0.000 0.299 193 G C -1.602 173.035 174.900 -0.439 0.000 1.291 193 G CA -0.675 44.392 45.100 -0.056 0.000 0.841 193 G HN 0.216 nan 8.290 nan 0.000 0.500 194 F N -0.623 119.326 119.950 -0.002 0.000 2.631 194 F HA 0.679 5.206 4.527 -0.000 0.000 0.308 194 F C 0.136 175.565 175.800 -0.619 0.000 1.097 194 F CA -0.885 56.998 58.000 -0.196 0.000 0.952 194 F CB 2.441 41.322 39.000 -0.198 0.000 1.307 194 F HN 0.477 nan 8.300 nan 0.000 0.450 195 R N 3.012 123.210 120.500 -0.504 0.000 2.207 195 R HA 0.523 4.863 4.340 -0.000 0.000 0.334 195 R C -1.510 174.613 176.300 -0.296 0.000 1.013 195 R CA -0.385 55.189 56.100 -0.878 0.000 0.858 195 R CB 0.452 30.340 30.300 -0.687 0.000 1.094 195 R HN 0.787 nan 8.270 nan 0.000 0.457 196 L N 5.262 126.337 121.223 -0.248 0.000 2.312 196 L HA 0.139 4.479 4.340 -0.000 0.000 0.287 196 L C 0.632 177.485 176.870 -0.029 0.000 1.091 196 L CA -0.277 54.502 54.840 -0.102 0.000 0.846 196 L CB 0.604 42.604 42.059 -0.098 0.000 1.219 196 L HN 0.606 nan 8.230 nan 0.000 0.439 197 D N 4.424 124.851 120.400 0.045 0.000 2.443 197 D HA 0.064 4.704 4.640 -0.000 0.000 0.239 197 D C 0.743 177.119 176.300 0.126 0.000 1.136 197 D CA 0.632 54.706 54.000 0.123 0.000 0.879 197 D CB 1.160 42.098 40.800 0.229 0.000 1.195 197 D HN 0.739 nan 8.370 nan 0.000 0.443 198 A N 3.200 126.115 122.820 0.158 0.000 2.745 198 A HA -0.209 4.110 4.320 -0.000 0.000 0.296 198 A C 1.643 179.304 177.584 0.128 0.000 1.500 198 A CA 1.055 53.233 52.037 0.235 0.000 0.766 198 A CB -1.995 17.209 19.000 0.341 0.000 1.030 198 A HN 0.500 nan 8.150 nan 0.000 0.489 199 S N -0.602 115.085 115.700 -0.021 0.000 2.423 199 S HA -0.125 4.344 4.470 -0.000 0.000 0.231 199 S C 1.850 176.283 174.600 -0.279 0.000 1.014 199 S CA 1.377 59.489 58.200 -0.148 0.000 0.965 199 S CB -0.124 62.908 63.200 -0.280 0.000 0.785 199 S HN 0.840 nan 8.310 nan 0.000 0.495 200 K N 0.721 120.917 120.400 -0.340 0.000 2.209 200 K HA -0.134 4.186 4.320 -0.000 0.000 0.204 200 K C 0.916 177.298 176.600 -0.363 0.000 1.048 200 K CA 1.129 57.192 56.287 -0.372 0.000 0.940 200 K CB -0.130 32.118 32.500 -0.420 0.000 0.729 200 K HN 0.462 nan 8.250 nan 0.000 0.451 201 H N -0.417 118.629 119.070 -0.041 0.000 2.526 201 H HA 0.187 4.742 4.556 -0.000 0.000 0.274 201 H C 0.031 175.313 175.328 -0.076 0.000 0.999 201 H CA 0.311 56.321 56.048 -0.063 0.000 1.157 201 H CB 0.074 29.835 29.762 -0.002 0.000 1.407 201 H HN 0.170 nan 8.280 nan 0.000 0.568 202 M N -0.243 119.370 119.600 0.022 0.000 2.464 202 M HA 0.181 4.660 4.480 -0.000 0.000 0.308 202 M C -0.992 175.352 176.300 0.073 0.000 1.127 202 M CA -0.812 54.526 55.300 0.063 0.000 0.913 202 M CB 2.395 35.076 32.600 0.134 0.000 1.689 202 M HN 0.011 nan 8.290 nan 0.000 0.445 203 W N 2.912 124.276 121.300 0.106 0.000 2.253 203 W HA 0.202 4.861 4.660 -0.000 0.000 0.322 203 W C -1.721 174.802 176.519 0.007 0.000 1.342 203 W CA -0.912 56.456 57.345 0.039 0.000 1.218 203 W CB -0.101 29.362 29.460 0.006 0.000 1.205 203 W HN 0.496 nan 8.180 nan 0.000 0.551 204 P HA -0.229 nan 4.420 nan 0.000 0.217 204 P C 1.709 179.040 177.300 0.051 0.000 1.151 204 P CA 2.514 65.558 63.100 -0.094 0.000 0.849 204 P CB 0.077 31.550 31.700 -0.378 0.000 0.787 205 G N -0.693 108.160 108.800 0.089 0.000 2.422 205 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 205 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 205 G C 1.252 176.190 174.900 0.063 0.000 1.140 205 G CA 0.724 45.855 45.100 0.050 0.000 0.775 205 G HN 0.182 nan 8.290 nan 0.000 0.545 206 D N 0.564 121.039 120.400 0.126 0.000 2.123 206 D HA -0.022 4.618 4.640 -0.000 0.000 0.200 206 D C 2.564 178.909 176.300 0.076 0.000 0.976 206 D CA 0.305 54.369 54.000 0.105 0.000 0.831 206 D CB -0.115 40.791 40.800 0.177 0.000 0.974 206 D HN 0.339 nan 8.370 nan 0.000 0.469 207 I N 0.653 121.285 120.570 0.102 0.000 2.208 207 I HA -0.285 3.885 4.170 -0.000 0.000 0.245 207 I C 2.309 178.443 176.117 0.028 0.000 1.097 207 I CA 1.013 62.353 61.300 0.067 0.000 1.363 207 I CB -0.092 37.983 38.000 0.124 0.000 1.051 207 I HN -0.081 nan 8.210 nan 0.000 0.413 208 K N 1.502 121.926 120.400 0.039 0.000 2.063 208 K HA -0.167 4.153 4.320 -0.000 0.000 0.208 208 K C 2.067 178.667 176.600 -0.000 0.000 1.048 208 K CA 1.754 58.051 56.287 0.018 0.000 0.928 208 K CB -0.378 32.137 32.500 0.025 0.000 0.713 208 K HN 0.292 nan 8.250 nan 0.000 0.442 209 A N 0.479 123.301 122.820 0.003 0.000 1.940 209 A HA -0.124 4.196 4.320 -0.000 0.000 0.219 209 A C 2.233 179.802 177.584 -0.025 0.000 1.176 209 A CA 1.760 53.792 52.037 -0.008 0.000 0.631 209 A CB -0.635 18.363 19.000 -0.003 0.000 0.814 209 A HN 0.367 nan 8.150 nan 0.000 0.446 210 I N -0.436 120.114 120.570 -0.035 0.000 2.252 210 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 210 I C 2.245 178.306 176.117 -0.093 0.000 1.102 210 I CA 0.955 62.212 61.300 -0.072 0.000 1.385 210 I CB -0.260 37.688 38.000 -0.088 0.000 1.064 210 I HN 0.274 nan 8.210 nan 0.000 0.414 211 L N 0.186 121.361 121.223 -0.079 0.000 2.191 211 L HA -0.220 4.119 4.340 -0.000 0.000 0.212 211 L C 1.784 178.621 176.870 -0.056 0.000 1.103 211 L CA 0.999 55.788 54.840 -0.084 0.000 0.769 211 L CB -0.674 41.345 42.059 -0.067 0.000 0.908 211 L HN 0.256 nan 8.230 nan 0.000 0.438 212 D N 0.327 120.704 120.400 -0.037 0.000 2.310 212 D HA -0.120 4.520 4.640 -0.000 0.000 0.212 212 D C 1.809 178.101 176.300 -0.015 0.000 0.965 212 D CA 1.045 55.034 54.000 -0.019 0.000 0.879 212 D CB 0.109 40.903 40.800 -0.011 0.000 0.921 212 D HN 0.278 nan 8.370 nan 0.000 0.510 213 K N -0.464 119.916 120.400 -0.034 0.000 2.374 213 K HA 0.097 4.417 4.320 -0.000 0.000 0.196 213 K C -0.006 176.574 176.600 -0.033 0.000 1.023 213 K CA -0.354 55.916 56.287 -0.028 0.000 1.103 213 K CB 0.696 33.163 32.500 -0.054 0.000 0.848 213 K HN -0.050 nan 8.250 nan 0.000 0.528 214 L N 1.353 122.546 121.223 -0.049 0.000 2.395 214 L HA 0.141 4.480 4.340 -0.000 0.000 0.269 214 L C 0.427 177.342 176.870 0.074 0.000 1.133 214 L CA 0.022 54.824 54.840 -0.063 0.000 0.812 214 L CB 0.388 42.400 42.059 -0.078 0.000 1.125 214 L HN 0.174 nan 8.230 nan 0.000 0.452 215 H N 1.139 120.204 119.070 -0.009 0.000 2.597 215 H HA 0.202 4.758 4.556 -0.000 0.000 0.370 215 H C -0.039 175.288 175.328 -0.002 0.000 1.281 215 H CA -0.687 55.361 56.048 0.000 0.000 1.422 215 H CB 0.699 30.470 29.762 0.014 0.000 1.524 215 H HN 0.598 nan 8.280 nan 0.000 0.607 216 N N 0.187 118.966 118.700 0.131 0.000 2.424 216 N HA 0.102 4.842 4.740 -0.000 0.000 0.257 216 N C -0.317 175.221 175.510 0.045 0.000 1.250 216 N CA -0.614 52.469 53.050 0.054 0.000 0.946 216 N CB 0.785 39.291 38.487 0.032 0.000 1.175 216 N HN 0.188 nan 8.380 nan 0.000 0.477 217 L N 1.067 122.262 121.223 -0.047 0.000 2.482 217 L HA 0.007 4.347 4.340 -0.000 0.000 0.273 217 L C 0.779 177.724 176.870 0.125 0.000 1.228 217 L CA -0.068 54.700 54.840 -0.121 0.000 0.827 217 L CB -0.017 41.648 42.059 -0.656 0.000 1.099 217 L HN 0.606 nan 8.230 nan 0.000 0.494 218 N N 0.075 118.941 118.700 0.276 0.000 2.374 218 N HA -0.090 4.649 4.740 -0.000 0.000 0.269 218 N C 1.073 176.799 175.510 0.360 0.000 1.310 218 N CA 0.163 53.417 53.050 0.341 0.000 0.877 218 N CB 0.612 39.378 38.487 0.465 0.000 1.096 218 N HN 0.608 nan 8.380 nan 0.000 0.484 219 S N 2.462 118.266 115.700 0.173 0.000 2.537 219 S HA -0.085 4.385 4.470 -0.000 0.000 0.240 219 S C 1.168 175.782 174.600 0.023 0.000 0.981 219 S CA 0.340 58.607 58.200 0.112 0.000 0.948 219 S CB -0.073 63.155 63.200 0.047 0.000 0.759 219 S HN 0.625 nan 8.310 nan 0.000 0.531 220 N N 0.065 118.724 118.700 -0.068 0.000 2.409 220 N HA 0.042 4.781 4.740 -0.000 0.000 0.179 220 N C 0.650 175.940 175.510 -0.367 0.000 1.032 220 N CA 0.878 53.737 53.050 -0.317 0.000 0.898 220 N CB -0.040 38.071 38.487 -0.626 0.000 0.971 220 N HN 0.621 nan 8.380 nan 0.000 0.441 221 W N -0.562 120.670 121.300 -0.114 0.000 2.942 221 W HA 0.288 4.947 4.660 -0.000 0.000 0.260 221 W C -0.149 176.070 176.519 -0.500 0.000 1.101 221 W CA -0.185 56.935 57.345 -0.374 0.000 1.436 221 W CB 0.099 29.176 29.460 -0.638 0.000 0.883 221 W HN -0.186 nan 8.180 nan 0.000 0.646 222 F N 1.792 121.861 119.950 0.197 0.000 2.507 222 F HA 0.471 4.998 4.527 -0.000 0.000 0.327 222 F C -1.706 174.130 175.800 0.061 0.000 1.068 222 F CA -2.674 55.389 58.000 0.105 0.000 0.965 222 F CB 0.070 39.122 39.000 0.086 0.000 1.192 222 F HN -0.438 nan 8.300 nan 0.000 0.476 223 P HA 0.148 nan 4.420 nan 0.000 0.269 223 P C -0.753 176.618 177.300 0.118 0.000 1.215 223 P CA -0.366 62.811 63.100 0.128 0.000 0.780 223 P CB 0.486 32.245 31.700 0.097 0.000 0.898 224 A N 1.512 124.377 122.820 0.074 0.000 2.531 224 A HA 0.395 4.715 4.320 -0.000 0.000 0.236 224 A C 1.505 179.118 177.584 0.049 0.000 1.062 224 A CA 0.770 52.840 52.037 0.056 0.000 0.760 224 A CB -1.405 17.615 19.000 0.033 0.000 0.995 224 A HN 0.937 nan 8.150 nan 0.000 0.501 225 G N 1.276 110.099 108.800 0.039 0.000 2.179 225 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.260 225 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.260 225 G C 0.459 175.375 174.900 0.026 0.000 0.977 225 G CA 0.395 45.513 45.100 0.029 0.000 0.641 225 G HN 1.248 nan 8.290 nan 0.000 0.533 226 S N 1.734 117.452 115.700 0.031 0.000 2.516 226 S HA 0.446 4.916 4.470 -0.000 0.000 0.282 226 S C 0.485 175.060 174.600 -0.041 0.000 1.286 226 S CA -0.016 58.184 58.200 0.001 0.000 1.066 226 S CB 1.062 64.265 63.200 0.004 0.000 0.884 226 S HN 0.360 nan 8.310 nan 0.000 0.491 227 K N 3.892 124.270 120.400 -0.035 0.000 2.138 227 K HA 0.403 4.723 4.320 -0.000 0.000 0.263 227 K C -2.654 173.922 176.600 -0.040 0.000 0.965 227 K CA -2.579 53.690 56.287 -0.031 0.000 0.868 227 K CB 0.746 33.236 32.500 -0.018 0.000 1.083 227 K HN 0.311 nan 8.250 nan 0.000 0.443 228 P HA -0.035 nan 4.420 nan 0.000 0.268 228 P C -0.269 177.109 177.300 0.130 0.000 1.204 228 P CA -0.229 62.888 63.100 0.027 0.000 0.768 228 P CB 0.223 32.002 31.700 0.133 0.000 0.842 229 F N 4.939 124.893 119.950 0.008 0.000 2.543 229 F HA 0.181 4.708 4.527 -0.000 0.000 0.375 229 F C -0.142 175.722 175.800 0.108 0.000 1.075 229 F CA -0.504 57.518 58.000 0.037 0.000 1.225 229 F CB -0.090 38.955 39.000 0.076 0.000 1.099 229 F HN 0.124 nan 8.300 nan 0.000 0.561 230 I N 8.827 129.222 120.570 -0.292 0.000 2.418 230 I HA 0.171 4.340 4.170 -0.000 0.000 0.287 230 I C -1.192 174.660 176.117 -0.443 0.000 1.008 230 I CA -0.766 60.344 61.300 -0.316 0.000 1.104 230 I CB 1.040 38.947 38.000 -0.155 0.000 1.264 230 I HN 0.549 nan 8.210 nan 0.000 0.438 231 Y N 3.511 123.475 120.300 -0.560 0.000 2.332 231 Y HA 0.675 5.225 4.550 -0.000 0.000 0.326 231 Y C -0.458 175.345 175.900 -0.161 0.000 0.978 231 Y CA -1.248 56.620 58.100 -0.387 0.000 1.205 231 Y CB 0.664 38.843 38.460 -0.468 0.000 1.131 231 Y HN 0.489 nan 8.280 nan 0.000 0.462 232 Q N 2.759 122.557 119.800 -0.004 0.000 2.279 232 Q HA 0.152 4.492 4.340 -0.000 0.000 0.256 232 Q C -0.387 175.622 176.000 0.015 0.000 0.937 232 Q CA -0.494 55.284 55.803 -0.042 0.000 0.933 232 Q CB 1.563 30.267 28.738 -0.057 0.000 1.189 232 Q HN 0.703 nan 8.270 nan 0.000 0.417 233 E N 3.197 123.407 120.200 0.017 0.000 1.944 233 E HA 0.133 4.483 4.350 -0.000 0.000 0.272 233 E C -1.316 175.315 176.600 0.051 0.000 1.195 233 E CA -0.173 56.308 56.400 0.136 0.000 0.926 233 E CB 0.366 30.158 29.700 0.153 0.000 1.051 233 E HN 0.314 nan 8.360 nan 0.000 0.404 234 V N 7.111 127.077 119.914 0.088 0.000 2.376 234 V HA 0.289 4.409 4.120 -0.000 0.000 0.287 234 V C 0.154 176.284 176.094 0.060 0.000 1.015 234 V CA -0.657 61.604 62.300 -0.065 0.000 0.834 234 V CB 1.489 33.174 31.823 -0.230 0.000 1.001 234 V HN 0.588 nan 8.190 nan 0.000 0.428 235 I N 4.484 124.970 120.570 -0.140 0.000 2.294 235 I HA 0.283 4.453 4.170 -0.000 0.000 0.295 235 I C -0.325 175.715 176.117 -0.128 0.000 1.098 235 I CA 0.322 61.448 61.300 -0.289 0.000 1.277 235 I CB 0.529 38.203 38.000 -0.544 0.000 1.434 235 I HN 0.574 nan 8.210 nan 0.000 0.498 236 D N 7.748 128.147 120.400 -0.002 0.000 2.389 236 D HA 0.411 5.051 4.640 -0.000 0.000 0.256 236 D C -0.263 176.060 176.300 0.040 0.000 1.239 236 D CA -0.279 53.728 54.000 0.012 0.000 0.925 236 D CB 0.874 41.700 40.800 0.044 0.000 1.145 236 D HN 0.279 nan 8.370 nan 0.000 0.542 237 L N 1.542 122.771 121.223 0.010 0.000 2.617 237 L HA 0.643 4.982 4.340 -0.000 0.000 0.193 237 L C 1.705 178.595 176.870 0.033 0.000 1.655 237 L CA -0.822 54.039 54.840 0.035 0.000 3.079 237 L CB -0.724 41.346 42.059 0.019 0.000 2.896 237 L HN 0.346 nan 8.230 nan 0.000 0.876 238 G N -0.821 107.992 108.800 0.022 0.000 2.653 238 G HA2 0.316 4.276 3.960 -0.000 0.000 0.265 238 G HA3 0.316 4.276 3.960 -0.000 0.000 0.265 238 G C 0.163 175.068 174.900 0.009 0.000 1.237 238 G CA -0.023 45.088 45.100 0.019 0.000 0.946 238 G HN 0.624 nan 8.290 nan 0.000 0.522 239 G N -0.612 108.193 108.800 0.009 0.000 2.775 239 G HA2 0.206 4.166 3.960 -0.000 0.000 0.298 239 G HA3 0.206 4.166 3.960 -0.000 0.000 0.298 239 G C 0.053 174.959 174.900 0.009 0.000 0.415 239 G CA 0.880 45.985 45.100 0.008 0.000 1.178 239 G HN 0.659 nan 8.290 nan 0.000 0.205 240 E N 2.771 122.979 120.200 0.014 0.000 2.335 240 E HA 0.272 4.622 4.350 -0.000 0.000 0.280 240 E C -1.561 175.053 176.600 0.023 0.000 0.918 240 E CA -1.793 54.621 56.400 0.023 0.000 0.765 240 E CB 2.181 31.892 29.700 0.017 0.000 1.218 240 E HN 0.238 nan 8.360 nan 0.000 0.425 241 P HA -0.110 nan 4.420 nan 0.000 0.216 241 P C 0.444 177.751 177.300 0.012 0.000 1.153 241 P CA 1.087 64.198 63.100 0.018 0.000 0.858 241 P CB 0.257 31.968 31.700 0.018 0.000 0.789 242 I N 0.254 120.833 120.570 0.014 0.000 2.496 242 I HA 0.067 4.237 4.170 -0.000 0.000 0.285 242 I C 0.601 176.739 176.117 0.034 0.000 1.080 242 I CA -0.100 61.212 61.300 0.020 0.000 1.404 242 I CB 0.428 38.438 38.000 0.017 0.000 1.403 242 I HN -0.165 nan 8.210 nan 0.000 0.539 243 K N 3.524 123.947 120.400 0.038 0.000 2.259 243 K HA 0.287 4.607 4.320 -0.000 0.000 0.252 243 K C 0.843 177.481 176.600 0.064 0.000 0.936 243 K CA -0.574 55.727 56.287 0.023 0.000 0.810 243 K CB 1.799 34.283 32.500 -0.027 0.000 1.143 243 K HN 0.608 nan 8.250 nan 0.000 0.427 244 S N -0.088 115.644 115.700 0.053 0.000 2.442 244 S HA -0.210 4.260 4.470 -0.000 0.000 0.236 244 S C 1.737 176.260 174.600 -0.129 0.000 1.007 244 S CA 1.500 59.757 58.200 0.095 0.000 0.965 244 S CB -0.521 62.760 63.200 0.135 0.000 0.773 244 S HN 0.651 nan 8.310 nan 0.000 0.504 245 S N 2.124 117.532 115.700 -0.486 0.000 2.442 245 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 245 S C 1.158 175.296 174.600 -0.770 0.000 1.007 245 S CA 1.000 58.380 58.200 -1.367 0.000 0.965 245 S CB -0.609 62.110 63.200 -0.802 0.000 0.773 245 S HN 0.457 nan 8.310 nan 0.000 0.504 246 D N 0.561 120.769 120.400 -0.319 0.000 2.351 246 D HA -0.035 4.605 4.640 -0.000 0.000 0.216 246 D C 0.448 176.519 176.300 -0.382 0.000 0.968 246 D CA 0.903 54.720 54.000 -0.304 0.000 0.899 246 D CB -0.256 40.347 40.800 -0.328 0.000 0.907 246 D HN 0.631 nan 8.370 nan 0.000 0.514 247 Y N -1.184 119.055 120.300 -0.101 0.000 2.467 247 Y HA 0.134 4.684 4.550 -0.000 0.000 0.250 247 Y C 1.398 177.449 175.900 0.252 0.000 1.155 247 Y CA -0.492 57.648 58.100 0.067 0.000 1.249 247 Y CB 0.053 38.560 38.460 0.078 0.000 1.146 247 Y HN -0.180 nan 8.280 nan 0.000 0.524 248 F N -0.058 120.017 119.950 0.208 0.000 2.269 248 F HA -0.076 4.451 4.527 -0.000 0.000 0.301 248 F C 2.278 178.237 175.800 0.265 0.000 1.082 248 F CA 1.033 59.161 58.000 0.214 0.000 1.360 248 F CB -1.211 37.864 39.000 0.125 0.000 1.041 248 F HN 0.122 nan 8.300 nan 0.000 0.512 249 G N -0.698 108.319 108.800 0.362 0.000 2.679 249 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.212 249 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.212 249 G C 1.480 176.513 174.900 0.222 0.000 1.137 249 G CA 0.454 45.720 45.100 0.276 0.000 0.787 249 G HN 0.265 nan 8.290 nan 0.000 0.534 250 N N 0.029 118.857 118.700 0.214 0.000 2.407 250 N HA 0.258 4.998 4.740 -0.000 0.000 0.182 250 N C 1.091 176.577 175.510 -0.040 0.000 1.079 250 N CA 0.974 54.075 53.050 0.085 0.000 0.882 250 N CB 1.280 39.843 38.487 0.126 0.000 1.106 250 N HN 0.423 nan 8.380 nan 0.000 0.461 251 G N -0.162 108.697 108.800 0.098 0.000 2.351 251 G HA2 0.117 4.077 3.960 -0.000 0.000 0.279 251 G HA3 0.117 4.077 3.960 -0.000 0.000 0.279 251 G C -1.324 173.770 174.900 0.324 0.000 1.297 251 G CA -0.910 44.171 45.100 -0.033 0.000 0.886 251 G HN -0.040 nan 8.290 nan 0.000 0.493 252 R N -0.995 119.638 120.500 0.222 0.000 2.649 252 R HA 0.607 4.947 4.340 -0.000 0.000 0.270 252 R C 0.076 176.492 176.300 0.193 0.000 1.105 252 R CA 0.061 56.286 56.100 0.207 0.000 1.193 252 R CB 1.197 31.590 30.300 0.155 0.000 1.120 252 R HN 1.092 nan 8.270 nan 0.000 0.561 253 V N -2.708 117.331 119.914 0.209 0.000 2.962 253 V HA 0.422 4.542 4.120 -0.000 0.000 0.313 253 V C -0.016 176.188 176.094 0.184 0.000 1.099 253 V CA -1.099 61.328 62.300 0.212 0.000 0.971 253 V CB 1.854 33.849 31.823 0.288 0.000 1.028 253 V HN 0.915 nan 8.190 nan 0.000 0.430 254 T N 0.052 114.729 114.554 0.206 0.000 2.853 254 T HA 0.388 4.738 4.350 -0.000 0.000 0.298 254 T C -0.073 174.706 174.700 0.131 0.000 0.978 254 T CA 0.059 62.280 62.100 0.201 0.000 1.152 254 T CB 0.850 69.860 68.868 0.237 0.000 0.914 254 T HN 1.008 nan 8.240 nan 0.000 0.539 255 E N 2.332 122.498 120.200 -0.057 0.000 1.998 255 E HA 0.310 4.660 4.350 -0.000 0.000 0.257 255 E C -0.351 176.028 176.600 -0.367 0.000 1.038 255 E CA -1.123 55.191 56.400 -0.143 0.000 0.869 255 E CB -0.591 29.005 29.700 -0.174 0.000 1.135 255 E HN 0.670 nan 8.360 nan 0.000 0.430 256 F N 2.304 122.167 119.950 -0.145 0.000 2.502 256 F HA 0.006 4.533 4.527 0.000 0.000 0.298 256 F C 1.757 177.431 175.800 -0.211 0.000 1.111 256 F CA 0.744 58.652 58.000 -0.154 0.000 1.445 256 F CB 0.186 39.195 39.000 0.015 0.000 1.081 256 F HN 0.366 nan 8.300 nan 0.000 0.558 257 K N -0.992 119.329 120.400 -0.132 0.000 2.211 257 K HA -0.208 4.112 4.320 -0.000 0.000 0.203 257 K C 1.760 178.090 176.600 -0.449 0.000 1.050 257 K CA 1.054 57.219 56.287 -0.204 0.000 0.945 257 K CB -0.348 32.035 32.500 -0.195 0.000 0.732 257 K HN 0.260 nan 8.250 nan 0.000 0.451 258 Y N 1.190 120.954 120.300 -0.894 0.000 2.049 258 Y HA -0.239 4.311 4.550 -0.000 0.000 0.277 258 Y C 2.412 178.161 175.900 -0.252 0.000 1.143 258 Y CA 2.091 59.718 58.100 -0.789 0.000 1.115 258 Y CB -0.740 37.279 38.460 -0.734 0.000 0.975 258 Y HN 0.045 nan 8.280 nan 0.000 0.487 259 G N -0.720 108.023 108.800 -0.094 0.000 2.408 259 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 259 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 259 G C 1.767 176.654 174.900 -0.022 0.000 1.150 259 G CA 0.896 45.973 45.100 -0.040 0.000 0.776 259 G HN 0.630 nan 8.290 nan 0.000 0.542 260 A N 0.766 123.587 122.820 0.001 0.000 1.858 260 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 260 A C 2.391 180.005 177.584 0.049 0.000 1.190 260 A CA 1.995 54.060 52.037 0.048 0.000 0.617 260 A CB -0.283 18.771 19.000 0.090 0.000 0.827 260 A HN 0.193 nan 8.150 nan 0.000 0.443 261 K N -0.715 119.748 120.400 0.105 0.000 2.062 261 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 261 K C 1.852 178.460 176.600 0.013 0.000 1.051 261 K CA 0.930 57.339 56.287 0.203 0.000 0.941 261 K CB -0.935 31.852 32.500 0.479 0.000 0.719 261 K HN 0.406 nan 8.250 nan 0.000 0.440 262 L N 0.799 121.965 121.223 -0.095 0.000 2.083 262 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 262 L C 1.982 178.645 176.870 -0.344 0.000 1.083 262 L CA 2.108 56.694 54.840 -0.424 0.000 0.752 262 L CB -1.069 40.718 42.059 -0.454 0.000 0.899 262 L HN 0.238 nan 8.230 nan 0.000 0.433 263 G N -1.753 106.913 108.800 -0.224 0.000 2.421 263 G HA2 -0.307 3.652 3.960 -0.000 0.000 0.216 263 G HA3 -0.307 3.652 3.960 -0.000 0.000 0.216 263 G C 1.537 176.203 174.900 -0.390 0.000 1.171 263 G CA 1.351 46.288 45.100 -0.272 0.000 0.775 263 G HN 0.510 nan 8.290 nan 0.000 0.543 264 T N -0.776 113.614 114.554 -0.273 0.000 2.788 264 T HA -0.088 4.261 4.350 -0.000 0.000 0.268 264 T C 2.281 176.876 174.700 -0.176 0.000 1.044 264 T CA 1.539 63.504 62.100 -0.224 0.000 1.139 264 T CB -0.453 68.461 68.868 0.076 0.000 0.867 264 T HN 0.010 nan 8.240 nan 0.000 0.454 265 V N 1.320 121.129 119.914 -0.175 0.000 2.270 265 V HA -0.015 4.105 4.120 -0.000 0.000 0.245 265 V C 2.707 178.623 176.094 -0.298 0.000 1.043 265 V CA 1.656 63.834 62.300 -0.204 0.000 1.014 265 V CB -0.548 31.074 31.823 -0.334 0.000 0.645 265 V HN 0.484 nan 8.190 nan 0.000 0.447 266 I N -0.613 119.730 120.570 -0.378 0.000 2.493 266 I HA -0.168 4.002 4.170 -0.000 0.000 0.254 266 I C 2.503 178.448 176.117 -0.286 0.000 1.160 266 I CA 1.272 62.359 61.300 -0.355 0.000 1.445 266 I CB -0.254 37.524 38.000 -0.369 0.000 1.086 266 I HN 0.181 nan 8.210 nan 0.000 0.433 267 R N 0.878 121.161 120.500 -0.360 0.000 2.275 267 R HA 0.041 4.380 4.340 -0.000 0.000 0.199 267 R C 0.227 176.438 176.300 -0.148 0.000 0.989 267 R CA 0.144 56.014 56.100 -0.384 0.000 1.016 267 R CB 0.074 29.781 30.300 -0.988 0.000 0.918 267 R HN 0.152 nan 8.270 nan 0.000 0.473 268 K N -0.377 119.955 120.400 -0.114 0.000 3.125 268 K HA -0.163 4.157 4.320 -0.000 0.000 0.268 268 K C -1.103 175.632 176.600 0.225 0.000 1.078 268 K CA 0.320 56.617 56.287 0.017 0.000 0.775 268 K CB -1.038 31.461 32.500 -0.002 0.000 1.253 268 K HN 0.138 nan 8.250 nan 0.000 0.486 269 W N 2.152 123.440 121.300 -0.020 0.000 2.261 269 W HA 0.123 4.784 4.660 0.000 0.000 0.323 269 W C 0.897 177.426 176.519 0.016 0.000 1.243 269 W CA -0.102 57.242 57.345 -0.002 0.000 1.210 269 W CB -0.249 29.213 29.460 0.004 0.000 1.149 269 W HN 0.431 nan 8.180 nan 0.000 0.562 270 N N 0.089 118.900 118.700 0.186 0.000 2.686 270 N HA -0.189 4.551 4.740 -0.000 0.000 0.261 270 N C 0.728 176.308 175.510 0.118 0.000 1.001 270 N CA 1.008 54.120 53.050 0.105 0.000 0.764 270 N CB -1.451 37.090 38.487 0.091 0.000 0.898 270 N HN 1.039 nan 8.380 nan 0.000 0.544 271 G N -2.004 106.862 108.800 0.109 0.000 2.189 271 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.267 271 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.267 271 G C -0.052 174.926 174.900 0.131 0.000 0.975 271 G CA 0.589 45.756 45.100 0.110 0.000 0.644 271 G HN 0.723 nan 8.290 nan 0.000 0.537 272 E N 0.834 121.115 120.200 0.135 0.000 2.383 272 E HA 0.421 4.771 4.350 -0.000 0.000 0.264 272 E C 0.557 177.075 176.600 -0.137 0.000 1.050 272 E CA 0.505 56.974 56.400 0.115 0.000 0.896 272 E CB 0.633 30.428 29.700 0.159 0.000 0.982 272 E HN 0.718 nan 8.360 nan 0.000 0.424 273 K N 1.080 121.229 120.400 -0.420 0.000 2.536 273 K HA 0.336 4.656 4.320 -0.000 0.000 0.269 273 K C 0.583 176.932 176.600 -0.419 0.000 0.965 273 K CA -0.820 55.180 56.287 -0.478 0.000 0.860 273 K CB 1.016 33.161 32.500 -0.592 0.000 1.423 273 K HN 0.263 nan 8.250 nan 0.000 0.438 274 M N 1.136 120.535 119.600 -0.335 0.000 2.358 274 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 274 M C 1.774 178.032 176.300 -0.071 0.000 1.064 274 M CA 1.980 57.096 55.300 -0.307 0.000 1.093 274 M CB -0.375 32.009 32.600 -0.359 0.000 1.401 274 M HN 0.850 nan 8.290 nan 0.000 0.440 275 S N -0.348 115.312 115.700 -0.067 0.000 2.469 275 S HA -0.148 4.321 4.470 -0.000 0.000 0.238 275 S C 1.429 176.244 174.600 0.358 0.000 0.998 275 S CA 0.800 59.119 58.200 0.197 0.000 0.957 275 S CB -0.656 62.592 63.200 0.080 0.000 0.764 275 S HN 0.443 nan 8.310 nan 0.000 0.514 276 Y N 1.485 121.870 120.300 0.143 0.000 2.561 276 Y HA 0.361 4.910 4.550 -0.000 0.000 0.291 276 Y C 1.706 177.775 175.900 0.281 0.000 1.141 276 Y CA -0.879 57.327 58.100 0.177 0.000 1.303 276 Y CB -0.783 37.797 38.460 0.199 0.000 1.015 276 Y HN 0.298 nan 8.280 nan 0.000 0.547 277 L N -0.182 121.166 121.223 0.209 0.000 2.610 277 L HA -0.075 4.265 4.340 -0.000 0.000 0.232 277 L C 2.341 179.071 176.870 -0.235 0.000 1.149 277 L CA 0.504 55.284 54.840 -0.099 0.000 0.872 277 L CB -0.312 41.436 42.059 -0.519 0.000 0.992 277 L HN 0.082 nan 8.230 nan 0.000 0.447 278 K N 1.792 121.885 120.400 -0.512 0.000 2.074 278 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 278 K C 1.256 177.550 176.600 -0.509 0.000 1.048 278 K CA 1.907 57.484 56.287 -1.184 0.000 0.926 278 K CB 0.017 31.928 32.500 -0.981 0.000 0.713 278 K HN 0.442 nan 8.250 nan 0.000 0.444 279 N N -0.214 118.387 118.700 -0.164 0.000 2.320 279 N HA -0.088 4.652 4.740 -0.000 0.000 0.237 279 N C -0.401 175.113 175.510 0.007 0.000 1.129 279 N CA -0.430 52.574 53.050 -0.077 0.000 0.854 279 N CB -0.619 37.846 38.487 -0.035 0.000 1.083 279 N HN 0.264 nan 8.380 nan 0.000 0.504 280 W N 1.427 122.479 121.300 -0.414 0.000 2.377 280 W HA 0.260 4.920 4.660 -0.001 0.000 0.341 280 W C 0.574 176.680 176.519 -0.688 0.000 1.240 280 W CA 2.030 58.882 57.345 -0.822 0.000 1.311 280 W CB 0.357 29.263 29.460 -0.923 0.000 1.175 280 W HN 0.458 nan 8.180 nan 0.000 0.571 281 G N 3.858 111.851 108.800 -1.344 0.000 2.358 281 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.198 281 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.198 281 G C 0.303 174.705 174.900 -0.830 0.000 1.220 281 G CA 0.070 44.453 45.100 -1.195 0.000 1.187 281 G HN 0.458 nan 8.290 nan 0.000 0.544 282 E N 0.658 120.671 120.200 -0.312 0.000 2.219 282 E HA 0.023 4.373 4.350 -0.000 0.000 0.198 282 E C 2.504 178.986 176.600 -0.196 0.000 0.998 282 E CA 1.844 58.167 56.400 -0.129 0.000 0.818 282 E CB -0.539 29.170 29.700 0.015 0.000 0.741 282 E HN 0.836 nan 8.360 nan 0.000 0.477 283 G N -0.521 108.158 108.800 -0.202 0.000 2.470 283 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 283 G C 0.448 175.218 174.900 -0.217 0.000 1.121 283 G CA 0.321 45.330 45.100 -0.152 0.000 0.766 283 G HN 0.260 nan 8.290 nan 0.000 0.553 284 W N -0.028 120.833 121.300 -0.730 0.000 3.330 284 W HA 0.453 5.113 4.660 -0.001 0.000 0.348 284 W C 1.593 177.711 176.519 -0.669 0.000 1.205 284 W CA -0.367 56.473 57.345 -0.841 0.000 1.841 284 W CB 0.038 28.623 29.460 -1.460 0.000 1.084 284 W HN 0.287 nan 8.180 nan 0.000 0.665 285 G N -0.569 108.078 108.800 -0.256 0.000 2.143 285 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.249 285 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.249 285 G C 0.075 175.076 174.900 0.167 0.000 0.981 285 G CA -0.483 44.594 45.100 -0.039 0.000 0.665 285 G HN -0.006 nan 8.290 nan 0.000 0.528 286 F N 0.450 120.354 119.950 -0.077 0.000 2.403 286 F HA 0.581 5.107 4.527 -0.000 0.000 0.320 286 F C 1.483 177.336 175.800 0.090 0.000 1.176 286 F CA -1.309 56.655 58.000 -0.060 0.000 1.206 286 F CB 0.286 39.093 39.000 -0.322 0.000 1.235 286 F HN 0.338 nan 8.300 nan 0.000 0.565 287 V N -0.367 119.788 119.914 0.401 0.000 3.237 287 V HA 0.296 4.415 4.120 -0.000 0.000 0.305 287 V C -2.473 173.799 176.094 0.296 0.000 1.096 287 V CA -1.867 60.661 62.300 0.380 0.000 1.130 287 V CB -0.366 31.718 31.823 0.435 0.000 1.048 287 V HN 0.516 nan 8.190 nan 0.000 0.484 288 P HA 0.055 nan 4.420 nan 0.000 0.265 288 P C 0.969 178.216 177.300 -0.090 0.000 1.187 288 P CA 0.650 63.753 63.100 0.004 0.000 0.766 288 P CB 0.638 32.244 31.700 -0.157 0.000 0.820 289 S N 2.313 117.939 115.700 -0.122 0.000 2.383 289 S HA -0.194 4.275 4.470 -0.000 0.000 0.229 289 S C 1.280 175.667 174.600 -0.356 0.000 1.030 289 S CA 1.913 59.823 58.200 -0.483 0.000 1.002 289 S CB -0.904 62.101 63.200 -0.326 0.000 0.829 289 S HN 0.628 nan 8.310 nan 0.000 0.467 290 D N -0.296 119.958 120.400 -0.244 0.000 2.378 290 D HA -0.022 4.618 4.640 -0.000 0.000 0.227 290 D C 1.243 177.411 176.300 -0.220 0.000 1.012 290 D CA 0.282 54.156 54.000 -0.210 0.000 0.905 290 D CB -0.238 40.440 40.800 -0.205 0.000 0.895 290 D HN 0.282 nan 8.370 nan 0.000 0.532 291 R N -0.175 120.163 120.500 -0.270 0.000 2.565 291 R HA 0.446 4.786 4.340 -0.000 0.000 0.347 291 R C -0.174 176.072 176.300 -0.090 0.000 1.010 291 R CA -0.223 55.735 56.100 -0.236 0.000 1.126 291 R CB 0.958 30.857 30.300 -0.668 0.000 1.331 291 R HN 0.166 nan 8.270 nan 0.000 0.552 292 A N 1.502 124.242 122.820 -0.133 0.000 2.304 292 A HA 0.530 4.850 4.320 -0.000 0.000 0.323 292 A C -0.649 176.894 177.584 -0.068 0.000 1.195 292 A CA -0.496 51.478 52.037 -0.105 0.000 0.826 292 A CB 1.061 19.907 19.000 -0.257 0.000 1.184 292 A HN 0.123 nan 8.150 nan 0.000 0.496 293 L N 5.280 126.496 121.223 -0.012 0.000 2.295 293 L HA 0.583 4.923 4.340 -0.000 0.000 0.281 293 L C -0.343 176.506 176.870 -0.035 0.000 1.018 293 L CA -0.292 54.550 54.840 0.004 0.000 0.841 293 L CB 0.692 42.738 42.059 -0.021 0.000 1.218 293 L HN 0.663 nan 8.230 nan 0.000 0.424 294 V N 3.210 123.015 119.914 -0.182 0.000 2.975 294 V HA 0.829 4.949 4.120 -0.000 0.000 0.318 294 V C -0.640 175.334 176.094 -0.201 0.000 1.077 294 V CA -0.596 61.412 62.300 -0.486 0.000 1.000 294 V CB 1.826 33.020 31.823 -1.048 0.000 1.066 294 V HN 0.694 nan 8.190 nan 0.000 0.452 295 F N -0.862 118.862 119.950 -0.377 0.000 2.744 295 F HA 0.718 5.244 4.527 -0.001 0.000 0.311 295 F C -0.027 175.770 175.800 -0.005 0.000 1.144 295 F CA -0.903 56.992 58.000 -0.175 0.000 0.938 295 F CB 0.645 39.550 39.000 -0.159 0.000 1.292 295 F HN 0.242 nan 8.300 nan 0.000 0.444 296 V N 0.128 120.154 119.914 0.187 0.000 2.346 296 V HA 0.030 4.150 4.120 -0.000 0.000 0.244 296 V C 0.165 176.418 176.094 0.266 0.000 1.037 296 V CA 2.050 64.452 62.300 0.170 0.000 1.029 296 V CB -0.553 31.325 31.823 0.091 0.000 0.663 296 V HN 0.919 nan 8.190 nan 0.000 0.454 297 D N -0.504 120.142 120.400 0.410 0.000 2.596 297 D HA 0.299 4.938 4.640 -0.000 0.000 0.234 297 D C -1.035 175.461 176.300 0.327 0.000 1.181 297 D CA -0.647 53.584 54.000 0.386 0.000 0.856 297 D CB 1.776 42.754 40.800 0.297 0.000 1.498 297 D HN 0.270 nan 8.370 nan 0.000 0.446 298 N N -1.533 117.259 118.700 0.154 0.000 2.577 298 N HA 0.101 4.841 4.740 -0.000 0.000 0.285 298 N C 1.206 176.598 175.510 -0.197 0.000 1.309 298 N CA -0.509 52.478 53.050 -0.105 0.000 0.798 298 N CB 0.497 38.748 38.487 -0.394 0.000 1.463 298 N HN 0.615 nan 8.380 nan 0.000 0.518 299 H N -1.047 117.826 119.070 -0.328 0.000 2.457 299 H HA -0.073 4.483 4.556 -0.000 0.000 0.297 299 H C -0.177 174.746 175.328 -0.676 0.000 1.092 299 H CA 1.367 56.935 56.048 -0.799 0.000 1.309 299 H CB 0.029 29.032 29.762 -1.264 0.000 1.382 299 H HN 0.509 nan 8.280 nan 0.000 0.535 300 D N 1.478 121.310 120.400 -0.947 0.000 2.154 300 D HA -0.120 4.520 4.640 -0.000 0.000 0.211 300 D C 1.932 178.164 176.300 -0.114 0.000 0.977 300 D CA 1.404 55.101 54.000 -0.505 0.000 0.869 300 D CB -0.199 40.373 40.800 -0.380 0.000 1.022 300 D HN 0.577 nan 8.370 nan 0.000 0.461 301 N N 1.105 119.798 118.700 -0.011 0.000 2.515 301 N HA -0.150 4.590 4.740 -0.000 0.000 0.185 301 N C 1.476 177.061 175.510 0.126 0.000 1.109 301 N CA 0.576 53.694 53.050 0.114 0.000 0.903 301 N CB -0.719 37.891 38.487 0.204 0.000 0.969 301 N HN 0.359 nan 8.380 nan 0.000 0.450 302 Q N 0.650 120.494 119.800 0.072 0.000 2.436 302 Q HA -0.054 4.286 4.340 -0.000 0.000 0.209 302 Q C 0.564 176.732 176.000 0.280 0.000 0.965 302 Q CA 0.667 56.562 55.803 0.152 0.000 0.910 302 Q CB -0.126 28.684 28.738 0.121 0.000 0.980 302 Q HN 0.573 nan 8.270 nan 0.000 0.491 303 R N -0.757 119.858 120.500 0.192 0.000 2.690 303 R HA 0.422 4.762 4.340 -0.000 0.000 0.419 303 R C 0.453 176.939 176.300 0.310 0.000 1.090 303 R CA -0.057 56.217 56.100 0.290 0.000 1.064 303 R CB 0.199 30.503 30.300 0.007 0.000 1.391 303 R HN 0.169 nan 8.270 nan 0.000 0.586 304 G N 1.194 110.144 108.800 0.252 0.000 2.258 304 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.274 304 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.274 304 G C 0.327 175.319 174.900 0.153 0.000 1.021 304 G CA 0.650 45.871 45.100 0.201 0.000 0.798 304 G HN 0.655 nan 8.290 nan 0.000 0.507 305 H N -0.554 118.586 119.070 0.117 0.000 2.586 305 H HA 0.351 4.907 4.556 0.000 0.000 0.273 305 H C 1.485 176.843 175.328 0.049 0.000 0.997 305 H CA 1.057 57.184 56.048 0.133 0.000 1.177 305 H CB 0.937 30.870 29.762 0.285 0.000 1.471 305 H HN 0.575 nan 8.280 nan 0.000 0.538 306 G N -0.364 108.497 108.800 0.101 0.000 3.135 306 G HA2 0.518 4.478 3.960 -0.000 0.000 0.278 306 G HA3 0.518 4.478 3.960 -0.000 0.000 0.278 306 G C -1.076 173.812 174.900 -0.020 0.000 1.302 306 G CA -0.151 44.952 45.100 0.005 0.000 0.880 306 G HN 0.222 nan 8.290 nan 0.000 0.574 307 A N -1.559 121.189 122.820 -0.121 0.000 2.388 307 A HA 0.633 4.953 4.320 -0.000 0.000 0.257 307 A C 1.187 178.847 177.584 0.127 0.000 1.095 307 A CA 1.222 53.208 52.037 -0.085 0.000 0.791 307 A CB 0.258 19.064 19.000 -0.324 0.000 1.029 307 A HN 2.494 nan 8.150 nan 0.000 0.489 308 G N 0.514 109.378 108.800 0.106 0.000 3.033 308 G HA2 0.391 4.351 3.960 -0.000 0.000 0.196 308 G HA3 0.391 4.351 3.960 -0.000 0.000 0.196 308 G C 1.545 176.518 174.900 0.121 0.000 1.078 308 G CA 0.815 45.997 45.100 0.137 0.000 0.805 308 G HN 2.897 nan 8.290 nan 0.000 0.472 309 G N 0.137 109.006 108.800 0.115 0.000 2.553 309 G HA2 0.245 4.205 3.960 -0.000 0.000 0.242 309 G HA3 0.245 4.205 3.960 -0.000 0.000 0.242 309 G C 1.193 176.192 174.900 0.165 0.000 1.277 309 G CA 1.931 47.109 45.100 0.130 0.000 0.910 309 G HN 1.941 nan 8.290 nan 0.000 0.576 310 A N -0.297 122.657 122.820 0.223 0.000 2.206 310 A HA 0.399 4.719 4.320 -0.000 0.000 0.211 310 A C 2.532 180.265 177.584 0.249 0.000 1.158 310 A CA 2.449 54.652 52.037 0.276 0.000 0.761 310 A CB -0.609 18.589 19.000 0.331 0.000 0.801 310 A HN 2.187 nan 8.150 nan 0.000 0.473 311 S N -0.376 115.405 115.700 0.135 0.000 2.470 311 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 311 S C 0.723 175.201 174.600 -0.204 0.000 1.006 311 S CA -0.179 57.837 58.200 -0.307 0.000 0.934 311 S CB -0.391 62.704 63.200 -0.175 0.000 0.778 311 S HN 0.239 nan 8.310 nan 0.000 0.517 312 I N 3.046 123.606 120.570 -0.017 0.000 2.741 312 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 312 I C 0.312 176.451 176.117 0.036 0.000 1.192 312 I CA -0.239 61.084 61.300 0.039 0.000 1.426 312 I CB -0.479 37.593 38.000 0.120 0.000 1.367 312 I HN 0.340 nan 8.210 nan 0.000 0.563 313 L N 6.984 128.249 121.223 0.070 0.000 2.312 313 L HA 0.440 4.780 4.340 -0.000 0.000 0.281 313 L C 0.663 177.661 176.870 0.213 0.000 1.070 313 L CA -0.232 54.690 54.840 0.136 0.000 0.805 313 L CB 1.525 43.686 42.059 0.171 0.000 1.174 313 L HN 0.784 nan 8.230 nan 0.000 0.434 314 T N -1.744 112.795 114.554 -0.024 0.000 2.804 314 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 314 T C 0.812 174.986 174.700 -0.875 0.000 1.099 314 T CA -0.631 61.176 62.100 -0.488 0.000 1.011 314 T CB 0.768 69.482 68.868 -0.257 0.000 1.291 314 T HN 0.425 nan 8.240 nan 0.000 0.523 315 F N -1.136 118.247 119.950 -0.947 0.000 2.307 315 F HA 0.126 4.653 4.527 -0.000 0.000 0.301 315 F C 1.674 177.381 175.800 -0.155 0.000 1.076 315 F CA 0.165 57.844 58.000 -0.535 0.000 1.383 315 F CB -1.018 37.700 39.000 -0.470 0.000 1.055 315 F HN 0.554 nan 8.300 nan 0.000 0.526 316 W N 1.531 122.381 121.300 -0.751 0.000 2.374 316 W HA -0.102 4.558 4.660 0.000 0.000 0.288 316 W C 0.826 177.270 176.519 -0.126 0.000 1.218 316 W CA 0.843 57.934 57.345 -0.424 0.000 1.245 316 W CB -0.186 28.959 29.460 -0.525 0.000 1.126 316 W HN -0.017 nan 8.180 nan 0.000 0.545 317 D N 0.060 120.527 120.400 0.111 0.000 3.071 317 D HA 0.237 4.877 4.640 -0.000 0.000 0.259 317 D C 1.525 177.960 176.300 0.225 0.000 1.331 317 D CA 0.331 54.416 54.000 0.141 0.000 0.861 317 D CB -0.018 40.845 40.800 0.104 0.000 1.059 317 D HN 0.026 nan 8.370 nan 0.000 0.486 318 A N 1.371 124.351 122.820 0.266 0.000 1.893 318 A HA -0.355 3.965 4.320 -0.000 0.000 0.222 318 A C 2.198 179.985 177.584 0.337 0.000 1.309 318 A CA 1.969 54.233 52.037 0.378 0.000 0.681 318 A CB -0.484 18.623 19.000 0.179 0.000 0.842 318 A HN 0.333 nan 8.150 nan 0.000 0.468 319 R N -0.682 119.938 120.500 0.199 0.000 2.082 319 R HA -0.093 4.247 4.340 -0.000 0.000 0.234 319 R C 2.202 178.607 176.300 0.174 0.000 1.136 319 R CA 1.971 58.172 56.100 0.169 0.000 0.935 319 R CB -0.463 29.901 30.300 0.106 0.000 0.842 319 R HN 0.562 nan 8.270 nan 0.000 0.430 320 L N -0.552 120.750 121.223 0.131 0.000 2.141 320 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 320 L C 2.320 179.247 176.870 0.095 0.000 1.094 320 L CA 0.985 55.862 54.840 0.062 0.000 0.763 320 L CB -0.529 41.537 42.059 0.013 0.000 0.908 320 L HN 0.330 nan 8.230 nan 0.000 0.437 321 Y N 1.263 121.609 120.300 0.076 0.000 2.145 321 Y HA -0.262 4.287 4.550 -0.000 0.000 0.286 321 Y C 2.551 178.527 175.900 0.127 0.000 1.145 321 Y CA 1.572 59.734 58.100 0.103 0.000 1.148 321 Y CB -0.107 38.467 38.460 0.191 0.000 0.981 321 Y HN -0.013 nan 8.280 nan 0.000 0.507 322 K N -0.535 120.010 120.400 0.241 0.000 2.097 322 K HA -0.231 4.089 4.320 -0.000 0.000 0.206 322 K C 2.240 178.809 176.600 -0.052 0.000 1.049 322 K CA 1.809 58.225 56.287 0.215 0.000 0.933 322 K CB -0.249 32.524 32.500 0.456 0.000 0.717 322 K HN 0.392 nan 8.250 nan 0.000 0.442 323 M N 0.218 119.707 119.600 -0.185 0.000 2.132 323 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 323 M C 2.091 178.154 176.300 -0.395 0.000 1.065 323 M CA 1.546 56.517 55.300 -0.548 0.000 1.122 323 M CB -0.022 32.396 32.600 -0.303 0.000 1.365 323 M HN 0.181 nan 8.290 nan 0.000 0.411 324 A N -0.648 121.995 122.820 -0.296 0.000 1.877 324 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 324 A C 2.036 179.505 177.584 -0.193 0.000 1.186 324 A CA 1.915 53.784 52.037 -0.280 0.000 0.620 324 A CB -1.171 17.688 19.000 -0.235 0.000 0.822 324 A HN 0.377 nan 8.150 nan 0.000 0.443 325 V N -0.011 119.741 119.914 -0.270 0.000 2.407 325 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 325 V C 2.783 178.841 176.094 -0.060 0.000 1.055 325 V CA 1.887 64.070 62.300 -0.194 0.000 1.049 325 V CB -1.439 30.195 31.823 -0.315 0.000 0.662 325 V HN 0.626 nan 8.190 nan 0.000 0.455 326 G N -0.898 107.856 108.800 -0.077 0.000 2.421 326 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.216 326 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.216 326 G C 1.574 176.532 174.900 0.098 0.000 1.171 326 G CA 0.969 46.071 45.100 0.003 0.000 0.775 326 G HN 0.480 nan 8.290 nan 0.000 0.543 327 F N 0.934 120.853 119.950 -0.051 0.000 2.134 327 F HA -0.034 4.493 4.527 -0.000 0.000 0.299 327 F C 2.656 178.512 175.800 0.093 0.000 1.097 327 F CA 2.095 60.064 58.000 -0.052 0.000 1.264 327 F CB -0.086 38.560 39.000 -0.589 0.000 1.001 327 F HN 0.166 nan 8.300 nan 0.000 0.479 328 M N -0.072 119.663 119.600 0.224 0.000 2.080 328 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 328 M C 1.975 178.375 176.300 0.165 0.000 1.068 328 M CA 1.946 57.429 55.300 0.305 0.000 1.109 328 M CB -0.461 32.310 32.600 0.285 0.000 1.342 328 M HN 0.288 nan 8.290 nan 0.000 0.405 329 L N 0.027 121.294 121.223 0.074 0.000 2.201 329 L HA -0.101 4.238 4.340 -0.000 0.000 0.212 329 L C 2.599 179.523 176.870 0.090 0.000 1.105 329 L CA 0.877 55.741 54.840 0.039 0.000 0.775 329 L CB -0.719 41.341 42.059 0.001 0.000 0.913 329 L HN 0.447 nan 8.230 nan 0.000 0.440 330 A N -2.127 120.725 122.820 0.054 0.000 1.984 330 A HA -0.075 4.245 4.320 -0.000 0.000 0.214 330 A C 1.184 179.005 177.584 0.394 0.000 1.173 330 A CA 0.206 52.323 52.037 0.134 0.000 0.673 330 A CB -0.337 18.542 19.000 -0.202 0.000 0.830 330 A HN 0.288 nan 8.150 nan 0.000 0.453 331 H N 1.043 120.216 119.070 0.171 0.000 2.722 331 H HA 0.164 4.720 4.556 -0.000 0.000 0.328 331 H C -1.669 173.747 175.328 0.146 0.000 1.067 331 H CA -1.411 54.688 56.048 0.085 0.000 1.447 331 H CB 1.463 31.127 29.762 -0.163 0.000 1.469 331 H HN 0.109 nan 8.280 nan 0.000 0.544 332 P HA -0.168 nan 4.420 nan 0.000 0.225 332 P C 0.305 177.689 177.300 0.139 0.000 1.148 332 P CA 0.699 63.812 63.100 0.022 0.000 0.779 332 P CB -0.209 31.455 31.700 -0.059 0.000 0.780 333 Y N 2.247 122.713 120.300 0.277 0.000 2.632 333 Y HA 0.310 4.860 4.550 -0.000 0.000 0.329 333 Y C 1.287 177.235 175.900 0.080 0.000 1.174 333 Y CA 1.214 59.431 58.100 0.195 0.000 1.469 333 Y CB -0.358 38.238 38.460 0.227 0.000 1.242 333 Y HN 0.302 nan 8.280 nan 0.000 0.540 334 G N 4.703 113.096 108.800 -0.679 0.000 2.894 334 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.247 334 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.247 334 G C -1.217 173.578 174.900 -0.175 0.000 1.442 334 G CA -0.215 44.571 45.100 -0.525 0.000 0.897 334 G HN 0.919 nan 8.290 nan 0.000 0.550 335 F N 2.052 121.847 119.950 -0.259 0.000 2.405 335 F HA 0.609 5.136 4.527 -0.000 0.000 0.355 335 F C 1.263 176.946 175.800 -0.194 0.000 1.121 335 F CA 0.059 57.941 58.000 -0.197 0.000 1.112 335 F CB 1.236 40.129 39.000 -0.180 0.000 1.126 335 F HN 0.789 nan 8.300 nan 0.000 0.481 336 T N 4.210 118.330 114.554 -0.722 0.000 2.856 336 T HA 0.402 4.752 4.350 -0.000 0.000 0.292 336 T C -0.306 174.108 174.700 -0.476 0.000 0.980 336 T CA -0.888 60.922 62.100 -0.483 0.000 1.091 336 T CB 1.328 69.986 68.868 -0.351 0.000 0.936 336 T HN 0.773 nan 8.240 nan 0.000 0.503 337 R N 2.368 122.742 120.500 -0.211 0.000 2.439 337 R HA 0.580 4.920 4.340 -0.000 0.000 0.310 337 R C -1.482 174.812 176.300 -0.009 0.000 0.955 337 R CA -0.693 55.340 56.100 -0.113 0.000 0.853 337 R CB 1.371 31.611 30.300 -0.101 0.000 1.171 337 R HN 0.597 nan 8.270 nan 0.000 0.449 338 V N 5.594 125.521 119.914 0.022 0.000 2.481 338 V HA 0.294 4.414 4.120 -0.000 0.000 0.286 338 V C 0.268 176.424 176.094 0.102 0.000 1.042 338 V CA -0.643 61.706 62.300 0.082 0.000 0.928 338 V CB 1.508 33.414 31.823 0.138 0.000 0.986 338 V HN 0.795 nan 8.190 nan 0.000 0.462 339 M N 4.275 123.956 119.600 0.136 0.000 2.249 339 M HA 0.454 4.934 4.480 -0.000 0.000 0.351 339 M C -0.136 176.203 176.300 0.065 0.000 1.180 339 M CA 0.708 56.082 55.300 0.124 0.000 1.127 339 M CB 1.395 34.102 32.600 0.177 0.000 1.546 339 M HN 0.597 nan 8.290 nan 0.000 0.461 340 S N 2.739 118.441 115.700 0.002 0.000 2.756 340 S HA 0.795 5.265 4.470 -0.000 0.000 0.303 340 S C -1.235 173.420 174.600 0.091 0.000 1.135 340 S CA -0.609 57.596 58.200 0.008 0.000 1.066 340 S CB 0.568 63.694 63.200 -0.123 0.000 1.008 340 S HN 0.850 nan 8.310 nan 0.000 0.482 341 S N 2.935 118.679 115.700 0.074 0.000 2.806 341 S HA 0.798 5.268 4.470 -0.000 0.000 0.315 341 S C -1.333 173.371 174.600 0.174 0.000 1.127 341 S CA -0.822 57.455 58.200 0.128 0.000 0.918 341 S CB 0.653 63.848 63.200 -0.008 0.000 1.240 341 S HN 0.764 nan 8.310 nan 0.000 0.552 342 Y N -0.802 119.593 120.300 0.159 0.000 2.524 342 Y HA 0.767 5.317 4.550 -0.000 0.000 0.344 342 Y C -0.285 175.623 175.900 0.013 0.000 1.012 342 Y CA -1.383 56.693 58.100 -0.041 0.000 1.068 342 Y CB 0.741 39.029 38.460 -0.287 0.000 1.249 342 Y HN 0.414 nan 8.280 nan 0.000 0.468 343 R N 1.551 122.130 120.500 0.132 0.000 2.490 343 R HA 0.397 4.737 4.340 -0.000 0.000 0.278 343 R C -1.472 175.158 176.300 0.549 0.000 1.069 343 R CA -0.286 55.932 56.100 0.198 0.000 1.080 343 R CB 0.816 31.121 30.300 0.009 0.000 1.030 343 R HN 0.966 nan 8.270 nan 0.000 0.491 344 W N 2.210 123.762 121.300 0.421 0.000 3.083 344 W HA 0.455 5.114 4.660 -0.001 0.000 0.333 344 W C -2.610 174.069 176.519 0.266 0.000 1.217 344 W CA -2.483 55.039 57.345 0.295 0.000 1.170 344 W CB 0.392 30.020 29.460 0.281 0.000 1.437 344 W HN 0.322 nan 8.180 nan 0.000 0.557 345 P HA 0.100 nan 4.420 nan 0.000 0.256 345 P C -0.187 177.062 177.300 -0.084 0.000 1.688 345 P CA 0.074 63.193 63.100 0.032 0.000 1.162 345 P CB 0.222 31.957 31.700 0.058 0.000 1.870 346 R N 2.437 122.677 120.500 -0.432 0.000 2.480 346 R HA 0.052 4.392 4.340 -0.000 0.000 0.303 346 R C 0.513 176.594 176.300 -0.365 0.000 0.985 346 R CA 0.495 56.260 56.100 -0.558 0.000 1.051 346 R CB 0.344 29.991 30.300 -1.090 0.000 0.935 346 R HN 0.497 nan 8.270 nan 0.000 0.410 347 Q N 4.253 123.879 119.800 -0.290 0.000 2.464 347 Q HA 0.194 4.534 4.340 -0.000 0.000 0.256 347 Q C -1.325 174.573 176.000 -0.170 0.000 1.020 347 Q CA -0.518 55.197 55.803 -0.148 0.000 0.716 347 Q CB 0.732 29.457 28.738 -0.022 0.000 1.230 347 Q HN 0.369 nan 8.270 nan 0.000 0.494 348 F N 2.031 121.967 119.950 -0.023 0.000 2.438 348 F HA 0.244 4.770 4.527 -0.001 0.000 0.356 348 F C 0.477 176.286 175.800 0.015 0.000 1.099 348 F CA 0.250 58.247 58.000 -0.005 0.000 1.185 348 F CB 1.008 39.982 39.000 -0.043 0.000 1.115 348 F HN 0.303 nan 8.300 nan 0.000 0.526 349 Q N 2.973 122.913 119.800 0.233 0.000 2.294 349 Q HA 0.258 4.598 4.340 -0.000 0.000 0.264 349 Q C -0.555 175.528 176.000 0.138 0.000 0.992 349 Q CA -0.777 55.116 55.803 0.149 0.000 0.747 349 Q CB 1.496 30.301 28.738 0.111 0.000 1.262 349 Q HN 0.614 nan 8.270 nan 0.000 0.452 350 N N 1.478 120.239 118.700 0.102 0.000 2.747 350 N HA -0.230 4.509 4.740 -0.000 0.000 0.249 350 N C 0.558 176.121 175.510 0.087 0.000 1.107 350 N CA 1.565 54.660 53.050 0.074 0.000 0.707 350 N CB -1.137 37.388 38.487 0.064 0.000 1.054 350 N HN 1.122 nan 8.380 nan 0.000 0.555 351 G N -0.819 108.049 108.800 0.114 0.000 2.199 351 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.254 351 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.254 351 G C -0.131 174.941 174.900 0.286 0.000 0.982 351 G CA 0.626 45.792 45.100 0.111 0.000 0.632 351 G HN 0.994 nan 8.290 nan 0.000 0.529 352 N N -0.219 118.673 118.700 0.321 0.000 2.321 352 N HA 0.492 5.231 4.740 -0.000 0.000 0.299 352 N C -1.031 174.606 175.510 0.211 0.000 1.048 352 N CA -0.486 52.744 53.050 0.300 0.000 0.836 352 N CB 1.923 40.512 38.487 0.169 0.000 1.269 352 N HN -0.003 nan 8.380 nan 0.000 0.486 353 D N 2.409 122.811 120.400 0.002 0.000 2.344 353 D HA -0.001 4.638 4.640 -0.000 0.000 0.253 353 D C 1.262 177.580 176.300 0.029 0.000 1.255 353 D CA -0.696 53.129 54.000 -0.290 0.000 0.894 353 D CB 1.017 41.549 40.800 -0.446 0.000 1.067 353 D HN 0.478 nan 8.370 nan 0.000 0.492 354 V N 1.740 121.695 119.914 0.068 0.000 3.305 354 V HA 0.030 4.149 4.120 -0.000 0.000 0.269 354 V C 0.800 177.075 176.094 0.302 0.000 1.157 354 V CA 0.755 63.178 62.300 0.205 0.000 1.157 354 V CB -0.522 31.414 31.823 0.188 0.000 0.772 354 V HN 0.358 nan 8.190 nan 0.000 0.498 355 N N 1.666 120.448 118.700 0.136 0.000 2.273 355 N HA 0.074 4.814 4.740 -0.000 0.000 0.231 355 N C 0.892 176.302 175.510 -0.166 0.000 1.134 355 N CA 0.716 53.704 53.050 -0.104 0.000 0.856 355 N CB 0.177 38.651 38.487 -0.021 0.000 1.068 355 N HN 0.794 nan 8.380 nan 0.000 0.510 356 D N -0.475 120.000 120.400 0.125 0.000 2.378 356 D HA -0.134 4.506 4.640 -0.000 0.000 0.227 356 D C 1.444 177.951 176.300 0.344 0.000 1.012 356 D CA 0.168 54.280 54.000 0.186 0.000 0.905 356 D CB -0.444 40.605 40.800 0.415 0.000 0.895 356 D HN 0.502 nan 8.370 nan 0.000 0.532 357 W N 0.433 121.958 121.300 0.376 0.000 2.872 357 W HA 0.298 4.958 4.660 -0.001 0.000 0.266 357 W C -0.212 176.390 176.519 0.139 0.000 1.276 357 W CA -0.608 56.945 57.345 0.346 0.000 1.471 357 W CB -0.630 29.049 29.460 0.364 0.000 1.071 357 W HN -0.305 nan 8.180 nan 0.000 0.619 358 V N 3.553 123.072 119.914 -0.659 0.000 2.625 358 V HA 0.076 4.196 4.120 -0.000 0.000 0.305 358 V C 1.458 177.568 176.094 0.027 0.000 1.055 358 V CA 1.120 63.074 62.300 -0.577 0.000 1.209 358 V CB -0.500 31.007 31.823 -0.528 0.000 0.877 358 V HN 0.187 nan 8.190 nan 0.000 0.489 359 G N 6.829 115.633 108.800 0.007 0.000 2.553 359 G HA2 0.463 4.423 3.960 -0.000 0.000 0.278 359 G HA3 0.463 4.423 3.960 -0.000 0.000 0.278 359 G C -2.330 172.261 174.900 -0.515 0.000 1.349 359 G CA -0.998 44.067 45.100 -0.057 0.000 1.037 359 G HN 0.644 nan 8.290 nan 0.000 0.508 360 P HA 0.179 nan 4.420 nan 0.000 0.271 360 P C -2.642 174.101 177.300 -0.928 0.000 1.233 360 P CA -1.028 61.155 63.100 -1.529 0.000 0.789 360 P CB -0.191 30.999 31.700 -0.850 0.000 0.951 361 P HA 0.036 nan 4.420 nan 0.000 0.262 361 P C -0.346 176.726 177.300 -0.380 0.000 1.182 361 P CA 0.774 63.488 63.100 -0.643 0.000 0.761 361 P CB -0.237 30.939 31.700 -0.873 0.000 0.795 362 N N 0.691 119.267 118.700 -0.206 0.000 2.823 362 N HA 0.362 5.102 4.740 -0.000 0.000 0.251 362 N C -1.636 173.858 175.510 -0.027 0.000 1.392 362 N CA -1.052 51.942 53.050 -0.094 0.000 0.864 362 N CB 1.103 39.557 38.487 -0.055 0.000 1.481 362 N HN 0.072 nan 8.380 nan 0.000 0.508 363 N N 0.427 119.129 118.700 0.005 0.000 2.524 363 N HA 0.391 5.131 4.740 -0.000 0.000 0.261 363 N C -1.043 174.506 175.510 0.065 0.000 0.998 363 N CA -0.830 52.232 53.050 0.020 0.000 0.915 363 N CB 0.757 39.246 38.487 0.004 0.000 1.187 363 N HN 0.603 nan 8.380 nan 0.000 0.507 364 N N 1.943 120.698 118.700 0.091 0.000 2.725 364 N HA -0.239 4.501 4.740 -0.000 0.000 0.249 364 N C 0.764 176.474 175.510 0.334 0.000 1.103 364 N CA 1.018 54.161 53.050 0.154 0.000 0.707 364 N CB -0.946 37.593 38.487 0.088 0.000 1.043 364 N HN 0.993 nan 8.380 nan 0.000 0.553 365 G N -1.977 107.055 108.800 0.388 0.000 2.213 365 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.236 365 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.236 365 G C 0.009 174.917 174.900 0.014 0.000 0.991 365 G CA 0.192 45.403 45.100 0.184 0.000 0.629 365 G HN 0.391 nan 8.290 nan 0.000 0.517 366 V N 3.082 123.016 119.914 0.034 0.000 2.385 366 V HA 0.419 4.539 4.120 -0.000 0.000 0.269 366 V C 1.293 177.363 176.094 -0.040 0.000 1.043 366 V CA -0.696 61.594 62.300 -0.015 0.000 0.906 366 V CB 1.172 32.995 31.823 0.001 0.000 0.995 366 V HN 0.347 nan 8.190 nan 0.000 0.467 367 I N 5.090 125.617 120.570 -0.072 0.000 2.826 367 I HA -0.010 4.159 4.170 -0.000 0.000 0.295 367 I C 0.928 177.039 176.117 -0.011 0.000 1.213 367 I CA 0.384 61.647 61.300 -0.062 0.000 1.436 367 I CB 0.127 38.090 38.000 -0.062 0.000 1.348 367 I HN 0.586 nan 8.210 nan 0.000 0.570 368 K N 6.330 126.742 120.400 0.020 0.000 2.237 368 K HA 0.157 4.477 4.320 -0.000 0.000 0.270 368 K C 0.005 176.698 176.600 0.154 0.000 1.015 368 K CA -0.506 55.818 56.287 0.062 0.000 0.949 368 K CB 0.607 33.117 32.500 0.018 0.000 0.976 368 K HN 0.534 nan 8.250 nan 0.000 0.472 369 E N 0.557 120.782 120.200 0.042 0.000 2.392 369 E HA 0.117 4.467 4.350 -0.000 0.000 0.259 369 E C -0.631 175.901 176.600 -0.113 0.000 1.108 369 E CA -0.762 55.590 56.400 -0.080 0.000 0.916 369 E CB 0.513 30.164 29.700 -0.083 0.000 0.989 369 E HN 0.057 nan 8.360 nan 0.000 0.432 370 V N 2.568 122.186 119.914 -0.492 0.000 2.372 370 V HA 0.116 4.236 4.120 -0.000 0.000 0.261 370 V C 0.282 176.207 176.094 -0.282 0.000 1.055 370 V CA -0.416 61.477 62.300 -0.678 0.000 0.930 370 V CB 0.148 31.117 31.823 -1.424 0.000 1.031 370 V HN 0.802 nan 8.190 nan 0.000 0.479 371 T N 4.033 118.529 114.554 -0.096 0.000 2.909 371 T HA 0.662 5.011 4.350 -0.000 0.000 0.286 371 T C -0.416 174.266 174.700 -0.031 0.000 1.002 371 T CA -0.729 61.344 62.100 -0.045 0.000 1.074 371 T CB 1.495 70.362 68.868 -0.000 0.000 0.984 371 T HN 0.224 nan 8.240 nan 0.000 0.495 372 I N 3.136 123.694 120.570 -0.020 0.000 2.339 372 I HA 0.342 4.512 4.170 -0.000 0.000 0.290 372 I C 0.192 176.315 176.117 0.011 0.000 0.994 372 I CA -1.096 60.201 61.300 -0.005 0.000 1.191 372 I CB 0.957 38.958 38.000 0.003 0.000 1.343 372 I HN 0.674 nan 8.210 nan 0.000 0.458 373 N N 8.510 127.219 118.700 0.016 0.000 2.483 373 N HA 0.254 4.994 4.740 -0.000 0.000 0.269 373 N C -1.479 174.046 175.510 0.025 0.000 1.209 373 N CA -1.315 51.748 53.050 0.020 0.000 0.969 373 N CB 0.671 39.171 38.487 0.022 0.000 1.173 373 N HN 0.336 nan 8.380 nan 0.000 0.475 374 P HA -0.151 nan 4.420 nan 0.000 0.218 374 P C 0.266 177.587 177.300 0.034 0.000 1.146 374 P CA 1.375 64.491 63.100 0.028 0.000 0.813 374 P CB 0.166 31.879 31.700 0.022 0.000 0.778 375 D N -1.345 119.073 120.400 0.031 0.000 2.328 375 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 375 D C 0.686 177.017 176.300 0.052 0.000 1.066 375 D CA 1.211 55.233 54.000 0.036 0.000 0.861 375 D CB -0.763 40.050 40.800 0.023 0.000 0.912 375 D HN 0.275 nan 8.370 nan 0.000 0.521 376 T N -2.946 111.640 114.554 0.054 0.000 6.412 376 T HA -0.260 4.090 4.350 -0.000 0.000 0.279 376 T C 0.615 175.324 174.700 0.016 0.000 2.177 376 T CA 1.605 63.741 62.100 0.060 0.000 3.599 376 T CB -2.872 66.075 68.868 0.132 0.000 1.259 376 T HN 0.496 nan 8.240 nan 0.000 1.146 377 T N -1.032 113.539 114.554 0.029 0.000 2.770 377 T HA 0.653 5.003 4.350 -0.000 0.000 0.281 377 T C 0.866 175.582 174.700 0.027 0.000 0.981 377 T CA -0.247 61.876 62.100 0.038 0.000 0.955 377 T CB 1.234 70.133 68.868 0.053 0.000 1.060 377 T HN 0.617 nan 8.240 nan 0.000 0.531 378 c N 0.145 118.780 118.600 0.058 0.000 2.399 378 c HA 0.904 5.474 4.570 -0.000 0.000 0.348 378 c C 1.250 175.393 174.090 0.088 0.000 1.183 378 c CA -0.267 56.102 56.329 0.067 0.000 2.023 378 c CB 0.902 43.480 42.510 0.114 0.000 2.361 378 c HN 1.196 nan 8.230 nan 0.000 0.521 379 G N 0.301 109.155 108.800 0.090 0.000 3.075 379 G HA2 0.491 4.451 3.960 -0.000 0.000 0.253 379 G HA3 0.491 4.451 3.960 -0.000 0.000 0.253 379 G C -0.149 174.824 174.900 0.122 0.000 1.353 379 G CA -0.202 44.945 45.100 0.078 0.000 1.051 379 G HN 0.718 nan 8.290 nan 0.000 0.553 380 N N 0.129 118.856 118.700 0.045 0.000 2.741 380 N HA -0.146 4.593 4.740 -0.000 0.000 0.250 380 N C 0.059 175.435 175.510 -0.224 0.000 1.115 380 N CA 1.313 54.349 53.050 -0.024 0.000 0.724 380 N CB -0.603 37.941 38.487 0.094 0.000 1.090 380 N HN 0.678 nan 8.380 nan 0.000 0.558 381 D N -4.005 116.309 120.400 -0.143 0.000 3.070 381 D HA -0.224 4.415 4.640 -0.000 0.000 0.210 381 D C -0.502 175.657 176.300 -0.236 0.000 1.103 381 D CA 1.039 54.923 54.000 -0.193 0.000 0.980 381 D CB -1.446 39.209 40.800 -0.241 0.000 1.100 381 D HN 0.529 nan 8.370 nan 0.000 0.423 382 W N 0.492 121.766 121.300 -0.043 0.000 2.322 382 W HA 0.363 5.023 4.660 -0.000 0.000 0.307 382 W C 1.730 178.230 176.519 -0.032 0.000 1.220 382 W CA -0.933 56.400 57.345 -0.020 0.000 1.210 382 W CB 0.780 30.183 29.460 -0.095 0.000 1.223 382 W HN -0.277 nan 8.180 nan 0.000 0.511 383 V N 2.381 122.356 119.914 0.102 0.000 2.379 383 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 383 V C 1.247 177.381 176.094 0.067 0.000 1.044 383 V CA 0.598 62.851 62.300 -0.078 0.000 1.036 383 V CB -0.876 30.580 31.823 -0.611 0.000 0.664 383 V HN 0.866 nan 8.190 nan 0.000 0.453 384 c N 1.176 119.847 118.600 0.118 0.000 3.896 384 c HA -0.155 4.415 4.570 -0.000 0.000 0.300 384 c C 1.667 175.577 174.090 -0.299 0.000 1.322 384 c CA 0.503 56.858 56.329 0.043 0.000 2.130 384 c CB -2.479 40.038 42.510 0.011 0.000 1.363 384 c HN 0.685 nan 8.230 nan 0.000 0.642 385 E N 0.417 120.326 120.200 -0.485 0.000 2.160 385 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 385 E C 1.954 178.267 176.600 -0.478 0.000 0.991 385 E CA 1.662 57.398 56.400 -1.106 0.000 0.810 385 E CB -0.156 29.094 29.700 -0.751 0.000 0.742 385 E HN 0.973 nan 8.360 nan 0.000 0.466 386 H N -0.144 118.803 119.070 -0.205 0.000 2.545 386 H HA 0.078 4.634 4.556 -0.000 0.000 0.282 386 H C 1.347 176.752 175.328 0.128 0.000 1.020 386 H CA 0.908 56.973 56.048 0.029 0.000 1.243 386 H CB -0.009 29.692 29.762 -0.101 0.000 1.377 386 H HN 0.079 nan 8.280 nan 0.000 0.581 387 R N -0.615 119.611 120.500 -0.457 0.000 2.312 387 R HA 0.053 4.393 4.340 -0.000 0.000 0.205 387 R C -0.221 176.209 176.300 0.216 0.000 0.904 387 R CA -0.441 55.498 56.100 -0.268 0.000 1.052 387 R CB 0.271 30.228 30.300 -0.571 0.000 1.014 387 R HN 0.105 nan 8.270 nan 0.000 0.503 388 W N 1.959 123.279 121.300 0.033 0.000 2.308 388 W HA 0.097 4.756 4.660 -0.001 0.000 0.324 388 W C 1.565 178.161 176.519 0.129 0.000 1.387 388 W CA -0.888 56.509 57.345 0.087 0.000 1.250 388 W CB -0.003 29.530 29.460 0.122 0.000 1.257 388 W HN 0.093 nan 8.180 nan 0.000 0.554 389 R N 1.865 122.544 120.500 0.297 0.000 2.113 389 R HA -0.306 4.034 4.340 -0.000 0.000 0.244 389 R C 1.639 178.064 176.300 0.207 0.000 1.142 389 R CA 2.470 58.699 56.100 0.214 0.000 0.953 389 R CB 0.013 30.385 30.300 0.120 0.000 0.860 389 R HN 0.492 nan 8.270 nan 0.000 0.438 390 Q N -0.026 119.905 119.800 0.218 0.000 2.170 390 Q HA -0.069 4.270 4.340 -0.000 0.000 0.203 390 Q C 1.959 178.119 176.000 0.266 0.000 0.976 390 Q CA 1.630 57.552 55.803 0.199 0.000 0.858 390 Q CB 0.010 28.889 28.738 0.235 0.000 0.907 390 Q HN 0.483 nan 8.270 nan 0.000 0.433 391 I N -0.505 120.260 120.570 0.324 0.000 2.429 391 I HA -0.106 4.064 4.170 -0.000 0.000 0.247 391 I C 2.464 178.720 176.117 0.233 0.000 1.099 391 I CA 0.340 61.796 61.300 0.260 0.000 1.422 391 I CB -0.210 37.938 38.000 0.247 0.000 1.112 391 I HN 0.135 nan 8.210 nan 0.000 0.430 392 R N 1.598 122.282 120.500 0.306 0.000 2.091 392 R HA -0.201 4.139 4.340 -0.000 0.000 0.238 392 R C 1.731 178.133 176.300 0.171 0.000 1.136 392 R CA 1.906 58.203 56.100 0.328 0.000 0.959 392 R CB -0.412 30.159 30.300 0.452 0.000 0.856 392 R HN 0.314 nan 8.270 nan 0.000 0.437 393 N N 0.027 118.832 118.700 0.175 0.000 2.381 393 N HA -0.091 4.649 4.740 -0.000 0.000 0.182 393 N C 1.521 177.128 175.510 0.161 0.000 1.025 393 N CA 0.974 54.119 53.050 0.157 0.000 0.888 393 N CB -0.075 38.504 38.487 0.152 0.000 0.965 393 N HN 0.221 nan 8.380 nan 0.000 0.438 394 M N -0.308 119.368 119.600 0.127 0.000 2.388 394 M HA 0.074 4.554 4.480 -0.000 0.000 0.265 394 M C 1.806 178.141 176.300 0.059 0.000 1.088 394 M CA 0.373 55.731 55.300 0.097 0.000 1.134 394 M CB -0.535 32.102 32.600 0.062 0.000 1.384 394 M HN -0.118 nan 8.290 nan 0.000 0.447 395 V N 0.528 120.424 119.914 -0.031 0.000 2.407 395 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 395 V C 2.283 178.266 176.094 -0.185 0.000 1.055 395 V CA 1.460 63.639 62.300 -0.202 0.000 1.049 395 V CB -0.454 31.055 31.823 -0.524 0.000 0.662 395 V HN 0.348 nan 8.190 nan 0.000 0.455 396 I N -1.135 119.368 120.570 -0.112 0.000 2.353 396 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 396 I C 2.265 178.286 176.117 -0.160 0.000 1.119 396 I CA 1.400 62.627 61.300 -0.121 0.000 1.417 396 I CB -0.385 37.583 38.000 -0.053 0.000 1.078 396 I HN 0.319 nan 8.210 nan 0.000 0.421 397 F N 2.022 121.829 119.950 -0.237 0.000 2.095 397 F HA -0.268 4.259 4.527 -0.000 0.000 0.298 397 F C 2.702 178.386 175.800 -0.194 0.000 1.104 397 F CA 1.781 59.614 58.000 -0.277 0.000 1.232 397 F CB -0.339 38.640 39.000 -0.036 0.000 0.987 397 F HN -0.154 nan 8.300 nan 0.000 0.475 398 R N 0.211 120.837 120.500 0.209 0.000 2.096 398 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 398 R C 2.026 178.291 176.300 -0.059 0.000 1.127 398 R CA 1.748 57.911 56.100 0.104 0.000 0.968 398 R CB -0.354 29.966 30.300 0.033 0.000 0.861 398 R HN 0.292 nan 8.270 nan 0.000 0.440 399 N N -0.078 118.552 118.700 -0.117 0.000 2.084 399 N HA -0.130 4.610 4.740 -0.000 0.000 0.190 399 N C 1.732 177.148 175.510 -0.157 0.000 1.030 399 N CA 1.343 54.316 53.050 -0.128 0.000 0.849 399 N CB -0.359 38.046 38.487 -0.137 0.000 1.012 399 N HN 0.029 nan 8.380 nan 0.000 0.423 400 V N 0.950 120.711 119.914 -0.255 0.000 2.490 400 V HA -0.126 3.993 4.120 -0.000 0.000 0.250 400 V C 2.032 177.980 176.094 -0.243 0.000 1.061 400 V CA 1.508 63.639 62.300 -0.283 0.000 1.064 400 V CB -0.489 31.037 31.823 -0.495 0.000 0.670 400 V HN 0.322 nan 8.190 nan 0.000 0.461 401 V N -2.345 117.399 119.914 -0.285 0.000 3.596 401 V HA 0.268 4.388 4.120 -0.000 0.000 0.289 401 V C 0.613 176.658 176.094 -0.081 0.000 1.336 401 V CA -0.282 61.898 62.300 -0.201 0.000 1.137 401 V CB -0.317 31.335 31.823 -0.285 0.000 0.966 401 V HN 0.435 nan 8.190 nan 0.000 0.428 402 D N 1.727 122.084 120.400 -0.072 0.000 2.586 402 D HA 0.336 4.976 4.640 -0.000 0.000 0.234 402 D C 1.511 177.801 176.300 -0.017 0.000 1.132 402 D CA 2.216 56.197 54.000 -0.032 0.000 0.860 402 D CB 0.391 41.170 40.800 -0.036 0.000 1.159 402 D HN 0.658 nan 8.370 nan 0.000 0.490 403 G N 3.208 112.008 108.800 0.000 0.000 2.268 403 G HA2 -0.261 3.698 3.960 -0.000 0.000 0.240 403 G HA3 -0.261 3.698 3.960 -0.000 0.000 0.240 403 G C 0.261 175.172 174.900 0.018 0.000 1.010 403 G CA 0.105 45.208 45.100 0.006 0.000 0.618 403 G HN 0.596 nan 8.290 nan 0.000 0.516 404 Q N 1.837 121.649 119.800 0.021 0.000 2.352 404 Q HA 0.384 4.724 4.340 -0.000 0.000 0.260 404 Q C -2.007 174.035 176.000 0.070 0.000 0.976 404 Q CA -1.053 54.773 55.803 0.039 0.000 0.881 404 Q CB 1.217 29.973 28.738 0.030 0.000 1.235 404 Q HN 0.439 nan 8.270 nan 0.000 0.419 405 P HA 0.125 nan 4.420 nan 0.000 0.276 405 P C -0.705 176.698 177.300 0.172 0.000 1.244 405 P CA -0.510 62.659 63.100 0.115 0.000 0.801 405 P CB 0.469 32.228 31.700 0.098 0.000 1.006 406 F N 2.683 122.638 119.950 0.009 0.000 2.502 406 F HA 0.321 4.848 4.527 -0.000 0.000 0.371 406 F C 0.182 176.039 175.800 0.096 0.000 1.083 406 F CA 0.981 58.983 58.000 0.003 0.000 1.174 406 F CB -0.075 38.821 39.000 -0.174 0.000 1.096 406 F HN 0.417 nan 8.300 nan 0.000 0.545 407 T N 1.773 116.206 114.554 -0.202 0.000 2.731 407 T HA 0.296 4.646 4.350 -0.000 0.000 0.300 407 T C -0.355 174.337 174.700 -0.013 0.000 1.283 407 T CA -1.194 60.861 62.100 -0.074 0.000 1.005 407 T CB 1.312 70.217 68.868 0.062 0.000 1.420 407 T HN 0.476 nan 8.240 nan 0.000 0.503 408 N N 0.567 119.333 118.700 0.110 0.000 2.727 408 N HA -0.127 4.613 4.740 -0.000 0.000 0.249 408 N C -0.453 175.216 175.510 0.266 0.000 1.048 408 N CA 0.646 53.824 53.050 0.213 0.000 0.714 408 N CB -0.770 37.883 38.487 0.277 0.000 0.959 408 N HN 0.734 nan 8.380 nan 0.000 0.544 409 W N 1.023 122.338 121.300 0.025 0.000 2.190 409 W HA 0.326 4.986 4.660 -0.000 0.000 0.330 409 W C -0.416 176.235 176.519 0.220 0.000 1.299 409 W CA -0.104 57.284 57.345 0.072 0.000 1.215 409 W CB 0.321 29.796 29.460 0.025 0.000 1.147 409 W HN 0.218 nan 8.180 nan 0.000 0.563 410 Y N 5.015 124.831 120.300 -0.807 0.000 2.534 410 Y HA 0.408 4.958 4.550 -0.000 0.000 0.345 410 Y C -1.651 173.783 175.900 -0.776 0.000 1.031 410 Y CA -0.866 56.928 58.100 -0.510 0.000 1.022 410 Y CB 1.490 39.854 38.460 -0.160 0.000 1.292 410 Y HN 0.531 nan 8.280 nan 0.000 0.459 411 D N 1.839 121.308 120.400 -1.552 0.000 2.654 411 D HA 0.186 4.826 4.640 -0.000 0.000 0.231 411 D C -1.263 174.493 176.300 -0.907 0.000 1.239 411 D CA -0.790 52.596 54.000 -1.023 0.000 0.790 411 D CB 0.937 41.608 40.800 -0.215 0.000 1.480 411 D HN 0.468 nan 8.370 nan 0.000 0.442 412 N N 1.132 119.608 118.700 -0.373 0.000 2.276 412 N HA 0.202 4.942 4.740 -0.000 0.000 0.212 412 N C 1.349 176.892 175.510 0.054 0.000 1.127 412 N CA 0.235 53.274 53.050 -0.019 0.000 0.834 412 N CB 0.266 38.909 38.487 0.259 0.000 1.014 412 N HN 1.061 nan 8.380 nan 0.000 0.491 413 G N -1.418 107.388 108.800 0.011 0.000 2.184 413 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 413 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 413 G C 0.378 175.310 174.900 0.052 0.000 0.975 413 G CA 0.752 45.893 45.100 0.069 0.000 0.642 413 G HN 0.633 nan 8.290 nan 0.000 0.536 414 S N -0.943 114.774 115.700 0.027 0.000 3.906 414 S HA 0.437 4.907 4.470 -0.000 0.000 0.188 414 S C 0.967 175.487 174.600 -0.134 0.000 1.054 414 S CA 0.679 58.871 58.200 -0.013 0.000 1.503 414 S CB 0.177 63.458 63.200 0.135 0.000 1.144 414 S HN 0.297 nan 8.310 nan 0.000 0.833 415 N N 0.529 119.122 118.700 -0.179 0.000 2.291 415 N HA 0.340 5.079 4.740 -0.000 0.000 0.244 415 N C -1.193 174.172 175.510 -0.242 0.000 1.216 415 N CA -0.053 52.852 53.050 -0.242 0.000 0.879 415 N CB 1.072 39.390 38.487 -0.281 0.000 1.167 415 N HN 0.271 nan 8.380 nan 0.000 0.515 416 Q N 1.547 121.234 119.800 -0.188 0.000 2.394 416 Q HA 0.461 4.801 4.340 -0.000 0.000 0.259 416 Q C -0.811 175.057 176.000 -0.220 0.000 1.021 416 Q CA -0.673 55.006 55.803 -0.207 0.000 0.805 416 Q CB 1.971 30.689 28.738 -0.034 0.000 1.226 416 Q HN 0.115 nan 8.270 nan 0.000 0.476 417 V N -1.111 118.633 119.914 -0.284 0.000 3.160 417 V HA 1.059 5.179 4.120 -0.000 0.000 0.310 417 V C -1.308 174.584 176.094 -0.337 0.000 1.181 417 V CA -0.849 61.213 62.300 -0.397 0.000 1.047 417 V CB 2.010 33.544 31.823 -0.481 0.000 1.068 417 V HN 0.725 nan 8.190 nan 0.000 0.441 418 A N 1.505 124.030 122.820 -0.491 0.000 2.608 418 A HA 1.003 5.323 4.320 -0.000 0.000 0.292 418 A C -1.243 176.076 177.584 -0.442 0.000 1.066 418 A CA -0.118 51.615 52.037 -0.507 0.000 0.676 418 A CB 1.622 20.302 19.000 -0.534 0.000 1.277 418 A HN 2.464 nan 8.150 nan 0.000 0.413 419 F N -1.183 118.331 119.950 -0.726 0.000 2.741 419 F HA 0.859 5.386 4.527 -0.000 0.000 0.311 419 F C -0.066 175.393 175.800 -0.568 0.000 1.149 419 F CA -0.328 57.386 58.000 -0.477 0.000 0.930 419 F CB 0.778 39.658 39.000 -0.201 0.000 1.312 419 F HN 1.182 nan 8.300 nan 0.000 0.450 420 G N 0.411 109.287 108.800 0.126 0.000 2.714 420 G HA2 0.677 4.637 3.960 -0.000 0.000 0.292 420 G HA3 0.677 4.637 3.960 -0.000 0.000 0.292 420 G C -1.619 173.456 174.900 0.292 0.000 1.308 420 G CA -1.330 43.926 45.100 0.261 0.000 0.964 420 G HN 0.599 nan 8.290 nan 0.000 0.484 421 R N 0.509 121.155 120.500 0.244 0.000 2.363 421 R HA 0.485 4.825 4.340 -0.000 0.000 0.297 421 R C 0.873 177.237 176.300 0.107 0.000 1.208 421 R CA 0.097 56.311 56.100 0.190 0.000 1.121 421 R CB 0.387 30.794 30.300 0.179 0.000 1.124 421 R HN 1.284 nan 8.270 nan 0.000 0.561 422 G N 3.592 112.454 108.800 0.103 0.000 2.611 422 G HA2 -0.434 3.526 3.960 -0.000 0.000 0.301 422 G HA3 -0.434 3.526 3.960 -0.000 0.000 0.301 422 G C 0.303 175.243 174.900 0.066 0.000 1.233 422 G CA 0.673 45.816 45.100 0.072 0.000 0.993 422 G HN 0.660 nan 8.290 nan 0.000 0.553 423 N N 0.530 119.256 118.700 0.043 0.000 2.275 423 N HA 0.213 4.952 4.740 -0.000 0.000 0.236 423 N C 1.329 176.858 175.510 0.031 0.000 1.154 423 N CA 0.081 53.153 53.050 0.037 0.000 0.866 423 N CB 0.503 39.011 38.487 0.035 0.000 1.093 423 N HN 0.559 nan 8.380 nan 0.000 0.515 424 R N -0.616 119.891 120.500 0.012 0.000 2.344 424 R HA 0.360 4.700 4.340 -0.000 0.000 0.209 424 R C 0.328 176.586 176.300 -0.070 0.000 0.886 424 R CA 0.430 56.519 56.100 -0.019 0.000 1.040 424 R CB 1.137 31.400 30.300 -0.063 0.000 1.114 424 R HN 0.290 nan 8.270 nan 0.000 0.547 425 G N 0.424 109.193 108.800 -0.051 0.000 2.673 425 G HA2 0.511 4.471 3.960 -0.000 0.000 0.292 425 G HA3 0.511 4.471 3.960 -0.000 0.000 0.292 425 G C -2.072 172.963 174.900 0.225 0.000 1.450 425 G CA -0.434 44.634 45.100 -0.054 0.000 0.837 425 G HN -0.002 nan 8.290 nan 0.000 0.505 426 F N 0.426 120.443 119.950 0.113 0.000 2.596 426 F HA 0.792 5.319 4.527 -0.000 0.000 0.311 426 F C -1.151 174.578 175.800 -0.118 0.000 1.116 426 F CA -0.957 57.027 58.000 -0.028 0.000 0.957 426 F CB 2.078 41.018 39.000 -0.100 0.000 1.250 426 F HN 0.515 nan 8.300 nan 0.000 0.444 427 I N 5.445 125.443 120.570 -0.952 0.000 2.686 427 I HA 0.739 4.909 4.170 -0.000 0.000 0.295 427 I C -1.777 173.653 176.117 -1.146 0.000 1.114 427 I CA -0.735 60.006 61.300 -0.931 0.000 1.038 427 I CB 1.932 39.353 38.000 -0.965 0.000 1.238 427 I HN 0.368 nan 8.210 nan 0.000 0.420 428 V N 7.077 126.414 119.914 -0.962 0.000 2.588 428 V HA 0.531 4.651 4.120 -0.000 0.000 0.304 428 V C -1.029 174.618 176.094 -0.745 0.000 1.042 428 V CA -0.494 61.313 62.300 -0.821 0.000 0.877 428 V CB 1.743 33.077 31.823 -0.814 0.000 0.996 428 V HN 0.466 nan 8.190 nan 0.000 0.425 429 F N 2.578 122.277 119.950 -0.419 0.000 2.532 429 F HA 0.581 5.108 4.527 -0.000 0.000 0.321 429 F C 0.170 175.739 175.800 -0.385 0.000 1.089 429 F CA -0.669 57.159 58.000 -0.287 0.000 0.926 429 F CB 2.000 40.849 39.000 -0.252 0.000 1.168 429 F HN 0.454 nan 8.300 nan 0.000 0.459 430 N N 1.890 120.544 118.700 -0.078 0.000 2.623 430 N HA 0.179 4.919 4.740 -0.000 0.000 0.256 430 N C -0.922 174.511 175.510 -0.129 0.000 1.045 430 N CA -0.246 52.709 53.050 -0.158 0.000 0.863 430 N CB 0.393 38.822 38.487 -0.095 0.000 1.182 430 N HN 0.541 nan 8.380 nan 0.000 0.523 431 N N 1.809 120.393 118.700 -0.194 0.000 2.321 431 N HA 0.171 4.911 4.740 -0.000 0.000 0.242 431 N C -1.083 174.258 175.510 -0.281 0.000 1.141 431 N CA -0.173 52.757 53.050 -0.199 0.000 0.864 431 N CB 0.271 38.631 38.487 -0.213 0.000 1.100 431 N HN 0.480 nan 8.380 nan 0.000 0.510 432 D N -0.687 119.460 120.400 -0.422 0.000 2.332 432 D HA 0.167 4.807 4.640 -0.000 0.000 0.252 432 D C -0.061 175.917 176.300 -0.537 0.000 1.050 432 D CA -0.250 53.317 54.000 -0.722 0.000 0.970 432 D CB 1.064 40.972 40.800 -1.488 0.000 1.141 432 D HN 0.058 nan 8.370 nan 0.000 0.485 433 D N 0.689 120.843 120.400 -0.410 0.000 2.344 433 D HA 0.111 4.750 4.640 -0.000 0.000 0.242 433 D C -0.093 176.348 176.300 0.235 0.000 1.159 433 D CA 0.072 54.077 54.000 0.009 0.000 0.859 433 D CB -0.074 40.828 40.800 0.170 0.000 0.925 433 D HN 0.318 nan 8.370 nan 0.000 0.510 434 W N -1.304 120.034 121.300 0.062 0.000 3.062 434 W HA 0.543 5.203 4.660 -0.001 0.000 0.336 434 W C -0.382 176.196 176.519 0.099 0.000 1.224 434 W CA -1.058 56.329 57.345 0.070 0.000 1.159 434 W CB 0.097 29.596 29.460 0.065 0.000 1.454 434 W HN -0.440 nan 8.180 nan 0.000 0.569 435 S N 1.292 117.192 115.700 0.333 0.000 2.579 435 S HA 0.313 4.783 4.470 -0.000 0.000 0.275 435 S C -1.157 173.628 174.600 0.310 0.000 1.345 435 S CA -0.260 58.084 58.200 0.239 0.000 1.031 435 S CB 0.239 63.552 63.200 0.189 0.000 0.892 435 S HN 0.414 nan 8.310 nan 0.000 0.529 436 F N 2.390 122.396 119.950 0.094 0.000 2.403 436 F HA 0.521 5.048 4.527 -0.000 0.000 0.355 436 F C -0.130 175.709 175.800 0.063 0.000 1.119 436 F CA -0.310 57.742 58.000 0.087 0.000 1.007 436 F CB 1.035 40.051 39.000 0.027 0.000 1.194 436 F HN 0.413 nan 8.300 nan 0.000 0.443 437 S N 7.693 123.071 115.700 -0.538 0.000 2.774 437 S HA 0.793 5.263 4.470 -0.000 0.000 0.297 437 S C -1.678 172.545 174.600 -0.629 0.000 1.143 437 S CA -0.455 57.471 58.200 -0.457 0.000 1.090 437 S CB 0.557 63.730 63.200 -0.045 0.000 1.019 437 S HN 0.789 nan 8.310 nan 0.000 0.482 438 L N 3.574 124.238 121.223 -0.931 0.000 2.653 438 L HA 0.592 4.932 4.340 -0.000 0.000 0.257 438 L C -0.819 175.789 176.870 -0.437 0.000 0.969 438 L CA -0.088 54.399 54.840 -0.587 0.000 0.869 438 L CB 2.176 43.839 42.059 -0.659 0.000 1.439 438 L HN 0.484 nan 8.230 nan 0.000 0.414 439 T N 3.821 118.303 114.554 -0.121 0.000 2.743 439 T HA 0.698 5.048 4.350 -0.000 0.000 0.293 439 T C -0.746 173.944 174.700 -0.016 0.000 0.945 439 T CA -0.104 62.000 62.100 0.007 0.000 1.030 439 T CB 0.426 69.347 68.868 0.088 0.000 0.912 439 T HN 0.268 nan 8.240 nan 0.000 0.483 440 L N 2.801 124.059 121.223 0.059 0.000 2.323 440 L HA 0.556 4.895 4.340 -0.000 0.000 0.265 440 L C 0.013 176.847 176.870 -0.060 0.000 1.012 440 L CA -1.062 53.780 54.840 0.003 0.000 0.820 440 L CB 1.583 43.674 42.059 0.054 0.000 1.334 440 L HN 0.436 nan 8.230 nan 0.000 0.427 441 Q N 0.013 119.764 119.800 -0.082 0.000 2.307 441 Q HA 0.269 4.609 4.340 -0.000 0.000 0.259 441 Q C 0.690 176.442 176.000 -0.413 0.000 0.998 441 Q CA 0.571 56.288 55.803 -0.144 0.000 0.923 441 Q CB 1.051 29.772 28.738 -0.029 0.000 1.196 441 Q HN 0.763 nan 8.270 nan 0.000 0.416 442 T N 0.324 114.527 114.554 -0.585 0.000 3.037 442 T HA 0.238 4.588 4.350 -0.000 0.000 0.251 442 T C 1.294 175.771 174.700 -0.370 0.000 1.079 442 T CA 0.409 61.884 62.100 -1.043 0.000 1.067 442 T CB -0.127 68.236 68.868 -0.842 0.000 0.948 442 T HN 1.019 nan 8.240 nan 0.000 0.496 443 G N 1.124 109.815 108.800 -0.182 0.000 2.155 443 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.257 443 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.257 443 G C -0.224 174.650 174.900 -0.044 0.000 0.983 443 G CA 0.346 45.414 45.100 -0.054 0.000 0.676 443 G HN 0.565 nan 8.290 nan 0.000 0.528 444 L N 1.375 122.538 121.223 -0.100 0.000 2.344 444 L HA 0.639 4.979 4.340 -0.000 0.000 0.272 444 L C -1.491 175.389 176.870 0.017 0.000 1.035 444 L CA -2.654 52.148 54.840 -0.063 0.000 0.807 444 L CB 1.043 42.957 42.059 -0.242 0.000 1.237 444 L HN -0.071 nan 8.230 nan 0.000 0.442 445 P HA 0.159 nan 4.420 nan 0.000 0.271 445 P C -0.855 176.549 177.300 0.174 0.000 1.218 445 P CA -0.519 62.650 63.100 0.115 0.000 0.780 445 P CB 0.496 32.261 31.700 0.108 0.000 0.901 446 A N 1.794 124.677 122.820 0.106 0.000 2.547 446 A HA 0.460 4.780 4.320 -0.000 0.000 0.233 446 A C 0.894 178.551 177.584 0.121 0.000 1.067 446 A CA 1.210 53.312 52.037 0.109 0.000 0.763 446 A CB -1.099 17.934 19.000 0.055 0.000 1.007 446 A HN 0.934 nan 8.150 nan 0.000 0.506 447 G N -0.513 108.367 108.800 0.133 0.000 2.369 447 G HA2 0.433 4.393 3.960 -0.000 0.000 0.293 447 G HA3 0.433 4.393 3.960 -0.000 0.000 0.293 447 G C -0.722 174.208 174.900 0.051 0.000 1.301 447 G CA -0.199 44.912 45.100 0.018 0.000 0.913 447 G HN 1.087 nan 8.290 nan 0.000 0.540 448 T N 1.087 115.571 114.554 -0.116 0.000 2.758 448 T HA 0.637 4.987 4.350 -0.000 0.000 0.285 448 T C -1.188 173.346 174.700 -0.278 0.000 0.981 448 T CA 0.084 62.105 62.100 -0.133 0.000 0.965 448 T CB 0.658 69.482 68.868 -0.074 0.000 0.927 448 T HN 0.398 nan 8.240 nan 0.000 0.448 449 Y N 0.689 120.851 120.300 -0.230 0.000 2.429 449 Y HA 0.429 4.979 4.550 -0.000 0.000 0.342 449 Y C 0.476 176.252 175.900 -0.207 0.000 1.004 449 Y CA -1.221 56.770 58.100 -0.182 0.000 1.075 449 Y CB 0.977 39.358 38.460 -0.131 0.000 1.214 449 Y HN 0.571 nan 8.280 nan 0.000 0.455 450 c N 2.319 120.899 118.600 -0.034 0.000 2.514 450 c HA 0.163 4.733 4.570 -0.000 0.000 0.392 450 c C 0.355 174.412 174.090 -0.055 0.000 1.294 450 c CA -0.748 55.538 56.329 -0.071 0.000 1.957 450 c CB -0.465 41.997 42.510 -0.080 0.000 2.541 450 c HN 0.767 nan 8.230 nan 0.000 0.569 451 D N 1.733 122.096 120.400 -0.060 0.000 2.371 451 D HA 0.139 4.779 4.640 -0.000 0.000 0.256 451 D C 0.986 177.242 176.300 -0.072 0.000 1.193 451 D CA -0.250 53.715 54.000 -0.060 0.000 0.881 451 D CB 0.967 41.724 40.800 -0.072 0.000 1.143 451 D HN 0.447 nan 8.370 nan 0.000 0.473 452 V N 2.565 122.444 119.914 -0.058 0.000 3.573 452 V HA 0.025 4.145 4.120 -0.000 0.000 0.270 452 V C 1.402 177.455 176.094 -0.067 0.000 1.221 452 V CA 0.258 62.545 62.300 -0.022 0.000 1.163 452 V CB -0.629 31.244 31.823 0.083 0.000 0.847 452 V HN 0.495 nan 8.190 nan 0.000 0.468 453 I N 2.127 122.585 120.570 -0.187 0.000 2.385 453 I HA -0.006 4.164 4.170 -0.000 0.000 0.244 453 I C 2.764 178.757 176.117 -0.207 0.000 1.089 453 I CA 1.928 63.041 61.300 -0.311 0.000 1.410 453 I CB -1.161 36.389 38.000 -0.749 0.000 1.117 453 I HN 0.575 nan 8.210 nan 0.000 0.429 454 S N -0.169 115.423 115.700 -0.180 0.000 2.489 454 S HA 0.237 4.707 4.470 -0.000 0.000 0.228 454 S C 1.069 175.629 174.600 -0.067 0.000 0.995 454 S CA 0.511 58.643 58.200 -0.113 0.000 0.934 454 S CB -0.118 63.023 63.200 -0.097 0.000 0.771 454 S HN 0.449 nan 8.310 nan 0.000 0.522 455 G N -0.366 108.398 108.800 -0.059 0.000 2.772 455 G HA2 0.554 4.514 3.960 -0.000 0.000 0.284 455 G HA3 0.554 4.514 3.960 -0.000 0.000 0.284 455 G C -2.176 172.715 174.900 -0.016 0.000 1.217 455 G CA -0.567 44.514 45.100 -0.031 0.000 0.831 455 G HN 0.229 nan 8.290 nan 0.000 0.523 456 D N -0.488 119.906 120.400 -0.010 0.000 2.583 456 D HA 0.300 4.940 4.640 -0.000 0.000 0.248 456 D C -1.101 175.190 176.300 -0.014 0.000 1.209 456 D CA -0.574 53.427 54.000 0.001 0.000 0.848 456 D CB 2.742 43.554 40.800 0.020 0.000 1.431 456 D HN 0.244 nan 8.370 nan 0.000 0.436 457 K N 1.855 122.247 120.400 -0.013 0.000 2.268 457 K HA 0.435 4.755 4.320 -0.000 0.000 0.276 457 K C -0.984 175.609 176.600 -0.012 0.000 1.080 457 K CA -0.283 55.989 56.287 -0.026 0.000 0.910 457 K CB 0.158 32.634 32.500 -0.040 0.000 1.163 457 K HN 0.395 nan 8.250 nan 0.000 0.465 458 I N 4.950 125.512 120.570 -0.013 0.000 2.447 458 I HA 0.097 4.266 4.170 -0.000 0.000 0.287 458 I C 0.004 176.114 176.117 -0.011 0.000 1.023 458 I CA -0.787 60.510 61.300 -0.006 0.000 1.083 458 I CB 1.555 39.556 38.000 0.000 0.000 1.245 458 I HN 0.744 nan 8.210 nan 0.000 0.434 459 N N 4.280 122.974 118.700 -0.010 0.000 2.666 459 N HA -0.240 4.500 4.740 -0.000 0.000 0.274 459 N C 0.697 176.197 175.510 -0.018 0.000 1.043 459 N CA 0.601 53.644 53.050 -0.012 0.000 0.782 459 N CB -1.278 37.205 38.487 -0.008 0.000 0.912 459 N HN 1.196 nan 8.380 nan 0.000 0.556 460 G N -0.288 108.497 108.800 -0.025 0.000 2.233 460 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.270 460 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.270 460 G C -0.217 174.662 174.900 -0.033 0.000 1.011 460 G CA 0.684 45.764 45.100 -0.033 0.000 0.762 460 G HN 0.830 nan 8.290 nan 0.000 0.511 461 N N -1.467 117.214 118.700 -0.031 0.000 2.396 461 N HA 0.457 5.196 4.740 -0.000 0.000 0.275 461 N C -0.563 174.927 175.510 -0.033 0.000 1.218 461 N CA -0.151 52.882 53.050 -0.029 0.000 0.812 461 N CB 1.686 40.162 38.487 -0.018 0.000 1.592 461 N HN 0.120 nan 8.380 nan 0.000 0.480 462 c N 0.601 119.178 118.600 -0.038 0.000 2.350 462 c HA 0.385 4.955 4.570 -0.000 0.000 0.348 462 c C 2.074 176.147 174.090 -0.028 0.000 1.260 462 c CA -0.503 55.801 56.329 -0.042 0.000 1.966 462 c CB 0.348 42.821 42.510 -0.062 0.000 2.380 462 c HN 0.825 nan 8.230 nan 0.000 0.535 463 T N -0.442 114.097 114.554 -0.024 0.000 3.081 463 T HA 0.269 4.619 4.350 -0.000 0.000 0.255 463 T C 0.883 175.571 174.700 -0.020 0.000 1.113 463 T CA 0.724 62.814 62.100 -0.016 0.000 1.082 463 T CB 0.147 69.009 68.868 -0.009 0.000 0.939 463 T HN 0.843 nan 8.240 nan 0.000 0.506 464 G N 0.787 109.568 108.800 -0.030 0.000 3.264 464 G HA2 0.656 4.615 3.960 -0.000 0.000 0.168 464 G HA3 0.656 4.615 3.960 -0.000 0.000 0.168 464 G C -0.634 174.242 174.900 -0.040 0.000 1.145 464 G CA -1.238 43.841 45.100 -0.035 0.000 0.855 464 G HN 0.395 nan 8.290 nan 0.000 0.629 465 I N 0.865 121.407 120.570 -0.048 0.000 2.813 465 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 465 I C 0.077 176.141 176.117 -0.088 0.000 1.196 465 I CA 0.615 61.884 61.300 -0.051 0.000 1.421 465 I CB 0.781 38.756 38.000 -0.042 0.000 1.365 465 I HN 0.172 nan 8.210 nan 0.000 0.591 466 K N 6.104 126.428 120.400 -0.127 0.000 2.270 466 K HA 0.593 4.912 4.320 -0.000 0.000 0.255 466 K C -1.155 175.177 176.600 -0.446 0.000 0.936 466 K CA -0.680 55.440 56.287 -0.278 0.000 0.809 466 K CB 2.021 34.340 32.500 -0.303 0.000 1.131 466 K HN 0.311 nan 8.250 nan 0.000 0.427 467 I N 3.365 123.640 120.570 -0.491 0.000 2.474 467 I HA 0.277 4.447 4.170 -0.000 0.000 0.294 467 I C -0.852 174.926 176.117 -0.564 0.000 1.005 467 I CA -0.864 60.141 61.300 -0.491 0.000 1.113 467 I CB 1.154 38.954 38.000 -0.333 0.000 1.289 467 I HN 0.546 nan 8.210 nan 0.000 0.436 468 Y N 4.707 124.942 120.300 -0.108 0.000 2.356 468 Y HA 0.450 4.999 4.550 -0.000 0.000 0.334 468 Y C 0.223 176.084 175.900 -0.066 0.000 0.958 468 Y CA -0.916 57.157 58.100 -0.045 0.000 1.196 468 Y CB 1.529 39.955 38.460 -0.056 0.000 1.137 468 Y HN 0.171 nan 8.280 nan 0.000 0.485 469 V N 3.976 123.961 119.914 0.119 0.000 2.407 469 V HA 0.315 4.435 4.120 -0.000 0.000 0.278 469 V C 0.346 176.481 176.094 0.068 0.000 1.037 469 V CA -0.704 61.625 62.300 0.049 0.000 0.900 469 V CB 1.162 33.015 31.823 0.051 0.000 0.983 469 V HN 0.916 nan 8.190 nan 0.000 0.459 470 S N 2.680 118.395 115.700 0.025 0.000 2.661 470 S HA 0.174 4.644 4.470 -0.000 0.000 0.265 470 S C 0.798 175.408 174.600 0.017 0.000 1.225 470 S CA -0.362 57.850 58.200 0.020 0.000 0.986 470 S CB 0.714 63.915 63.200 0.002 0.000 1.008 470 S HN 0.654 nan 8.310 nan 0.000 0.565 471 D N 0.845 121.252 120.400 0.012 0.000 2.218 471 D HA -0.065 4.575 4.640 -0.000 0.000 0.204 471 D C 1.167 177.471 176.300 0.007 0.000 0.976 471 D CA 1.313 55.319 54.000 0.011 0.000 0.853 471 D CB -0.315 40.489 40.800 0.006 0.000 0.939 471 D HN 0.778 nan 8.370 nan 0.000 0.481 472 D N -1.347 119.053 120.400 0.001 0.000 2.328 472 D HA 0.097 4.737 4.640 -0.000 0.000 0.221 472 D C 1.413 177.705 176.300 -0.014 0.000 1.072 472 D CA 0.640 54.638 54.000 -0.003 0.000 0.850 472 D CB 0.462 41.261 40.800 -0.002 0.000 0.922 472 D HN 0.218 nan 8.370 nan 0.000 0.516 473 G N 1.250 110.038 108.800 -0.021 0.000 2.205 473 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.261 473 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.261 473 G C 0.307 175.150 174.900 -0.093 0.000 0.980 473 G CA 0.075 45.143 45.100 -0.053 0.000 0.632 473 G HN 0.369 nan 8.290 nan 0.000 0.533 474 K N 0.690 121.054 120.400 -0.061 0.000 2.202 474 K HA 0.660 4.980 4.320 -0.000 0.000 0.264 474 K C 0.202 176.764 176.600 -0.063 0.000 1.010 474 K CA 0.438 56.688 56.287 -0.062 0.000 0.940 474 K CB 1.383 33.868 32.500 -0.025 0.000 0.983 474 K HN 0.850 nan 8.250 nan 0.000 0.475 475 A N 1.683 124.465 122.820 -0.063 0.000 2.574 475 A HA 0.271 4.591 4.320 -0.000 0.000 0.297 475 A C -1.831 175.653 177.584 -0.166 0.000 1.062 475 A CA -0.729 51.221 52.037 -0.146 0.000 0.686 475 A CB 0.964 19.780 19.000 -0.307 0.000 1.285 475 A HN 0.843 nan 8.150 nan 0.000 0.403 476 H N 0.430 119.329 119.070 -0.284 0.000 2.580 476 H HA 0.670 5.226 4.556 -0.000 0.000 0.322 476 H C -1.490 173.602 175.328 -0.393 0.000 1.082 476 H CA 0.218 56.145 56.048 -0.202 0.000 1.383 476 H CB 0.362 30.055 29.762 -0.114 0.000 1.450 476 H HN 0.420 nan 8.280 nan 0.000 0.505 477 F N 2.500 122.202 119.950 -0.413 0.000 2.507 477 F HA 0.342 4.869 4.527 -0.000 0.000 0.325 477 F C -0.086 175.583 175.800 -0.218 0.000 1.116 477 F CA -0.664 57.255 58.000 -0.134 0.000 0.930 477 F CB 2.096 41.170 39.000 0.124 0.000 1.146 477 F HN 0.420 nan 8.300 nan 0.000 0.447 478 S N 4.898 120.690 115.700 0.153 0.000 2.756 478 S HA 0.763 5.233 4.470 -0.000 0.000 0.303 478 S C -1.103 173.615 174.600 0.196 0.000 1.135 478 S CA -0.371 57.913 58.200 0.141 0.000 1.066 478 S CB 0.174 63.465 63.200 0.151 0.000 1.008 478 S HN 0.520 nan 8.310 nan 0.000 0.482 479 I N 3.701 124.423 120.570 0.254 0.000 2.468 479 I HA 0.322 4.492 4.170 -0.000 0.000 0.284 479 I C 0.176 176.389 176.117 0.159 0.000 1.038 479 I CA -0.571 60.841 61.300 0.186 0.000 1.083 479 I CB 2.016 40.116 38.000 0.167 0.000 1.223 479 I HN 0.567 nan 8.210 nan 0.000 0.443 480 S N 4.464 120.230 115.700 0.110 0.000 2.580 480 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 480 S C 1.346 175.989 174.600 0.072 0.000 1.329 480 S CA -0.589 57.669 58.200 0.097 0.000 1.036 480 S CB 0.631 63.878 63.200 0.079 0.000 0.919 480 S HN 0.757 nan 8.310 nan 0.000 0.515 481 N N 2.912 121.650 118.700 0.064 0.000 2.571 481 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 481 N C 0.669 176.201 175.510 0.037 0.000 1.154 481 N CA 0.407 53.475 53.050 0.029 0.000 0.907 481 N CB -0.177 38.318 38.487 0.012 0.000 0.977 481 N HN 0.381 nan 8.380 nan 0.000 0.449 482 S N -0.359 115.370 115.700 0.048 0.000 2.540 482 S HA 0.334 4.804 4.470 -0.000 0.000 0.218 482 S C 0.808 175.430 174.600 0.038 0.000 0.977 482 S CA -0.408 57.818 58.200 0.042 0.000 0.918 482 S CB 0.221 63.448 63.200 0.045 0.000 0.806 482 S HN 0.616 nan 8.310 nan 0.000 0.496 483 A N 1.679 124.523 122.820 0.040 0.000 2.483 483 A HA 0.222 4.541 4.320 -0.000 0.000 0.238 483 A C 1.468 179.070 177.584 0.030 0.000 1.070 483 A CA -0.125 51.930 52.037 0.031 0.000 0.770 483 A CB 0.132 19.151 19.000 0.031 0.000 1.008 483 A HN 0.228 nan 8.150 nan 0.000 0.497 484 E N 1.123 121.332 120.200 0.016 0.000 2.070 484 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 484 E C -0.270 176.353 176.600 0.037 0.000 1.004 484 E CA 2.108 58.517 56.400 0.014 0.000 0.805 484 E CB 0.036 29.731 29.700 -0.008 0.000 0.744 484 E HN 0.650 nan 8.360 nan 0.000 0.451 485 D N 0.460 120.875 120.400 0.026 0.000 2.440 485 D HA 0.142 4.782 4.640 -0.000 0.000 0.252 485 D C -2.263 174.086 176.300 0.081 0.000 1.180 485 D CA -1.471 52.574 54.000 0.075 0.000 0.894 485 D CB 1.672 42.435 40.800 -0.062 0.000 1.111 485 D HN 0.138 nan 8.370 nan 0.000 0.544 486 P HA 0.069 nan 4.420 nan 0.000 0.269 486 P C -0.710 176.709 177.300 0.199 0.000 1.601 486 P CA -0.078 63.104 63.100 0.137 0.000 0.831 486 P CB -0.857 30.898 31.700 0.092 0.000 1.688 487 F N -1.582 118.286 119.950 -0.137 0.000 2.641 487 F HA 0.644 5.171 4.527 -0.000 0.000 0.308 487 F C -1.612 174.005 175.800 -0.304 0.000 1.105 487 F CA -2.121 55.680 58.000 -0.331 0.000 0.964 487 F CB 0.797 39.477 39.000 -0.534 0.000 1.294 487 F HN -0.327 nan 8.300 nan 0.000 0.442 488 I N 2.773 123.125 120.570 -0.363 0.000 2.509 488 I HA 0.810 4.979 4.170 -0.000 0.000 0.293 488 I C -0.683 175.247 176.117 -0.311 0.000 1.020 488 I CA -1.127 59.992 61.300 -0.302 0.000 1.088 488 I CB 2.045 40.030 38.000 -0.026 0.000 1.267 488 I HN 1.008 nan 8.210 nan 0.000 0.430 489 A N 7.615 130.298 122.820 -0.229 0.000 2.398 489 A HA 0.902 5.222 4.320 -0.000 0.000 0.301 489 A C -0.894 176.737 177.584 0.078 0.000 1.041 489 A CA -0.477 51.486 52.037 -0.122 0.000 0.711 489 A CB 1.290 20.145 19.000 -0.240 0.000 1.240 489 A HN 0.716 nan 8.150 nan 0.000 0.420 490 I N 0.108 120.804 120.570 0.211 0.000 2.686 490 I HA 0.908 5.078 4.170 -0.000 0.000 0.295 490 I C -0.702 175.531 176.117 0.193 0.000 1.114 490 I CA -0.904 60.474 61.300 0.130 0.000 1.038 490 I CB 2.336 40.365 38.000 0.049 0.000 1.238 490 I HN 0.935 nan 8.210 nan 0.000 0.420 491 H N 3.063 122.227 119.070 0.156 0.000 2.943 491 H HA 0.771 5.327 4.556 -0.000 0.000 0.323 491 H C 0.561 175.986 175.328 0.162 0.000 1.296 491 H CA -0.391 55.662 56.048 0.007 0.000 1.155 491 H CB 1.178 30.788 29.762 -0.253 0.000 1.882 491 H HN 0.638 nan 8.280 nan 0.000 0.553 492 A N 0.076 123.072 122.820 0.295 0.000 1.948 492 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 492 A C 1.580 179.284 177.584 0.200 0.000 1.177 492 A CA 2.003 54.186 52.037 0.243 0.000 0.636 492 A CB -0.692 18.381 19.000 0.120 0.000 0.815 492 A HN 0.715 nan 8.150 nan 0.000 0.449 493 E N -0.173 120.249 120.200 0.370 0.000 2.489 493 E HA -0.005 4.345 4.350 -0.000 0.000 0.193 493 E C 1.623 178.261 176.600 0.064 0.000 1.057 493 E CA 0.851 57.388 56.400 0.229 0.000 0.866 493 E CB -0.047 29.812 29.700 0.266 0.000 0.916 493 E HN 0.725 nan 8.360 nan 0.000 0.500 494 S N -0.163 115.428 115.700 -0.183 0.000 2.557 494 S HA 0.108 4.578 4.470 -0.000 0.000 0.223 494 S C 0.764 175.271 174.600 -0.156 0.000 0.969 494 S CA -0.465 57.581 58.200 -0.258 0.000 0.927 494 S CB 0.115 63.009 63.200 -0.510 0.000 0.806 494 S HN -0.063 nan 8.310 nan 0.000 0.489 495 K N 1.359 121.635 120.400 -0.207 0.000 2.298 495 K HA 0.388 4.707 4.320 -0.000 0.000 0.280 495 K C -0.137 176.277 176.600 -0.309 0.000 1.032 495 K CA -0.679 55.299 56.287 -0.515 0.000 0.958 495 K CB 0.305 32.389 32.500 -0.693 0.000 0.978 495 K HN 0.114 nan 8.250 nan 0.000 0.472 496 L N 0.000 121.041 121.223 -0.303 0.000 2.949 496 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 496 L CA 0.000 54.734 54.840 -0.177 0.000 0.813 496 L CB 0.000 41.976 42.059 -0.138 0.000 0.961 496 L HN 0.000 nan 8.230 nan 0.000 0.502